A0A5K4F837_SCHMA Loading...

Cadherin AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F837, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,854 aa.

						>A0A5K4F837_SCHMA|A0A5K4F837
MLVHLEFYFICQIMIFMSNVWILKMIQANHITMVTNNSTNNSSTNHGSNNNNMYDLLLNSTENSLNKGTHIDLINRLPRYTQISSSSSSSSQTSSSSSAVTTFLGSEFIQLSYHCIVYDETPAQYNLLDETNGNTCQLLSPSSLSSSSSLLNTQMIKTKHFEKLFINVNIITTANPMAKYFNINLSNYTLYTSQHIDREELCNQAMIMTITSSIPDSLRTCCINRRKECIFPLNILVQTRIGRDDDAATTNTVSSSSDSSTISKYLFDKRINHESSFTSDTATSDISSTGISSSSRSKFFTIHIKLIDINDNAPKFPNPQYTIHVSEGIHVGSRLPLPLAEDLDCIDYNIIRYQLLTQGDDTFELIQLSNELITNLPSLVPSTSINNQPIYSSNFNSLSYETQMEHTYTYHQQPTVNQVLPYQNRPEQLYLKVMKQLDWETKRQYHFILNAEDSGSPAFTGEMSLMIIVTDENDNHPIFRNKSLIINVPENSPEGLHLIQLIADDPDEGKSGQIIYSLVNNEINIQTPTSSSSSSSSSSSSSLSSSLSNNDHSNQRPLHTTIYNSSTLGLNTMNTNSNSNDNSNEMRKGLFDIDPKTGWLILNDHLDYEKLKHHLIRVIARDQSDHPGYDEAIVSIYVTDINDVAPQITVESVNRISSSQSIHDHHHHQYKNNNVLYVYINETPGRNTNNYQLDNEHLNEYSILTKMTQLLAFIVVNDPDTGPGGTFQCYLEPNTIDSNNNKALRSNMYTSSLIEEHNHYLSLNPTTITSTSTTSTTSSNTSSTTANGQSSIVGMFQLNSISNLNYELITIYGFDYEMSKTESVKIVCSDNGKPSLTSSHVIKVIVQDLNDNPPVFTKDYYNFFVQENSPINTLVNKVLATDADSEKNAEIKYQISQDGKEYFSINQLDGSIYTKMIFDRELKQNYRFQVYANDNGQPISLTTTTTIEVTIIDVNDNTPQFVGLDRDNCYHFRIAENQPPNTYVGILLGTDNDIDENAQLHFRLLGTTSNFRLNSSTGELTTLQLLDREKQSNYELIVLLIDHGKPSRSATAKVHIHVTDINDHDPIVVFPVNGKGNISVSYREPPGEIVARIEARDPDEGHNSLLHFNLYSGNEASVFRLGSTSAELIIDRELTLQDIGLYPLIIHIQDAGIPSRTTEVKLLVKITDSPPRHIYSNRFTNLYHSTKNDLNHHPQLKDQPYYHQLINNNNNNEKLIKINEINNQGENSITTGSILIAIVALSCAIILVLLGIIIYVCERRGFQNFCSNHHITNTNTTINSNIHNNENNHDDSRLNNPMQYLLHNHHSFNNNNNIKLIDKKFHWKNILNSEYSNNNNNITTLYPNKSILIDNHNHNDKLFNYYYHSNNSIQFNHEKNQYIDPSNHLPIKSNILIENNQLNDHDHENNNQYIDPSNHLPFKSNILIENNPFNHDHEKNQYIDPSNNIPFQSILIENNRLNHDRDHDNTKEYTTLPLNEKQYWILKNDEYTLPNQYEQKILSFIHNNHQEKLSRQQQQQQQQHDNDQQNLNMKSTISMNTSTIDFITNTTISSNSNNNNITMVTATDNMMNSSMISNNNKMNPIYFTQSLKLKKSNTPIVNNQNHNISNDPLNNHYNERNPLKTSRSWEYIVIPHNNNQSLSPLSSIKGKHNKPQEQQQEASWISNNQTIPSNKSTTILSPQESTIHHIGNCLSDNQSFTTICTTTTTTTATTTTTSTTATVTSSKYTDYTTIEQNSNHLKTFNKQYHTNLSVLYLNNSKNIIDSNQLNHKQQINNQSFIPINLIELGDQQLYDMKSYPCDHSIMNDSRYPSVSNHSNNSNNNTFIYMINDQQYSQSHHHHHHQNNDNNSPVSTDFV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	59.8	Low	191 Å²	191	126.3 Å²	126.3	94%	0.941	62%	0.618	S	S	*	*				0	-93.3	0	-74.9	-53.3	-176	0	0	110.9	V3 H4 L5	M1-V3 PolarHBondContact O-N 3.39Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-H4 WeakPolarHBondContact O-CA 3.44Å; M1-H4 WeakPolarHBondContact O-CB 3.41Å; M1-H4 PolarHBondContact O-N 3.17Å; M1-L5 PolarHBondContact O-N 3.03Å
2	L	41.8	Very low	60.6	Low	134 Å²	134	123.1 Å²	123.1	70%	0.702	60%	0.601	S	S	*	*	H	α-helix	trans	-42.4	-55.7	-171.7	-100.7	71.6	0	0	0	115.1	H4 L5 E6	L2-H4 PolarHBondContact O-N 3.11Å; L2-H4 VanDerWaalsContact O-N 3.12Å; L2-L5 CarbonylContact O-C 3.54Å; L2-L5 WeakPolarHBondContact O-CA 3.27Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 2.71Å; L2-E6 PolarHBondContact O-N 3.49Å
3	V	55.9	Low	61.3	Low	100 Å²	100	120.4 Å²	120.4	61%	0.606	59%	0.589	S	S	*	*	H	α-helix	trans	-57.9	-30	-178.9	-176.1	0	0	0	0	113.6	M1 F7	M1-V3 PolarHBondContact O-N 3.39Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-F7 PolarHBondContact O-N 2.77Å; V3-F7 VanDerWaalsContact O-N 3.12Å
4	H	55.7	Low	62	Low	153 Å²	153	121 Å²	121	71%	0.708	59%	0.592	S	S	*	*	H	α-helix	trans	-78.6	-31.5	173.7	-101.2	-70.4	0	0	0	112.7	M1 L2 Y8	M1-H4 WeakPolarHBondContact O-CA 3.44Å; M1-H4 WeakPolarHBondContact O-CB 3.41Å; M1-H4 PolarHBondContact O-N 3.17Å; L2-H4 PolarHBondContact O-N 3.11Å; L2-H4 VanDerWaalsContact O-N 3.12Å; H4-Y8 WeakPolarHBondContact O-CB 3.3Å; H4-Y8 PolarHBondContact O-N 3.08Å
5	L	54	Low	62.6	Low	112 Å²	112	119.1 Å²	119.1	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-67.3	-44.2	170.9	-113.8	75.5	0	0	0	110.8	M1 L2 Y8 F9	M1-L5 PolarHBondContact O-N 3.03Å; L2-L5 CarbonylContact O-C 3.54Å; L2-L5 WeakPolarHBondContact O-CA 3.27Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 2.71Å; L5-Y8 PolarHBondContact O-N 2.88Å; L5-F9 WeakPolarHBondContact O-CB 3.45Å; L5-F9 PolarHBondContact O-N 2.9Å
6	E	64.9	Low	62.4	Low	111 Å²	111	120.6 Å²	120.6	52%	0.519	59%	0.587	S	S	.	*	H	α-helix	trans	-61.6	-46.1	177.1	-70.1	175.6	152.3	0	0	111.4	L2 Y8 F9 I10	L2-E6 PolarHBondContact O-N 3.49Å; E6-Y8 VanDerWaalsContact C-N 3.34Å; E6-Y8 PolarHBondContact O-N 3.26Å; E6-F9 PolarHBondContact O-N 3.05Å; E6-I10 WeakPolarHBondContact O-CB 3.39Å; E6-I10 VanDerWaalsContact O-CG1 3.26Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 2.69Å
7	F	69.4	Low	62.4	Low	140 Å²	140	120.7 Å²	120.7	61%	0.614	59%	0.588	S	S	*	*	H	α-helix	trans	-61.1	-40.6	174	-108.4	-86.8	0	0	0	112.7	V3 I10 C11	V3-F7 PolarHBondContact O-N 2.77Å; V3-F7 VanDerWaalsContact O-N 3.12Å; F7-I10 PolarHBondContact O-N 2.88Å; F7-C11 WeakPolarHBondContact O-CB 3.31Å; F7-C11 PolarHBondContact O-N 2.8Å; F7-C11 PolarHBondContact O-SG 2.92Å; F7-C11 VanDerWaalsContact O-SG 3.39Å
8	Y	70.3	Confident	62.5	Low	148 Å²	148	117.9 Å²	117.9	58%	0.58	58%	0.583	S	S	*	*	H	α-helix	trans	-64.2	-43.8	176.5	-172.7	-95.9	0	0	0	111.8	H4 L5 E6 C11 Q12	H4-Y8 WeakPolarHBondContact O-CB 3.3Å; H4-Y8 PolarHBondContact O-N 3.08Å; L5-Y8 PolarHBondContact O-N 2.88Å; E6-Y8 VanDerWaalsContact C-N 3.34Å; E6-Y8 PolarHBondContact O-N 3.26Å; Y8-C11 PolarHBondContact O-N 3.34Å; Y8-Q12 HydrophobicContact CD1-CG 4.2Å; Y8-Q12 HydrophobicContact CE1-CG 3.86Å; Y8-Q12 WeakPolarHBondContact O-CG 3.25Å; Y8-Q12 PolarHBondContact O-N 2.79Å; Y8-Q12 PolarHBondContact OH-NE2 2.87Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.08Å
9	F	66	Low	62.1	Low	141 Å²	141	116.5 Å²	116.5	62%	0.618	58%	0.578	S	S	*	*	H	α-helix	trans	-62.7	-43.2	175.9	-118.6	-87.8	0	0	0	112.3	L5 E6 Q12 I13	L5-F9 WeakPolarHBondContact O-CB 3.45Å; L5-F9 PolarHBondContact O-N 2.9Å; E6-F9 PolarHBondContact O-N 3.05Å; F9-Q12 PolarHBondContact O-N 3.4Å; F9-I13 HydrophobicContact CD1-CD1 4.13Å; F9-I13 VanDerWaalsContact O-CG1 3.3Å; F9-I13 WeakPolarHBondContact O-CG1 3.37Å; F9-I13 PolarHBondContact O-N 2.72Å
10	I	72.3	Confident	61.8	Low	94 Å²	94	113.8 Å²	113.8	48%	0.482	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-43.2	177.2	-69.6	165.2	0	0	0	110.7	E6 F7 I13 M14	E6-I10 WeakPolarHBondContact O-CB 3.39Å; E6-I10 VanDerWaalsContact O-CG1 3.26Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 2.69Å; F7-I10 PolarHBondContact O-N 2.88Å; I10-I13 PolarHBondContact O-N 2.99Å; I10-M14 WeakPolarHBondContact O-CG 3.3Å; I10-M14 PolarHBondContact O-N 3.09Å
11	C	68.4	Low	61.2	Low	65 Å²	65	117.3 Å²	117.3	44%	0.439	58%	0.575	S	S	.	*	H	α-helix	trans	-61.8	-43.6	174.5	-74	0	0	0	0	112.4	F7 Y8 M14 I15	F7-C11 WeakPolarHBondContact O-CB 3.31Å; F7-C11 PolarHBondContact O-N 2.8Å; F7-C11 PolarHBondContact O-SG 2.92Å; F7-C11 VanDerWaalsContact O-SG 3.39Å; Y8-C11 PolarHBondContact O-N 3.34Å; C11-M14 PolarHBondContact O-N 2.89Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 2.87Å
12	Q	69.8	Low	61.9	Low	88 Å²	88	112 Å²	112	41%	0.411	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.1	-73.1	-70.5	12.2	0	0	112.1	Y8 F9 M14 I15 F16	Y8-Q12 HydrophobicContact CD1-CG 4.2Å; Y8-Q12 HydrophobicContact CE1-CG 3.86Å; Y8-Q12 WeakPolarHBondContact O-CG 3.25Å; Y8-Q12 PolarHBondContact O-N 2.79Å; Y8-Q12 PolarHBondContact OH-NE2 2.87Å; Y8-Q12 VanDerWaalsContact OH-NE2 3.08Å; F9-Q12 PolarHBondContact O-N 3.4Å; Q12-M14 VanDerWaalsContact C-N 3.32Å; Q12-M14 PolarHBondContact O-N 3.14Å; Q12-I15 PolarHBondContact O-N 2.95Å; Q12-F16 WeakPolarHBondContact O-CB 3.43Å; Q12-F16 PolarHBondContact O-N 3.42Å
13	I	70	Confident	62	Low	88 Å²	88	111.1 Å²	111.1	45%	0.451	54%	0.544	S	S	.	.	H	α-helix	trans	-61.2	-40.5	176.2	-70.6	166.2	0	0	0	111.2	F9 I10 F16 M17	F9-I13 HydrophobicContact CD1-CD1 4.13Å; F9-I13 VanDerWaalsContact O-CG1 3.3Å; F9-I13 WeakPolarHBondContact O-CG1 3.37Å; F9-I13 PolarHBondContact O-N 2.72Å; I10-I13 PolarHBondContact O-N 2.99Å; I13-F16 PolarHBondContact O-N 2.84Å; I13-M17 HydrophobicContact CG2-CG 4.41Å; I13-M17 WeakPolarHBondContact O-CB 3.43Å; I13-M17 VanDerWaalsContact O-CG 3.24Å; I13-M17 WeakPolarHBondContact O-CG 3.41Å; I13-M17 PolarHBondContact O-N 2.69Å
14	M	70.3	Confident	61.3	Low	129 Å²	129	113.9 Å²	113.9	64%	0.635	55%	0.548	S	S	*	.	H	α-helix	trans	-66	-41.2	177	-72.2	-171	72.4	0	0	112.7	I10 C11 Q12 M17 S18	I10-M14 WeakPolarHBondContact O-CG 3.3Å; I10-M14 PolarHBondContact O-N 3.09Å; C11-M14 PolarHBondContact O-N 2.89Å; Q12-M14 VanDerWaalsContact C-N 3.32Å; Q12-M14 PolarHBondContact O-N 3.14Å; M14-M17 PolarHBondContact O-N 3.21Å; M14-S18 PolarHBondContact O-N 2.83Å; M14-S18 VanDerWaalsContact O-N 3.08Å; M14-S18 PolarHBondContact O-OG 2.84Å
15	I	70.9	Confident	60.6	Low	92 Å²	92	112.9 Å²	112.9	47%	0.472	55%	0.546	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.3	-67.6	163.8	0	0	0	110.5	C11 Q12 M17 S18 N19	C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 2.87Å; Q12-I15 PolarHBondContact O-N 2.95Å; I15-M17 PolarHBondContact O-N 3.11Å; I15-S18 PolarHBondContact O-N 3.06Å; I15-N19 PolarHBondContact O-N 3.14Å; I15-N19 VanDerWaalsContact O-N 3.09Å
16	F	60.2	Low	60.2	Low	144 Å²	144	113.6 Å²	113.6	63%	0.632	55%	0.549	S	S	*	.	H	α-helix	trans	-60.5	-44.4	178.3	-160.9	-90.8	0	0	0	111.9	Q12 I13 S18 N19 V20	Q12-F16 WeakPolarHBondContact O-CB 3.43Å; Q12-F16 PolarHBondContact O-N 3.42Å; I13-F16 PolarHBondContact O-N 2.84Å; F16-S18 PolarHBondContact O-N 3.29Å; F16-N19 PolarHBondContact O-N 3.23Å; F16-V20 HydrophobicContact CD1-CG2 4Å; F16-V20 HydrophobicContact CE1-CG2 3.86Å; F16-V20 WeakPolarHBondContact O-CG2 3.5Å; F16-V20 PolarHBondContact O-N 3.38Å
17	M	62.4	Low	58.8	Low	122 Å²	122	115.2 Å²	115.2	60%	0.601	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-37	177.9	-71.7	-69.5	170.1	0	0	113.1	I13 M14 I15 W21	I13-M17 HydrophobicContact CG2-CG 4.41Å; I13-M17 WeakPolarHBondContact O-CB 3.43Å; I13-M17 VanDerWaalsContact O-CG 3.24Å; I13-M17 WeakPolarHBondContact O-CG 3.41Å; I13-M17 PolarHBondContact O-N 2.69Å; M14-M17 PolarHBondContact O-N 3.21Å; I15-M17 PolarHBondContact O-N 3.11Å; M17-W21 PolarHBondContact O-N 3.17Å
18	S	63.5	Low	57.3	Low	71 Å²	71	111.9 Å²	111.9	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-63.6	-45.8	172.7	-74.7	0	0	0	0	112.2	M14 I15 F16 V20 W21 I22	M14-S18 PolarHBondContact O-N 2.83Å; M14-S18 VanDerWaalsContact O-N 3.08Å; M14-S18 PolarHBondContact O-OG 2.84Å; I15-S18 PolarHBondContact O-N 3.06Å; F16-S18 PolarHBondContact O-N 3.29Å; S18-V20 PolarHBondContact O-N 2.82Å; S18-W21 PolarHBondContact O-N 3.07Å; S18-I22 WeakPolarHBondContact O-CG1 3.27Å; S18-I22 PolarHBondContact O-N 2.71Å; S18-I22 VanDerWaalsContact O-N 3.08Å
19	N	55.8	Low	55.6	Low	90 Å²	90	111.6 Å²	111.6	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-39.8	-178.7	-68.8	-10.7	0	0	0	112	I15 F16 W21 I22 L23	I15-N19 PolarHBondContact O-N 3.14Å; I15-N19 VanDerWaalsContact O-N 3.09Å; F16-N19 PolarHBondContact O-N 3.23Å; N19-W21 VanDerWaalsContact C-N 3.29Å; N19-W21 PolarHBondContact O-N 3.09Å; N19-I22 PolarHBondContact O-N 3.05Å; N19-L23 PolarHBondContact O-N 2.82Å
20	V	55.5	Low	54	Low	62 Å²	62	114.1 Å²	114.1	38%	0.376	58%	0.576	S	S	.	*	H	α-helix	trans	-63.6	-32	174.5	170.8	0	0	0	0	112.4	F16 S18 K24	F16-V20 HydrophobicContact CD1-CG2 4Å; F16-V20 HydrophobicContact CE1-CG2 3.86Å; F16-V20 WeakPolarHBondContact O-CG2 3.5Å; F16-V20 PolarHBondContact O-N 3.38Å; S18-V20 PolarHBondContact O-N 2.82Å; V20-K24 PolarHBondContact O-N 3.29Å
21	W	49.5	Very low	52.1	Low	189 Å²	189	117 Å²	117	72%	0.716	59%	0.591	S	S	*	*	H	α-helix	trans	-74.3	-35.6	175.7	-129.2	65.9	0	0	0	112.6	M17 S18 N19 M25	M17-W21 PolarHBondContact O-N 3.17Å; S18-W21 PolarHBondContact O-N 3.07Å; N19-W21 VanDerWaalsContact C-N 3.29Å; N19-W21 PolarHBondContact O-N 3.09Å; W21-M25 PolarHBondContact O-N 2.78Å
22	I	54.4	Low	50.3	Low	80 Å²	80	119.4 Å²	119.4	41%	0.41	60%	0.604	S	S	.	*	H	α-helix	trans	-69.2	-43.5	176.8	-67.7	166.7	0	0	0	110.9	S18 N19 K24 M25 I26	S18-I22 WeakPolarHBondContact O-CG1 3.27Å; S18-I22 PolarHBondContact O-N 2.71Å; S18-I22 VanDerWaalsContact O-N 3.08Å; N19-I22 PolarHBondContact O-N 3.05Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.12Å; I22-M25 WeakPolarHBondContact O-CB 3.49Å; I22-M25 PolarHBondContact O-N 2.99Å; I22-M25 VanDerWaalsContact O-N 3.08Å; I22-I26 HydrophobicContact CG2-CD1 4.2Å
23	L	43.9	Very low	48.4	Very low	114 Å²	114	123 Å²	123	60%	0.597	62%	0.623	S	S	*	*	H	α-helix	trans	-58.1	-40.4	176.8	-123.3	70.7	0	0	0	112.2	N19 M25 I26 Q27	N19-L23 PolarHBondContact O-N 2.82Å; L23-M25 VanDerWaalsContact C-N 3.26Å; L23-M25 PolarHBondContact O-N 2.9Å; L23-I26 PolarHBondContact O-N 2.85Å; L23-I26 VanDerWaalsContact O-N 3.14Å; L23-Q27 PolarHBondContact O-N 2.83Å
24	K	40	Very low	46.6	Very low	159 Å²	159	124.5 Å²	124.5	69%	0.691	64%	0.635	S	S	*	*	H	α-helix	trans	-70.5	-13.9	178.1	-74.1	-169	174.2	-171.7	0	115.1	V20 I22	V20-K24 PolarHBondContact O-N 3.29Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.12Å
25	M	41.7	Very low	44.5	Very low	132 Å²	132	124 Å²	124	65%	0.65	64%	0.64	S	S	*	*	H	α-helix	trans	-81.8	-26.5	169.6	-80.5	-74	-162	0	0	112.7	W21 I22 L23	W21-M25 PolarHBondContact O-N 2.78Å; I22-M25 WeakPolarHBondContact O-CB 3.49Å; I22-M25 PolarHBondContact O-N 2.99Å; I22-M25 VanDerWaalsContact O-N 3.08Å; L23-M25 VanDerWaalsContact C-N 3.26Å; L23-M25 PolarHBondContact O-N 2.9Å
26	I	44.4	Very low	42.6	Very low	127 Å²	127	126.8 Å²	126.8	65%	0.651	66%	0.656	S	S	*	*	H	α-helix	trans	-86.8	-34	-171.1	-64.6	170.8	0	0	0	111.7	I22 L23 A28	I22-I26 HydrophobicContact CG2-CD1 4.2Å; L23-I26 PolarHBondContact O-N 2.85Å; L23-I26 VanDerWaalsContact O-N 3.14Å; I26-A28 PolarHBondContact O-N 2.9Å
27	Q	36.5	Very low	41.1	Very low	145 Å²	145	126.7 Å²	126.7	68%	0.678	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	10.7	177	-70.4	-177.9	-36.1	0	0	114.9	L23	L23-Q27 PolarHBondContact O-N 2.83Å
28	A	36.9	Very low	39.5	Very low	69 Å²	69	125.7 Å²	125.7	57%	0.57	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-7.2	-169.8	0	0	0	0	0	115.9	I26	I26-A28 PolarHBondContact O-N 2.9Å
29	N	35.8	Very low	37.8	Very low	143 Å²	143	127.7 Å²	127.7	77%	0.765	68%	0.676	S	S	*	*	S	Bend	trans	-141.9	83.2	-173.3	-76.6	-55.8	0	0	0	113.8
30	H	32	Very low	36.5	Very low	194 Å²	194	129.7 Å²	129.7	90%	0.898	69%	0.687	S	S	*	*			trans	179.8	96.2	142.6	-109.3	-78.1	0	0	0	111.6
31	I	32.2	Very low	35.2	Very low	154 Å²	154	133.2 Å²	133.2	79%	0.79	70%	0.704	S	S	*	*			trans	-145.1	148.8	176.8	-80.6	-172.9	0	0	0	110
32	T	30.5	Very low	34.2	Very low	116 Å²	116	129.5 Å²	129.5	71%	0.712	71%	0.707	S	S	*	*			trans	63.2	141.7	178.1	51.8	0	0	0	0	117.5
33	M	31.1	Very low	33	Very low	164 Å²	164	129 Å²	129	81%	0.808	71%	0.71	S	S	*	*			cis	-146.9	137.7	-3.9	-103.3	155.9	-179.2	0	0	106.5
34	V	30.2	Very low	32.3	Very low	118 Å²	118	127 Å²	127	72%	0.715	70%	0.703	S	S	*	*				75.3	97.5	58.5	177.7	0	0	0	0	114.1
35	T	27.9	Very low	31.7	Very low	118 Å²	118	121.8 Å²	121.8	72%	0.724	68%	0.682	S	S	*	*			trans	46.9	130	151.5	63.2	0	0	0	0	121.7
36	N	30.9	Very low	31.1	Very low	152 Å²	152	121.7 Å²	121.7	81%	0.813	68%	0.68	S	S	*	*				-161.5	164.9	110	-114.3	-55.9	0	0	0	115.9
37	N	28.4	Very low	30.3	Very low	142 Å²	142	118 Å²	118	76%	0.759	67%	0.674	S	S	*	*			trans	-81.4	163.5	-164.9	-75.2	-57.9	0	0	0	116.9
38	S	27.8	Very low	29.9	Very low	101 Å²	101	113.9 Å²	113.9	71%	0.706	66%	0.661	S	S	*	*			trans	107.7	118	130.7	72.6	0	0	0	0	121.8
39	T	27.8	Very low	29.4	Very low	113 Å²	113	116.7 Å²	116.7	69%	0.693	67%	0.666	S	S	*	*			trans	72.5	121.5	133.4	50.7	0	0	0	0	123.3
40	N	28.2	Very low	28.9	Very low	131 Å²	131	115.9 Å²	115.9	70%	0.701	66%	0.662	S	S	*	*			trans	86.8	100.2	131.1	-62.4	-2	0	0	0	121.5
41	N	28.5	Very low	28.7	Very low	137 Å²	137	112.5 Å²	112.5	73%	0.733	65%	0.651	S	S	*	*				71.3	134.8	122.8	-63	-0.9	0	0	0	122.1
42	S	28.7	Very low	28.5	Very low	111 Å²	111	112.2 Å²	112.2	78%	0.776	65%	0.65	S	S	*	*			trans	61.6	137.9	143	55.4	0	0	0	0	118.9
43	S	29.1	Very low	28.2	Very low	70 Å²	70	113.5 Å²	113.5	49%	0.49	65%	0.65	S	S	.	*			cis	-177	174.1	2.5	42.9	0	0	0	0	110.1	Y1331	S43-Y1331 WeakPolarHBondContact CA-OH 3.49Å; S43-Y1331 WeakPolarHBondContact CB-OH 3.09Å
44	T	28.8	Very low	28.1	Very low	72 Å²	72	115.4 Å²	115.4	44%	0.442	65%	0.65	S	S	.	*			trans	62.1	102.3	153.3	43.9	0	0	0	0	120.2	Y1331	T44-Y1331 HydrophobicContact CG2-CE1 3.66Å; T44-Y1331 VanDerWaalsContact N-CZ 3.31Å; T44-Y1331 PolarHBondContact N-OH 2.96Å; T44-Y1331 VanDerWaalsContact N-OH 3.12Å
45	N	28.3	Very low	28.1	Very low	48 Å²	48	116.3 Å²	116.3	26%	0.257	65%	0.651	S	S	.	*				39.2	120.3	121.1	-59.5	-0.9	0	0	0	121.2	Y1331 S1332 N1333	N45-Y1331 WeakPolarHBondContact OD1-CD1 3.47Å; N45-Y1331 VanDerWaalsContact OD1-CG 3.32Å; N45-S1332 VanDerWaalsContact CG-O 3.26Å; N45-S1332 VanDerWaalsContact ND2-CB 3.34Å; N45-S1332 WeakPolarHBondContact ND2-CB 3.45Å; N45-S1332 PolarHBondContact ND2-O 2.99Å; N45-S1332 PolarHBondContact ND2-OG 3.46Å; N45-S1332 PolarHBondContact OD1-O 3.39Å; N45-N1333 HydrophobicContact CB-CB 4.25Å; N45-N1333 VanDerWaalsContact ND2-CG 3.31Å; N45-N1333 PolarHBondContact ND2-ND2 3.48Å; N45-N1333 VanDerWaalsContact ND2-ND2 3.15Å
46	H	29.2	Very low	28.2	Very low	130 Å²	130	118 Å²	118	60%	0.602	65%	0.654	S	S	*	*				-178.1	147	95.7	-109.3	-81.4	0	0	0	112.5	N1333	H46-N1333 PolarHBondContact CD2-ND2 2.91Å; H46-N1333 PolarHBondContact CE1-ND2 2.92Å; H46-N1333 PolarHBondContact NE2-ND2 3.37Å
47	G	27.5	Very low	28.1	Very low	50 Å²	50	117.7 Å²	117.7	52%	0.515	65%	0.652	S	S	.	*			trans	97.5	102.4	135	0	0	0	0	0	119
48	S	27.5	Very low	28	Very low	58 Å²	58	117.5 Å²	117.5	41%	0.406	65%	0.65	S	S	.	*			trans	50.2	127	130.3	-106.1	0	0	0	0	122.3	N1335	S48-N1335 WeakPolarHBondContact OG-CB 3.26Å; S48-N1335 PolarHBondContact OG-ND2 2.93Å
49	N	26.7	Very low	27.8	Very low	128 Å²	128	119.5 Å²	119.5	68%	0.684	65%	0.653	S	S	*	*			trans	85.6	136.1	134.9	-61.8	11.7	0	0	0	120.1
50	N	26.3	Very low	27.8	Very low	127 Å²	127	119.2 Å²	119.2	68%	0.679	66%	0.655	S	S	*	*			trans	78.3	112.3	144.3	-66.3	3.8	0	0	0	120.6
51	N	26.9	Very low	27.7	Very low	123 Å²	123	118.8 Å²	118.8	66%	0.658	66%	0.658	S	S	*	*				78.6	106.2	125.5	-56.8	-2.9	0	0	0	120.3
52	N	27.3	Very low	27.5	Very low	147 Å²	147	120.1 Å²	120.1	79%	0.786	66%	0.66	S	S	*	*				75.2	153.1	125.9	-58	2	0	0	0	120
53	M	25.9	Very low	27.4	Very low	143 Å²	143	121 Å²	121	70%	0.704	66%	0.656	S	S	*	*			trans	69.2	137.1	177.8	-61.7	175.3	61.8	0	0	114.5
54	Y	29.3	Very low	27.2	Very low	205 Å²	205	122.8 Å²	122.8	80%	0.804	67%	0.668	S	S	*	*			cis	-107.6	114.2	15.7	-79.5	-98.7	0	0	0	114.9
55	D	28.9	Very low	27.1	Very low	137 Å²	137	126.3 Å²	126.3	73%	0.733	68%	0.683	S	S	*	*			trans	-70.8	147	143.5	-92.7	-57.3	0	0	0	109.7
56	L	31.1	Very low	27	Very low	152 Å²	152	130.3 Å²	130.3	80%	0.796	71%	0.705	S	S	*	*			trans	-144.2	86	148.2	-90.4	-178.5	0	0	0	110.7
57	L	28.3	Very low	26.8	Very low	147 Å²	147	134.1 Å²	134.1	77%	0.77	72%	0.719	S	S	*	*			trans	40.6	114.6	138.8	-59	166.6	0	0	0	117.7
58	L	25.4	Very low	26.8	Very low	138 Å²	138	134.9 Å²	134.9	72%	0.723	73%	0.728	S	S	*	*			cis	74.5	105.2	22.6	-145.6	123.7	0	0	0	116.6
59	N	24.5	Very low	26.9	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	75%	0.746	S	S	*	*			trans	59.5	122	154.1	-62.9	-11.1	0	0	0	122.7
60	S	26.5	Very low	27	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	75%	0.748	S	S	*	*				-172.2	130.7	121	56.1	0	0	0	0	115.8
61	T	26.1	Very low	27.1	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	76%	0.756	S	S	*	*			trans	53.9	117.9	142.9	57.6	0	0	0	0	123.8
62	E	25.3	Very low	27.1	Very low	166 Å²	166	141.3 Å²	141.3	78%	0.776	76%	0.755	S	S	*	*				75.8	135.7	126.2	-69.6	-164.8	-171.6	0	0	124.7
63	N	25.9	Very low	27.1	Very low	130 Å²	130	141.9 Å²	141.9	70%	0.695	76%	0.757	S	S	*	*			trans	67.2	95.7	142.1	-74	-45.2	0	0	0	121.6
64	S	25.5	Very low	27.3	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	76%	0.756	S	S	*	*				115.1	143.2	114.9	80.9	0	0	0	0	120.5
65	L	25.8	Very low	27.2	Very low	146 Å²	146	137.2 Å²	137.2	76%	0.764	75%	0.748	S	S	*	*			trans	63	108.9	161.9	-87.4	72.8	0	0	0	121.9
66	N	26.8	Very low	27.1	Very low	132 Å²	132	140 Å²	140	71%	0.706	75%	0.748	S	S	*	*				71.7	91	127.1	-65.4	-19.2	0	0	0	122.4
67	K	25.5	Very low	26.9	Very low	210 Å²	210	138.8 Å²	138.8	91%	0.913	74%	0.742	S	S	*	*				53.7	103.9	126.8	-65.1	-176.6	174.7	-175.9	0	119.4
68	G	26.9	Very low	26.9	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	74%	0.743	S	S	*	*			trans	-175.4	110	157.1	0	0	0	0	0	116.5
69	T	28.9	Very low	27	Very low	130 Å²	130	141.6 Å²	141.6	80%	0.798	75%	0.748	S	S	*	*			trans	56.5	144.1	147	53.5	0	0	0	0	123.3
70	H	29.3	Very low	27	Very low	157 Å²	157	145.4 Å²	145.4	73%	0.727	75%	0.754	S	S	*	*			trans	64.1	140.2	175.7	-62.3	-80.9	0	0	0	115.2
71	I	28.3	Very low	26.9	Very low	164 Å²	164	146.8 Å²	146.8	84%	0.841	76%	0.758	S	S	*	*			cis	-118.2	146.2	24.6	-71	159.4	0	0	0	111.7
72	D	27	Very low	26.9	Very low	120 Å²	120	149.7 Å²	149.7	64%	0.642	76%	0.763	S	S	*	*			trans	-112.7	101.2	-173.5	-145.3	-16.1	0	0	0	111.5	N75	D72-N75 PolarHBondContact OD1-ND2 3.43Å
73	L	28.3	Very low	26.9	Very low	158 Å²	158	148.8 Å²	148.8	83%	0.827	76%	0.762	S	S	*	*			trans	-152.2	14.8	171.8	-121.2	167.9	0	0	0	112.8
74	I	29.9	Very low	26.8	Very low	131 Å²	131	147.2 Å²	147.2	67%	0.672	76%	0.761	S	S	*	*			trans	-128.3	55.6	-178.6	-47.8	-179.2	0	0	0	109.6	L77	I74-L77 HydrophobicContact CG2-CD1 3.84Å
75	N	25.9	Very low	26.7	Very low	120 Å²	120	147.6 Å²	147.6	64%	0.642	76%	0.764	S	S	*	*			trans	-139.1	31.3	178	-82.7	-51.2	0	0	0	114	D72	D72-N75 PolarHBondContact OD1-ND2 3.43Å
76	R	27.1	Very low	26.7	Very low	195 Å²	195	146.9 Å²	146.9	74%	0.736	77%	0.771	S	S	*	*			trans	-132.5	51.9	157.6	-78.1	-161.3	-178.7	-169.2	6.4	111.6
77	L	27.5	Very low	26.5	Very low	126 Å²	126	145.5 Å²	145.5	66%	0.66	77%	0.772	S	S	*	*			trans	-106.4	123.5	167.5	-81.3	169.3	0	0	0	109.8	I74 R79	I74-L77 HydrophobicContact CG2-CD1 3.84Å; L77-R79 PolarHBondContact O-N 2.85Å; L77-R79 VanDerWaalsContact O-N 3.09Å
78	P	28.7	Very low	26.5	Very low	123 Å²	123	140.9 Å²	140.9	80%	0.799	77%	0.766	S	S	*	*			trans	-65.1	105.8	166.5	-17.4	31.4	0	0	0	109.8	Y80	P78-Y80 PolarHBondContact O-N 3.5Å
79	R	26.5	Very low	26.4	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	77%	0.768	S	S	*	*			trans	-82.9	114.7	177.2	-66.9	-172.4	-173	179.3	4.5	111	L77	L77-R79 PolarHBondContact O-N 2.85Å; L77-R79 VanDerWaalsContact O-N 3.09Å
80	Y	25.5	Very low	26.3	Very low	223 Å²	223	141.5 Å²	141.5	88%	0.875	77%	0.765	S	S	*	*			trans	-110.6	97.2	159	-96.3	-87.3	0	0	0	109.5	P78	P78-Y80 PolarHBondContact O-N 3.5Å
81	T	24.9	Very low	26.2	Very low	135 Å²	135	138.8 Å²	138.8	83%	0.828	76%	0.764	S	S	*	*			trans	167.2	103.3	152.9	29	0	0	0	0	112.4
82	Q	25.8	Very low	26.1	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	76%	0.763	S	S	*	*			trans	176	126.9	149	-100.9	175.2	3.4	0	0	106.2
83	I	23.9	Very low	26.1	Very low	148 Å²	148	139.4 Å²	139.4	76%	0.759	77%	0.768	S	S	*	*			cis	84.9	133.2	40.4	-60.5	171.9	0	0	0	113.6
84	S	23.7	Very low	26	Very low	96 Å²	96	137 Å²	137	67%	0.671	76%	0.764	S	S	*	*			trans	76.9	92.7	164.7	58.1	0	0	0	0	120.5
85	S	24.5	Very low	25.9	Very low	115 Å²	115	135.6 Å²	135.6	80%	0.804	77%	0.765	S	S	*	*				21.2	125.3	119.6	60.2	0	0	0	0	119.9
86	S	25.8	Very low	25.9	Very low	130 Å²	130	134.9 Å²	134.9	91%	0.909	77%	0.77	S	S	*	*			trans	-144.3	77.9	154.4	67.2	0	0	0	0	113.7
87	S	23.3	Very low	25.8	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	77%	0.771	S	S	*	*	S	Bend	trans	-136.4	121.7	153.6	60	0	0	0	0	109.7
88	S	25	Very low	25.7	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	78%	0.775	S	S	*	*	S	Bend	trans	60.6	117.2	173.9	45.8	0	0	0	0	120.1
89	S	25.2	Very low	25.6	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	78%	0.775	S	S	*	*			trans	72.3	108.9	138.5	54.5	0	0	0	0	123.2
90	S	26.2	Very low	25.5	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	77%	0.772	S	S	*	*				76.7	132.1	127.9	58.1	0	0	0	0	123
91	S	27.8	Very low	25.5	Very low	101 Å²	101	118.6 Å²	118.6	71%	0.706	76%	0.762	S	S	*	*			trans	53.7	116.7	153.6	48.4	0	0	0	0	118.3
92	Q	26.4	Very low	25.7	Very low	178 Å²	178	119.2 Å²	119.2	83%	0.832	77%	0.766	S	S	*	*			cis	112.4	148.1	42.7	-96.6	-173.8	-18.5	0	0	111
93	T	27.2	Very low	25.8	Very low	119 Å²	119	119.3 Å²	119.3	73%	0.73	76%	0.764	S	S	*	*			trans	66.4	91	158.2	46.5	0	0	0	0	121.2
94	S	26.2	Very low	25.8	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	77%	0.772	S	S	*	*				81.4	160.6	110.5	67.2	0	0	0	0	123.8
95	S	26.4	Very low	25.9	Very low	100 Å²	100	120.2 Å²	120.2	70%	0.699	78%	0.781	S	S	*	*			trans	72.4	83	155.5	47.2	0	0	0	0	120.9
96	S	25.8	Very low	26	Very low	106 Å²	106	119 Å²	119	74%	0.741	77%	0.773	S	S	*	*				50.5	133	113.4	64.4	0	0	0	0	122.8
97	S	25.3	Very low	26.4	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	77%	0.773	S	S	*	*			trans	105.7	146.8	139.9	83.5	0	0	0	0	119.2
98	S	25.1	Very low	26.8	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	77%	0.772	S	S	*	*			trans	90.2	112.2	151.2	-51.2	0	0	0	0	120
99	A	26.5	Very low	27.7	Very low	98 Å²	98	122.4 Å²	122.4	81%	0.81	75%	0.75	S	S	*	*			trans	70.5	156.4	133.2	0	0	0	0	0	121
100	V	26.1	Very low	28.5	Very low	127 Å²	127	123.7 Å²	123.7	77%	0.77	74%	0.744	S	S	*	*			cis	-165.2	160.7	-41.1	101.9	0	0	0	0	108.9
101	T	25.6	Very low	29.7	Very low	107 Å²	107	118.9 Å²	118.9	66%	0.656	71%	0.71	S	S	*	*			trans	53.6	117.4	170.3	44.4	0	0	0	0	119.7
102	T	28.7	Very low	31.1	Very low	149 Å²	149	114.9 Å²	114.9	91%	0.914	68%	0.682	S	S	*	*				-134.2	141.3	97.5	-25.3	0	0	0	0	107.7
103	F	27.1	Very low	32.9	Very low	185 Å²	185	112 Å²	112	81%	0.811	66%	0.664	S	S	*	*			trans	-136.3	166.9	-167.4	-131.8	-104.8	0	0	0	109.7
104	L	24.7	Very low	35.2	Very low	179 Å²	179	110.4 Å²	110.4	94%	0.937	65%	0.649	S	S	*	*			trans	81.1	112.7	-168.6	-50.4	166.3	0	0	0	113
105	G	25.3	Very low	37.9	Very low	84 Å²	84	105.3 Å²	105.3	87%	0.866	61%	0.613	S	S	*	*	S	Bend	trans	171.9	-34.4	176.1	0	0	0	0	0	116.2
106	S	27.6	Very low	40.8	Very low	89 Å²	89	101.5 Å²	101.5	62%	0.622	58%	0.584	S	S	*	*			trans	-156.9	115.4	179.2	58.7	0	0	0	0	112.1	F108	S106-F108 WeakPolarHBondContact O-CD2 3.46Å
107	E	33.7	Very low	43.7	Very low	195 Å²	195	96.5 Å²	96.5	91%	0.911	55%	0.549	S	S	*	.			trans	-84.7	133.9	168	-65.9	-164.4	141.6	0	0	110.4	I109	E107-I109 PolarHBondContact O-N 2.76Å
108	F	31.7	Very low	46.6	Very low	160 Å²	160	96 Å²	96	70%	0.702	53%	0.532	S	S	*	.			trans	-85.6	95.3	-161	-81.5	-109.2	0	0	0	112.7	S106 Q110 S143	S106-F108 WeakPolarHBondContact O-CD2 3.46Å; F108-Q110 PolarHBondContact O-N 2.98Å; F108-S143 WeakPolarHBondContact O-CB 3.42Å
109	I	42.4	Very low	49.2	Very low	63 Å²	63	91.5 Å²	91.5	32%	0.323	50%	0.499	S	S	.	.			trans	-79.4	98.4	151.7	-65.6	179.5	0	0	0	107.6	E107 L111 L139 V237 T239	E107-I109 PolarHBondContact O-N 2.76Å; I109-L111 HydrophobicContact CG2-CD1 3.66Å; I109-L111 HydrophobicContact CG2-CG 3.96Å; I109-L111 PolarHBondContact O-N 3Å; I109-L139 HydrophobicContact CG2-CD2 3.62Å; I109-V237 HydrophobicContact CD1-CG1 4.45Å; I109-T239 HydrophobicContact CD1-CG2 4.35Å
110	Q	42.7	Very low	51.8	Low	131 Å²	131	91.3 Å²	91.3	61%	0.612	48%	0.481	S	S	*	.			trans	-91.7	94.6	173.6	-174.4	176.8	-1.1	0	0	109.5	F108	F108-Q110 PolarHBondContact O-N 2.98Å
111	L	51.4	Low	54.5	Low	4 Å²	4	85.7 Å²	85.7	2%	0.021	45%	0.447	C	S	.	.			trans	-84.3	138.9	170.3	-77.9	138.6	0	0	0	110.7	I109 Y113 L138 F300 I302	I109-L111 HydrophobicContact CG2-CD1 3.66Å; I109-L111 HydrophobicContact CG2-CG 3.96Å; I109-L111 PolarHBondContact O-N 3Å; L111-Y113 VanDerWaalsContact O-CD2 3.26Å; L111-Y113 WeakPolarHBondContact O-CD2 3.39Å; L111-Y113 WeakPolarHBondContact O-CE2 3.33Å; L111-Y113 PolarHBondContact O-N 3.08Å; L111-L138 HydrophobicContact CD2-CB 3.87Å; L111-L138 HydrophobicContact CD2-CD2 4.26Å; L111-L138 WeakPolarHBondContact CD2-O 3.4Å; L111-L138 WeakPolarHBondContact CG-O 3.11Å; L111-F300 HydrophobicContact CD1-CB 4.29Å; L111-F300 HydrophobicContact CD1-CD1 3.42Å; L111-F300 VanDerWaalsContact CD1-CD1 3.42Å; L111-F300 HydrophobicContact CD1-CD2 3.6Å; L111-F300 HydrophobicContact CD1-CE1 3.35Å; L111-F300 HydrophobicContact CD1-CE2 3.54Å; L111-F300 HydrophobicContact CD1-CG 3.51Å; L111-F300 HydrophobicContact CD1-CZ 3.4Å; L111-I302 HydrophobicContact CD2-CD1 4.29Å
112	S	57	Low	57.2	Low	17 Å²	17	84.2 Å²	84.2	12%	0.119	44%	0.44	C	S	.	.			trans	-71.3	102.5	165.7	-56.1	0	0	0	0	109.8	H114 D129 C136 Q137	S112-H114 PolarHBondContact O-N 2.91Å; S112-D129 WeakPolarHBondContact CB-OD2 3.36Å; S112-D129 PolarHBondContact OG-OD2 2.84Å; S112-C136 WeakPolarHBondContact CB-SG 3.25Å; S112-Q137 PolarHBondContact OG-O 3.12Å
113	Y	64.2	Low	59.6	Low	118 Å²	118	79.3 Å²	79.3	46%	0.463	41%	0.414	S	S	.	.	S	Bend	trans	-69	-17.5	-179.9	-67.1	-86.1	0	0	0	114	L111 F300 H303	L111-Y113 VanDerWaalsContact O-CD2 3.26Å; L111-Y113 WeakPolarHBondContact O-CD2 3.39Å; L111-Y113 WeakPolarHBondContact O-CE2 3.33Å; L111-Y113 PolarHBondContact O-N 3.08Å; Y113-F300 HydrophobicContact CE1-CD1 4.45Å; Y113-H303 PolarHBondContact O-N 2.82Å
114	H	75.4	Confident	62.2	Low	86 Å²	86	78.2 Å²	78.2	40%	0.398	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.2	-176.7	-60.3	84.2	0	0	0	109.8	S112 E130 H303	S112-H114 PolarHBondContact O-N 2.91Å; H114-E130 HydrophobicContact CB-CB 3.96Å; H114-E130 PolarHBondContact O-N 3.12Å; H114-H303 WeakPolarHBondContact CA-O 2.88Å
115	C	84	Confident	65	Low	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.9	173.9	-59.2	0	0	0	0	110.9	L127 L128 C136 H303 I304 K305	C115-L127 HydrophobicContact CB-CB 4.23Å; C115-L127 HydrophobicContact CB-CD2 3.88Å; C115-L128 CarbonylContact C-O 3.58Å; C115-L128 VanDerWaalsContact CA-O 3.23Å; C115-L128 WeakPolarHBondContact CA-O 3.34Å; C115-C136 VanDerWaalsContact CA-SG 3.56Å; C115-C136 HydrophobicContact CB-CB 3.85Å; C115-C136 WeakPolarHBondContact CB-SG 3.4Å; C115-C136 WeakPolarHBondContact SG-CB 3.31Å; C115-C136 CovalentContact SG-SG 2.04Å; C115-C136 PolarHBondContact SG-SG 2.8Å; C115-H303 PolarHBondContact N-O 2.59Å; C115-I304 CarbonylContact O-C 3.02Å; C115-I304 WeakPolarHBondContact O-CA 3.46Å; C115-K305 PolarHBondContact O-N 3.28Å
116	I	86.4	Confident	67.9	Low	21 Å²	21	72.5 Å²	72.5	11%	0.108	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.2	177.3	-74.4	171.3	0	0	0	110.4	L128 E130 K305 I307	I116-L128 HydrophobicContact CB-CB 4.4Å; I116-L128 PolarHBondContact N-O 2.92Å; I116-L128 PolarHBondContact O-N 3.03Å; I116-E130 HydrophobicContact CD1-CB 3.73Å; I116-E130 HydrophobicContact CD1-CG 3.81Å; I116-E130 HydrophobicContact CG1-CB 4.03Å; I116-E130 HydrophobicContact CG1-CG 4.44Å; I116-K305 WeakPolarHBondContact CA-O 3.47Å; I116-K305 HydrophobicContact CG1-CB 4.38Å; I116-I307 HydrophobicContact CD1-CD1 4.06Å; I116-I307 HydrophobicContact CG1-CD1 4.3Å; I116-I307 HydrophobicContact CG2-CD1 3.5Å; I116-I307 HydrophobicContact CG2-CG1 4.03Å
117	V	87.3	Confident	70.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137.2	166.3	35	0	0	0	0	109.1	T121 L127 F181 T192 I196 I304 K305 L306 I307	V117-T121 HydrophobicContact CG2-CG2 4.33Å; V117-T121 WeakPolarHBondContact CG2-OG1 3.49Å; V117-L127 HydrophobicContact CB-CD2 4.47Å; V117-L127 HydrophobicContact CB-CG 4.11Å; V117-L127 HydrophobicContact CG1-CD2 4.13Å; V117-L127 HydrophobicContact CG1-CG 4.31Å; V117-F181 HydrophobicContact CG1-CE1 4.45Å; V117-T192 HydrophobicContact CG2-CG2 4.26Å; V117-I196 HydrophobicContact CG2-CG1 4.29Å; V117-I196 HydrophobicContact CG2-CG2 4.05Å; V117-I304 HydrophobicContact CG1-CG2 3.64Å; V117-K305 PolarHBondContact N-O 3.42Å; V117-L306 HydrophobicContact CB-CD1 4.3Å; V117-L306 HydrophobicContact CG1-CD1 3.5Å; V117-L306 HydrophobicContact CG2-CD1 4.13Å; V117-L306 WeakPolarHBondContact O-CA 3.13Å; V117-I307 PolarHBondContact O-N 2.76Å
118	Y	85	Confident	73.1	Confident	98 Å²	98	60.6 Å²	60.6	38%	0.384	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	153.3	173.9	-65.1	-82.1	0	0	0	110.8	T121 L128 I307	Y118-T121 WeakPolarHBondContact O-CB 3.48Å; Y118-T121 WeakPolarHBondContact O-CG2 3.46Å; Y118-T121 PolarHBondContact O-OG1 2.78Å; Y118-L128 HydrophobicContact CE2-CD1 3.86Å; Y118-I307 CarbonylContact C-O 3.56Å; Y118-I307 WeakPolarHBondContact CA-O 3.41Å; Y118-I307 HydrophobicContact CD1-CB 3.84Å; Y118-I307 HydrophobicContact CD1-CG2 3.74Å; Y118-I307 HydrophobicContact CE1-CB 4.15Å; Y118-I307 HydrophobicContact CE1-CD1 4.29Å; Y118-I307 HydrophobicContact CE1-CG2 3.79Å
119	D	81.7	Confident	75.4	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.053	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	160	169	-173.2	35.2	0	0	0	112.6	T121 R198 I307 I309	D119-T121 PolarHBondContact O-N 3.32Å; D119-R198 HydrophobicContact CB-CB 3.9Å; D119-R198 VanDerWaalsContact CG-CB 3.41Å; D119-R198 VanDerWaalsContact OD1-CB 3.24Å; D119-R198 WeakPolarHBondContact OD1-CB 3.12Å; D119-R198 PolarHBondContact OD1-N 2.79Å; D119-I307 WeakPolarHBondContact CB-O 3.24Å; D119-I307 PolarHBondContact N-O 3.35Å; D119-I309 HydrophobicContact CB-CG1 4.25Å
120	E	80.1	Confident	77.1	Confident	94 Å²	94	54.2 Å²	54.2	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	23	-169	-91.1	-69.4	151.5	0	0	114	H195 I196 I309	E120-H195 IonicContact OE1-CE1 2.71Å; E120-H195 PolarHBondContact OE1-CE1 2.9Å; E120-H195 VanDerWaalsContact OE1-CE1 3.27Å; E120-H195 IonicContact OE1-NE2 2.88Å; E120-H195 PolarHBondContact OE1-NE2 2.8Å; E120-H195 IonicContact OE2-CD2 3.52Å; E120-H195 IonicContact OE2-CE1 2.8Å; E120-H195 IonicContact OE2-NE2 3.83Å; E120-H195 PolarHBondContact OE2-NE2 3.49Å; E120-I196 VanDerWaalsContact CA-O 3.3Å; E120-I196 WeakPolarHBondContact CA-O 3.47Å; E120-I196 PolarHBondContact N-O 3.19Å; E120-I309 HydrophobicContact CB-CD1 3.91Å; E120-I309 HydrophobicContact CG-CD1 4.38Å
121	T	82.3	Confident	78.5	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.055	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-71.6	130.2	177.3	41.6	0	0	0	0	111.2	V117 Y118 D119 Y125 H195 I196	V117-T121 HydrophobicContact CG2-CG2 4.33Å; V117-T121 WeakPolarHBondContact CG2-OG1 3.49Å; Y118-T121 WeakPolarHBondContact O-CB 3.48Å; Y118-T121 WeakPolarHBondContact O-CG2 3.46Å; Y118-T121 PolarHBondContact O-OG1 2.78Å; D119-T121 PolarHBondContact O-N 3.32Å; T121-Y125 HydrophobicContact CG2-CD1 3.92Å; T121-Y125 HydrophobicContact CG2-CD2 4.17Å; T121-Y125 HydrophobicContact CG2-CE1 4.13Å; T121-Y125 HydrophobicContact CG2-CE2 4.36Å; T121-Y125 HydrophobicContact CG2-CG 3.95Å; T121-H195 WeakPolarHBondContact O-CA 3.18Å; T121-H195 PolarHBondContact O-CD2 3.24Å; T121-I196 PolarHBondContact N-O 3.37Å; T121-I196 PolarHBondContact O-N 2.85Å; T121-I196 WeakPolarHBondContact OG1-CB 3.42Å
122	P	83	Confident	79.5	Confident	76 Å²	76	57 Å²	57	49%	0.494	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-70.2	163.5	176.8	30.6	-35.9	0	0	0	111.1	Y125 T192	P122-Y125 WeakPolarHBondContact O-CB 3.32Å; P122-Y125 PolarHBondContact O-N 3.43Å; P122-T192 PolarHBondContact O-OG1 2.78Å
123	A	78.6	Confident	79.9	Confident	46 Å²	46	58.5 Å²	58.5	38%	0.38	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	149.6	166.7	0	0	0	0	0	111.3	Y125 Q194	A123-Y125 VanDerWaalsContact C-N 3.32Å; A123-Q194 WeakPolarHBondContact CA-O 3.12Å
124	Q	81.3	Confident	80.6	Confident	162 Å²	162	58 Å²	58	76%	0.757	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	17.1	-175.5	-50.7	-175.2	-16.8	0	0	115.3	T192	Q124-T192 WeakPolarHBondContact CA-O 3.48Å; Q124-T192 PolarHBondContact N-O 3.42Å; Q124-T192 PolarHBondContact N-OG1 3.25Å
125	Y	84.1	Confident	80.7	Confident	82 Å²	82	56.4 Å²	56.4	32%	0.322	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-79.8	127.3	169.5	-166.9	-89.3	0	0	0	110.3	T121 P122 A123 Y191 T192	T121-Y125 HydrophobicContact CG2-CD1 3.92Å; T121-Y125 HydrophobicContact CG2-CD2 4.17Å; T121-Y125 HydrophobicContact CG2-CE1 4.13Å; T121-Y125 HydrophobicContact CG2-CE2 4.36Å; T121-Y125 HydrophobicContact CG2-CG 3.95Å; P122-Y125 WeakPolarHBondContact O-CB 3.32Å; P122-Y125 PolarHBondContact O-N 3.43Å; A123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-Y191 CarbonylContact O-C 3.49Å; Y125-Y191 VanDerWaalsContact O-CA 3.25Å; Y125-Y191 WeakPolarHBondContact O-CA 3.45Å; Y125-Y191 WeakPolarHBondContact O-CB 3.28Å; Y125-T192 PolarHBondContact N-OG1 3.11Å; Y125-T192 PolarHBondContact O-N 2.84Å; Y125-T192 PolarHBondContact O-OG1 3.04Å
126	N	86.2	Confident	80.5	Confident	62 Å²	62	56.4 Å²	56.4	33%	0.332	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-75	130.7	173.7	-67.2	-69	0	0	0	109.5	T135 T189	N126-T135 HydrophobicContact CB-CG2 3.55Å; N126-T189 PolarHBondContact OD1-OG1 3.31Å
127	L	86.8	Confident	79.9	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63.2	157.2	175.2	-81.1	72.8	0	0	0	110.3	C115 V117 T135 C136 F181 L190 T192 I304	C115-L127 HydrophobicContact CB-CB 4.23Å; C115-L127 HydrophobicContact CB-CD2 3.88Å; V117-L127 HydrophobicContact CB-CD2 4.47Å; V117-L127 HydrophobicContact CB-CG 4.11Å; V117-L127 HydrophobicContact CG1-CD2 4.13Å; V117-L127 HydrophobicContact CG1-CG 4.31Å; L127-T135 CarbonylContact O-C 3.53Å; L127-T135 VanDerWaalsContact O-CA 3.3Å; L127-T135 WeakPolarHBondContact O-CA 3.3Å; L127-C136 HydrophobicContact CB-CB 4.07Å; L127-C136 PolarHBondContact O-N 2.83Å; L127-F181 HydrophobicContact CD1-CD1 4.11Å; L127-F181 HydrophobicContact CD1-CE1 4.42Å; L127-F181 HydrophobicContact CD2-CD1 4.12Å; L127-F181 HydrophobicContact CD2-CE1 4.08Å; L127-L190 HydrophobicContact CD1-CG 4.44Å; L127-L190 HydrophobicContact CD2-CD2 3.9Å; L127-L190 HydrophobicContact CD2-CG 4.22Å; L127-L190 PolarHBondContact N-O 3.33Å; L127-T192 HydrophobicContact CD1-CG2 3.98Å; L127-I304 HydrophobicContact CD2-CD1 4.23Å; L127-I304 HydrophobicContact CD2-CG1 4.31Å; L127-I304 HydrophobicContact CD2-CG2 3.72Å
128	L	84.6	Confident	79.1	Confident	34 Å²	34	58 Å²	58	18%	0.178	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	157.2	175.9	-57.2	-178.2	0	0	0	111.1	C115 I116 Y118 N134	C115-L128 CarbonylContact C-O 3.58Å; C115-L128 VanDerWaalsContact CA-O 3.23Å; C115-L128 WeakPolarHBondContact CA-O 3.34Å; I116-L128 HydrophobicContact CB-CB 4.4Å; I116-L128 PolarHBondContact N-O 2.92Å; I116-L128 PolarHBondContact O-N 3.03Å; Y118-L128 HydrophobicContact CE2-CD1 3.86Å; L128-N134 CarbonylContact C-O 3.52Å; L128-N134 VanDerWaalsContact CA-O 3.23Å; L128-N134 WeakPolarHBondContact CA-O 3.29Å
129	D	79.4	Confident	78.2	Confident	14 Å²	14	53.5 Å²	53.5	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.5	173.7	-174.7	-37	0	0	0	110.4	S112 T131 N132 G133 N134	S112-D129 WeakPolarHBondContact CB-OD2 3.36Å; S112-D129 PolarHBondContact OG-OD2 2.84Å; D129-T131 PolarHBondContact O-N 2.78Å; D129-T131 PolarHBondContact OD1-N 2.88Å; D129-T131 PolarHBondContact OD1-OG1 2.89Å; D129-N132 PolarHBondContact O-N 3.04Å; D129-N132 PolarHBondContact OD1-ND2 3.35Å; D129-N132 PolarHBondContact OD2-ND2 2.96Å; D129-G133 WeakPolarHBondContact O-CA 3.47Å; D129-G133 PolarHBondContact O-N 2.85Å; D129-N134 PolarHBondContact N-O 3.18Å
130	E	77.1	Confident	76.8	Confident	75 Å²	75	54 Å²	54	35%	0.35	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27	-178	-178	156.5	-146	0	0	113.5	H114 I116 K305	H114-E130 HydrophobicContact CB-CB 3.96Å; H114-E130 PolarHBondContact O-N 3.12Å; I116-E130 HydrophobicContact CD1-CB 3.73Å; I116-E130 HydrophobicContact CD1-CG 3.81Å; I116-E130 HydrophobicContact CG1-CB 4.03Å; I116-E130 HydrophobicContact CG1-CG 4.44Å; E130-K305 WeakPolarHBondContact OE1-CD 3.31Å; E130-K305 WeakPolarHBondContact OE1-CE 3.37Å; E130-K305 IonicContact OE1-NZ 2.59Å; E130-K305 PolarHBondContact OE1-NZ 3.13Å
131	T	72.4	Confident	74.9	Confident	116 Å²	116	53.4 Å²	53.4	71%	0.712	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.3	-176.3	92	0	0	0	0	113.8	D129	D129-T131 PolarHBondContact O-N 2.78Å; D129-T131 PolarHBondContact OD1-N 2.88Å; D129-T131 PolarHBondContact OD1-OG1 2.89Å
132	N	72.1	Confident	72.7	Confident	76 Å²	76	56.5 Å²	56.5	41%	0.406	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.7	-8.1	-166.4	64.5	76.6	0	0	0	116.4	D129 N134	D129-N132 PolarHBondContact O-N 3.04Å; D129-N132 PolarHBondContact OD1-ND2 3.35Å; D129-N132 PolarHBondContact OD2-ND2 2.96Å; N132-N134 PolarHBondContact O-N 2.84Å; N132-N134 VanDerWaalsContact O-N 3.16Å; N132-N134 PolarHBondContact O-ND2 3.33Å; N132-N134 VanDerWaalsContact OD1-CB 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 3.06Å; N132-N134 PolarHBondContact OD1-N 3.43Å; N132-N134 VanDerWaalsContact OD1-N 3.14Å; N132-N134 PolarHBondContact OD1-ND2 3.47Å
133	G	66.7	Low	70.5	Confident	50 Å²	50	54.2 Å²	54.2	52%	0.515	31%	0.313	S	S	.	.	S	Bend	trans	71.1	2.6	174.1	0	0	0	0	0	116	D129	D129-G133 WeakPolarHBondContact O-CA 3.47Å; D129-G133 PolarHBondContact O-N 2.85Å
134	N	77.7	Confident	68.5	Low	107 Å²	107	56 Å²	56	57%	0.572	32%	0.316	S	S	*	.	S	Bend	trans	-77.8	179.1	168.3	-57.6	-76.1	0	0	0	110.1	L128 D129 N132	L128-N134 CarbonylContact C-O 3.52Å; L128-N134 VanDerWaalsContact CA-O 3.23Å; L128-N134 WeakPolarHBondContact CA-O 3.29Å; D129-N134 PolarHBondContact N-O 3.18Å; N132-N134 PolarHBondContact O-N 2.84Å; N132-N134 VanDerWaalsContact O-N 3.16Å; N132-N134 PolarHBondContact O-ND2 3.33Å; N132-N134 VanDerWaalsContact OD1-CB 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 3.06Å; N132-N134 PolarHBondContact OD1-N 3.43Å; N132-N134 VanDerWaalsContact OD1-N 3.14Å; N132-N134 PolarHBondContact OD1-ND2 3.47Å
135	T	78.4	Confident	66.1	Low	52 Å²	52	50.8 Å²	50.8	32%	0.319	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-66.5	136.7	173.8	43.9	0	0	0	0	111.4	N126 L127 Q137	N126-T135 HydrophobicContact CB-CG2 3.55Å; L127-T135 CarbonylContact O-C 3.53Å; L127-T135 VanDerWaalsContact O-CA 3.3Å; L127-T135 WeakPolarHBondContact O-CA 3.3Å; T135-Q137 PolarHBondContact O-N 2.87Å
136	C	80.4	Confident	63.5	Low	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.305	C	S	.	.			trans	-68.3	100.7	-177.3	-144.6	0	0	0	0	109.7	S112 C115 L127 T189 L190	S112-C136 WeakPolarHBondContact CB-SG 3.25Å; C115-C136 VanDerWaalsContact CA-SG 3.56Å; C115-C136 HydrophobicContact CB-CB 3.85Å; C115-C136 WeakPolarHBondContact CB-SG 3.4Å; C115-C136 WeakPolarHBondContact SG-CB 3.31Å; C115-C136 CovalentContact SG-SG 2.04Å; C115-C136 PolarHBondContact SG-SG 2.8Å; L127-C136 HydrophobicContact CB-CB 4.07Å; L127-C136 PolarHBondContact O-N 2.83Å; C136-T189 WeakPolarHBondContact O-CA 3.36Å; C136-L190 PolarHBondContact O-N 2.95Å
137	Q	73.2	Confident	60.9	Low	54 Å²	54	51 Å²	51	25%	0.252	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-100.6	121.4	-178.4	-77	176.6	-4.6	0	0	109.7	S112 T135 L139 T189	S112-Q137 PolarHBondContact OG-O 3.12Å; T135-Q137 PolarHBondContact O-N 2.87Å; Q137-L139 PolarHBondContact O-N 2.8Å; Q137-T189 HydrophobicContact CG-CG2 3.58Å
138	L	71	Confident	58	Low	1 Å²	1	54 Å²	54	1%	0.005	34%	0.337	C	S	.	.	S	Bend	trans	-68.5	-27.8	178.2	-55.6	178.8	0	0	0	111.8	L111 V168 I183 Y188 I235 I302	L111-L138 HydrophobicContact CD2-CB 3.87Å; L111-L138 HydrophobicContact CD2-CD2 4.26Å; L111-L138 WeakPolarHBondContact CD2-O 3.4Å; L111-L138 WeakPolarHBondContact CG-O 3.11Å; L138-V168 HydrophobicContact CD1-CG1 4.14Å; L138-I183 HydrophobicContact CD1-CB 4.38Å; L138-I183 HydrophobicContact CD1-CD1 3.49Å; L138-I183 VanDerWaalsContact CD1-CD1 3.49Å; L138-I183 HydrophobicContact CD1-CG1 3.74Å; L138-I183 HydrophobicContact CD1-CG2 3.76Å; L138-Y188 WeakPolarHBondContact CG-O 3.48Å; L138-Y188 PolarHBondContact N-O 2.88Å; L138-I235 HydrophobicContact CD1-CD1 3.89Å; L138-I235 HydrophobicContact CD2-CD1 3.88Å; L138-I302 HydrophobicContact CD2-CD1 3.25Å
139	L	65.1	Low	55.3	Low	4 Å²	4	56.8 Å²	56.8	2%	0.021	36%	0.359	C	S	.	.	S	Bend	trans	-134.3	118.4	175.3	-58.7	175.7	0	0	0	108.4	I109 Q137 L144 I166 V168 Y188	I109-L139 HydrophobicContact CG2-CD2 3.62Å; Q137-L139 PolarHBondContact O-N 2.8Å; L139-L144 HydrophobicContact CB-CD1 3.88Å; L139-L144 HydrophobicContact CD1-CD1 4.43Å; L139-I166 HydrophobicContact CD1-CD1 3.98Å; L139-I166 HydrophobicContact CD1-CG2 3.92Å; L139-V168 HydrophobicContact CD1-CG2 4.3Å; L139-Y188 HydrophobicContact CB-CD2 3.96Å; L139-Y188 HydrophobicContact CB-CG 4.02Å; L139-Y188 HydrophobicContact CD1-CD1 3.74Å; L139-Y188 HydrophobicContact CD1-CD2 3.88Å; L139-Y188 HydrophobicContact CD1-CE1 3.73Å; L139-Y188 HydrophobicContact CD1-CE2 3.87Å; L139-Y188 HydrophobicContact CD1-CG 3.81Å; L139-Y188 HydrophobicContact CG-CD1 4.31Å; L139-Y188 HydrophobicContact CG-CD2 4.34Å; L139-Y188 HydrophobicContact CG-CG 4.09Å
140	S	52.3	Low	53	Low	20 Å²	20	63 Å²	63	14%	0.14	39%	0.392	C	S	.	.			trans	-71.6	142	-179.8	65.3	0	0	0	0	111.4	S142 S143 L144	S140-S142 PolarHBondContact O-N 2.86Å; S140-S142 VanDerWaalsContact O-N 3.14Å; S140-S142 PolarHBondContact OG-OG 2.72Å; S140-S143 PolarHBondContact N-OG 2.82Å; S140-S143 WeakPolarHBondContact O-CB 3.33Å; S140-S143 PolarHBondContact O-N 3.08Å; S140-S143 PolarHBondContact O-OG 3.1Å; S140-S143 WeakPolarHBondContact OG-CB 3.48Å; S140-S143 PolarHBondContact OG-N 2.76Å; S140-S143 PolarHBondContact OG-OG 2.7Å; S140-L144 PolarHBondContact O-N 3.22Å
141	P	40	Very low	50.6	Low	81 Å²	81	64.9 Å²	64.9	53%	0.526	40%	0.404	S	S	.	.	H	α-helix	trans	-54.4	-33.1	173.8	-30.1	35.5	0	0	0	113.2	S143 L144 S145	P141-S143 VanDerWaalsContact C-N 3.32Å; P141-S143 PolarHBondContact O-N 2.83Å; P141-L144 CarbonylContact O-C 3.3Å; P141-L144 PolarHBondContact O-N 2.97Å; P141-S145 WeakPolarHBondContact O-CB 3.3Å; P141-S145 PolarHBondContact O-N 3.05Å; P141-S145 PolarHBondContact O-OG 3.47Å
142	S	36.4	Very low	48.4	Very low	74 Å²	74	66.7 Å²	66.7	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-68	-25	174.8	46.7	0	0	0	0	114.1	S140 S146	S140-S142 PolarHBondContact O-N 2.86Å; S140-S142 VanDerWaalsContact O-N 3.14Å; S140-S142 PolarHBondContact OG-OG 2.72Å; S142-S146 WeakPolarHBondContact O-CB 3.44Å; S142-S146 PolarHBondContact O-N 2.94Å
143	S	37.3	Very low	46.2	Very low	29 Å²	29	68.6 Å²	68.6	20%	0.203	42%	0.424	C	S	.	.	H	α-helix	trans	-74.4	-32.3	170	67.7	0	0	0	0	112.6	F108 S140 P141 S146	F108-S143 WeakPolarHBondContact O-CB 3.42Å; S140-S143 PolarHBondContact N-OG 2.82Å; S140-S143 WeakPolarHBondContact O-CB 3.33Å; S140-S143 PolarHBondContact O-N 3.08Å; S140-S143 PolarHBondContact O-OG 3.1Å; S140-S143 WeakPolarHBondContact OG-CB 3.48Å; S140-S143 PolarHBondContact OG-N 2.76Å; S140-S143 PolarHBondContact OG-OG 2.7Å; P141-S143 VanDerWaalsContact C-N 3.32Å; P141-S143 PolarHBondContact O-N 2.83Å; S143-S146 PolarHBondContact O-OG 2.81Å
144	L	36.4	Very low	44.3	Very low	82 Å²	82	75.9 Å²	75.9	43%	0.429	44%	0.444	S	S	.	.	H	α-helix	trans	-86.7	-16.8	173.9	-80	77.2	0	0	0	113.6	L139 S140 P141 S147 Y188	L139-L144 HydrophobicContact CB-CD1 3.88Å; L139-L144 HydrophobicContact CD1-CD1 4.43Å; S140-L144 PolarHBondContact O-N 3.22Å; P141-L144 CarbonylContact O-C 3.3Å; P141-L144 PolarHBondContact O-N 2.97Å; L144-S147 PolarHBondContact O-OG 2.95Å; L144-S147 VanDerWaalsContact O-OG 3.06Å; L144-Y188 HydrophobicContact CD2-CE2 4.17Å
145	S	29.9	Very low	41.8	Very low	53 Å²	53	79.1 Å²	79.1	37%	0.371	46%	0.458	S	S	.	.	H	α-helix	trans	-114.8	5.8	-177	89.5	0	0	0	0	114.8	P141 S147 S148	P141-S145 WeakPolarHBondContact O-CB 3.3Å; P141-S145 PolarHBondContact O-N 3.05Å; P141-S145 PolarHBondContact O-OG 3.47Å; S145-S147 PolarHBondContact O-N 3.46Å; S145-S148 PolarHBondContact O-N 2.91Å; S145-S148 PolarHBondContact O-OG 2.55Å
146	S	29.5	Very low	39.5	Very low	70 Å²	70	83.7 Å²	83.7	49%	0.49	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-27.6	166.4	53.6	0	0	0	0	111.6	S142 S143 S148 S149	S142-S146 WeakPolarHBondContact O-CB 3.44Å; S142-S146 PolarHBondContact O-N 2.94Å; S143-S146 PolarHBondContact O-OG 2.81Å; S146-S148 PolarHBondContact O-N 3.13Å; S146-S149 PolarHBondContact O-N 2.74Å; S146-S149 PolarHBondContact O-OG 3.24Å
147	S	31.2	Very low	36.8	Very low	79 Å²	79	93.9 Å²	93.9	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-18.6	167.4	58.9	0	0	0	0	114.7	L144 S145	L144-S147 PolarHBondContact O-OG 2.95Å; L144-S147 VanDerWaalsContact O-OG 3.06Å; S145-S147 PolarHBondContact O-N 3.46Å
148	S	27.5	Very low	34.8	Very low	64 Å²	64	97 Å²	97	45%	0.448	55%	0.546	S	S	.	.	H	α-helix	trans	-98.8	-11.8	178.8	76.3	0	0	0	0	114.4	S145 S146 L151	S145-S148 PolarHBondContact O-N 2.91Å; S145-S148 PolarHBondContact O-OG 2.55Å; S146-S148 PolarHBondContact O-N 3.13Å; S148-L151 WeakPolarHBondContact O-CB 3.41Å; S148-L151 PolarHBondContact O-N 2.74Å
149	S	27.9	Very low	32.7	Very low	91 Å²	91	106.4 Å²	106.4	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-79.7	-21.8	173.3	43.9	0	0	0	0	114.6	S146 L151	S146-S149 PolarHBondContact O-N 2.74Å; S146-S149 PolarHBondContact O-OG 3.24Å; S149-L151 VanDerWaalsContact C-N 3.27Å
150	L	30.4	Very low	31.1	Very low	146 Å²	146	114.3 Å²	114.3	76%	0.764	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-79.1	-8.2	168.8	-88.4	164.4	0	0	0	113.2	N152	L150-N152 VanDerWaalsContact C-N 3.29Å; L150-N152 PolarHBondContact O-N 2.85Å
151	L	27.5	Very low	30	Very low	114 Å²	114	120.9 Å²	120.9	60%	0.597	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-81.2	0.9	-175.7	-120.7	74.3	0	0	0	114.8	S148 S149 F161	S148-L151 WeakPolarHBondContact O-CB 3.41Å; S148-L151 PolarHBondContact O-N 2.74Å; S149-L151 VanDerWaalsContact C-N 3.27Å; L151-F161 HydrophobicContact CD1-CZ 4.36Å
152	N	25.5	Very low	29.8	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-124.4	16.3	-167.8	-109.2	-24.8	0	0	0	115.9	L150	L150-N152 VanDerWaalsContact C-N 3.29Å; L150-N152 PolarHBondContact O-N 2.85Å
153	T	26.7	Very low	29.8	Very low	116 Å²	116	124.1 Å²	124.1	71%	0.712	65%	0.648	S	S	*	*	S	Bend	trans	-120.1	140	162	26	0	0	0	0	110.7	M155	T153-M155 PolarHBondContact O-N 2.94Å
154	Q	25.8	Very low	30.2	Very low	203 Å²	203	127.9 Å²	127.9	95%	0.949	67%	0.665	S	S	*	*			trans	-76.6	88.2	-163.2	-67.2	178.9	-28.2	0	0	113.8
155	M	25.8	Very low	30.8	Very low	175 Å²	175	128.7 Å²	128.7	86%	0.862	67%	0.665	S	S	*	*			trans	-127.1	96.3	159.7	-76.6	-153.5	-79.2	0	0	113.4	T153	T153-M155 PolarHBondContact O-N 2.94Å
156	I	29	Very low	32.4	Very low	147 Å²	147	127.8 Å²	127.8	75%	0.754	66%	0.656	S	S	*	*			trans	54	107.5	148.1	-50	-179.5	0	0	0	117.3	T158	I156-T158 PolarHBondContact O-N 3.12Å
157	K	25.4	Very low	34.1	Very low	215 Å²	215	127.9 Å²	127.9	94%	0.935	65%	0.651	S	S	*	*			trans	-48	108	169.2	-63	172.1	178.8	175.4	0	112.6
158	T	29.5	Very low	35.9	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.724	63%	0.626	S	S	*	*			trans	-130.4	144.7	157.4	48.2	0	0	0	0	108.5	I156	I156-T158 PolarHBondContact O-N 3.12Å
159	K	28.7	Very low	37.8	Very low	200 Å²	200	123.5 Å²	123.5	87%	0.87	62%	0.617	S	S	*	*			trans	-101	94.7	-177.6	-74.9	-177.2	175.3	-176.5	0	109.8
160	H	29.8	Very low	39.9	Very low	169 Å²	169	120 Å²	120	78%	0.782	59%	0.591	S	S	*	*			trans	-171.2	127.5	151.7	-86.9	-64.3	0	0	0	107.2
161	F	30	Very low	41.6	Very low	158 Å²	158	114.3 Å²	114.3	69%	0.693	56%	0.561	S	S	*	*			trans	-142.6	119	172.3	-91.2	-79.2	0	0	0	108.2	L151	L151-F161 HydrophobicContact CD1-CZ 4.36Å
162	E	34.6	Very low	43.3	Very low	118 Å²	118	112.8 Å²	112.8	55%	0.551	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-73.8	152.5	-170.8	-60.9	177.8	135.4	0	0	112.2	R243	E162-R243 IonicContact OE1-NE 3.51Å; E162-R243 PolarHBondContact OE1-NE 2.67Å
163	K	37.6	Very low	44.7	Very low	105 Å²	105	109.1 Å²	109.1	46%	0.457	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.6	178.3	-76	-175.6	-174.1	108.7	0	110.8	F165 G242 D244	K163-F165 HydrophobicContact CB-CD2 4.36Å; K163-F165 HydrophobicContact CB-CE2 3.8Å; K163-F165 HydrophobicContact CB-CZ 4.24Å; K163-F165 HydrophobicContact CD-CZ 4.26Å; K163-G242 PolarHBondContact N-O 3.24Å; K163-G242 WeakPolarHBondContact O-CA 3.01Å; K163-G242 PolarHBondContact O-N 3.01Å; K163-D244 IonicContact NZ-OD1 3.77Å; K163-D244 PolarHBondContact NZ-OD1 3.49Å
164	L	44.5	Very low	45.9	Very low	108 Å²	108	106.6 Å²	106.6	57%	0.565	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.8	166.7	-172.3	68.4	0	0	0	109.6	I166 I241	L164-I166 HydrophobicContact CD2-CD1 4.1Å; L164-I166 HydrophobicContact CD2-CG1 4.22Å; L164-I166 HydrophobicContact CG-CG1 4.17Å; L164-I241 HydrophobicContact CD1-CG1 4.1Å
165	F	51	Low	47.6	Very low	99 Å²	99	98 Å²	98	43%	0.434	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.9	170.9	-66.4	-91.4	0	0	0	109.4	K163 T239 R240	K163-F165 HydrophobicContact CB-CD2 4.36Å; K163-F165 HydrophobicContact CB-CE2 3.8Å; K163-F165 HydrophobicContact CB-CZ 4.24Å; K163-F165 HydrophobicContact CD-CZ 4.26Å; F165-T239 WeakPolarHBondContact O-CA 3.31Å; F165-R240 PolarHBondContact N-O 3.48Å; F165-R240 PolarHBondContact O-N 3.41Å
166	I	62.7	Low	49.4	Very low	35 Å²	35	93.1 Å²	93.1	18%	0.179	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129	178	-48.3	178.5	0	0	0	108.5	L139 L164 V168 V237 Q238 T239	L139-I166 HydrophobicContact CD1-CD1 3.98Å; L139-I166 HydrophobicContact CD1-CG2 3.92Å; L164-I166 HydrophobicContact CD2-CD1 4.1Å; L164-I166 HydrophobicContact CD2-CG1 4.22Å; L164-I166 HydrophobicContact CG-CG1 4.17Å; I166-V168 HydrophobicContact CG2-CG2 3.95Å; I166-V237 HydrophobicContact CG2-CG1 3.96Å; I166-Q238 WeakPolarHBondContact CA-O 3.31Å; I166-T239 HydrophobicContact CG1-CG2 4.26Å; I166-T239 HydrophobicContact CG2-CG2 4.33Å
167	N	64.7	Low	51.2	Low	72 Å²	72	86.6 Å²	86.6	39%	0.385	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.4	173.6	-175.5	23.7	0	0	0	108.6	N169 Q238	N167-N169 VanDerWaalsContact CG-ND2 3.31Å; N167-N169 PolarHBondContact ND2-ND2 3.19Å; N167-N169 PolarHBondContact OD1-ND2 3.23Å; N167-Q238 HydrophobicContact CB-CB 4.31Å; N167-Q238 PolarHBondContact N-O 2.95Å; N167-Q238 PolarHBondContact ND2-OE1 2.91Å; N167-Q238 PolarHBondContact O-N 2.93Å
168	V	69.1	Low	53.4	Low	4 Å²	4	76.5 Å²	76.5	2%	0.024	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.4	-174.9	-170.6	0	0	0	0	109.4	L138 L139 I166 I183 Y188 I235 L236 V237	L138-V168 HydrophobicContact CD1-CG1 4.14Å; L139-V168 HydrophobicContact CD1-CG2 4.3Å; I166-V168 HydrophobicContact CG2-CG2 3.95Å; V168-I183 HydrophobicContact CG1-CD1 3.74Å; V168-Y188 HydrophobicContact CG2-CD1 4.06Å; V168-Y188 HydrophobicContact CG2-CE1 3.91Å; V168-I235 HydrophobicContact CG1-CG2 3.45Å; V168-I235 VanDerWaalsContact CG1-CG2 3.45Å; V168-L236 WeakPolarHBondContact CA-O 3.29Å; V168-V237 HydrophobicContact CG1-CG2 4.22Å; V168-V237 HydrophobicContact CG2-CG2 4.41Å
169	N	67.7	Low	55.7	Low	47 Å²	47	75.5 Å²	75.5	25%	0.251	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.6	-175.8	-69.8	-88.4	0	0	0	111.5	N167 I235 L236	N167-N169 VanDerWaalsContact CG-ND2 3.31Å; N167-N169 PolarHBondContact ND2-ND2 3.19Å; N167-N169 PolarHBondContact OD1-ND2 3.23Å; N169-I235 WeakPolarHBondContact O-CA 3.23Å; N169-L236 PolarHBondContact N-O 2.9Å; N169-L236 PolarHBondContact O-N 3.43Å
170	I	71.9	Confident	58.2	Low	18 Å²	18	66.6 Å²	66.6	9%	0.092	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.9	165.8	-59.1	176	0	0	0	108.4	T172 A178 F181 I183 L190 L233	I170-T172 HydrophobicContact CG2-CG2 4.27Å; I170-T172 PolarHBondContact O-N 3.11Å; I170-A178 HydrophobicContact CG2-CB 3.79Å; I170-F181 HydrophobicContact CD1-CB 4.5Å; I170-I183 HydrophobicContact CD1-CD1 4.35Å; I170-I183 HydrophobicContact CD1-CG1 3.97Å; I170-I183 HydrophobicContact CG1-CD1 3.7Å; I170-I183 HydrophobicContact CG1-CG1 3.89Å; I170-L190 HydrophobicContact CD1-CD1 4.41Å; I170-L233 HydrophobicContact CD1-CD2 4.06Å; I170-L233 HydrophobicContact CG1-CD2 4.35Å; I170-L233 HydrophobicContact CG2-CD1 3.68Å; I170-L233 HydrophobicContact CG2-CG 4.24Å
171	I	66.3	Low	60.9	Low	26 Å²	26	59.1 Å²	59.1	13%	0.133	31%	0.307	C	S	.	.			trans	-85.3	110	173	-54.8	175.2	0	0	0	108	N234 L236 F299	I171-N234 HydrophobicContact CB-CB 4.42Å; I171-N234 HydrophobicContact CD1-CB 4.49Å; I171-N234 PolarHBondContact N-O 2.88Å; I171-L236 HydrophobicContact CD1-CB 4.36Å; I171-L236 HydrophobicContact CG1-CB 4.42Å; I171-F299 HydrophobicContact CD1-CD1 3.77Å; I171-F299 HydrophobicContact CD1-CE1 3.6Å
172	T	62.2	Low	63.5	Low	81 Å²	81	55 Å²	55	50%	0.497	29%	0.292	S	S	.	.			trans	-95.9	-17.2	-172	53.7	0	0	0	0	114.1	I170 A178	I170-T172 HydrophobicContact CG2-CG2 4.27Å; I170-T172 PolarHBondContact O-N 3.11Å; T172-A178 HydrophobicContact CG2-CB 4.02Å
173	T	55.4	Low	65.7	Low	78 Å²	78	49.9 Å²	49.9	48%	0.479	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-36.5	-174.8	42.2	0	0	0	0	113.6	T649 E651	T173-T649 HydrophobicContact CG2-CG2 4.43Å; T173-E651 WeakPolarHBondContact CB-OE1 3.32Å; T173-E651 WeakPolarHBondContact CG2-OE1 3.4Å; T173-E651 PolarHBondContact OG1-OE1 3.41Å
174	A	52.3	Low	67.7	Low	63 Å²	63	47.7 Å²	47.7	52%	0.521	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.8	-178.1	0	0	0	0	0	114.6
175	N	61.3	Low	69	Low	22 Å²	22	47.8 Å²	47.8	12%	0.118	26%	0.262	C	S	.	.			trans	-151.7	103	-172.8	-173.1	-22.9	0	0	0	113	M177 A178 P232	N175-M177 PolarHBondContact O-N 3.17Å; N175-M177 VanDerWaalsContact O-N 3.15Å; N175-M177 WeakPolarHBondContact OD1-CA 3.31Å; N175-M177 WeakPolarHBondContact OD1-CB 3.41Å; N175-M177 PolarHBondContact OD1-N 3.4Å; N175-A178 HydrophobicContact CB-CB 4.38Å; N175-A178 WeakPolarHBondContact O-CB 3.5Å; N175-A178 PolarHBondContact O-N 2.84Å; N175-A178 VanDerWaalsContact O-N 3.07Å; N175-P232 PolarHBondContact ND2-O 2.82Å
176	P	63.4	Low	69.9	Low	72 Å²	72	47.9 Å²	47.9	47%	0.468	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.3	178.7	-27.3	37.5	0	0	0	115.4	A178 K179 M208	P176-A178 VanDerWaalsContact C-N 3.32Å; P176-K179 VanDerWaalsContact O-CD 3.27Å; P176-K179 WeakPolarHBondContact O-CD 3.06Å; P176-K179 VanDerWaalsContact O-CG 3.23Å; P176-K179 WeakPolarHBondContact O-CG 3.36Å; P176-M208 HydrophobicContact CB-CE 3.67Å; P176-M208 HydrophobicContact CB-SD 3.88Å; P176-M208 HydrophobicContact CG-CE 3.96Å; P176-M208 HydrophobicContact CG-SD 3.76Å
177	M	67	Low	70.5	Confident	10 Å²	10	49 Å²	49	5%	0.049	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-79.4	-15.7	177.6	-59.2	-59.3	-176.8	0	0	112.8	N175 K179 Y180 L201 Q204 A205 M208 F231	N175-M177 PolarHBondContact O-N 3.17Å; N175-M177 VanDerWaalsContact O-N 3.15Å; N175-M177 WeakPolarHBondContact OD1-CA 3.31Å; N175-M177 WeakPolarHBondContact OD1-CB 3.41Å; N175-M177 PolarHBondContact OD1-N 3.4Å; M177-K179 PolarHBondContact O-N 2.98Å; M177-Y180 PolarHBondContact O-N 3.19Å; M177-Y180 HydrophobicContact SD-CD2 4.02Å; M177-Y180 HydrophobicContact SD-CE2 3.74Å; M177-L201 HydrophobicContact SD-CD2 4.48Å; M177-Q204 HydrophobicContact CE-CB 3.75Å; M177-A205 HydrophobicContact CE-CB 4.19Å; M177-M208 HydrophobicContact CE-SD 4.37Å; M177-F231 HydrophobicContact CB-CD1 4.39Å; M177-F231 HydrophobicContact CE-CE1 4.15Å; M177-F231 HydrophobicContact CG-CD1 3.87Å; M177-F231 HydrophobicContact CG-CE1 4.25Å; M177-F231 HydrophobicContact SD-CE1 4.34Å
178	A	71	Confident	71.1	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.033	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58	-20.1	173.3	0	0	0	0	0	113	I170 T172 N175 P176 Y180 F181 L233	I170-A178 HydrophobicContact CG2-CB 3.79Å; T172-A178 HydrophobicContact CG2-CB 4.02Å; N175-A178 HydrophobicContact CB-CB 4.38Å; N175-A178 WeakPolarHBondContact O-CB 3.5Å; N175-A178 PolarHBondContact O-N 2.84Å; N175-A178 VanDerWaalsContact O-N 3.07Å; P176-A178 VanDerWaalsContact C-N 3.32Å; A178-Y180 PolarHBondContact O-N 2.67Å; A178-F181 PolarHBondContact O-N 2.76Å; A178-L233 HydrophobicContact CB-CD1 3.98Å
179	K	77.8	Confident	71.7	Confident	96 Å²	96	47.4 Å²	47.4	42%	0.417	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.3	-17	174.5	79.5	-170.3	175.5	176.8	0	114.4	P176 M177 S193 Q194	P176-K179 VanDerWaalsContact O-CD 3.27Å; P176-K179 WeakPolarHBondContact O-CD 3.06Å; P176-K179 VanDerWaalsContact O-CG 3.23Å; P176-K179 WeakPolarHBondContact O-CG 3.36Å; M177-K179 PolarHBondContact O-N 2.98Å; K179-S193 PolarHBondContact O-OG 2.81Å; K179-Q194 PolarHBondContact O-NE2 2.84Å
180	Y	82.6	Confident	72.6	Confident	14 Å²	14	45.1 Å²	45.1	6%	0.055	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-92.9	-14.7	-178.3	-67.3	-75.7	0	0	0	113.4	M177 A178 S193 Q194 I196 L201 Q204	M177-Y180 PolarHBondContact O-N 3.19Å; M177-Y180 HydrophobicContact SD-CD2 4.02Å; M177-Y180 HydrophobicContact SD-CE2 3.74Å; A178-Y180 PolarHBondContact O-N 2.67Å; Y180-S193 WeakPolarHBondContact CA-OG 3.37Å; Y180-S193 PolarHBondContact O-N 2.76Å; Y180-S193 PolarHBondContact O-OG 2.66Å; Y180-Q194 HydrophobicContact CD1-CB 4.09Å; Y180-I196 HydrophobicContact CD1-CD1 4.37Å; Y180-L201 HydrophobicContact CD1-CD2 4.03Å; Y180-L201 HydrophobicContact CD2-CD2 3.61Å; Y180-L201 HydrophobicContact CE1-CD2 3.66Å; Y180-L201 HydrophobicContact CE2-CD2 3.15Å; Y180-L201 HydrophobicContact CG-CD2 4.03Å; Y180-Q204 PolarHBondContact OH-OE1 3.17Å
181	F	86.3	Confident	73.4	Confident	12 Å²	12	47 Å²	47	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.5	-174.1	-53.8	-72.9	0	0	0	111.9	V117 L127 I170 A178 L190 Y191 L233 I304	V117-F181 HydrophobicContact CG1-CE1 4.45Å; L127-F181 HydrophobicContact CD1-CD1 4.11Å; L127-F181 HydrophobicContact CD1-CE1 4.42Å; L127-F181 HydrophobicContact CD2-CD1 4.12Å; L127-F181 HydrophobicContact CD2-CE1 4.08Å; I170-F181 HydrophobicContact CD1-CB 4.5Å; A178-F181 PolarHBondContact O-N 2.76Å; F181-L190 HydrophobicContact CB-CD1 4.26Å; F181-Y191 WeakPolarHBondContact CA-O 3.17Å; F181-L233 HydrophobicContact CB-CD2 4.18Å; F181-I304 HydrophobicContact CD1-CD1 3.92Å; F181-I304 HydrophobicContact CD2-CD1 3.71Å; F181-I304 HydrophobicContact CE1-CD1 3.97Å; F181-I304 HydrophobicContact CE1-CG2 3.94Å; F181-I304 HydrophobicContact CE2-CD1 3.75Å; F181-I304 HydrophobicContact CG-CD1 3.8Å; F181-I304 HydrophobicContact CZ-CD1 3.88Å; F181-I304 HydrophobicContact CZ-CG2 3.82Å
182	N	83.2	Confident	74.4	Confident	71 Å²	71	45.8 Å²	45.8	38%	0.38	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161	174.4	-162.4	9.8	0	0	0	111.6	Y191	N182-Y191 HydrophobicContact CB-CD1 4.45Å; N182-Y191 HydrophobicContact CB-CE1 3.85Å; N182-Y191 HydrophobicContact CB-CE2 4.18Å; N182-Y191 PolarHBondContact N-O 2.93Å; N182-Y191 PolarHBondContact ND2-OH 2.67Å; N182-Y191 WeakPolarHBondContact O-CD1 3.43Å; N182-Y191 PolarHBondContact O-N 3.31Å
183	I	82.2	Confident	75.4	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.7	-176.8	-54	174.8	0	0	0	109.3	L138 V168 I170 L185 L190 I235	L138-I183 HydrophobicContact CD1-CB 4.38Å; L138-I183 HydrophobicContact CD1-CD1 3.49Å; L138-I183 VanDerWaalsContact CD1-CD1 3.49Å; L138-I183 HydrophobicContact CD1-CG1 3.74Å; L138-I183 HydrophobicContact CD1-CG2 3.76Å; V168-I183 HydrophobicContact CG1-CD1 3.74Å; I170-I183 HydrophobicContact CD1-CD1 4.35Å; I170-I183 HydrophobicContact CD1-CG1 3.97Å; I170-I183 HydrophobicContact CG1-CD1 3.7Å; I170-I183 HydrophobicContact CG1-CG1 3.89Å; I183-L185 HydrophobicContact CG2-CD2 4.38Å; I183-L185 PolarHBondContact O-N 3.05Å; I183-L190 HydrophobicContact CG1-CD1 4.15Å; I183-I235 HydrophobicContact CD1-CD1 4.32Å; I183-I235 HydrophobicContact CD1-CG2 4.35Å
184	N	80.1	Confident	76.7	Confident	58 Å²	58	44.7 Å²	44.7	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	103.9	169.3	-179.6	3.7	0	0	0	109.9	S186 N187 Y188 T189 Y191	N184-S186 PolarHBondContact O-N 3.4Å; N184-S186 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact OD1-N 3.34Å; N184-S186 PolarHBondContact OD1-OG 3.48Å; N184-S186 VanDerWaalsContact OD1-OG 3.05Å; N184-N187 WeakPolarHBondContact CB-OD1 3.35Å; N184-N187 PolarHBondContact ND2-OD1 3.35Å; N184-N187 PolarHBondContact O-N 3.26Å; N184-N187 PolarHBondContact O-OD1 3.16Å; N184-N187 VanDerWaalsContact O-OD1 3.12Å; N184-Y188 VanDerWaalsContact O-CA 3.25Å; N184-Y188 WeakPolarHBondContact O-CA 3.44Å; N184-Y188 PolarHBondContact O-N 3.09Å; N184-T189 PolarHBondContact N-O 2.87Å; N184-Y191 HydrophobicContact CB-CD1 4.08Å; N184-Y191 HydrophobicContact CB-CE1 4.08Å
185	L	70.5	Confident	78.2	Confident	110 Å²	110	45.6 Å²	45.6	58%	0.576	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.8	-175.3	-62.6	175.6	0	0	0	114.8	I183	I183-L185 HydrophobicContact CG2-CD2 4.38Å; I183-L185 PolarHBondContact O-N 3.05Å
186	S	70.9	Confident	79.2	Confident	102 Å²	102	44.5 Å²	44.5	71%	0.713	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.7	178.1	71.2	0	0	0	0	114.6	N184	N184-S186 PolarHBondContact O-N 3.4Å; N184-S186 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact OD1-N 3.34Å; N184-S186 PolarHBondContact OD1-OG 3.48Å; N184-S186 VanDerWaalsContact OD1-OG 3.05Å
187	N	74.8	Confident	80	Confident	57 Å²	57	43.8 Å²	43.8	31%	0.305	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.7	1.5	-174.8	70.7	-18	0	0	0	113.4	N184 T189	N184-N187 WeakPolarHBondContact CB-OD1 3.35Å; N184-N187 PolarHBondContact ND2-OD1 3.35Å; N184-N187 PolarHBondContact O-N 3.26Å; N184-N187 PolarHBondContact O-OD1 3.16Å; N184-N187 VanDerWaalsContact O-OD1 3.12Å; N187-T189 VanDerWaalsContact ND2-CG2 3.29Å; N187-T189 WeakPolarHBondContact ND2-CG2 3.36Å; N187-T189 PolarHBondContact ND2-OG1 3.26Å; N187-T189 PolarHBondContact O-N 3.15Å; N187-T189 PolarHBondContact OD1-N 2.95Å; N187-T189 VanDerWaalsContact OD1-N 3.13Å; N187-T189 PolarHBondContact OD1-OG1 2.76Å; N187-T189 VanDerWaalsContact OD1-OG1 3.11Å
188	Y	76.2	Confident	80.7	Confident	42 Å²	42	44.4 Å²	44.4	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	26.9	-177.2	-53	-79.7	0	0	0	115.2	L138 L139 L144 V168 N184	L138-Y188 WeakPolarHBondContact CG-O 3.48Å; L138-Y188 PolarHBondContact N-O 2.88Å; L139-Y188 HydrophobicContact CB-CD2 3.96Å; L139-Y188 HydrophobicContact CB-CG 4.02Å; L139-Y188 HydrophobicContact CD1-CD1 3.74Å; L139-Y188 HydrophobicContact CD1-CD2 3.88Å; L139-Y188 HydrophobicContact CD1-CE1 3.73Å; L139-Y188 HydrophobicContact CD1-CE2 3.87Å; L139-Y188 HydrophobicContact CD1-CG 3.81Å; L139-Y188 HydrophobicContact CG-CD1 4.31Å; L139-Y188 HydrophobicContact CG-CD2 4.34Å; L139-Y188 HydrophobicContact CG-CG 4.09Å; L144-Y188 HydrophobicContact CD2-CE2 4.17Å; V168-Y188 HydrophobicContact CG2-CD1 4.06Å; V168-Y188 HydrophobicContact CG2-CE1 3.91Å; N184-Y188 VanDerWaalsContact O-CA 3.25Å; N184-Y188 WeakPolarHBondContact O-CA 3.44Å; N184-Y188 PolarHBondContact O-N 3.09Å
189	T	82.8	Confident	80.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136.7	171.1	56.3	0	0	0	0	111.9	N126 C136 Q137 N184 N187	N126-T189 PolarHBondContact OD1-OG1 3.31Å; C136-T189 WeakPolarHBondContact O-CA 3.36Å; Q137-T189 HydrophobicContact CG-CG2 3.58Å; N184-T189 PolarHBondContact N-O 2.87Å; N187-T189 VanDerWaalsContact ND2-CG2 3.29Å; N187-T189 WeakPolarHBondContact ND2-CG2 3.36Å; N187-T189 PolarHBondContact ND2-OG1 3.26Å; N187-T189 PolarHBondContact O-N 3.15Å; N187-T189 PolarHBondContact OD1-N 2.95Å; N187-T189 VanDerWaalsContact OD1-N 3.13Å; N187-T189 PolarHBondContact OD1-OG1 2.76Å; N187-T189 VanDerWaalsContact OD1-OG1 3.11Å
190	L	85.5	Confident	80.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.5	170	-169.6	64.5	0	0	0	109.4	L127 C136 I170 F181 I183 L233 I304	L127-L190 HydrophobicContact CD1-CG 4.44Å; L127-L190 HydrophobicContact CD2-CD2 3.9Å; L127-L190 HydrophobicContact CD2-CG 4.22Å; L127-L190 PolarHBondContact N-O 3.33Å; C136-L190 PolarHBondContact O-N 2.95Å; I170-L190 HydrophobicContact CD1-CD1 4.41Å; F181-L190 HydrophobicContact CB-CD1 4.26Å; I183-L190 HydrophobicContact CG1-CD1 4.15Å; L190-L233 HydrophobicContact CD1-CD2 3.94Å; L190-L233 HydrophobicContact CD2-CD2 4.2Å; L190-I304 HydrophobicContact CD2-CD1 4.02Å; L190-I304 HydrophobicContact CD2-CG1 4.45Å
191	Y	88.6	Confident	80.1	Confident	58 Å²	58	45.8 Å²	45.8	23%	0.227	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.5	-175.6	74.7	-88.9	0	0	0	113.4	Y125 F181 N182 N184	Y125-Y191 CarbonylContact O-C 3.49Å; Y125-Y191 VanDerWaalsContact O-CA 3.25Å; Y125-Y191 WeakPolarHBondContact O-CA 3.45Å; Y125-Y191 WeakPolarHBondContact O-CB 3.28Å; F181-Y191 WeakPolarHBondContact CA-O 3.17Å; N182-Y191 HydrophobicContact CB-CD1 4.45Å; N182-Y191 HydrophobicContact CB-CE1 3.85Å; N182-Y191 HydrophobicContact CB-CE2 4.18Å; N182-Y191 PolarHBondContact N-O 2.93Å; N182-Y191 PolarHBondContact ND2-OH 2.67Å; N182-Y191 WeakPolarHBondContact O-CD1 3.43Å; N182-Y191 PolarHBondContact O-N 3.31Å; N184-Y191 HydrophobicContact CB-CD1 4.08Å; N184-Y191 HydrophobicContact CB-CE1 4.08Å
192	T	87.5	Confident	79.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.4	177.7	61.6	0	0	0	0	110.6	V117 P122 Q124 Y125 L127 I196	V117-T192 HydrophobicContact CG2-CG2 4.26Å; P122-T192 PolarHBondContact O-OG1 2.78Å; Q124-T192 WeakPolarHBondContact CA-O 3.48Å; Q124-T192 PolarHBondContact N-O 3.42Å; Q124-T192 PolarHBondContact N-OG1 3.25Å; Y125-T192 PolarHBondContact N-OG1 3.11Å; Y125-T192 PolarHBondContact O-N 2.84Å; Y125-T192 PolarHBondContact O-OG1 3.04Å; L127-T192 HydrophobicContact CD1-CG2 3.98Å; T192-I196 HydrophobicContact CG2-CD1 4.21Å; T192-I196 HydrophobicContact CG2-CG1 3.67Å
193	S	84.9	Confident	78.3	Confident	46 Å²	46	45 Å²	45	32%	0.322	23%	0.234	S	C	.	.	S	Bend	trans	-89.7	-20.4	176.9	65.5	0	0	0	0	113.1	K179 Y180	K179-S193 PolarHBondContact O-OG 2.81Å; Y180-S193 WeakPolarHBondContact CA-OG 3.37Å; Y180-S193 PolarHBondContact O-N 2.76Å; Y180-S193 PolarHBondContact O-OG 2.66Å
194	Q	82.4	Confident	77	Confident	89 Å²	89	46.9 Å²	46.9	42%	0.416	24%	0.242	S	C	.	.	S	Bend	trans	-135.2	173.7	-179.5	-60.5	-178.8	48.2	0	0	108.5	A123 K179 Y180	A123-Q194 WeakPolarHBondContact CA-O 3.12Å; K179-Q194 PolarHBondContact O-NE2 2.84Å; Y180-Q194 HydrophobicContact CD1-CB 4.09Å
195	H	83.7	Confident	75.4	Confident	82 Å²	82	44.7 Å²	44.7	38%	0.38	23%	0.232	S	C	.	.			trans	-67.2	153.1	168.1	169.2	-104.3	0	0	0	110.1	E120 T121	E120-H195 IonicContact OE1-CE1 2.71Å; E120-H195 PolarHBondContact OE1-CE1 2.9Å; E120-H195 VanDerWaalsContact OE1-CE1 3.27Å; E120-H195 IonicContact OE1-NE2 2.88Å; E120-H195 PolarHBondContact OE1-NE2 2.8Å; E120-H195 IonicContact OE2-CD2 3.52Å; E120-H195 IonicContact OE2-CE1 2.8Å; E120-H195 IonicContact OE2-NE2 3.83Å; E120-H195 PolarHBondContact OE2-NE2 3.49Å; T121-H195 WeakPolarHBondContact O-CA 3.18Å; T121-H195 PolarHBondContact O-CD2 3.24Å
196	I	81.5	Confident	74	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-121.6	113.5	-174	-61.3	-60.2	0	0	0	107.8	V117 E120 T121 Y180 T192 L201 L306	V117-I196 HydrophobicContact CG2-CG1 4.29Å; V117-I196 HydrophobicContact CG2-CG2 4.05Å; E120-I196 VanDerWaalsContact CA-O 3.3Å; E120-I196 WeakPolarHBondContact CA-O 3.47Å; E120-I196 PolarHBondContact N-O 3.19Å; T121-I196 PolarHBondContact N-O 3.37Å; T121-I196 PolarHBondContact O-N 2.85Å; T121-I196 WeakPolarHBondContact OG1-CB 3.42Å; Y180-I196 HydrophobicContact CD1-CD1 4.37Å; T192-I196 HydrophobicContact CG2-CD1 4.21Å; T192-I196 HydrophobicContact CG2-CG1 3.67Å; I196-L201 HydrophobicContact CB-CD1 4.31Å; I196-L201 HydrophobicContact CD1-CD1 3.97Å; I196-L201 HydrophobicContact CG2-CD1 3.69Å; I196-L306 HydrophobicContact CG2-CD1 3.62Å; I196-L306 HydrophobicContact CG2-CD2 4.39Å; I196-L306 HydrophobicContact CG2-CG 4.39Å
197	D	81	Confident	72.7	Confident	56 Å²	56	43.4 Å²	43.4	30%	0.299	22%	0.215	S	C	.	.			trans	-115.5	116.2	173.6	171.6	-30.2	0	0	0	106.4	E199 E200 L201	D197-E199 WeakPolarHBondContact OD1-CA 3.42Å; D197-E199 PolarHBondContact OD1-N 2.74Å; D197-E200 HydrophobicContact CB-CB 3.98Å; D197-E200 PolarHBondContact O-N 3.22Å; D197-E200 PolarHBondContact OD1-N 3Å; D197-L201 VanDerWaalsContact O-CB 3.27Å; D197-L201 WeakPolarHBondContact O-CB 3.34Å; D197-L201 WeakPolarHBondContact O-CD1 3.21Å; D197-L201 WeakPolarHBondContact O-CG 3.43Å; D197-L201 PolarHBondContact O-N 3.38Å
198	R	80.4	Confident	70.9	Confident	23 Å²	23	43.7 Å²	43.7	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-43.2	-176.4	170.8	-172.2	177.4	-95.5	-8.9	111.4	D119 E200 L201 C202 L306 D308	D119-R198 HydrophobicContact CB-CB 3.9Å; D119-R198 VanDerWaalsContact CG-CB 3.41Å; D119-R198 VanDerWaalsContact OD1-CB 3.24Å; D119-R198 WeakPolarHBondContact OD1-CB 3.12Å; D119-R198 PolarHBondContact OD1-N 2.79Å; R198-E200 VanDerWaalsContact C-N 3.35Å; R198-E200 PolarHBondContact O-N 3.23Å; R198-L201 PolarHBondContact O-N 2.89Å; R198-C202 WeakPolarHBondContact O-CB 3.27Å; R198-C202 PolarHBondContact O-N 2.84Å; R198-C202 PolarHBondContact O-SG 3.09Å; R198-L306 HydrophobicContact CB-CD2 3.89Å; R198-L306 HydrophobicContact CB-CG 4.39Å; R198-L306 HydrophobicContact CG-CD2 4.12Å; R198-D308 VanDerWaalsContact CD-OD1 3.28Å; R198-D308 WeakPolarHBondContact CD-OD1 3.31Å; R198-D308 IonicContact CZ-OD1 3.39Å; R198-D308 IonicContact NE-OD1 3.78Å; R198-D308 PolarHBondContact NE-OD1 3.27Å; R198-D308 IonicContact NH1-OD1 2.61Å; R198-D308 PolarHBondContact NH1-OD1 3.3Å; R198-D308 IonicContact NH2-OD1 3.46Å
199	E	75.5	Confident	69.1	Low	43 Å²	43	44.1 Å²	44.1	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-32.3	-177.7	-81.2	33.2	-100	0	0	111.4	D197 N203 L343	D197-E199 WeakPolarHBondContact OD1-CA 3.42Å; D197-E199 PolarHBondContact OD1-N 2.74Å; E199-N203 WeakPolarHBondContact O-CB 3.26Å; E199-N203 PolarHBondContact O-ND2 3.14Å; E199-L343 HydrophobicContact CG-CB 4.39Å
200	E	71.7	Confident	67.1	Low	95 Å²	95	50 Å²	50	44%	0.444	25%	0.252	S	S	.	.	H	α-helix	trans	-71.2	-53.3	170.1	-162.3	-164.6	113.7	0	0	111.1	D197 R198 N203 Q204	D197-E200 HydrophobicContact CB-CB 3.98Å; D197-E200 PolarHBondContact O-N 3.22Å; D197-E200 PolarHBondContact OD1-N 3Å; R198-E200 VanDerWaalsContact C-N 3.35Å; R198-E200 PolarHBondContact O-N 3.23Å; E200-N203 PolarHBondContact O-N 3.04Å; E200-Q204 WeakPolarHBondContact O-CG 3.36Å; E200-Q204 PolarHBondContact O-N 3.09Å; E200-Q204 PolarHBondContact OE1-NE2 2.81Å
201	L	72.6	Confident	64.8	Low	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-45.2	-169.7	-72.4	170.7	0	0	0	113.4	M177 Y180 I196 D197 R198 N203 Q204 A205 F231 L306	M177-L201 HydrophobicContact SD-CD2 4.48Å; Y180-L201 HydrophobicContact CD1-CD2 4.03Å; Y180-L201 HydrophobicContact CD2-CD2 3.61Å; Y180-L201 HydrophobicContact CE1-CD2 3.66Å; Y180-L201 HydrophobicContact CE2-CD2 3.15Å; Y180-L201 HydrophobicContact CG-CD2 4.03Å; I196-L201 HydrophobicContact CB-CD1 4.31Å; I196-L201 HydrophobicContact CD1-CD1 3.97Å; I196-L201 HydrophobicContact CG2-CD1 3.69Å; D197-L201 VanDerWaalsContact O-CB 3.27Å; D197-L201 WeakPolarHBondContact O-CB 3.34Å; D197-L201 WeakPolarHBondContact O-CD1 3.21Å; D197-L201 WeakPolarHBondContact O-CG 3.43Å; D197-L201 PolarHBondContact O-N 3.38Å; R198-L201 PolarHBondContact O-N 2.89Å; L201-N203 VanDerWaalsContact C-N 3.33Å; L201-N203 PolarHBondContact O-N 2.9Å; L201-Q204 PolarHBondContact O-N 2.89Å; L201-A205 PolarHBondContact O-N 2.83Å; L201-A205 VanDerWaalsContact O-N 3.09Å; L201-F231 HydrophobicContact CB-CZ 4.03Å; L201-L306 HydrophobicContact CB-CD2 4.24Å; L201-L306 HydrophobicContact CD1-CD2 4.07Å
202	C	69.9	Low	62.4	Low	10 Å²	10	54 Å²	54	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-35.6	-178	-62.9	0	0	0	0	110.8	R198 A205 M206 C222 C229	R198-C202 WeakPolarHBondContact O-CB 3.27Å; R198-C202 PolarHBondContact O-N 2.84Å; R198-C202 PolarHBondContact O-SG 3.09Å; C202-A205 PolarHBondContact O-N 2.87Å; C202-M206 PolarHBondContact O-N 3.3Å; C202-C222 VanDerWaalsContact CA-SG 3.53Å; C202-C222 WeakPolarHBondContact CB-SG 3.42Å; C202-C222 WeakPolarHBondContact O-CB 3.4Å; C202-C222 PolarHBondContact O-SG 2.83Å; C202-C229 HydrophobicContact CB-CB 4.21Å; C202-C229 WeakPolarHBondContact CB-SG 3.44Å; C202-C229 WeakPolarHBondContact SG-CB 3.42Å; C202-C229 CovalentContact SG-SG 2.04Å; C202-C229 PolarHBondContact SG-SG 3.4Å
203	N	62.1	Low	60.1	Low	57 Å²	57	57.5 Å²	57.5	31%	0.305	31%	0.31	S	S	.	.	H	α-helix	trans	-72.9	-31.1	173.2	-71	-48.5	0	0	0	112.6	E199 E200 L201 M206 Y563	E199-N203 WeakPolarHBondContact O-CB 3.26Å; E199-N203 PolarHBondContact O-ND2 3.14Å; E200-N203 PolarHBondContact O-N 3.04Å; L201-N203 VanDerWaalsContact C-N 3.33Å; L201-N203 PolarHBondContact O-N 2.9Å; N203-M206 WeakPolarHBondContact O-CB 3.12Å; N203-M206 PolarHBondContact O-N 3.46Å; N203-Y563 PolarHBondContact ND2-OH 3.47Å; N203-Y563 VanDerWaalsContact ND2-OH 3.1Å; N203-Y563 PolarHBondContact OD1-OH 2.92Å
204	Q	53.7	Low	58.2	Low	51 Å²	51	59 Å²	59	24%	0.238	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-36.3	171.9	-77.4	-179.2	31.2	0	0	113.1	M177 Y180 E200 L201 M206 I207	M177-Q204 HydrophobicContact CE-CB 3.75Å; Y180-Q204 PolarHBondContact OH-OE1 3.17Å; E200-Q204 WeakPolarHBondContact O-CG 3.36Å; E200-Q204 PolarHBondContact O-N 3.09Å; E200-Q204 PolarHBondContact OE1-NE2 2.81Å; L201-Q204 PolarHBondContact O-N 2.89Å; Q204-M206 VanDerWaalsContact C-N 3.28Å; Q204-M206 PolarHBondContact O-N 2.91Å; Q204-I207 PolarHBondContact O-N 3.47Å
205	A	47.5	Very low	56.4	Low	11 Å²	11	58.8 Å²	58.8	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-35.3	174.1	0	0	0	0	0	112.7	M177 L201 C202 I207 M208 T209 F231	M177-A205 HydrophobicContact CE-CB 4.19Å; L201-A205 PolarHBondContact O-N 2.83Å; L201-A205 VanDerWaalsContact O-N 3.09Å; C202-A205 PolarHBondContact O-N 2.87Å; A205-I207 PolarHBondContact O-N 2.85Å; A205-M208 PolarHBondContact O-N 2.81Å; A205-T209 PolarHBondContact O-N 2.83Å; A205-T209 PolarHBondContact O-OG1 2.95Å; A205-F231 HydrophobicContact CB-CD1 4.46Å; A205-F231 HydrophobicContact CB-CE1 3.91Å
206	M	41.2	Very low	54.3	Low	68 Å²	68	60.2 Å²	60.2	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-17.1	-179.9	-158.9	176.7	-172.9	0	0	113.8	C202 N203 Q204 T209 C222 I223	C202-M206 PolarHBondContact O-N 3.3Å; N203-M206 WeakPolarHBondContact O-CB 3.12Å; N203-M206 PolarHBondContact O-N 3.46Å; Q204-M206 VanDerWaalsContact C-N 3.28Å; Q204-M206 PolarHBondContact O-N 2.91Å; M206-T209 PolarHBondContact O-OG1 3.07Å; M206-C222 HydrophobicContact CB-CB 4.29Å; M206-I223 HydrophobicContact CE-CG1 4.23Å
207	I	42.7	Very low	52.4	Low	117 Å²	117	65 Å²	65	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-86.8	-33.9	177.1	-62	170.2	0	0	0	111.1	Q204 A205	Q204-I207 PolarHBondContact O-N 3.47Å; A205-I207 PolarHBondContact O-N 2.85Å
208	M	37	Very low	50.5	Low	64 Å²	64	65.3 Å²	65.3	32%	0.315	37%	0.365	S	S	.	.	H	α-helix	trans	-78.6	-26.5	-175.4	-63.2	179.3	-175.3	0	0	113	P176 M177 A205 I210 T211 S212	P176-M208 HydrophobicContact CB-CE 3.67Å; P176-M208 HydrophobicContact CB-SD 3.88Å; P176-M208 HydrophobicContact CG-CE 3.96Å; P176-M208 HydrophobicContact CG-SD 3.76Å; M177-M208 HydrophobicContact CE-SD 4.37Å; A205-M208 PolarHBondContact O-N 2.81Å; M208-I210 PolarHBondContact O-N 3Å; M208-T211 PolarHBondContact O-N 3.48Å; M208-S212 PolarHBondContact O-OG 2.9Å
209	T	38.1	Very low	48.5	Very low	51 Å²	51	72 Å²	72	31%	0.313	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-0.7	175.2	46	0	0	0	0	114.5	A205 M206	A205-T209 PolarHBondContact O-N 2.83Å; A205-T209 PolarHBondContact O-OG1 2.95Å; M206-T209 PolarHBondContact O-OG1 3.07Å
210	I	41	Very low	46.8	Very low	123 Å²	123	75 Å²	75	63%	0.631	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-20.5	174.7	-58.6	175.3	0	0	0	111.4	M208	M208-I210 PolarHBondContact O-N 3Å
211	T	38.2	Very low	45.3	Very low	88 Å²	88	71.3 Å²	71.3	54%	0.54	40%	0.396	S	S	.	.	S	Bend	trans	-127.1	23.6	-165.8	53.5	0	0	0	0	113.9	M208	M208-T211 PolarHBondContact O-N 3.48Å
212	S	37.1	Very low	43.9	Very low	56 Å²	56	72.2 Å²	72.2	39%	0.392	40%	0.403	S	S	.	.	S	Bend	trans	-152.1	148	178.8	56.1	0	0	0	0	113.3	M208 I214	M208-S212 PolarHBondContact O-OG 2.9Å; S212-I214 PolarHBondContact O-N 3.34Å; S212-I214 VanDerWaalsContact OG-CD1 3.26Å; S212-I214 WeakPolarHBondContact OG-CD1 3.28Å; S212-I214 WeakPolarHBondContact OG-CG1 3.11Å
213	S	39.2	Very low	42.5	Very low	73 Å²	73	75.1 Å²	75.1	51%	0.51	42%	0.417	S	S	.	.			trans	-78	47.3	-174.6	43	0	0	0	0	113.6
214	I	45.7	Very low	41.7	Very low	77 Å²	77	75 Å²	75	40%	0.395	42%	0.416	S	S	.	.			trans	-76.8	133.3	-178.2	-65.7	176.4	0	0	0	110.7	S212 L218	S212-I214 PolarHBondContact O-N 3.34Å; S212-I214 VanDerWaalsContact OG-CD1 3.26Å; S212-I214 WeakPolarHBondContact OG-CD1 3.28Å; S212-I214 WeakPolarHBondContact OG-CG1 3.11Å; I214-L218 HydrophobicContact CG2-CB 3.5Å; I214-L218 HydrophobicContact CG2-CD1 3.84Å; I214-L218 HydrophobicContact CG2-CG 4.32Å
215	P	43.9	Very low	41.5	Very low	84 Å²	84	77.1 Å²	77.1	55%	0.545	42%	0.422	S	S	.	.			trans	-57.8	147	178.4	-27.1	35.2	0	0	0	114.6	S217 L218	P215-S217 PolarHBondContact O-N 3.05Å; P215-L218 PolarHBondContact O-N 2.76Å
216	D	40	Very low	41.7	Very low	112 Å²	112	84.8 Å²	84.8	60%	0.599	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-58.7	-19.8	-175.1	-75.4	-29.2	0	0	0	115	L218 R219	D216-L218 PolarHBondContact O-N 2.81Å; D216-R219 VanDerWaalsContact O-CB 3.24Å; D216-R219 WeakPolarHBondContact O-CB 3.19Å; D216-R219 PolarHBondContact O-N 2.81Å; D216-R219 IonicContact OD1-CZ 3.11Å; D216-R219 IonicContact OD1-NE 2.66Å; D216-R219 PolarHBondContact OD1-NE 2.86Å; D216-R219 IonicContact OD1-NH2 3.71Å; D216-R219 PolarHBondContact OD1-NH2 3.01Å; D216-R219 IonicContact OD2-NH2 3.49Å
217	S	42.4	Very low	42.3	Very low	101 Å²	101	86.9 Å²	86.9	71%	0.706	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-67.6	-15.8	173.1	53	0	0	0	0	114.5	P215	P215-S217 PolarHBondContact O-N 3.05Å
218	L	40.5	Very low	43.2	Very low	63 Å²	63	86.1 Å²	86.1	33%	0.33	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-105.2	0.7	175.3	-74.7	164.4	0	0	0	112.8	I214 P215 D216 T220 P232	I214-L218 HydrophobicContact CG2-CB 3.5Å; I214-L218 HydrophobicContact CG2-CD1 3.84Å; I214-L218 HydrophobicContact CG2-CG 4.32Å; P215-L218 PolarHBondContact O-N 2.76Å; D216-L218 PolarHBondContact O-N 2.81Å; L218-T220 PolarHBondContact O-N 2.86Å; L218-P232 HydrophobicContact CD2-CG 4.2Å
219	R	39.5	Very low	44.8	Very low	163 Å²	163	83.4 Å²	83.4	62%	0.615	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	10.9	-175.3	-157.1	-161.5	-94.3	-120.4	5.1	114.5	D216	D216-R219 VanDerWaalsContact O-CB 3.24Å; D216-R219 WeakPolarHBondContact O-CB 3.19Å; D216-R219 PolarHBondContact O-N 2.81Å; D216-R219 IonicContact OD1-CZ 3.11Å; D216-R219 IonicContact OD1-NE 2.66Å; D216-R219 PolarHBondContact OD1-NE 2.86Å; D216-R219 IonicContact OD1-NH2 3.71Å; D216-R219 PolarHBondContact OD1-NH2 3.01Å; D216-R219 IonicContact OD2-NH2 3.49Å
220	T	39.5	Very low	46.3	Very low	106 Å²	106	83.6 Å²	83.6	65%	0.65	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	0.6	-170.2	30.6	0	0	0	0	114.9	L218 C222	L218-T220 PolarHBondContact O-N 2.86Å; T220-C222 PolarHBondContact O-N 3.32Å
221	C	38.7	Very low	47.8	Very low	17 Å²	17	78.2 Å²	78.2	12%	0.115	41%	0.408	C	S	.	.	S	Bend	trans	-72.1	124.5	177.2	-150.1	0	0	0	0	111.4	I223 I230	C221-I223 PolarHBondContact O-N 2.84Å; C221-I230 PolarHBondContact SG-O 3.22Å
222	C	43.6	Very low	49.3	Very low	24 Å²	24	75.9 Å²	75.9	16%	0.162	39%	0.394	C	S	.	.	S	Bend	trans	64.9	-8.3	165.7	-53.1	0	0	0	0	118.9	C202 M206 T220 N224 C229	C202-C222 VanDerWaalsContact CA-SG 3.53Å; C202-C222 WeakPolarHBondContact CB-SG 3.42Å; C202-C222 WeakPolarHBondContact O-CB 3.4Å; C202-C222 PolarHBondContact O-SG 2.83Å; M206-C222 HydrophobicContact CB-CB 4.29Å; T220-C222 PolarHBondContact O-N 3.32Å; C222-N224 PolarHBondContact O-N 2.87Å; C222-C229 VanDerWaalsContact SG-SG 3.61Å
223	I	40.2	Very low	51.1	Low	71 Å²	71	73.3 Å²	73.3	36%	0.364	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	119	164.5	-60.2	176.5	0	0	0	109.1	M206 C221	M206-I223 HydrophobicContact CE-CG1 4.23Å; C221-I223 PolarHBondContact O-N 2.84Å
224	N	45.1	Very low	52.6	Low	55 Å²	55	72.4 Å²	72.4	29%	0.294	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	35.3	167.4	-58.8	-12.9	0	0	0	119.2	C222 R226 F395	C222-N224 PolarHBondContact O-N 2.87Å; N224-R226 HydrophobicContact CB-CG 4.39Å; N224-R226 WeakPolarHBondContact O-CG 3.32Å; N224-R226 PolarHBondContact O-N 3.2Å; N224-F395 HydrophobicContact CB-CE1 3.5Å; N224-F395 VanDerWaalsContact CB-CE1 3.5Å; N224-F395 HydrophobicContact CB-CZ 3.5Å; N224-F395 WeakPolarHBondContact OD1-CE1 3.34Å
225	R	50.1	Low	53.8	Low	95 Å²	95	68.8 Å²	68.8	36%	0.358	35%	0.346	S	S	.	.	S	Bend	trans	49.9	30.2	175.4	-82.1	-164.7	176.1	-149.2	6.2	114.3	D342 N349	R225-D342 VanDerWaalsContact CZ-O 3.25Å; R225-D342 PolarHBondContact NH1-O 2.99Å; R225-D342 PolarHBondContact NH2-O 3.18Å; R225-N349 PolarHBondContact NH1-ND2 2.9Å
226	R	52.4	Low	54.9	Low	173 Å²	173	65.5 Å²	65.5	65%	0.653	32%	0.324	S	S	*	.			trans	-75.3	155.9	-176.3	-69.8	-178.3	169.6	174.7	-3.3	111.4	N224 E228	N224-R226 HydrophobicContact CB-CG 4.39Å; N224-R226 WeakPolarHBondContact O-CG 3.32Å; N224-R226 PolarHBondContact O-N 3.2Å; R226-E228 PolarHBondContact O-N 2.64Å
227	K	53.7	Low	56.2	Low	111 Å²	111	60.3 Å²	60.3	48%	0.483	30%	0.297	S	S	.	.	S	Bend	trans	-55.8	-13.4	-169.8	-84.2	176.6	167.8	-79.4	0	117.1	I346 D347	K227-I346 HydrophobicContact CD-CG2 4.49Å; K227-I346 HydrophobicContact CG-CG2 3.87Å; K227-D347 IonicContact NZ-OD1 3.09Å; K227-D347 PolarHBondContact NZ-OD1 2.62Å; K227-D347 IonicContact NZ-OD2 3.36Å; K227-D347 PolarHBondContact NZ-OD2 3.37Å
228	E	61	Low	57	Low	102 Å²	102	57.2 Å²	57.2	48%	0.477	27%	0.271	S	S	.	.			trans	-133	112.2	-167.7	-58.9	-173.1	127.1	0	0	110.3	R226 I230 K305	R226-E228 PolarHBondContact O-N 2.64Å; E228-I230 HydrophobicContact CB-CD1 4.01Å; E228-I230 HydrophobicContact CB-CG1 4.15Å; E228-K305 VanDerWaalsContact OE1-CE 3.3Å; E228-K305 WeakPolarHBondContact OE1-CE 3.41Å; E228-K305 IonicContact OE1-NZ 3.81Å; E228-K305 PolarHBondContact OE1-NZ 2.8Å
229	C	71	Confident	57.6	Low	6 Å²	6	55.6 Å²	55.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.8	169.4	-178.3	0	0	0	0	107.1	C202 C222 F231 K305 L306	C202-C229 HydrophobicContact CB-CB 4.21Å; C202-C229 WeakPolarHBondContact CB-SG 3.44Å; C202-C229 WeakPolarHBondContact SG-CB 3.42Å; C202-C229 CovalentContact SG-SG 2.04Å; C202-C229 PolarHBondContact SG-SG 3.4Å; C222-C229 VanDerWaalsContact SG-SG 3.61Å; C229-F231 VanDerWaalsContact SG-CE2 3.59Å; C229-F231 WeakPolarHBondContact SG-CZ 3.42Å; C229-K305 WeakPolarHBondContact O-CA 3.38Å; C229-L306 HydrophobicContact CB-CB 4.08Å; C229-L306 PolarHBondContact O-N 3.18Å
230	I	70.3	Confident	58.1	Low	56 Å²	56	54 Å²	54	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	-169.4	-60.2	176.3	0	0	0	110.2	C221 E228 H303 I304 K305	C221-I230 PolarHBondContact SG-O 3.22Å; E228-I230 HydrophobicContact CB-CD1 4.01Å; E228-I230 HydrophobicContact CB-CG1 4.15Å; I230-H303 HydrophobicContact CG2-CB 3.84Å; I230-I304 CarbonylContact C-O 3.43Å; I230-I304 VanDerWaalsContact CA-O 3.29Å; I230-I304 WeakPolarHBondContact CA-O 3.38Å; I230-K305 HydrophobicContact CG1-CB 4.33Å; I230-K305 HydrophobicContact CG1-CG 4.38Å
231	F	72.5	Confident	58.5	Low	10 Å²	10	53.3 Å²	53.3	4%	0.044	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.6	177.6	-49.5	-94.5	0	0	0	110	M177 L201 A205 C229 I304 L306	M177-F231 HydrophobicContact CB-CD1 4.39Å; M177-F231 HydrophobicContact CE-CE1 4.15Å; M177-F231 HydrophobicContact CG-CD1 3.87Å; M177-F231 HydrophobicContact CG-CE1 4.25Å; M177-F231 HydrophobicContact SD-CE1 4.34Å; L201-F231 HydrophobicContact CB-CZ 4.03Å; A205-F231 HydrophobicContact CB-CD1 4.46Å; A205-F231 HydrophobicContact CB-CE1 3.91Å; C229-F231 VanDerWaalsContact SG-CE2 3.59Å; C229-F231 WeakPolarHBondContact SG-CZ 3.42Å; F231-I304 PolarHBondContact N-O 3.39Å; F231-I304 PolarHBondContact O-N 2.87Å; F231-L306 HydrophobicContact CE2-CB 4.46Å; F231-L306 HydrophobicContact CE2-CD2 4.12Å; F231-L306 HydrophobicContact CZ-CD2 4.49Å
232	P	70.1	Confident	58.3	Low	39 Å²	39	52.5 Å²	52.5	25%	0.253	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.3	166.7	31	-33	0	0	0	110.1	N175 L218 T301 I302	N175-P232 PolarHBondContact ND2-O 2.82Å; L218-P232 HydrophobicContact CD2-CG 4.2Å; P232-T301 HydrophobicContact CB-CG2 3.56Å; P232-I302 CarbonylContact C-O 3.55Å; P232-I302 WeakPolarHBondContact CA-O 3.07Å
233	L	73.1	Confident	58	Low	2 Å²	2	59.6 Å²	59.6	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.8	172.2	-173.2	70.4	0	0	0	109.5	I170 A178 F181 L190 I235 T301 I302 I304	I170-L233 HydrophobicContact CD1-CD2 4.06Å; I170-L233 HydrophobicContact CG1-CD2 4.35Å; I170-L233 HydrophobicContact CG2-CD1 3.68Å; I170-L233 HydrophobicContact CG2-CG 4.24Å; A178-L233 HydrophobicContact CB-CD1 3.98Å; F181-L233 HydrophobicContact CB-CD2 4.18Å; L190-L233 HydrophobicContact CD1-CD2 3.94Å; L190-L233 HydrophobicContact CD2-CD2 4.2Å; L233-I235 HydrophobicContact CD2-CD1 4.34Å; L233-I235 HydrophobicContact CG-CG1 4.44Å; L233-T301 WeakPolarHBondContact O-CA 3.37Å; L233-I302 PolarHBondContact N-O 3.1Å; L233-I302 PolarHBondContact O-N 2.95Å; L233-I304 HydrophobicContact CB-CD1 3.97Å; L233-I304 HydrophobicContact CD2-CD1 3.86Å; L233-I304 HydrophobicContact CG-CD1 4.45Å
234	N	70.9	Confident	57.8	Low	53 Å²	53	59.7 Å²	59.7	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.5	-177.2	-70.1	-16.8	0	0	0	111	I171 T301	I171-N234 HydrophobicContact CB-CB 4.42Å; I171-N234 HydrophobicContact CD1-CB 4.49Å; I171-N234 PolarHBondContact N-O 2.88Å; N234-T301 WeakPolarHBondContact OD1-CG2 3.42Å; N234-T301 PolarHBondContact OD1-OG1 3.04Å
235	I	72.1	Confident	57.4	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.4	-176.8	-56.6	-173.9	0	0	0	109.5	L138 V168 N169 I183 L233 V237 F300 I302	L138-I235 HydrophobicContact CD1-CD1 3.89Å; L138-I235 HydrophobicContact CD2-CD1 3.88Å; V168-I235 HydrophobicContact CG1-CG2 3.45Å; V168-I235 VanDerWaalsContact CG1-CG2 3.45Å; N169-I235 WeakPolarHBondContact O-CA 3.23Å; I183-I235 HydrophobicContact CD1-CD1 4.32Å; I183-I235 HydrophobicContact CD1-CG2 4.35Å; L233-I235 HydrophobicContact CD2-CD1 4.34Å; L233-I235 HydrophobicContact CG-CG1 4.44Å; I235-V237 HydrophobicContact CG2-CG2 4.39Å; I235-F300 PolarHBondContact N-O 2.93Å; I235-F300 PolarHBondContact O-N 2.86Å; I235-I302 HydrophobicContact CD1-CD1 3.72Å; I235-I302 HydrophobicContact CD1-CG1 4.39Å
236	L	66.4	Low	56.7	Low	15 Å²	15	63.6 Å²	63.6	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.9	169.2	176.4	65.7	0	0	0	109.2	V168 N169 I171 Q238 F299 F713	V168-L236 WeakPolarHBondContact CA-O 3.29Å; N169-L236 PolarHBondContact N-O 2.9Å; N169-L236 PolarHBondContact O-N 3.43Å; I171-L236 HydrophobicContact CD1-CB 4.36Å; I171-L236 HydrophobicContact CG1-CB 4.42Å; L236-Q238 HydrophobicContact CD1-CG 4.38Å; L236-Q238 HydrophobicContact CD2-CG 4.08Å; L236-Q238 HydrophobicContact CG-CG 3.99Å; L236-F299 HydrophobicContact CD1-CD1 4.48Å; L236-F299 HydrophobicContact CD1-CD2 4.48Å; L236-F299 HydrophobicContact CD1-CE1 4.23Å; L236-F299 HydrophobicContact CD1-CE2 4.2Å; L236-F299 HydrophobicContact CD1-CZ 4.08Å; L236-F713 HydrophobicContact CD1-CZ 4.01Å; L236-F713 HydrophobicContact CD2-CD2 4.28Å; L236-F713 HydrophobicContact CD2-CE2 3.45Å; L236-F713 VanDerWaalsContact CD2-CE2 3.45Å; L236-F713 HydrophobicContact CD2-CZ 3.77Å
237	V	67.4	Low	55.6	Low	4 Å²	4	58.8 Å²	58.8	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.6	168.9	-179.5	0	0	0	0	108.4	I109 I166 V168 I235 S297 K298 F300	I109-V237 HydrophobicContact CD1-CG1 4.45Å; I166-V237 HydrophobicContact CG2-CG1 3.96Å; V168-V237 HydrophobicContact CG1-CG2 4.22Å; V168-V237 HydrophobicContact CG2-CG2 4.41Å; I235-V237 HydrophobicContact CG2-CG2 4.39Å; V237-S297 CarbonylContact O-C 3.49Å; V237-S297 WeakPolarHBondContact O-CA 3.45Å; V237-K298 PolarHBondContact N-O 3.45Å; V237-K298 PolarHBondContact O-N 3.33Å; V237-F300 HydrophobicContact CB-CD2 4.3Å; V237-F300 HydrophobicContact CB-CE2 4.05Å; V237-F300 HydrophobicContact CG2-CD2 3.81Å; V237-F300 HydrophobicContact CG2-CE2 3.9Å
238	Q	59.9	Low	54.3	Low	35 Å²	35	57.5 Å²	57.5	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133	174.2	-49.5	177.6	-62.4	0	0	109.3	I166 N167 L236 R296	I166-Q238 WeakPolarHBondContact CA-O 3.31Å; N167-Q238 HydrophobicContact CB-CB 4.31Å; N167-Q238 PolarHBondContact N-O 2.95Å; N167-Q238 PolarHBondContact ND2-OE1 2.91Å; N167-Q238 PolarHBondContact O-N 2.93Å; L236-Q238 HydrophobicContact CD1-CG 4.38Å; L236-Q238 HydrophobicContact CD2-CG 4.08Å; L236-Q238 HydrophobicContact CG-CG 3.99Å; Q238-R296 WeakPolarHBondContact CA-O 3.2Å
239	T	53.2	Low	52.8	Low	29 Å²	29	58.6 Å²	58.6	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.4	172.6	65.4	0	0	0	0	111.8	I109 F165 I166 S295 R296	I109-T239 HydrophobicContact CD1-CG2 4.35Å; F165-T239 WeakPolarHBondContact O-CA 3.31Å; I166-T239 HydrophobicContact CG1-CG2 4.26Å; I166-T239 HydrophobicContact CG2-CG2 4.33Å; T239-S295 CarbonylContact O-C 3.16Å; T239-S295 WeakPolarHBondContact O-CA 3.18Å; T239-R296 PolarHBondContact N-O 3.03Å; T239-R296 PolarHBondContact O-N 3.15Å
240	R	48.2	Very low	50.7	Low	131 Å²	131	64.3 Å²	64.3	49%	0.494	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128	173.2	176	174.2	166.2	167.4	-5.2	109.2	F165 D246	F165-R240 PolarHBondContact N-O 3.48Å; F165-R240 PolarHBondContact O-N 3.41Å; R240-D246 IonicContact CZ-OD2 3.86Å; R240-D246 IonicContact NE-OD2 3.52Å; R240-D246 IonicContact NH2-OD1 3.5Å; R240-D246 IonicContact NH2-OD2 3.17Å; R240-D246 PolarHBondContact NH2-OD2 2.89Å
241	I	47.9	Very low	48.8	Very low	91 Å²	91	68.8 Å²	68.8	47%	0.467	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.8	171.8	-57	172	0	0	0	107.2	L164	L164-I241 HydrophobicContact CD1-CG1 4.1Å
242	G	35.9	Very low	46.6	Very low	0 Å²	0	74.7 Å²	74.7	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.1	176.9	0	0	0	0	0	111.6	K163	K163-G242 PolarHBondContact N-O 3.24Å; K163-G242 WeakPolarHBondContact O-CA 3.01Å; K163-G242 PolarHBondContact O-N 3.01Å
243	R	36	Very low	44.8	Very low	172 Å²	172	78.7 Å²	78.7	65%	0.649	44%	0.438	S	S	*	.			trans	-75.2	155.2	157.5	-70.5	-177	174.6	163.1	1.6	108.8	E162 D245 D246	E162-R243 IonicContact OE1-NE 3.51Å; E162-R243 PolarHBondContact OE1-NE 2.67Å; R243-D245 PolarHBondContact O-N 2.88Å; R243-D246 PolarHBondContact O-N 2.63Å
244	D	36.5	Very low	42.7	Very low	74 Å²	74	81 Å²	81	40%	0.396	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-66.1	-3.2	-172.3	-94.2	-39.3	0	0	0	114.6	K163	K163-D244 IonicContact NZ-OD1 3.77Å; K163-D244 PolarHBondContact NZ-OD1 3.49Å
245	D	37.9	Very low	40.6	Very low	129 Å²	129	82 Å²	82	69%	0.69	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-72.3	-27.6	179.5	-48.8	-60.6	0	0	0	113.1	R243 A247	R243-D245 PolarHBondContact O-N 2.88Å; D245-A247 PolarHBondContact O-N 2.89Å
246	D	34.4	Very low	38.7	Very low	102 Å²	102	87.8 Å²	87.8	55%	0.545	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-69.8	6.5	-176.4	-85.6	-16.3	0	0	0	114.4	R240 R243	R240-D246 IonicContact CZ-OD2 3.86Å; R240-D246 IonicContact NE-OD2 3.52Å; R240-D246 IonicContact NH2-OD1 3.5Å; R240-D246 IonicContact NH2-OD2 3.17Å; R240-D246 PolarHBondContact NH2-OD2 2.89Å; R243-D246 PolarHBondContact O-N 2.63Å
247	A	28.9	Very low	36.8	Very low	72 Å²	72	92.4 Å²	92.4	60%	0.595	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-140.6	12.7	-167	0	0	0	0	0	117.4	D245	D245-A247 PolarHBondContact O-N 2.89Å
248	A	27	Very low	34.9	Very low	85 Å²	85	100 Å²	100	70%	0.702	58%	0.579	S	S	*	*			trans	-156.6	69.2	-179.3	0	0	0	0	0	116.7
249	T	29.6	Very low	33.4	Very low	125 Å²	125	102.5 Å²	102.5	77%	0.767	60%	0.601	S	S	*	*			trans	-113.6	34.3	175.8	43.9	0	0	0	0	115.3
250	T	26.7	Very low	32	Very low	125 Å²	125	106.3 Å²	106.3	77%	0.767	63%	0.629	S	S	*	*			trans	-119.4	87.6	159.7	58.3	0	0	0	0	110.5
251	N	29.3	Very low	31	Very low	151 Å²	151	105.8 Å²	105.8	81%	0.807	64%	0.64	S	S	*	*	S	Bend	trans	168.8	101.5	146.1	-86	-27.6	0	0	0	113
252	T	27.2	Very low	30.1	Very low	134 Å²	134	109.5 Å²	109.5	82%	0.822	66%	0.659	S	S	*	*			trans	-1.6	113.3	151.2	56.1	0	0	0	0	119.6
253	V	31.5	Very low	29.6	Very low	123 Å²	123	115.2 Å²	115.2	75%	0.745	70%	0.699	S	S	*	*			trans	-141.4	140	149.5	171	0	0	0	0	108.2	F1359	V253-F1359 HydrophobicContact CB-CZ 4.09Å; V253-F1359 HydrophobicContact CG1-CE2 3.95Å; V253-F1359 HydrophobicContact CG1-CZ 3.71Å; V253-F1359 HydrophobicContact CG2-CE2 4.49Å; V253-F1359 HydrophobicContact CG2-CZ 4.1Å
254	S	29	Very low	29.1	Very low	51 Å²	51	115.9 Å²	115.9	36%	0.357	71%	0.707	S	S	.	*			trans	-119.2	139.1	-168.8	56.7	0	0	0	0	115.1	F1359 N1360	S254-F1359 VanDerWaalsContact OG-CE1 3.3Å; S254-F1359 WeakPolarHBondContact OG-CE1 3.42Å; S254-N1360 PolarHBondContact OG-OD1 3.35Å
255	S	28.3	Very low	28.7	Very low	72 Å²	72	123.2 Å²	123.2	50%	0.503	73%	0.731	S	S	.	*			trans	53.2	107.6	146.1	66	0	0	0	0	120
256	S	30.7	Very low	28.3	Very low	123 Å²	123	125 Å²	125	86%	0.86	74%	0.739	S	S	*	*			trans	-159.1	115.6	131.5	58.9	0	0	0	0	110.5
257	S	27.5	Very low	27.8	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	76%	0.756	S	S	*	*			trans	-78.9	133.3	166.2	52.1	0	0	0	0	110
258	D	27	Very low	27.8	Very low	162 Å²	162	131.8 Å²	131.8	87%	0.866	76%	0.756	S	S	*	*			trans	-162.4	151.8	143	-120.8	-26.3	0	0	0	114.4
259	S	27.9	Very low	27.9	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	77%	0.765	S	S	*	*			trans	35.4	118.6	163.2	-161	0	0	0	0	121	T261	S259-T261 PolarHBondContact O-N 3.35Å; S259-T261 VanDerWaalsContact O-N 3.14Å
260	S	25.6	Very low	27.7	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	76%	0.764	S	S	*	*			trans	-34	110.3	142.7	49.3	0	0	0	0	114.6
261	T	26.1	Very low	27.8	Very low	119 Å²	119	142.2 Å²	142.2	73%	0.73	77%	0.765	S	S	*	*			trans	177.4	103.8	140.3	31.5	0	0	0	0	110	S259	S259-T261 PolarHBondContact O-N 3.35Å; S259-T261 VanDerWaalsContact O-N 3.14Å
262	I	28.4	Very low	27.7	Very low	169 Å²	169	140.7 Å²	140.7	87%	0.867	76%	0.757	S	S	*	*			trans	-163.2	34.8	154.6	-101.2	147.1	0	0	0	110.7	K264	I262-K264 PolarHBondContact O-N 3.39Å; I262-K264 VanDerWaalsContact O-N 3.07Å
263	S	26.7	Very low	27.8	Very low	120 Å²	120	142.9 Å²	142.9	84%	0.839	76%	0.757	S	S	*	*			trans	-84.3	46.2	172.5	49.4	0	0	0	0	112.6
264	K	25.9	Very low	27.5	Very low	187 Å²	187	145.5 Å²	145.5	81%	0.813	76%	0.761	S	S	*	*			trans	-169.8	112.2	176	-114.6	168.5	-175.1	170.8	0	111.2	I262	I262-K264 PolarHBondContact O-N 3.39Å; I262-K264 VanDerWaalsContact O-N 3.07Å
265	Y	26.7	Very low	27.5	Very low	228 Å²	228	147.7 Å²	147.7	89%	0.894	78%	0.776	S	S	*	*			trans	-175.1	156.6	134.8	-104	-66.6	0	0	0	109.8
266	L	30	Very low	27.4	Very low	166 Å²	166	149.2 Å²	149.2	87%	0.869	79%	0.787	S	S	*	*			trans	67.9	52.7	179.3	-54.2	179.9	0	0	0	116.5
267	F	25.1	Very low	27.2	Very low	203 Å²	203	152.6 Å²	152.6	89%	0.89	79%	0.787	S	S	*	*			trans	-103.9	168.9	138.6	-124.2	-92.1	0	0	0	109.4
268	D	27.6	Very low	27.1	Very low	114 Å²	114	152.3 Å²	152.3	61%	0.61	78%	0.78	S	S	*	*			trans	64.1	103.3	177.9	-101	-32.6	0	0	0	117.9	R270	D268-R270 WeakPolarHBondContact OD1-CG 3.34Å; D268-R270 IonicContact OD1-NE 3.17Å
269	K	29.4	Very low	27.1	Very low	202 Å²	202	149.6 Å²	149.6	88%	0.878	77%	0.774	S	S	*	*				-144.6	85	129.3	-144.8	177.5	-169.4	-178.5	0	111.4
270	R	25.5	Very low	27.1	Very low	198 Å²	198	151.8 Å²	151.8	75%	0.747	78%	0.779	S	S	*	*			trans	-58.4	135.8	170.2	-55.8	178.4	-167.2	-161.5	-1.5	110.3	D268	D268-R270 WeakPolarHBondContact OD1-CG 3.34Å; D268-R270 IonicContact OD1-NE 3.17Å
271	I	29.8	Very low	27.2	Very low	153 Å²	153	152.3 Å²	152.3	79%	0.785	78%	0.777	S	S	*	*			trans	-128.8	115.2	153.1	-63.9	-176.9	0	0	0	106.3
272	N	25.5	Very low	27.3	Very low	120 Å²	120	151.5 Å²	151.5	64%	0.642	78%	0.783	S	S	*	*			trans	-75.4	138.5	178.6	-52.1	-13.2	0	0	0	108.9
273	H	29.9	Very low	27.2	Very low	180 Å²	180	150.2 Å²	150.2	83%	0.833	78%	0.783	S	S	*	*			trans	-150.8	83.8	146.7	-116.3	-66.6	0	0	0	110.8
274	E	26	Very low	27.1	Very low	178 Å²	178	149.3 Å²	149.3	83%	0.832	78%	0.777	S	S	*	*			trans	-65.2	133.8	157	-59.9	169.7	119.6	0	0	108.5
275	S	27.4	Very low	27.1	Very low	96 Å²	96	147.9 Å²	147.9	67%	0.671	78%	0.778	S	S	*	*			trans	174.6	122.6	130.4	34.8	0	0	0	0	112.4
276	S	26.2	Very low	27.1	Very low	104 Å²	104	145.1 Å²	145.1	73%	0.727	78%	0.777	S	S	*	*			trans	65.3	137	150.2	64	0	0	0	0	120.3
277	F	26.9	Very low	26.9	Very low	195 Å²	195	142.9 Å²	142.9	86%	0.855	78%	0.775	S	S	*	*			cis	-155.2	165.7	-12.2	-138.9	-105.1	0	0	0	110.1
278	T	25.7	Very low	27	Very low	107 Å²	107	138.9 Å²	138.9	66%	0.656	77%	0.772	S	S	*	*			trans	-53	156.4	171.6	57.3	0	0	0	0	112.2
279	S	27.6	Very low	26.9	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	79%	0.788	S	S	*	*			cis	-172.7	164.2	44	59	0	0	0	0	110
280	D	28.1	Very low	26.7	Very low	134 Å²	134	134 Å²	134	72%	0.717	78%	0.777	S	S	*	*			cis	-163.7	176.8	-3.8	-129.9	-55.4	0	0	0	113.4
281	T	27	Very low	26.7	Very low	121 Å²	121	133 Å²	133	74%	0.742	78%	0.784	S	S	*	*			trans	37.6	95.5	157.1	62.5	0	0	0	0	121.6
282	A	29.2	Very low	26.7	Very low	103 Å²	103	128.1 Å²	128.1	85%	0.851	76%	0.764	S	S	*	*				-166.3	123	124.6	0	0	0	0	0	109.1
283	T	24.9	Very low	27	Very low	142 Å²	142	126.1 Å²	126.1	87%	0.871	76%	0.759	S	S	*	*			trans	-126.9	109.2	-163.4	53.2	0	0	0	0	115.2
284	S	24.8	Very low	27.3	Very low	101 Å²	101	119.9 Å²	119.9	71%	0.706	74%	0.736	S	S	*	*			trans	-166	141.1	150	52.2	0	0	0	0	111.6
285	D	26.4	Very low	28.3	Very low	156 Å²	156	115.4 Å²	115.4	83%	0.834	72%	0.724	S	S	*	*			trans	66.1	51.5	152.3	-51.2	-14.9	0	0	0	121
286	I	27.1	Very low	29.5	Very low	170 Å²	170	119.3 Å²	119.3	87%	0.872	72%	0.724	S	S	*	*			trans	-137.6	85	154.8	-50.3	179.5	0	0	0	111.6
287	S	24.7	Very low	30.9	Very low	119 Å²	119	116.3 Å²	116.3	83%	0.832	70%	0.703	S	S	*	*			trans	-164	70.8	171.1	62.2	0	0	0	0	116.6
288	S	27.6	Very low	32.5	Very low	119 Å²	119	112.9 Å²	112.9	83%	0.832	69%	0.688	S	S	*	*			trans	-169.4	63.1	158.2	61.4	0	0	0	0	114.1	G290	S288-G290 PolarHBondContact O-N 3.04Å
289	T	25.7	Very low	34.3	Very low	153 Å²	153	111.2 Å²	111.2	94%	0.939	67%	0.672	S	S	*	*			trans	-77.1	65.8	175.5	34	0	0	0	0	112.9
290	G	24.8	Very low	36.2	Very low	62 Å²	62	107.2 Å²	107.2	64%	0.639	64%	0.641	S	S	*	*			trans	-87.1	133.5	172.4	0	0	0	0	0	112.8	S288 S292	S288-G290 PolarHBondContact O-N 3.04Å; G290-S292 PolarHBondContact O-N 3.24Å; G290-S292 VanDerWaalsContact O-N 3.08Å
291	I	26.4	Very low	38	Very low	176 Å²	176	103.7 Å²	103.7	90%	0.903	62%	0.624	S	S	*	*			trans	-77.8	93.7	-179	-57.3	169.5	0	0	0	109.4
292	S	28.8	Very low	40.2	Very low	51 Å²	51	97.9 Å²	97.9	36%	0.357	59%	0.589	S	S	.	*			trans	-92.7	142.2	178	56	0	0	0	0	112.3	G290 S294	G290-S292 PolarHBondContact O-N 3.24Å; G290-S292 VanDerWaalsContact O-N 3.08Å; S292-S294 PolarHBondContact O-N 2.79Å
293	S	32	Very low	42.5	Very low	78 Å²	78	95.9 Å²	95.9	55%	0.545	56%	0.562	S	S	.	*			trans	-79	38.6	176.1	57.8	0	0	0	0	112.8
294	S	36.5	Very low	45.1	Very low	49 Å²	49	89.1 Å²	89.1	34%	0.343	52%	0.52	S	S	.	.			trans	-71.1	127.8	179.4	63.4	0	0	0	0	110.6	S292 R296	S292-S294 PolarHBondContact O-N 2.79Å; S294-R296 PolarHBondContact O-N 2.98Å; S294-R296 VanDerWaalsContact O-N 3.1Å
295	S	46.2	Very low	47.8	Very low	84 Å²	84	85.9 Å²	85.9	59%	0.587	49%	0.494	S	S	*	.			trans	-66.2	108	169.8	-62.3	0	0	0	0	109.3	T239 S297	T239-S295 CarbonylContact O-C 3.16Å; T239-S295 WeakPolarHBondContact O-CA 3.18Å; S295-S297 PolarHBondContact O-N 3.49Å
296	R	52.5	Low	50.4	Low	178 Å²	178	78.7 Å²	78.7	67%	0.672	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.3	-175.3	-78.3	-176.4	170.3	-171.7	-5.7	110.4	Q238 T239 S294	Q238-R296 WeakPolarHBondContact CA-O 3.2Å; T239-R296 PolarHBondContact N-O 3.03Å; T239-R296 PolarHBondContact O-N 3.15Å; S294-R296 PolarHBondContact O-N 2.98Å; S294-R296 VanDerWaalsContact O-N 3.1Å
297	S	56.9	Low	52.9	Low	41 Å²	41	73 Å²	73	29%	0.287	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.7	166.6	-64.2	0	0	0	0	109.9	V237 S295	V237-S297 CarbonylContact O-C 3.49Å; V237-S297 WeakPolarHBondContact O-CA 3.45Å; S295-S297 PolarHBondContact O-N 3.49Å
298	K	59.4	Low	55.5	Low	123 Å²	123	68 Å²	68	54%	0.535	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.6	171.6	-175.2	167.6	173.5	-179.6	0	111	V237 F300	V237-K298 PolarHBondContact N-O 3.45Å; V237-K298 PolarHBondContact O-N 3.33Å; K298-F300 HydrophobicContact CB-CE2 3.88Å; K298-F300 HydrophobicContact CB-CZ 4.35Å; K298-F300 HydrophobicContact CD-CE1 4.05Å; K298-F300 HydrophobicContact CD-CE2 3.9Å; K298-F300 HydrophobicContact CD-CZ 3.48Å; K298-F300 VanDerWaalsContact CD-CZ 3.48Å; K298-F300 HydrophobicContact CG-CD2 4.22Å; K298-F300 HydrophobicContact CG-CE1 4.41Å; K298-F300 HydrophobicContact CG-CE2 3.65Å; K298-F300 HydrophobicContact CG-CZ 3.78Å
299	F	63.3	Low	58.1	Low	71 Å²	71	65 Å²	65	31%	0.311	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142	175.2	-63.8	-99.5	0	0	0	110.2	I171 L236 F713 I801	I171-F299 HydrophobicContact CD1-CD1 3.77Å; I171-F299 HydrophobicContact CD1-CE1 3.6Å; L236-F299 HydrophobicContact CD1-CD1 4.48Å; L236-F299 HydrophobicContact CD1-CD2 4.48Å; L236-F299 HydrophobicContact CD1-CE1 4.23Å; L236-F299 HydrophobicContact CD1-CE2 4.2Å; L236-F299 HydrophobicContact CD1-CZ 4.08Å; F299-F713 HydrophobicContact CE2-CE1 4.16Å; F299-F713 AromaticContact CZ-CD1 3.94Å; F299-F713 HydrophobicContact CZ-CD1 3.94Å; F299-F713 AromaticContact CZ-CE1 3.81Å; F299-F713 HydrophobicContact CZ-CE1 3.81Å; F299-F713 HydrophobicContact CZ-CZ 4.47Å; F299-I801 HydrophobicContact CD2-CG2 4.24Å; F299-I801 HydrophobicContact CE2-CD1 3.88Å; F299-I801 HydrophobicContact CE2-CG2 4.14Å; F299-I801 HydrophobicContact CZ-CD1 4.18Å
300	F	68	Low	60.9	Low	20 Å²	20	59.4 Å²	59.4	9%	0.088	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.7	173.1	-62.7	-90.4	0	0	0	109.4	L111 Y113 I235 V237 K298	L111-F300 HydrophobicContact CD1-CB 4.29Å; L111-F300 HydrophobicContact CD1-CD1 3.42Å; L111-F300 VanDerWaalsContact CD1-CD1 3.42Å; L111-F300 HydrophobicContact CD1-CD2 3.6Å; L111-F300 HydrophobicContact CD1-CE1 3.35Å; L111-F300 HydrophobicContact CD1-CE2 3.54Å; L111-F300 HydrophobicContact CD1-CG 3.51Å; L111-F300 HydrophobicContact CD1-CZ 3.4Å; Y113-F300 HydrophobicContact CE1-CD1 4.45Å; I235-F300 PolarHBondContact N-O 2.93Å; I235-F300 PolarHBondContact O-N 2.86Å; V237-F300 HydrophobicContact CB-CD2 4.3Å; V237-F300 HydrophobicContact CB-CE2 4.05Å; V237-F300 HydrophobicContact CG2-CD2 3.81Å; V237-F300 HydrophobicContact CG2-CE2 3.9Å; K298-F300 HydrophobicContact CB-CE2 3.88Å; K298-F300 HydrophobicContact CB-CZ 4.35Å; K298-F300 HydrophobicContact CD-CE1 4.05Å; K298-F300 HydrophobicContact CD-CE2 3.9Å; K298-F300 HydrophobicContact CD-CZ 3.48Å; K298-F300 VanDerWaalsContact CD-CZ 3.48Å; K298-F300 HydrophobicContact CG-CD2 4.22Å; K298-F300 HydrophobicContact CG-CE1 4.41Å; K298-F300 HydrophobicContact CG-CE2 3.65Å; K298-F300 HydrophobicContact CG-CZ 3.78Å
301	T	65.4	Low	63.6	Low	60 Å²	60	60.3 Å²	60.3	37%	0.368	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.2	169.5	-56.5	0	0	0	0	108.3	P232 L233 N234	P232-T301 HydrophobicContact CB-CG2 3.56Å; L233-T301 WeakPolarHBondContact O-CA 3.37Å; N234-T301 WeakPolarHBondContact OD1-CG2 3.42Å; N234-T301 PolarHBondContact OD1-OG1 3.04Å
302	I	74.7	Confident	66.1	Low	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.4	176.1	-65	-175.8	0	0	0	108.7	L111 L138 P232 L233 I235	L111-I302 HydrophobicContact CD2-CD1 4.29Å; L138-I302 HydrophobicContact CD2-CD1 3.25Å; P232-I302 CarbonylContact C-O 3.55Å; P232-I302 WeakPolarHBondContact CA-O 3.07Å; L233-I302 PolarHBondContact N-O 3.1Å; L233-I302 PolarHBondContact O-N 2.95Å; I235-I302 HydrophobicContact CD1-CD1 3.72Å; I235-I302 HydrophobicContact CD1-CG1 4.39Å
303	H	75.8	Confident	68.7	Low	60 Å²	60	53.7 Å²	53.7	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.8	176.2	-67.2	-84.3	0	0	0	109.8	Y113 H114 C115 I230	Y113-H303 PolarHBondContact O-N 2.82Å; H114-H303 WeakPolarHBondContact CA-O 2.88Å; C115-H303 PolarHBondContact N-O 2.59Å; I230-H303 HydrophobicContact CG2-CB 3.84Å
304	I	80.6	Confident	71.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.7	178.6	-58	176.1	0	0	0	108.6	C115 V117 L127 F181 L190 I230 F231 L233	C115-I304 CarbonylContact O-C 3.02Å; C115-I304 WeakPolarHBondContact O-CA 3.46Å; V117-I304 HydrophobicContact CG1-CG2 3.64Å; L127-I304 HydrophobicContact CD2-CD1 4.23Å; L127-I304 HydrophobicContact CD2-CG1 4.31Å; L127-I304 HydrophobicContact CD2-CG2 3.72Å; F181-I304 HydrophobicContact CD1-CD1 3.92Å; F181-I304 HydrophobicContact CD2-CD1 3.71Å; F181-I304 HydrophobicContact CE1-CD1 3.97Å; F181-I304 HydrophobicContact CE1-CG2 3.94Å; F181-I304 HydrophobicContact CE2-CD1 3.75Å; F181-I304 HydrophobicContact CG-CD1 3.8Å; F181-I304 HydrophobicContact CZ-CD1 3.88Å; F181-I304 HydrophobicContact CZ-CG2 3.82Å; L190-I304 HydrophobicContact CD2-CD1 4.02Å; L190-I304 HydrophobicContact CD2-CG1 4.45Å; I230-I304 CarbonylContact C-O 3.43Å; I230-I304 VanDerWaalsContact CA-O 3.29Å; I230-I304 WeakPolarHBondContact CA-O 3.38Å; F231-I304 PolarHBondContact N-O 3.39Å; F231-I304 PolarHBondContact O-N 2.87Å; L233-I304 HydrophobicContact CB-CD1 3.97Å; L233-I304 HydrophobicContact CD2-CD1 3.86Å; L233-I304 HydrophobicContact CG-CD1 4.45Å
305	K	80.8	Confident	73.7	Confident	34 Å²	34	55 Å²	55	15%	0.148	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.3	-173.3	179	169.3	169.7	172.7	0	111	C115 I116 V117 E130 E228 C229 I230	C115-K305 PolarHBondContact O-N 3.28Å; I116-K305 WeakPolarHBondContact CA-O 3.47Å; I116-K305 HydrophobicContact CG1-CB 4.38Å; V117-K305 PolarHBondContact N-O 3.42Å; E130-K305 WeakPolarHBondContact OE1-CD 3.31Å; E130-K305 WeakPolarHBondContact OE1-CE 3.37Å; E130-K305 IonicContact OE1-NZ 2.59Å; E130-K305 PolarHBondContact OE1-NZ 3.13Å; E228-K305 VanDerWaalsContact OE1-CE 3.3Å; E228-K305 WeakPolarHBondContact OE1-CE 3.41Å; E228-K305 IonicContact OE1-NZ 3.81Å; E228-K305 PolarHBondContact OE1-NZ 2.8Å; C229-K305 WeakPolarHBondContact O-CA 3.38Å; I230-K305 HydrophobicContact CG1-CB 4.33Å; I230-K305 HydrophobicContact CG1-CG 4.38Å
306	L	80.8	Confident	75.6	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129	-179.8	-137.6	57.5	0	0	0	110.5	V117 I196 R198 L201 C229 F231	V117-L306 HydrophobicContact CB-CD1 4.3Å; V117-L306 HydrophobicContact CG1-CD1 3.5Å; V117-L306 HydrophobicContact CG2-CD1 4.13Å; V117-L306 WeakPolarHBondContact O-CA 3.13Å; I196-L306 HydrophobicContact CG2-CD1 3.62Å; I196-L306 HydrophobicContact CG2-CD2 4.39Å; I196-L306 HydrophobicContact CG2-CG 4.39Å; R198-L306 HydrophobicContact CB-CD2 3.89Å; R198-L306 HydrophobicContact CB-CG 4.39Å; R198-L306 HydrophobicContact CG-CD2 4.12Å; L201-L306 HydrophobicContact CB-CD2 4.24Å; L201-L306 HydrophobicContact CD1-CD2 4.07Å; C229-L306 HydrophobicContact CB-CB 4.08Å; C229-L306 PolarHBondContact O-N 3.18Å; F231-L306 HydrophobicContact CE2-CB 4.46Å; F231-L306 HydrophobicContact CE2-CD2 4.12Å; F231-L306 HydrophobicContact CZ-CD2 4.49Å
307	I	81.1	Confident	76.7	Confident	52 Å²	52	44.5 Å²	44.5	27%	0.267	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.5	179.9	-61.5	-174.3	0	0	0	111	I116 V117 Y118 D119	I116-I307 HydrophobicContact CD1-CD1 4.06Å; I116-I307 HydrophobicContact CG1-CD1 4.3Å; I116-I307 HydrophobicContact CG2-CD1 3.5Å; I116-I307 HydrophobicContact CG2-CG1 4.03Å; V117-I307 PolarHBondContact O-N 2.76Å; Y118-I307 CarbonylContact C-O 3.56Å; Y118-I307 WeakPolarHBondContact CA-O 3.41Å; Y118-I307 HydrophobicContact CD1-CB 3.84Å; Y118-I307 HydrophobicContact CD1-CG2 3.74Å; Y118-I307 HydrophobicContact CE1-CB 4.15Å; Y118-I307 HydrophobicContact CE1-CD1 4.29Å; Y118-I307 HydrophobicContact CE1-CG2 3.79Å; D119-I307 WeakPolarHBondContact CB-O 3.24Å; D119-I307 PolarHBondContact N-O 3.35Å
308	D	79.3	Confident	77.7	Confident	14 Å²	14	45.8 Å²	45.8	8%	0.075	23%	0.233	C	C	.	.			trans	-67.2	156.4	-178.9	-165	65.5	0	0	0	114.8	R198 C345 Y348	R198-D308 VanDerWaalsContact CD-OD1 3.28Å; R198-D308 WeakPolarHBondContact CD-OD1 3.31Å; R198-D308 IonicContact CZ-OD1 3.39Å; R198-D308 IonicContact NE-OD1 3.78Å; R198-D308 PolarHBondContact NE-OD1 3.27Å; R198-D308 IonicContact NH1-OD1 2.61Å; R198-D308 PolarHBondContact NH1-OD1 3.3Å; R198-D308 IonicContact NH2-OD1 3.46Å; D308-C345 HydrophobicContact CB-CB 3.87Å; D308-C345 VanDerWaalsContact CG-CB 3.45Å; D308-C345 PolarHBondContact OD1-N 3.27Å; D308-C345 WeakPolarHBondContact OD2-CA 3.32Å; D308-C345 WeakPolarHBondContact OD2-CB 3.48Å; D308-C345 PolarHBondContact OD2-N 3.31Å; D308-C345 PolarHBondContact OD2-SG 3.27Å; D308-Y348 WeakPolarHBondContact OD2-CD2 3.2Å
309	I	81.8	Confident	78.5	Confident	55 Å²	55	44.6 Å²	44.6	28%	0.282	24%	0.238	S	C	.	.			trans	-132.7	164.3	168.6	63.6	172.4	0	0	0	110.2	D119 E120 D311	D119-I309 HydrophobicContact CB-CG1 4.25Å; E120-I309 HydrophobicContact CB-CD1 3.91Å; E120-I309 HydrophobicContact CG-CD1 4.38Å; I309-D311 HydrophobicContact CD1-CB 4.21Å; I309-D311 HydrophobicContact CG1-CB 4.24Å; I309-D311 PolarHBondContact O-N 3.19Å
310	N	83	Confident	79.4	Confident	35 Å²	35	48.3 Å²	48.3	19%	0.187	26%	0.256	C	S	.	.			trans	-92.5	74.7	-179.5	-160.9	160.7	0	0	0	111.3	N312 D344 Y348 G455	N310-N312 PolarHBondContact ND2-O 3.28Å; N310-D344 WeakPolarHBondContact CA-OD2 3.36Å; N310-D344 PolarHBondContact ND2-OD2 2.8Å; N310-Y348 HydrophobicContact CB-CD1 3.65Å; N310-Y348 HydrophobicContact CB-CD2 3.89Å; N310-Y348 HydrophobicContact CB-CE1 4.03Å; N310-Y348 HydrophobicContact CB-CE2 4.27Å; N310-Y348 HydrophobicContact CB-CG 3.59Å; N310-Y348 WeakPolarHBondContact OD1-CD1 3.37Å; N310-G455 WeakPolarHBondContact OD1-CA 3.07Å
311	D	82.8	Confident	80	Confident	82 Å²	82	47.8 Å²	47.8	44%	0.439	25%	0.253	S	S	.	.			trans	-107.5	-16	-178.2	89.3	-51.1	0	0	0	114.3	I309 D344	I309-D311 HydrophobicContact CD1-CB 4.21Å; I309-D311 HydrophobicContact CG1-CB 4.24Å; I309-D311 PolarHBondContact O-N 3.19Å; D311-D344 PolarHBondContact N-OD2 3.28Å
312	N	78.6	Confident	80.8	Confident	43 Å²	43	47.4 Å²	47.4	23%	0.23	25%	0.251	C	S	.	.			trans	-93.6	169	172.2	-56.6	-89.5	0	0	0	112.1	N310 L343 D344 F459	N310-N312 PolarHBondContact ND2-O 3.28Å; N312-L343 HydrophobicContact CB-CB 4.15Å; N312-D344 WeakPolarHBondContact CB-OD1 3.21Å; N312-D344 PolarHBondContact N-OD1 2.95Å; N312-D344 VanDerWaalsContact N-OD1 3.14Å; N312-D344 PolarHBondContact N-OD2 3.42Å; N312-D344 PolarHBondContact ND2-OD1 2.85Å; N312-F459 WeakPolarHBondContact O-CD2 3.37Å
313	A	84	Confident	80.9	Confident	45 Å²	45	47.6 Å²	47.6	37%	0.372	25%	0.252	S	S	.	.			trans	-138.2	143	-176.6	0	0	0	0	0	111.1	K315 F459	A313-K315 PolarHBondContact O-N 2.72Å; A313-K315 VanDerWaalsContact O-N 3.16Å; A313-F459 HydrophobicContact CB-CB 3.59Å; A313-F459 HydrophobicContact CB-CD2 3.86Å; A313-F459 HydrophobicContact CB-CG 3.96Å
314	P	87.4	Confident	80.9	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.032	26%	0.256	C	S	.	.			trans	-52	116.4	179.9	-32.2	36.9	0	0	0	114.2	A340 I350 D453	P314-A340 HydrophobicContact CB-CB 4.16Å; P314-I350 HydrophobicContact CB-CD1 4.39Å; P314-I350 HydrophobicContact CB-CG1 3.91Å; P314-I350 HydrophobicContact CG-CG1 3.79Å; P314-D453 WeakPolarHBondContact CD-OD2 3.28Å; P314-D453 HydrophobicContact CG-CB 3.58Å
315	K	85.1	Confident	80.6	Confident	148 Å²	148	48.5 Å²	48.5	64%	0.643	26%	0.256	S	S	*	.	B	Isolated β-bridge	trans	-123.7	109.5	-173.5	-175.9	-179.2	177.6	-172.6	0	110.9	A313 A340 E341	A313-K315 PolarHBondContact O-N 2.72Å; A313-K315 VanDerWaalsContact O-N 3.16Å; K315-A340 WeakPolarHBondContact O-CA 3.42Å; K315-E341 PolarHBondContact N-O 3.21Å; K315-E341 PolarHBondContact O-N 3.05Å
316	F	86.1	Confident	80.1	Confident	14 Å²	14	47.1 Å²	47.1	6%	0.061	25%	0.251	C	S	.	.			trans	-61	131.8	164.2	-73.1	-69.7	0	0	0	109.6	N318 P338 A340 Y353 L449 A451 G461 E462 M463	F316-N318 PolarHBondContact O-N 3.27Å; F316-P338 WeakPolarHBondContact CE1-O 3.1Å; F316-A340 HydrophobicContact CD1-CB 4.16Å; F316-A340 HydrophobicContact CE1-CB 4.24Å; F316-A340 HydrophobicContact CG-CB 4.38Å; F316-Y353 HydrophobicContact CE1-CD1 4.23Å; F316-Y353 AromaticContact CE1-CE1 3.82Å; F316-Y353 HydrophobicContact CE1-CE1 3.82Å; F316-Y353 AromaticContact CZ-CD1 3.93Å; F316-Y353 HydrophobicContact CZ-CD1 3.93Å; F316-Y353 AromaticContact CZ-CE1 3.86Å; F316-Y353 HydrophobicContact CZ-CE1 3.86Å; F316-L449 HydrophobicContact CE1-CD2 3.54Å; F316-L449 HydrophobicContact CE1-CG 4.44Å; F316-L449 HydrophobicContact CZ-CD2 3.55Å; F316-L449 HydrophobicContact CZ-CG 3.96Å; F316-A451 HydrophobicContact CE1-CB 4.48Å; F316-A451 HydrophobicContact CE2-CB 3.69Å; F316-A451 HydrophobicContact CZ-CB 3.62Å; F316-G461 WeakPolarHBondContact CE2-O 3.3Å; F316-E462 VanDerWaalsContact CD2-C 3.5Å; F316-M463 HydrophobicContact CB-CB 4.16Å; F316-M463 HydrophobicContact CB-SD 4.46Å; F316-M463 HydrophobicContact CD1-CB 4.33Å; F316-M463 HydrophobicContact CD1-SD 4.21Å; F316-M463 HydrophobicContact CD2-CB 3.83Å; F316-M463 HydrophobicContact CE2-CB 4.25Å; F316-M463 HydrophobicContact CG-CB 3.85Å; F316-M463 HydrophobicContact CG-SD 4.42Å
317	P	76.4	Confident	79.6	Confident	29 Å²	29	47.5 Å²	47.5	19%	0.188	25%	0.253	C	S	.	.	S	Bend	trans	-70.3	-17.1	-172.5	-19.1	30.7	0	0	0	114.2	L339 E341 I390 Y391	P317-L339 WeakPolarHBondContact CD-O 3.37Å; P317-E341 HydrophobicContact CG-CG 4.38Å; P317-I390 HydrophobicContact CB-CG2 3.71Å; P317-I390 HydrophobicContact CG-CG2 3.72Å; P317-Y391 HydrophobicContact CB-CD2 3.33Å; P317-Y391 HydrophobicContact CB-CE2 3.93Å; P317-Y391 HydrophobicContact CB-CG 4.01Å; P317-Y391 HydrophobicContact CG-CD2 4.03Å; P317-Y391 HydrophobicContact CG-CG 4.33Å
318	N	77.1	Confident	78.7	Confident	68 Å²	68	46.9 Å²	46.9	36%	0.364	26%	0.259	S	S	.	.			trans	-133.8	147	162.4	-69.7	-55.4	0	0	0	110	F316 Q320 I390 M463	F316-N318 PolarHBondContact O-N 3.27Å; N318-Q320 VanDerWaalsContact C-N 3.27Å; N318-Q320 WeakPolarHBondContact CB-O 3.26Å; N318-Q320 PolarHBondContact O-N 3.15Å; N318-I390 HydrophobicContact CB-CD1 3.95Å; N318-I390 VanDerWaalsContact ND2-CD1 3.33Å; N318-I390 WeakPolarHBondContact ND2-CD1 3.29Å; N318-I390 WeakPolarHBondContact ND2-CG1 3.46Å; N318-M463 WeakPolarHBondContact O-CG 3.34Å
319	P	76.3	Confident	78.3	Confident	98 Å²	98	47.3 Å²	47.3	64%	0.636	26%	0.261	S	S	*	.	S	Bend	trans	-78.3	-9	174.2	32.8	-36.2	0	0	0	113.6	M463 S464	P319-M463 WeakPolarHBondContact O-CA 3.46Å; P319-S464 PolarHBondContact O-N 3.21Å
320	Q	81.9	Confident	77.7	Confident	149 Å²	149	50.3 Å²	50.3	70%	0.696	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.4	176.2	-64.1	-173.5	-25.6	0	0	109.5	N318 S464	N318-Q320 VanDerWaalsContact C-N 3.27Å; N318-Q320 WeakPolarHBondContact CB-O 3.26Å; N318-Q320 PolarHBondContact O-N 3.15Å; Q320-S464 CarbonylContact C-O 3.58Å; Q320-S464 WeakPolarHBondContact CA-O 3.19Å
321	Y	81.4	Confident	77.3	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	113.2	-176.5	178.1	-142.5	0	0	0	110.3	I323 P336 L337 P338 P389 I390 M463 S464 L465 M466	Y321-I323 HydrophobicContact CD1-CD1 4.25Å; Y321-I323 HydrophobicContact CD1-CG1 3.94Å; Y321-I323 HydrophobicContact CD2-CG1 4.46Å; Y321-I323 HydrophobicContact CE1-CD1 3.55Å; Y321-I323 HydrophobicContact CE1-CG1 3.46Å; Y321-I323 VanDerWaalsContact CE1-CG1 3.46Å; Y321-I323 HydrophobicContact CE2-CG1 4.07Å; Y321-I323 HydrophobicContact CG-CG1 4.43Å; Y321-P336 PolarHBondContact OH-O 2.68Å; Y321-L337 HydrophobicContact CD1-CD2 4.19Å; Y321-L337 HydrophobicContact CE1-CD2 3.82Å; Y321-P338 VanDerWaalsContact CD1-CD 3.48Å; Y321-P338 HydrophobicContact CD1-CG 4.17Å; Y321-P338 HydrophobicContact CE1-CG 4.32Å; Y321-P389 VanDerWaalsContact CE2-O 3.3Å; Y321-P389 WeakPolarHBondContact CE2-O 3.35Å; Y321-P389 PolarHBondContact OH-O 3.23Å; Y321-I390 HydrophobicContact CD2-CD1 3.3Å; Y321-I390 HydrophobicContact CD2-CG1 4.01Å; Y321-I390 HydrophobicContact CE2-CD1 3.86Å; Y321-I390 HydrophobicContact CE2-CG1 4.09Å; Y321-I390 HydrophobicContact CG-CD1 3.78Å; Y321-M463 HydrophobicContact CD1-CE 3.79Å; Y321-M463 HydrophobicContact CD1-SD 4.44Å; Y321-M463 HydrophobicContact CG-CE 4.25Å; Y321-M463 HydrophobicContact CG-SD 4.37Å; Y321-S464 PolarHBondContact N-O 2.74Å; Y321-L465 HydrophobicContact CD1-CD1 3.76Å; Y321-L465 HydrophobicContact CE1-CD1 4.33Å; Y321-L465 HydrophobicContact CG-CD1 4.46Å; Y321-L465 CarbonylContact O-C 3.56Å; Y321-L465 VanDerWaalsContact O-CA 3.27Å; Y321-L465 WeakPolarHBondContact O-CA 3.22Å; Y321-M466 PolarHBondContact O-N 3.36Å
322	T	81.6	Confident	77	Confident	52 Å²	52	49.9 Å²	49.9	32%	0.319	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117	170.5	-57.1	0	0	0	0	108.6	M466 I468	T322-M466 WeakPolarHBondContact CA-O 3.29Å; T322-M466 HydrophobicContact CG2-CB 3.95Å; T322-M466 HydrophobicContact CG2-CG 3.9Å; T322-M466 HydrophobicContact CG2-SD 3.81Å; T322-I468 HydrophobicContact CG2-CD1 3.98Å; T322-I468 HydrophobicContact CG2-CG1 4.25Å
323	I	76.4	Confident	77	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.6	172.2	-46.8	-176.7	0	0	0	107.6	Y321 V325 L335 L337 L465 M466 I467 I468	Y321-I323 HydrophobicContact CD1-CD1 4.25Å; Y321-I323 HydrophobicContact CD1-CG1 3.94Å; Y321-I323 HydrophobicContact CD2-CG1 4.46Å; Y321-I323 HydrophobicContact CE1-CD1 3.55Å; Y321-I323 HydrophobicContact CE1-CG1 3.46Å; Y321-I323 VanDerWaalsContact CE1-CG1 3.46Å; Y321-I323 HydrophobicContact CE2-CG1 4.07Å; Y321-I323 HydrophobicContact CG-CG1 4.43Å; I323-V325 HydrophobicContact CB-CG2 4.05Å; I323-V325 HydrophobicContact CG2-CG2 3.5Å; I323-V325 VanDerWaalsContact CG2-CG2 3.5Å; I323-V325 PolarHBondContact O-N 3Å; I323-L335 HydrophobicContact CD1-CB 4.19Å; I323-L335 HydrophobicContact CD1-CD1 4.36Å; I323-L335 HydrophobicContact CG2-CD2 4.13Å; I323-L337 HydrophobicContact CD1-CD2 3.92Å; I323-L465 HydrophobicContact CD1-CD1 3.72Å; I323-L465 HydrophobicContact CG1-CD1 3.81Å; I323-M466 PolarHBondContact N-O 3.34Å; I323-I467 CarbonylContact O-C 3.49Å; I323-I467 VanDerWaalsContact O-CA 3.24Å; I323-I467 WeakPolarHBondContact O-CA 3.25Å; I323-I468 PolarHBondContact O-N 3.33Å
324	H	77.4	Confident	77	Confident	78 Å²	78	52.8 Å²	52.8	36%	0.361	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.1	157.5	-76.3	-105.5	0	0	0	106.8	N387 I468 T470	H324-N387 WeakPolarHBondContact O-CB 3.32Å; H324-N387 PolarHBondContact O-ND2 2.64Å; H324-I468 CarbonylContact C-O 3.53Å; H324-I468 VanDerWaalsContact CA-O 3.27Å; H324-I468 WeakPolarHBondContact CA-O 3.23Å; H324-T470 HydrophobicContact CB-CG2 4.44Å
325	V	73.4	Confident	76.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.9	-175.7	177.4	0	0	0	0	107.3	I323 I329 L335 L437 I467 I468 V469	I323-V325 HydrophobicContact CB-CG2 4.05Å; I323-V325 HydrophobicContact CG2-CG2 3.5Å; I323-V325 VanDerWaalsContact CG2-CG2 3.5Å; I323-V325 PolarHBondContact O-N 3Å; V325-I329 HydrophobicContact CG1-CB 4.05Å; V325-I329 HydrophobicContact CG1-CD1 3.67Å; V325-I329 HydrophobicContact CG1-CG1 4.43Å; V325-I329 HydrophobicContact CG1-CG2 3.5Å; V325-L335 HydrophobicContact CB-CD2 4.5Å; V325-L335 HydrophobicContact CG1-CD1 4.3Å; V325-L335 HydrophobicContact CG1-CD2 4.07Å; V325-L335 HydrophobicContact CG2-CD1 3.46Å; V325-L335 VanDerWaalsContact CG2-CD1 3.46Å; V325-L335 HydrophobicContact CG2-CD2 3.79Å; V325-L335 HydrophobicContact CG2-CG 4.27Å; V325-L437 HydrophobicContact CB-CD1 4.29Å; V325-L437 HydrophobicContact CG1-CD1 3.57Å; V325-I467 HydrophobicContact CB-CG2 4.18Å; V325-I467 HydrophobicContact CG2-CG2 3.38Å; V325-I468 PolarHBondContact N-O 2.76Å; V325-V469 VanDerWaalsContact O-CA 3.23Å; V325-V469 WeakPolarHBondContact O-CA 3.39Å; V325-V469 WeakPolarHBondContact O-CG1 3.47Å
326	S	69.9	Low	76.5	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	150.7	176.5	178.9	0	0	0	0	112	I329 I385 N387 E472	S326-I329 WeakPolarHBondContact O-CB 3.25Å; S326-I329 WeakPolarHBondContact O-CG2 3.45Å; S326-I329 PolarHBondContact O-N 2.74Å; S326-I385 VanDerWaalsContact CB-CG2 3.42Å; S326-I385 WeakPolarHBondContact OG-CG2 3.5Å; S326-N387 PolarHBondContact N-ND2 2.86Å; S326-E472 WeakPolarHBondContact CA-OE1 3.19Å; S326-E472 VanDerWaalsContact CB-CD 3.44Å; S326-E472 WeakPolarHBondContact CB-OE2 3.34Å; S326-E472 VanDerWaalsContact OG-CG 3.26Å; S326-E472 WeakPolarHBondContact OG-CG 3.29Å; S326-E472 PolarHBondContact OG-OE2 3.22Å
327	E	71.2	Confident	76.4	Confident	12 Å²	12	49 Å²	49	6%	0.056	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-40.9	-179.4	79.2	136.1	88.2	0	0	114.6	I329 L437 D438 W439 E440 V469 E472	E327-I329 PolarHBondContact O-N 3.23Å; E327-L437 CarbonylContact O-C 3.59Å; E327-D438 PolarHBondContact O-N 2.68Å; E327-D438 WeakPolarHBondContact OE2-CA 3.48Å; E327-W439 HydrophobicContact CB-CB 3.46Å; E327-W439 VanDerWaalsContact CB-CB 3.46Å; E327-W439 HydrophobicContact CG-CB 3.99Å; E327-W439 VanDerWaalsContact OE1-C 3.32Å; E327-W439 WeakPolarHBondContact OE1-CA 3.44Å; E327-W439 WeakPolarHBondContact OE1-CB 3.42Å; E327-W439 PolarHBondContact OE1-N 2.78Å; E327-W439 PolarHBondContact OE2-N 2.88Å; E327-E440 VanDerWaalsContact OE1-CD 3.29Å; E327-E440 PolarHBondContact OE1-N 3.36Å; E327-V469 HydrophobicContact CB-CG1 3.91Å; E327-E472 HydrophobicContact CB-CG 4.45Å; E327-E472 HydrophobicContact CG-CB 4.33Å; E327-E472 HydrophobicContact CG-CG 4.07Å
328	G	61.7	Low	76.7	Confident	39 Å²	39	47.9 Å²	47.9	40%	0.402	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	14.4	-179.3	0	0	0	0	0	114.3	H330	G328-H330 PolarHBondContact O-N 3.02Å
329	I	69.8	Low	77.1	Confident	22 Å²	22	45.1 Å²	45.1	11%	0.113	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-74.1	120.6	-178.3	-157.8	164	0	0	0	112.1	V325 S326 E327 S333 L335 V433 L437	V325-I329 HydrophobicContact CG1-CB 4.05Å; V325-I329 HydrophobicContact CG1-CD1 3.67Å; V325-I329 HydrophobicContact CG1-CG1 4.43Å; V325-I329 HydrophobicContact CG1-CG2 3.5Å; S326-I329 WeakPolarHBondContact O-CB 3.25Å; S326-I329 WeakPolarHBondContact O-CG2 3.45Å; S326-I329 PolarHBondContact O-N 2.74Å; E327-I329 PolarHBondContact O-N 3.23Å; I329-S333 WeakPolarHBondContact CG1-OG 3.41Å; I329-L335 HydrophobicContact CD1-CD2 3.3Å; I329-L335 HydrophobicContact CD1-CG 3.83Å; I329-V433 HydrophobicContact CD1-CG2 3.83Å; I329-V433 HydrophobicContact CG1-CG2 4.21Å; I329-V433 HydrophobicContact CG2-CG2 4.49Å; I329-L437 HydrophobicContact CG2-CB 3.79Å; I329-L437 HydrophobicContact CG2-CD1 3.55Å; I329-L437 HydrophobicContact CG2-CG 3.59Å
330	H	69.5	Low	77.4	Confident	119 Å²	119	40.5 Å²	40.5	55%	0.551	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-70.6	152.6	-174	-137.9	-84.2	0	0	0	113	G328 G332 S333	G328-H330 PolarHBondContact O-N 3.02Å; H330-G332 PolarHBondContact O-N 2.89Å; H330-S333 WeakPolarHBondContact CA-OG 3.28Å; H330-S333 VanDerWaalsContact CB-OG 3.25Å; H330-S333 WeakPolarHBondContact CB-OG 3.49Å; H330-S333 PolarHBondContact N-OG 2.84Å; H330-S333 WeakPolarHBondContact O-CB 3.45Å; H330-S333 PolarHBondContact O-N 2.7Å; H330-S333 PolarHBondContact O-OG 3.31Å
331	V	75.4	Confident	77.3	Confident	75 Å²	75	36.2 Å²	36.2	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	130.9	162.5	-171	0	0	0	0	109.4	S333 Q436	V331-S333 VanDerWaalsContact C-N 3.31Å; V331-Q436 HydrophobicContact CG2-CB 3.71Å
332	G	76.4	Confident	77.4	Confident	32 Å²	32	35.9 Å²	35.9	33%	0.33	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-5.4	-179.5	0	0	0	0	0	114.7	H330 V433	H330-G332 PolarHBondContact O-N 2.89Å; G332-V433 CarbonylContact C-O 3.47Å; G332-V433 WeakPolarHBondContact CA-O 3.31Å; G332-V433 PolarHBondContact N-O 3.49Å
333	S	78.5	Confident	77.3	Confident	30 Å²	30	37.4 Å²	37.4	21%	0.21	21%	0.208	C	C	.	.			trans	-58.9	141.5	178.2	-62.8	0	0	0	0	111.7	I329 H330 V331 K432 V433	I329-S333 WeakPolarHBondContact CG1-OG 3.41Å; H330-S333 WeakPolarHBondContact CA-OG 3.28Å; H330-S333 VanDerWaalsContact CB-OG 3.25Å; H330-S333 WeakPolarHBondContact CB-OG 3.49Å; H330-S333 PolarHBondContact N-OG 2.84Å; H330-S333 WeakPolarHBondContact O-CB 3.45Å; H330-S333 PolarHBondContact O-N 2.7Å; H330-S333 PolarHBondContact O-OG 3.31Å; V331-S333 VanDerWaalsContact C-N 3.31Å; S333-K432 CarbonylContact O-C 3.59Å; S333-K432 WeakPolarHBondContact O-CA 3.29Å; S333-V433 WeakPolarHBondContact O-CB 3.24Å; S333-V433 WeakPolarHBondContact O-CG2 3.28Å; S333-V433 PolarHBondContact O-N 3.37Å
334	R	83.6	Confident	77.3	Confident	119 Å²	119	37.2 Å²	37.2	45%	0.449	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	98.6	-175.8	-66.5	-174.6	-176	172.6	-0.8	109	Y430 K432	R334-Y430 HydrophobicContact CB-CD1 3.46Å; R334-Y430 VanDerWaalsContact CB-CD1 3.46Å; R334-Y430 HydrophobicContact CB-CD2 4.24Å; R334-Y430 HydrophobicContact CB-CE1 3.93Å; R334-Y430 HydrophobicContact CB-CG 3.62Å; R334-Y430 HydrophobicContact CG-CG 4.39Å; R334-Y430 WeakPolarHBondContact O-CD1 3.4Å; R334-K432 HydrophobicContact CG-CB 4.27Å; R334-K432 HydrophobicContact CG-CG 4.46Å
335	L	83.4	Confident	77.1	Confident	14 Å²	14	34.1 Å²	34.1	7%	0.073	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.9	174.3	-69.7	168.7	0	0	0	108.5	I323 V325 I329 L337 F363 Y430 L431 V433	I323-L335 HydrophobicContact CD1-CB 4.19Å; I323-L335 HydrophobicContact CD1-CD1 4.36Å; I323-L335 HydrophobicContact CG2-CD2 4.13Å; V325-L335 HydrophobicContact CB-CD2 4.5Å; V325-L335 HydrophobicContact CG1-CD1 4.3Å; V325-L335 HydrophobicContact CG1-CD2 4.07Å; V325-L335 HydrophobicContact CG2-CD1 3.46Å; V325-L335 VanDerWaalsContact CG2-CD1 3.46Å; V325-L335 HydrophobicContact CG2-CD2 3.79Å; V325-L335 HydrophobicContact CG2-CG 4.27Å; I329-L335 HydrophobicContact CD1-CD2 3.3Å; I329-L335 HydrophobicContact CD1-CG 3.83Å; L335-L337 PolarHBondContact O-N 2.86Å; L335-F363 HydrophobicContact CD1-CD1 4.41Å; L335-F363 HydrophobicContact CD1-CE1 3.65Å; L335-F363 HydrophobicContact CD1-CZ 4.43Å; L335-Y430 CarbonylContact O-C 3.55Å; L335-Y430 VanDerWaalsContact O-CA 3.3Å; L335-Y430 WeakPolarHBondContact O-CA 3.42Å; L335-L431 HydrophobicContact CB-CB 4.25Å; L335-L431 WeakPolarHBondContact CB-O 3.19Å; L335-L431 HydrophobicContact CD1-CD2 4.35Å; L335-L431 PolarHBondContact N-O 2.88Å; L335-L431 PolarHBondContact O-N 2.84Å; L335-V433 HydrophobicContact CD1-CG2 4.08Å; L335-V433 HydrophobicContact CG-CG2 4.13Å
336	P	79.4	Confident	76.7	Confident	67 Å²	67	38.4 Å²	38.4	44%	0.435	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.8	176.2	26.6	-33.2	0	0	0	109.3	Y321 Y430	Y321-P336 PolarHBondContact OH-O 2.68Å; P336-Y430 HydrophobicContact CB-CD1 4.5Å; P336-Y430 HydrophobicContact CB-CE1 4.44Å
337	L	84.7	Confident	76.8	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.8	159.6	-60.3	-173.9	0	0	0	107.2	Y321 I323 L335 L339 L355 L365 L429 L431 L449 L465	Y321-L337 HydrophobicContact CD1-CD2 4.19Å; Y321-L337 HydrophobicContact CE1-CD2 3.82Å; I323-L337 HydrophobicContact CD1-CD2 3.92Å; L335-L337 PolarHBondContact O-N 2.86Å; L337-L339 PolarHBondContact O-N 3.34Å; L337-L355 HydrophobicContact CD1-CD1 4.41Å; L337-L365 HydrophobicContact CD1-CD1 3.6Å; L337-L429 HydrophobicContact CB-CB 4.42Å; L337-L429 HydrophobicContact CB-CD2 4.02Å; L337-L429 HydrophobicContact CB-CG 4.12Å; L337-L429 HydrophobicContact CD1-CD2 4.46Å; L337-L429 HydrophobicContact CD1-CG 4.49Å; L337-L429 PolarHBondContact N-O 3.01Å; L337-L431 HydrophobicContact CD1-CB 4.17Å; L337-L431 HydrophobicContact CD2-CB 3.88Å; L337-L431 HydrophobicContact CG-CB 3.98Å; L337-L449 HydrophobicContact CB-CD2 4.41Å; L337-L449 HydrophobicContact CD1-CD1 3.9Å; L337-L449 HydrophobicContact CD1-CD2 4.08Å; L337-L465 HydrophobicContact CD1-CD2 4.31Å; L337-L465 HydrophobicContact CD2-CD1 4.03Å; L337-L465 HydrophobicContact CD2-CD2 3.77Å
338	P	82	Confident	77.1	Confident	6 Å²	6	46 Å²	46	4%	0.039	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-57.9	137	173.5	26	-35.8	0	0	0	109.9	F316 Y321 I390 M463	F316-P338 WeakPolarHBondContact CE1-O 3.1Å; Y321-P338 VanDerWaalsContact CD1-CD 3.48Å; Y321-P338 HydrophobicContact CD1-CG 4.17Å; Y321-P338 HydrophobicContact CE1-CG 4.32Å; P338-I390 HydrophobicContact CB-CB 3.8Å; P338-I390 HydrophobicContact CB-CG2 3.38Å; P338-I390 HydrophobicContact CG-CB 4.19Å; P338-I390 HydrophobicContact CG-CD1 4.14Å; P338-I390 HydrophobicContact CG-CG2 3.94Å; P338-M463 HydrophobicContact CG-CE 3.78Å; P338-M463 HydrophobicContact CG-SD 3.55Å; P338-M463 VanDerWaalsContact CG-SD 3.55Å
339	L	84.5	Confident	77.7	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.052	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63.9	150.6	160.2	-58.4	178.7	0	0	0	108.1	P317 L337 Y353 P426 L429	P317-L339 WeakPolarHBondContact CD-O 3.37Å; L337-L339 PolarHBondContact O-N 3.34Å; L339-Y353 WeakPolarHBondContact CA-OH 3.35Å; L339-Y353 WeakPolarHBondContact CB-OH 3.46Å; L339-Y353 HydrophobicContact CD2-CE2 3.97Å; L339-P426 WeakPolarHBondContact CD2-O 3.48Å; L339-L429 HydrophobicContact CD2-CB 3.77Å
340	A	83.5	Confident	78.2	Confident	1 Å²	1	44 Å²	44	1%	0.008	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.2	143.8	153.7	0	0	0	0	0	107.9	P314 K315 F316 I350 Y353 A451	P314-A340 HydrophobicContact CB-CB 4.16Å; K315-A340 WeakPolarHBondContact O-CA 3.42Å; F316-A340 HydrophobicContact CD1-CB 4.16Å; F316-A340 HydrophobicContact CE1-CB 4.24Å; F316-A340 HydrophobicContact CG-CB 4.38Å; A340-I350 HydrophobicContact CB-CD1 3.66Å; A340-I350 HydrophobicContact CB-CG1 4.49Å; A340-I350 WeakPolarHBondContact O-CD1 3.34Å; A340-Y353 HydrophobicContact CB-CE1 4.18Å; A340-Y353 PolarHBondContact N-OH 2.85Å; A340-A451 HydrophobicContact CB-CB 3.88Å
341	E	80.4	Confident	78.8	Confident	58 Å²	58	41.9 Å²	41.9	27%	0.271	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-95	143.9	165.9	-68.6	-161.1	133.1	0	0	109.7	K315 P317 S392 S393	K315-E341 PolarHBondContact N-O 3.21Å; K315-E341 PolarHBondContact O-N 3.05Å; P317-E341 HydrophobicContact CG-CG 4.38Å; E341-S392 WeakPolarHBondContact OE1-CA 3.13Å; E341-S393 PolarHBondContact OE1-N 2.71Å
342	D	82.2	Confident	79.2	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.011	23%	0.225	C	C	.	.			trans	-147.1	129.9	-176.8	178.2	-6.3	0	0	0	104.9	R225 D344 N349 I350	R225-D342 VanDerWaalsContact CZ-O 3.25Å; R225-D342 PolarHBondContact NH1-O 2.99Å; R225-D342 PolarHBondContact NH2-O 3.18Å; D342-D344 PolarHBondContact OD1-N 2.74Å; D342-N349 PolarHBondContact O-ND2 2.81Å; D342-N349 VanDerWaalsContact OD2-CA 3.23Å; D342-N349 WeakPolarHBondContact OD2-CA 3.21Å; D342-I350 HydrophobicContact CB-CD1 3.55Å; D342-I350 HydrophobicContact CB-CG1 3.72Å; D342-I350 PolarHBondContact OD2-N 2.71Å
343	L	79.1	Confident	79.8	Confident	85 Å²	85	44 Å²	44	45%	0.445	21%	0.212	S	C	.	.			trans	-89.5	-28	-169.1	-60.4	-176.4	0	0	0	112.1	E199 N312	E199-L343 HydrophobicContact CG-CB 4.39Å; N312-L343 HydrophobicContact CB-CB 4.15Å
344	D	76.9	Confident	80.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-60	161.5	-175.2	-56.4	-4.8	0	0	0	111.7	N310 D311 N312 D342 N349	N310-D344 WeakPolarHBondContact CA-OD2 3.36Å; N310-D344 PolarHBondContact ND2-OD2 2.8Å; D311-D344 PolarHBondContact N-OD2 3.28Å; N312-D344 WeakPolarHBondContact CB-OD1 3.21Å; N312-D344 PolarHBondContact N-OD1 2.95Å; N312-D344 VanDerWaalsContact N-OD1 3.14Å; N312-D344 PolarHBondContact N-OD2 3.42Å; N312-D344 PolarHBondContact ND2-OD1 2.85Å; D342-D344 PolarHBondContact OD1-N 2.74Å; D344-N349 PolarHBondContact O-ND2 2.8Å
345	C	72.5	Confident	80.3	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.081	21%	0.214	C	C	.	.			trans	-69.1	174.3	-178.2	90.1	0	0	0	0	112.8	D308 D347 Y348 N349	D308-C345 HydrophobicContact CB-CB 3.87Å; D308-C345 VanDerWaalsContact CG-CB 3.45Å; D308-C345 PolarHBondContact OD1-N 3.27Å; D308-C345 WeakPolarHBondContact OD2-CA 3.32Å; D308-C345 WeakPolarHBondContact OD2-CB 3.48Å; D308-C345 PolarHBondContact OD2-N 3.31Å; D308-C345 PolarHBondContact OD2-SG 3.27Å; C345-D347 PolarHBondContact O-N 3.3Å; C345-D347 PolarHBondContact SG-N 2.78Å; C345-Y348 PolarHBondContact O-N 3.47Å; C345-N349 PolarHBondContact O-N 3.43Å
346	I	66.5	Low	80.4	Confident	92 Å²	92	47.1 Å²	47.1	47%	0.472	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.7	-176.1	-161.2	166.4	0	0	0	114.9	K227	K227-I346 HydrophobicContact CD-CG2 4.49Å; K227-I346 HydrophobicContact CG-CG2 3.87Å
347	D	70.7	Confident	80	Confident	87 Å²	87	46.4 Å²	46.4	47%	0.465	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.9	177.3	-57.3	-61	0	0	0	113.7	K227 C345 S454	K227-D347 IonicContact NZ-OD1 3.09Å; K227-D347 PolarHBondContact NZ-OD1 2.62Å; K227-D347 IonicContact NZ-OD2 3.36Å; K227-D347 PolarHBondContact NZ-OD2 3.37Å; C345-D347 PolarHBondContact O-N 3.3Å; C345-D347 PolarHBondContact SG-N 2.78Å; D347-S454 PolarHBondContact O-OG 2.76Å
348	Y	79.1	Confident	79.5	Confident	90 Å²	90	55.6 Å²	55.6	35%	0.353	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	1.3	-179.5	-67.7	-49.3	0	0	0	114	D308 N310 C345 S454	D308-Y348 WeakPolarHBondContact OD2-CD2 3.2Å; N310-Y348 HydrophobicContact CB-CD1 3.65Å; N310-Y348 HydrophobicContact CB-CD2 3.89Å; N310-Y348 HydrophobicContact CB-CE1 4.03Å; N310-Y348 HydrophobicContact CB-CE2 4.27Å; N310-Y348 HydrophobicContact CB-CG 3.59Å; N310-Y348 WeakPolarHBondContact OD1-CD1 3.37Å; C345-Y348 PolarHBondContact O-N 3.47Å; Y348-S454 VanDerWaalsContact CA-OG 3.25Å; Y348-S454 WeakPolarHBondContact CA-OG 3.42Å
349	N	73.5	Confident	79.1	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.064	30%	0.3	C	S	.	.	S	Bend	trans	-78.3	169.9	-170.5	-144.3	-108.1	0	0	0	115.4	R225 D342 D344 C345 I351 S454	R225-N349 PolarHBondContact NH1-ND2 2.9Å; D342-N349 PolarHBondContact O-ND2 2.81Å; D342-N349 VanDerWaalsContact OD2-CA 3.23Å; D342-N349 WeakPolarHBondContact OD2-CA 3.21Å; D344-N349 PolarHBondContact O-ND2 2.8Å; C345-N349 PolarHBondContact O-N 3.43Å; N349-I351 PolarHBondContact O-N 3.26Å; N349-S454 PolarHBondContact N-OG 2.78Å; N349-S454 PolarHBondContact O-N 2.89Å; N349-S454 PolarHBondContact O-OG 2.96Å
350	I	81.4	Confident	78.7	Confident	5 Å²	5	61 Å²	61	3%	0.026	31%	0.313	C	S	.	.			trans	-43.8	128.6	175.6	-65.7	154.4	0	0	0	114.5	P314 A340 D342 Y353 P426 E452	P314-I350 HydrophobicContact CB-CD1 4.39Å; P314-I350 HydrophobicContact CB-CG1 3.91Å; P314-I350 HydrophobicContact CG-CG1 3.79Å; A340-I350 HydrophobicContact CB-CD1 3.66Å; A340-I350 HydrophobicContact CB-CG1 4.49Å; A340-I350 WeakPolarHBondContact O-CD1 3.34Å; D342-I350 HydrophobicContact CB-CD1 3.55Å; D342-I350 HydrophobicContact CB-CG1 3.72Å; D342-I350 PolarHBondContact OD2-N 2.71Å; I350-Y353 HydrophobicContact CG2-CE2 3.86Å; I350-P426 HydrophobicContact CG2-CG 4.34Å; I350-P426 WeakPolarHBondContact O-CD 2.99Å; I350-E452 CarbonylContact C-O 3.24Å; I350-E452 WeakPolarHBondContact CA-O 3.46Å
351	I	80.4	Confident	78.6	Confident	75 Å²	75	65.6 Å²	65.6	39%	0.385	34%	0.338	S	S	.	.			trans	-109	-30.4	-177.3	-157	171.5	0	0	0	114.8	N349 E452 D453	N349-I351 PolarHBondContact O-N 3.26Å; I351-E452 PolarHBondContact N-O 3.3Å; I351-D453 VanDerWaalsContact CG2-O 3.25Å; I351-D453 WeakPolarHBondContact CG2-O 3.46Å
352	R	84.5	Confident	78.7	Confident	135 Å²	135	63.2 Å²	63.2	51%	0.509	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	162.1	-178.2	68.6	176.5	177.3	-157.3	-5.3	116.5	A451 E452	R352-A451 WeakPolarHBondContact O-CA 3.24Å; R352-E452 HydrophobicContact CG-CB 4.04Å; R352-E452 IonicContact CZ-OE1 2.66Å; R352-E452 VanDerWaalsContact CZ-OE1 3.24Å; R352-E452 IonicContact CZ-OE2 2.64Å; R352-E452 PolarHBondContact N-O 2.89Å; R352-E452 VanDerWaalsContact NE-CD 3.26Å; R352-E452 IonicContact NE-OE1 2.69Å; R352-E452 PolarHBondContact NE-OE1 3.49Å; R352-E452 IonicContact NE-OE2 3.15Å; R352-E452 PolarHBondContact NE-OE2 2.91Å; R352-E452 IonicContact NH2-OE1 2.75Å; R352-E452 PolarHBondContact NH2-OE1 2.87Å; R352-E452 IonicContact NH2-OE2 2.62Å; R352-E452 PolarHBondContact NH2-OE2 3.02Å; R352-E452 PolarHBondContact O-N 3Å
353	Y	88.2	Confident	78.9	Confident	17 Å²	17	63.5 Å²	63.5	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.5	174.6	-66.9	-82.9	0	0	0	113.1	F316 L339 A340 I350 Q367 P426 L429 N450 A451	F316-Y353 HydrophobicContact CE1-CD1 4.23Å; F316-Y353 AromaticContact CE1-CE1 3.82Å; F316-Y353 HydrophobicContact CE1-CE1 3.82Å; F316-Y353 AromaticContact CZ-CD1 3.93Å; F316-Y353 HydrophobicContact CZ-CD1 3.93Å; F316-Y353 AromaticContact CZ-CE1 3.86Å; F316-Y353 HydrophobicContact CZ-CE1 3.86Å; L339-Y353 WeakPolarHBondContact CA-OH 3.35Å; L339-Y353 WeakPolarHBondContact CB-OH 3.46Å; L339-Y353 HydrophobicContact CD2-CE2 3.97Å; A340-Y353 HydrophobicContact CB-CE1 4.18Å; A340-Y353 PolarHBondContact N-OH 2.85Å; I350-Y353 HydrophobicContact CG2-CE2 3.86Å; Y353-Q367 HydrophobicContact CD2-CG 4.4Å; Y353-P426 HydrophobicContact CD2-CB 4.1Å; Y353-P426 HydrophobicContact CD2-CG 4.06Å; Y353-P426 HydrophobicContact CE2-CB 3.84Å; Y353-P426 HydrophobicContact CE2-CG 3.78Å; Y353-L429 HydrophobicContact CD1-CD2 3.47Å; Y353-L429 VanDerWaalsContact CD1-CD2 3.47Å; Y353-L429 HydrophobicContact CD2-CD1 3.83Å; Y353-L429 HydrophobicContact CD2-CD2 4.06Å; Y353-L429 HydrophobicContact CD2-CG 4.42Å; Y353-L429 HydrophobicContact CE1-CD2 3.89Å; Y353-L429 HydrophobicContact CE2-CD2 4.44Å; Y353-L429 HydrophobicContact CG-CD1 3.74Å; Y353-L429 HydrophobicContact CG-CD2 3.55Å; Y353-L429 HydrophobicContact CG-CG 4.25Å; Y353-N450 VanDerWaalsContact CA-O 3.3Å; Y353-N450 WeakPolarHBondContact CA-O 3.3Å; Y353-A451 HydrophobicContact CD1-CB 3.64Å; Y353-A451 HydrophobicContact CE1-CB 3.53Å
354	Q	86.6	Confident	79.3	Confident	121 Å²	121	63.5 Å²	63.5	57%	0.565	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	139.8	178.6	-176.6	175.9	-5.7	0	0	113.1	L449 N450	Q354-L449 CarbonylContact O-C 3.48Å; Q354-L449 VanDerWaalsContact O-CA 3.3Å; Q354-L449 WeakPolarHBondContact O-CA 3.11Å; Q354-L449 WeakPolarHBondContact O-CD1 3.2Å; Q354-N450 PolarHBondContact N-O 3.42Å; Q354-N450 PolarHBondContact O-N 3.32Å
355	L	87.3	Confident	79.8	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.131	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.3	-179.1	-174.2	83	0	0	0	111.9	L337 T357 L365 L431 F447 I448 L449 L465	L337-L355 HydrophobicContact CD1-CD1 4.41Å; L355-T357 HydrophobicContact CD2-CG2 3.48Å; L355-T357 VanDerWaalsContact CD2-CG2 3.48Å; L355-T357 HydrophobicContact CG-CG2 3.98Å; L355-L365 HydrophobicContact CB-CB 3.75Å; L355-L365 HydrophobicContact CB-CD1 4.05Å; L355-L365 HydrophobicContact CB-CD2 3.83Å; L355-L365 HydrophobicContact CB-CG 4.07Å; L355-L365 HydrophobicContact CD2-CB 3.89Å; L355-L365 HydrophobicContact CD2-CD1 4.48Å; L355-L365 HydrophobicContact CG-CB 4.44Å; L355-L431 HydrophobicContact CD1-CD1 4.21Å; L355-L431 HydrophobicContact CD2-CD1 3.41Å; L355-L431 VanDerWaalsContact CD2-CD1 3.41Å; L355-L431 HydrophobicContact CG-CD1 4.5Å; L355-F447 HydrophobicContact CD1-CB 4.29Å; L355-I448 WeakPolarHBondContact CA-O 3.21Å; L355-I448 VanDerWaalsContact CD1-O 3.28Å; L355-I448 WeakPolarHBondContact CD1-O 3.32Å; L355-L449 HydrophobicContact CB-CD1 4.13Å; L355-L449 HydrophobicContact CD1-CB 4.3Å; L355-L449 HydrophobicContact CD1-CD1 3.95Å; L355-L465 HydrophobicContact CD1-CD2 3.99Å
356	L	84.5	Confident	80.3	Confident	83 Å²	83	66.4 Å²	66.4	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108	-179.1	-52	175.9	0	0	0	110.8	I448	L356-I448 HydrophobicContact CB-CB 4.36Å; L356-I448 HydrophobicContact CD1-CB 4.42Å; L356-I448 HydrophobicContact CD1-CG2 4.15Å; L356-I448 PolarHBondContact N-O 3.45Å
357	T	71.6	Confident	80.8	Confident	52 Å²	52	65.3 Å²	65.3	32%	0.319	33%	0.333	S	S	.	.			trans	-104.6	-9.1	-162.4	56.6	0	0	0	0	117.6	L355 G359 F447	L355-T357 HydrophobicContact CD2-CG2 3.48Å; L355-T357 VanDerWaalsContact CD2-CG2 3.48Å; L355-T357 HydrophobicContact CG-CG2 3.98Å; T357-G359 PolarHBondContact O-N 3.05Å; T357-F447 HydrophobicContact CG2-CD1 4.31Å; T357-F447 HydrophobicContact CG2-CE1 4.41Å; T357-F447 WeakPolarHBondContact O-CE1 3.42Å
358	Q	74.7	Confident	80.6	Confident	199 Å²	199	63.9 Å²	63.9	93%	0.93	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-7.3	-178.8	-56.9	-167.9	20.5	0	0	118.3
359	G	73.5	Confident	79.7	Confident	70 Å²	70	62.3 Å²	62.3	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.2	3.9	172.1	0	0	0	0	0	116.8	T357	T357-G359 PolarHBondContact O-N 3.05Å
360	D	76.5	Confident	78.4	Confident	60 Å²	60	65.4 Å²	65.4	32%	0.321	34%	0.344	S	S	.	.			trans	-74.6	133.9	169.8	-161.1	-40.3	0	0	0	110.2	T362 Y445 F447	D360-T362 WeakPolarHBondContact OD1-CB 3.19Å; D360-T362 PolarHBondContact OD1-N 3.47Å; D360-T362 PolarHBondContact OD1-OG1 3.33Å; D360-Y445 WeakPolarHBondContact OD2-CD1 3.26Å; D360-F447 HydrophobicContact CB-CE1 4.02Å; D360-F447 HydrophobicContact CB-CZ 4.07Å
361	D	80.8	Confident	76.5	Confident	98 Å²	98	71.9 Å²	71.9	52%	0.524	37%	0.374	S	S	.	.	S	Bend	trans	-98.7	2.1	179.5	73.2	-30.5	0	0	0	113.1	F363 M434 K435	D361-F363 PolarHBondContact O-N 2.81Å; D361-M434 WeakPolarHBondContact O-CB 3.1Å; D361-M434 WeakPolarHBondContact O-CG 3.01Å; D361-K435 IonicContact OD1-NZ 2.81Å; D361-K435 PolarHBondContact OD1-NZ 2.79Å; D361-K435 WeakPolarHBondContact OD2-CE 3.02Å; D361-K435 IonicContact OD2-NZ 2.68Å; D361-K435 PolarHBondContact OD2-NZ 2.66Å
362	T	82.5	Confident	74.2	Confident	8 Å²	8	76.2 Å²	76.2	5%	0.049	40%	0.397	C	S	.	.	S	Bend	trans	-70.2	-17.9	177.8	-47.5	0	0	0	0	112.2	D360 V433 M434 K435 Y445	D360-T362 WeakPolarHBondContact OD1-CB 3.19Å; D360-T362 PolarHBondContact OD1-N 3.47Å; D360-T362 PolarHBondContact OD1-OG1 3.33Å; T362-V433 CarbonylContact O-C 3.43Å; T362-V433 WeakPolarHBondContact O-CA 3.29Å; T362-M434 WeakPolarHBondContact O-CB 3.36Å; T362-M434 PolarHBondContact O-N 3.48Å; T362-K435 HydrophobicContact CG2-CB 4.46Å; T362-Y445 HydrophobicContact CG2-CE1 3.72Å; T362-Y445 WeakPolarHBondContact OG1-CE1 2.92Å
363	F	86.6	Confident	71.8	Confident	8 Å²	8	76.6 Å²	76.6	4%	0.035	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.6	-170.8	-68	-73.8	0	0	0	114.2	L335 D361 L431 K432 V433 Y445 F447 I467	L335-F363 HydrophobicContact CD1-CD1 4.41Å; L335-F363 HydrophobicContact CD1-CE1 3.65Å; L335-F363 HydrophobicContact CD1-CZ 4.43Å; D361-F363 PolarHBondContact O-N 2.81Å; F363-L431 HydrophobicContact CB-CD1 3.9Å; F363-L431 HydrophobicContact CB-CD2 3.95Å; F363-L431 HydrophobicContact CB-CG 3.78Å; F363-L431 HydrophobicContact CD1-CD2 3.36Å; F363-L431 HydrophobicContact CD1-CG 3.64Å; F363-L431 HydrophobicContact CE1-CD2 3.95Å; F363-L431 HydrophobicContact CG-CD2 3.69Å; F363-L431 HydrophobicContact CG-CG 3.98Å; F363-K432 VanDerWaalsContact CA-O 3.28Å; F363-K432 WeakPolarHBondContact CA-O 3.41Å; F363-V433 HydrophobicContact CD1-CG2 4.38Å; F363-V433 HydrophobicContact CE1-CB 4.37Å; F363-V433 HydrophobicContact CE1-CG2 3.68Å; F363-Y445 HydrophobicContact CD2-CD1 4.4Å; F363-Y445 HydrophobicContact CD2-CG 4.38Å; F363-Y445 AromaticContact CE2-CD1 3.83Å; F363-Y445 HydrophobicContact CE2-CD1 3.83Å; F363-Y445 AromaticContact CE2-CD2 3.61Å; F363-Y445 HydrophobicContact CE2-CD2 3.61Å; F363-Y445 HydrophobicContact CE2-CE1 4.08Å; F363-Y445 AromaticContact CE2-CE2 3.94Å; F363-Y445 HydrophobicContact CE2-CE2 3.94Å; F363-Y445 AromaticContact CE2-CG 3.57Å; F363-Y445 HydrophobicContact CE2-CG 3.57Å; F363-Y445 HydrophobicContact CZ-CD2 4.07Å; F363-Y445 HydrophobicContact CZ-CE2 4.24Å; F363-Y445 HydrophobicContact CZ-CG 4.46Å; F363-F447 HydrophobicContact CB-CE2 3.62Å; F363-F447 HydrophobicContact CB-CZ 3.91Å; F363-F447 AromaticContact CD2-CE2 3.57Å; F363-F447 HydrophobicContact CD2-CE2 3.57Å; F363-F447 AromaticContact CD2-CZ 3.84Å; F363-F447 HydrophobicContact CD2-CZ 3.84Å; F363-F447 AromaticContact CG-CE2 3.79Å; F363-F447 HydrophobicContact CG-CE2 3.79Å; F363-F447 HydrophobicContact CG-CZ 4.27Å; F363-I467 HydrophobicContact CD1-CD1 4.28Å; F363-I467 HydrophobicContact CD2-CD1 3.88Å; F363-I467 HydrophobicContact CE1-CD1 4.02Å; F363-I467 HydrophobicContact CE2-CD1 3.64Å; F363-I467 HydrophobicContact CG-CD1 4.2Å; F363-I467 HydrophobicContact CZ-CD1 3.71Å; F363-I467 HydrophobicContact CZ-CG2 4.03Å
364	E	87.6	Confident	69	Low	84 Å²	84	81.6 Å²	81.6	39%	0.393	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.3	-178.5	173.2	-178.7	-145.8	0	0	111	I366 L431 K432 M434	E364-I366 HydrophobicContact CG-CG1 4.45Å; E364-L431 CarbonylContact O-C 3.49Å; E364-L431 WeakPolarHBondContact O-CA 3.44Å; E364-K432 HydrophobicContact CB-CB 4.29Å; E364-K432 PolarHBondContact N-O 2.73Å; E364-K432 PolarHBondContact O-N 2.81Å; E364-K432 WeakPolarHBondContact OE2-CD 3.46Å; E364-K432 IonicContact OE2-NZ 2.81Å; E364-K432 PolarHBondContact OE2-NZ 2.77Å; E364-M434 HydrophobicContact CB-SD 4.36Å
365	L	87.9	Confident	66.4	Low	46 Å²	46	83 Å²	83	24%	0.241	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.6	173.6	-170.4	75.3	0	0	0	110.8	L337 L355 L429 Y430 L449	L337-L365 HydrophobicContact CD1-CD1 3.6Å; L355-L365 HydrophobicContact CB-CB 3.75Å; L355-L365 HydrophobicContact CB-CD1 4.05Å; L355-L365 HydrophobicContact CB-CD2 3.83Å; L355-L365 HydrophobicContact CB-CG 4.07Å; L355-L365 HydrophobicContact CD2-CB 3.89Å; L355-L365 HydrophobicContact CD2-CD1 4.48Å; L355-L365 HydrophobicContact CG-CB 4.44Å; L365-L429 HydrophobicContact CD1-CD1 3.85Å; L365-L429 HydrophobicContact CD1-CG 4.06Å; L365-L429 HydrophobicContact CD2-CD1 4.29Å; L365-L429 HydrophobicContact CG-CD1 4.2Å; L365-Y430 CarbonylContact C-O 3.49Å; L365-Y430 WeakPolarHBondContact CA-O 3.46Å; L365-L449 HydrophobicContact CD1-CD1 3.82Å; L365-L449 HydrophobicContact CD2-CD1 4.33Å
366	I	82.6	Confident	63.7	Low	28 Å²	28	90.1 Å²	90.1	14%	0.144	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113	169.4	-61.9	-176.7	0	0	0	108.9	E364 L368 Y430 K432	E364-I366 HydrophobicContact CG-CG1 4.45Å; I366-L368 HydrophobicContact CG2-CD2 3.43Å; I366-L368 VanDerWaalsContact CG2-CD2 3.43Å; I366-L368 HydrophobicContact CG2-CG 3.88Å; I366-Y430 PolarHBondContact N-O 3.41Å; I366-Y430 PolarHBondContact O-N 2.88Å; I366-K432 HydrophobicContact CD1-CB 3.97Å; I366-K432 HydrophobicContact CD1-CD 3.54Å; I366-K432 HydrophobicContact CD1-CG 4.37Å; I366-K432 HydrophobicContact CG1-CB 4.39Å
367	Q	77.1	Confident	61.1	Low	69 Å²	69	91.5 Å²	91.5	32%	0.322	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.4	162.5	-178.3	-179.8	-32.6	0	0	107.9	Y353 P426 L429	Y353-Q367 HydrophobicContact CD2-CG 4.4Å; Q367-P426 HydrophobicContact CG-CB 3.76Å; Q367-P426 HydrophobicContact CG-CG 4.42Å; Q367-L429 HydrophobicContact CB-CD1 4Å; Q367-L429 HydrophobicContact CG-CD1 4.43Å
368	L	66	Low	59	Low	56 Å²	56	94.2 Å²	94.2	29%	0.293	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.7	173.7	-62.6	-175.9	0	0	0	111	I366 E427 Q428 Y430	I366-L368 HydrophobicContact CG2-CD2 3.43Å; I366-L368 VanDerWaalsContact CG2-CD2 3.43Å; I366-L368 HydrophobicContact CG2-CG 3.88Å; L368-E427 PolarHBondContact O-N 3.36Å; L368-Q428 HydrophobicContact CB-CB 4.44Å; L368-Q428 PolarHBondContact N-O 3.28Å; L368-Y430 HydrophobicContact CD1-CD2 4.09Å; L368-Y430 HydrophobicContact CD1-CE2 3.73Å; L368-Y430 HydrophobicContact CG-CD2 4.34Å; L368-Y430 HydrophobicContact CG-CE2 4.41Å
369	S	60.5	Low	56.9	Low	58 Å²	58	92.7 Å²	92.7	41%	0.406	52%	0.521	S	S	.	.			trans	-109.2	146.1	159.3	54.3	0	0	0	0	109.3	E371	S369-E371 PolarHBondContact O-N 3.13Å
370	N	46.8	Very low	54.9	Low	77 Å²	77	95.7 Å²	95.7	41%	0.412	53%	0.526	S	S	.	.	S	Bend	trans	-92.3	62.4	-161.2	-141.7	-20.9	0	0	0	113	E427	N370-E427 WeakPolarHBondContact CB-OE2 3.05Å; N370-E427 PolarHBondContact ND2-OE2 3.41Å
371	E	39.6	Very low	52.6	Low	140 Å²	140	97.8 Å²	97.8	65%	0.654	54%	0.543	S	S	*	.			trans	-98.2	-6.8	-176.9	-131	-177	-155.6	0	0	114.5	S369 P421	S369-E371 PolarHBondContact O-N 3.13Å; E371-P421 HydrophobicContact CG-CB 4.35Å
372	L	32.5	Very low	49.9	Very low	166 Å²	166	98 Å²	98	87%	0.869	55%	0.552	S	S	*	*			trans	-141.1	57.7	-169.5	-79	174.4	0	0	0	115.3
373	I	34.7	Very low	47.4	Very low	144 Å²	144	103.9 Å²	103.9	74%	0.738	59%	0.588	S	S	*	*			trans	-128.1	67.5	161.1	-45.5	-178	0	0	0	111.3
374	T	30.1	Very low	44.5	Very low	122 Å²	122	107.8 Å²	107.8	75%	0.748	62%	0.616	S	S	*	*	S	Bend	trans	-129.7	139.4	149.8	53.7	0	0	0	0	108.6
375	N	30.2	Very low	41.8	Very low	151 Å²	151	109 Å²	109	81%	0.807	62%	0.624	S	S	*	*	S	Bend	trans	74.1	73.1	-177.4	-42	-75.6	0	0	0	117.2
376	L	32.2	Very low	39.1	Very low	173 Å²	173	111.5 Å²	111.5	91%	0.906	64%	0.638	S	S	*	*			trans	-161.3	133.3	130.5	-133.4	71.6	0	0	0	111.3
377	P	28.7	Very low	36.6	Very low	113 Å²	113	113.7 Å²	113.7	73%	0.734	65%	0.65	S	S	*	*			trans	-95.6	137	-176.7	35	-33.5	0	0	0	114.5
378	S	27.3	Very low	34.1	Very low	109 Å²	109	117.5 Å²	117.5	76%	0.762	67%	0.667	S	S	*	*			trans	39.7	112.6	145.6	63.1	0	0	0	0	120.4
379	L	31.9	Very low	32.5	Very low	166 Å²	166	117.9 Å²	117.9	87%	0.869	67%	0.673	S	S	*	*			trans	-162.6	91.3	149.4	-112.9	160.6	0	0	0	113.4
380	V	30.6	Very low	30.8	Very low	134 Å²	134	116.7 Å²	116.7	81%	0.812	66%	0.662	S	S	*	*			trans	67.1	146	139.8	171.5	0	0	0	0	118.5
381	P	28.2	Very low	29.7	Very low	104 Å²	104	120 Å²	120	68%	0.675	67%	0.67	S	S	*	*			trans	-130.5	-172.8	-133.3	45.6	-33.4	0	0	0	117.5
382	S	24.4	Very low	29	Very low	102 Å²	102	116.1 Å²	116.1	71%	0.713	66%	0.658	S	S	*	*			trans	79	159.3	151.7	63.6	0	0	0	0	120.2
383	T	29.5	Very low	28.7	Very low	131 Å²	131	110.2 Å²	110.2	80%	0.804	63%	0.63	S	S	*	*			trans	68.1	123.6	-172.9	67.1	0	0	0	0	115.5
384	S	26.6	Very low	28.2	Very low	91 Å²	91	109 Å²	109	64%	0.636	63%	0.626	S	S	*	*			cis	94.1	78.2	12	88.3	0	0	0	0	117.5
385	I	31.5	Very low	28	Very low	109 Å²	109	108.1 Å²	108.1	56%	0.559	61%	0.612	S	S	*	*			trans	-136.5	149.5	164.1	-63.8	-175.1	0	0	0	109.9	S326	S326-I385 VanDerWaalsContact CB-CG2 3.42Å; S326-I385 WeakPolarHBondContact OG-CG2 3.5Å
386	N	30	Very low	27.8	Very low	98 Å²	98	107.8 Å²	107.8	52%	0.524	61%	0.61	S	S	.	*			trans	-73.9	149.7	-166.9	-50.8	-66.5	0	0	0	114.9
387	N	29.5	Very low	27.5	Very low	74 Å²	74	103.5 Å²	103.5	40%	0.396	59%	0.594	S	S	.	*				175.4	160.8	106.7	-88.3	-31.7	0	0	0	114.2	H324 S326	H324-N387 WeakPolarHBondContact O-CB 3.32Å; H324-N387 PolarHBondContact O-ND2 2.64Å; S326-N387 PolarHBondContact N-ND2 2.86Å
388	Q	26.4	Very low	27.4	Very low	149 Å²	149	105.9 Å²	105.9	70%	0.696	60%	0.6	S	S	*	*			trans	-99.8	178.3	-168.5	-78.3	-109.9	-8.4	0	0	113.3
389	P	32	Very low	27.3	Very low	64 Å²	64	106.1 Å²	106.1	42%	0.416	60%	0.602	S	S	.	*			cis	-116.9	-158.3	-12	5.1	19.6	0	0	0	113.3	Y321	Y321-P389 VanDerWaalsContact CE2-O 3.3Å; Y321-P389 WeakPolarHBondContact CE2-O 3.35Å; Y321-P389 PolarHBondContact OH-O 3.23Å
390	I	25	Very low	27	Very low	34 Å²	34	107.3 Å²	107.3	17%	0.174	60%	0.596	C	S	.	*			trans	109.7	123.1	151.1	-50.3	-176.7	0	0	0	115.6	P317 N318 Y321 P338	P317-I390 HydrophobicContact CB-CG2 3.71Å; P317-I390 HydrophobicContact CG-CG2 3.72Å; N318-I390 HydrophobicContact CB-CD1 3.95Å; N318-I390 VanDerWaalsContact ND2-CD1 3.33Å; N318-I390 WeakPolarHBondContact ND2-CD1 3.29Å; N318-I390 WeakPolarHBondContact ND2-CG1 3.46Å; Y321-I390 HydrophobicContact CD2-CD1 3.3Å; Y321-I390 HydrophobicContact CD2-CG1 4.01Å; Y321-I390 HydrophobicContact CE2-CD1 3.86Å; Y321-I390 HydrophobicContact CE2-CG1 4.09Å; Y321-I390 HydrophobicContact CG-CD1 3.78Å; P338-I390 HydrophobicContact CB-CB 3.8Å; P338-I390 HydrophobicContact CB-CG2 3.38Å; P338-I390 HydrophobicContact CG-CB 4.19Å; P338-I390 HydrophobicContact CG-CD1 4.14Å; P338-I390 HydrophobicContact CG-CG2 3.94Å
391	Y	23.4	Very low	26.8	Very low	147 Å²	147	109.6 Å²	109.6	58%	0.576	60%	0.598	S	S	*	*			trans	-40.3	139	-176.8	-46.4	-114.5	0	0	0	116.3	P317	P317-Y391 HydrophobicContact CB-CD2 3.33Å; P317-Y391 HydrophobicContact CB-CE2 3.93Å; P317-Y391 HydrophobicContact CB-CG 4.01Å; P317-Y391 HydrophobicContact CG-CD2 4.03Å; P317-Y391 HydrophobicContact CG-CG 4.33Å
392	S	24.5	Very low	26.8	Very low	58 Å²	58	110.9 Å²	110.9	41%	0.406	60%	0.604	S	S	.	*			trans	-165.8	133.9	131.7	33.1	0	0	0	0	113.3	E341	E341-S392 WeakPolarHBondContact OE1-CA 3.13Å
393	S	25.5	Very low	26.9	Very low	41 Å²	41	114.5 Å²	114.5	29%	0.287	61%	0.61	S	S	.	*			trans	16.9	118.3	162	63.4	0	0	0	0	122.8	E341 R425	E341-S393 PolarHBondContact OE1-N 2.71Å; S393-R425 PolarHBondContact OG-NH1 2.93Å; S393-R425 PolarHBondContact OG-NH2 2.89Å
394	N	24.3	Very low	26.6	Very low	120 Å²	120	117.4 Å²	117.4	64%	0.642	62%	0.616	S	S	*	*			trans	-8.7	127.9	145.1	-51.8	-26.5	0	0	0	117.2
395	F	26.5	Very low	26.6	Very low	102 Å²	102	121.1 Å²	121.1	45%	0.447	62%	0.623	S	S	.	*			trans	-169.6	165.9	149.3	-104.1	-79.1	0	0	0	110.7	N224	N224-F395 HydrophobicContact CB-CE1 3.5Å; N224-F395 VanDerWaalsContact CB-CE1 3.5Å; N224-F395 HydrophobicContact CB-CZ 3.5Å; N224-F395 WeakPolarHBondContact OD1-CE1 3.34Å
396	N	26.1	Very low	26.5	Very low	144 Å²	144	125.2 Å²	125.2	77%	0.77	64%	0.64	S	S	*	*			trans	71.8	94	-177.2	-55.9	-15.8	0	0	0	114.7
397	S	26.2	Very low	26.3	Very low	83 Å²	83	125.1 Å²	125.1	58%	0.58	64%	0.643	S	S	*	*			cis	81.2	122.2	29.7	106	0	0	0	0	115.7
398	L	26.5	Very low	26.2	Very low	163 Å²	163	133.5 Å²	133.5	85%	0.853	67%	0.671	S	S	*	*			trans	17.6	119.8	160.4	-62.1	88.3	0	0	0	119.5
399	S	25	Very low	26.1	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	66%	0.662	S	S	*	*				-157.7	112.7	121.9	35.9	0	0	0	0	112
400	Y	25.5	Very low	25.9	Very low	192 Å²	192	136.8 Å²	136.8	75%	0.753	68%	0.679	S	S	*	*			trans	-148.2	115.3	145.6	-128.3	-81.6	0	0	0	108.1	I485	Y400-I485 HydrophobicContact CE2-CD1 4.34Å
401	E	27.3	Very low	25.9	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	70%	0.699	S	S	*	*			trans	-82.2	119.4	176.4	-67.2	173.7	104.7	0	0	109
402	T	28	Very low	26.1	Very low	130 Å²	130	143.7 Å²	143.7	80%	0.798	72%	0.716	S	S	*	*			trans	-124.2	108.5	159.2	45.6	0	0	0	0	108.3	M404	T402-M404 PolarHBondContact O-N 2.96Å
403	Q	25	Very low	26.3	Very low	179 Å²	179	149 Å²	149	84%	0.836	73%	0.734	S	S	*	*			trans	-70.8	118.8	177.3	-64.6	169	-18.2	0	0	109.3
404	M	24.9	Very low	26.4	Very low	191 Å²	191	153 Å²	153	94%	0.941	76%	0.759	S	S	*	*			trans	-134.1	113.4	143.8	-75.5	-158	171.5	0	0	108.8	T402	T402-M404 PolarHBondContact O-N 2.96Å
405	E	26.5	Very low	26.5	Very low	169 Å²	169	153 Å²	153	79%	0.79	76%	0.764	S	S	*	*			trans	-67.9	146.4	169.8	-58.5	170.2	115.5	0	0	109.3
406	H	29.6	Very low	26.5	Very low	196 Å²	196	153.8 Å²	153.8	91%	0.907	78%	0.777	S	S	*	*				-159.3	131.3	128.3	-103.2	-164.5	0	0	0	108.9
407	T	25.3	Very low	26.4	Very low	96 Å²	96	153.8 Å²	153.8	59%	0.589	78%	0.777	S	S	*	*			trans	-106.5	132.7	-160.9	49.9	0	0	0	0	113.1
408	Y	26.6	Very low	26.5	Very low	249 Å²	249	158.2 Å²	158.2	98%	0.976	79%	0.788	S	S	*	*			trans	-134.9	85.3	143.7	-79.5	-66.9	0	0	0	110.5
409	T	25.4	Very low	26.5	Very low	82 Å²	82	157.1 Å²	157.1	50%	0.503	79%	0.788	S	S	.	*			trans	-84	143.4	171.4	51	0	0	0	0	111
410	Y	26.1	Very low	26.6	Very low	201 Å²	201	156.8 Å²	156.8	79%	0.788	78%	0.777	S	S	*	*			trans	-124.7	102.2	138.4	-109	-87.2	0	0	0	109.8	F1853	Y410-F1853 HydrophobicContact CD1-CE2 4.43Å; Y410-F1853 HydrophobicContact CE1-CD2 4.43Å; Y410-F1853 AromaticContact CE1-CE2 3.64Å; Y410-F1853 HydrophobicContact CE1-CE2 3.64Å; Y410-F1853 HydrophobicContact CE1-CZ 4.19Å; Y410-F1853 AromaticContact CZ-CE2 3.94Å
411	H	26.9	Very low	26.8	Very low	129 Å²	129	150.8 Å²	150.8	60%	0.597	76%	0.761	S	S	*	*			trans	-79.7	143.6	169.7	-67.8	-77.1	0	0	0	110
412	Q	27.3	Very low	27.2	Very low	196 Å²	196	148.9 Å²	148.9	92%	0.916	75%	0.747	S	S	*	*				-134.9	139.1	121.7	-68.7	-159.7	6.5	0	0	109.1
413	Q	27.1	Very low	27.8	Very low	169 Å²	169	149.3 Å²	149.3	79%	0.79	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-96.1	148.5	-176.4	-63.6	172.6	-38.1	0	0	111.1
414	P	27.7	Very low	28.7	Very low	125 Å²	125	144.7 Å²	144.7	81%	0.812	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-103.7	132.3	141.8	32.5	-28.8	0	0	0	110.9
415	T	27.1	Very low	29.7	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.7	137.2	179.8	48.8	0	0	0	0	114.7
416	V	26.1	Very low	31.1	Very low	118 Å²	118	130.1 Å²	130.1	72%	0.715	65%	0.649	S	S	*	*	S	Bend	trans	59.2	125.6	131.4	-179.7	0	0	0	0	118.9
417	N	24.8	Very low	32.4	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	62%	0.621	S	S	*	*			trans	66.2	80.7	162.9	-63.5	-9.6	0	0	0	118.2
418	Q	27.4	Very low	34.4	Very low	176 Å²	176	124 Å²	124	82%	0.822	61%	0.613	S	S	*	*				-159.8	88.8	119.7	-109	167.1	25.8	0	0	111.3	L420	Q418-L420 PolarHBondContact O-N 2.98Å; Q418-L420 VanDerWaalsContact O-N 3.17Å
419	V	27.5	Very low	37	Very low	139 Å²	139	112.2 Å²	112.2	84%	0.842	57%	0.568	S	S	*	*			trans	-69.6	103.8	154.8	177.2	0	0	0	0	105.7	P421	V419-P421 WeakPolarHBondContact O-CD 3.47Å
420	L	27.3	Very low	39.8	Very low	108 Å²	108	110.4 Å²	110.4	57%	0.565	55%	0.552	S	S	*	*			trans	-66.7	123.1	170.4	-75.6	166.7	0	0	0	107.6	Q418	Q418-L420 PolarHBondContact O-N 2.98Å; Q418-L420 VanDerWaalsContact O-N 3.17Å
421	P	29.6	Very low	42.7	Very low	65 Å²	65	100.8 Å²	100.8	42%	0.422	51%	0.514	S	S	.	.			trans	-60.8	158.7	-169.2	-27	35.3	0	0	0	114.5	E371 V419 Q423	E371-P421 HydrophobicContact CG-CB 4.35Å; V419-P421 WeakPolarHBondContact O-CD 3.47Å; P421-Q423 VanDerWaalsContact C-N 3.32Å; P421-Q423 PolarHBondContact O-N 2.91Å
422	Y	34.5	Very low	45.5	Very low	143 Å²	143	97 Å²	97	56%	0.561	50%	0.496	S	S	*	.			trans	-60.5	91.8	161.5	-108.9	-127.6	0	0	0	109	N424 E427	Y422-N424 PolarHBondContact O-N 2.89Å; Y422-N424 VanDerWaalsContact O-N 3.08Å; Y422-E427 VanDerWaalsContact CE1-OE1 3.31Å; Y422-E427 WeakPolarHBondContact CE1-OE1 3.12Å
423	Q	40.6	Very low	48.2	Very low	139 Å²	139	87.6 Å²	87.6	65%	0.65	45%	0.452	S	S	*	.			trans	-78.4	98.7	178.3	-67.5	-163.1	-79.2	0	0	110.6	P421 R425	P421-Q423 VanDerWaalsContact C-N 3.32Å; P421-Q423 PolarHBondContact O-N 2.91Å; Q423-R425 PolarHBondContact O-N 2.83Å
424	N	44.1	Very low	50.9	Low	81 Å²	81	83.2 Å²	83.2	43%	0.433	43%	0.432	S	S	.	.	S	Bend	trans	71.2	23.7	144	-58.1	-12.6	0	0	0	120.3	Y422 P426	Y422-N424 PolarHBondContact O-N 2.89Å; Y422-N424 VanDerWaalsContact O-N 3.08Å; N424-P426 WeakPolarHBondContact O-CD 3.42Å
425	R	47.1	Very low	53.4	Low	53 Å²	53	81.7 Å²	81.7	20%	0.2	41%	0.413	C	S	.	.			trans	-72.9	123.4	145.2	-167.5	179.7	-171.6	-137.9	1	107.4	S393 Q423 E427	S393-R425 PolarHBondContact OG-NH1 2.93Å; S393-R425 PolarHBondContact OG-NH2 2.89Å; Q423-R425 PolarHBondContact O-N 2.83Å; R425-E427 PolarHBondContact O-N 2.78Å; R425-E427 VanDerWaalsContact O-N 3.11Å
426	P	54.5	Low	55.7	Low	2 Å²	2	81.1 Å²	81.1	1%	0.013	40%	0.402	C	S	.	.			trans	-76.7	101.5	173.9	-8.4	26.1	0	0	0	108	L339 I350 Y353 Q367 N424 Q428	L339-P426 WeakPolarHBondContact CD2-O 3.48Å; I350-P426 HydrophobicContact CG2-CG 4.34Å; I350-P426 WeakPolarHBondContact O-CD 2.99Å; Y353-P426 HydrophobicContact CD2-CB 4.1Å; Y353-P426 HydrophobicContact CD2-CG 4.06Å; Y353-P426 HydrophobicContact CE2-CB 3.84Å; Y353-P426 HydrophobicContact CE2-CG 3.78Å; Q367-P426 HydrophobicContact CG-CB 3.76Å; Q367-P426 HydrophobicContact CG-CG 4.42Å; N424-P426 WeakPolarHBondContact O-CD 3.42Å; P426-Q428 VanDerWaalsContact C-N 3.27Å; P426-Q428 PolarHBondContact O-N 2.88Å
427	E	56.8	Low	58	Low	70 Å²	70	75.8 Å²	75.8	33%	0.327	37%	0.369	S	S	.	.			trans	-71.7	-23.5	-172.6	-62.6	-172.4	129	0	0	112.6	L368 N370 Y422 R425	L368-E427 PolarHBondContact O-N 3.36Å; N370-E427 WeakPolarHBondContact CB-OE2 3.05Å; N370-E427 PolarHBondContact ND2-OE2 3.41Å; Y422-E427 VanDerWaalsContact CE1-OE1 3.31Å; Y422-E427 WeakPolarHBondContact CE1-OE1 3.12Å; R425-E427 PolarHBondContact O-N 2.78Å; R425-E427 VanDerWaalsContact O-N 3.11Å
428	Q	68	Low	60.2	Low	92 Å²	92	71.6 Å²	71.6	43%	0.43	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	134.1	179.5	-57.7	-176.8	-20.8	0	0	111.2	L368 P426 Y430	L368-Q428 HydrophobicContact CB-CB 4.44Å; L368-Q428 PolarHBondContact N-O 3.28Å; P426-Q428 VanDerWaalsContact C-N 3.27Å; P426-Q428 PolarHBondContact O-N 2.88Å; Q428-Y430 HydrophobicContact CB-CD2 4.08Å; Q428-Y430 HydrophobicContact CB-CE2 3.44Å; Q428-Y430 VanDerWaalsContact CB-CE2 3.44Å; Q428-Y430 HydrophobicContact CG-CE2 4.24Å; Q428-Y430 PolarHBondContact OE1-OH 3.35Å
429	L	82.3	Confident	62.3	Low	3 Å²	3	66.3 Å²	66.3	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.2	173.6	-169.8	69	0	0	0	109	L337 L339 Y353 L365 Q367 L449	L337-L429 HydrophobicContact CB-CB 4.42Å; L337-L429 HydrophobicContact CB-CD2 4.02Å; L337-L429 HydrophobicContact CB-CG 4.12Å; L337-L429 HydrophobicContact CD1-CD2 4.46Å; L337-L429 HydrophobicContact CD1-CG 4.49Å; L337-L429 PolarHBondContact N-O 3.01Å; L339-L429 HydrophobicContact CD2-CB 3.77Å; Y353-L429 HydrophobicContact CD1-CD2 3.47Å; Y353-L429 VanDerWaalsContact CD1-CD2 3.47Å; Y353-L429 HydrophobicContact CD2-CD1 3.83Å; Y353-L429 HydrophobicContact CD2-CD2 4.06Å; Y353-L429 HydrophobicContact CD2-CG 4.42Å; Y353-L429 HydrophobicContact CE1-CD2 3.89Å; Y353-L429 HydrophobicContact CE2-CD2 4.44Å; Y353-L429 HydrophobicContact CG-CD1 3.74Å; Y353-L429 HydrophobicContact CG-CD2 3.55Å; Y353-L429 HydrophobicContact CG-CG 4.25Å; L365-L429 HydrophobicContact CD1-CD1 3.85Å; L365-L429 HydrophobicContact CD1-CG 4.06Å; L365-L429 HydrophobicContact CD2-CD1 4.29Å; L365-L429 HydrophobicContact CG-CD1 4.2Å; Q367-L429 HydrophobicContact CB-CD1 4Å; Q367-L429 HydrophobicContact CG-CD1 4.43Å; L429-L449 HydrophobicContact CD2-CD1 4.12Å; L429-L449 HydrophobicContact CD2-CD2 3.79Å; L429-L449 HydrophobicContact CD2-CG 4.48Å
430	Y	83.9	Confident	64	Low	43 Å²	43	65.5 Å²	65.5	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.5	-170.8	-69.6	-70	0	0	0	113.5	R334 L335 P336 L365 I366 L368 Q428	R334-Y430 HydrophobicContact CB-CD1 3.46Å; R334-Y430 VanDerWaalsContact CB-CD1 3.46Å; R334-Y430 HydrophobicContact CB-CD2 4.24Å; R334-Y430 HydrophobicContact CB-CE1 3.93Å; R334-Y430 HydrophobicContact CB-CG 3.62Å; R334-Y430 HydrophobicContact CG-CG 4.39Å; R334-Y430 WeakPolarHBondContact O-CD1 3.4Å; L335-Y430 CarbonylContact O-C 3.55Å; L335-Y430 VanDerWaalsContact O-CA 3.3Å; L335-Y430 WeakPolarHBondContact O-CA 3.42Å; P336-Y430 HydrophobicContact CB-CD1 4.5Å; P336-Y430 HydrophobicContact CB-CE1 4.44Å; L365-Y430 CarbonylContact C-O 3.49Å; L365-Y430 WeakPolarHBondContact CA-O 3.46Å; I366-Y430 PolarHBondContact N-O 3.41Å; I366-Y430 PolarHBondContact O-N 2.88Å; L368-Y430 HydrophobicContact CD1-CD2 4.09Å; L368-Y430 HydrophobicContact CD1-CE2 3.73Å; L368-Y430 HydrophobicContact CG-CD2 4.34Å; L368-Y430 HydrophobicContact CG-CE2 4.41Å; Q428-Y430 HydrophobicContact CB-CD2 4.08Å; Q428-Y430 HydrophobicContact CB-CE2 3.44Å; Q428-Y430 VanDerWaalsContact CB-CE2 3.44Å; Q428-Y430 HydrophobicContact CG-CE2 4.24Å; Q428-Y430 PolarHBondContact OE1-OH 3.35Å
431	L	86.1	Confident	66	Low	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	97.8	164.5	-168.4	85.1	0	0	0	108.9	L335 L337 L355 F363 E364 V433 F447 L465 I467	L335-L431 HydrophobicContact CB-CB 4.25Å; L335-L431 WeakPolarHBondContact CB-O 3.19Å; L335-L431 HydrophobicContact CD1-CD2 4.35Å; L335-L431 PolarHBondContact N-O 2.88Å; L335-L431 PolarHBondContact O-N 2.84Å; L337-L431 HydrophobicContact CD1-CB 4.17Å; L337-L431 HydrophobicContact CD2-CB 3.88Å; L337-L431 HydrophobicContact CG-CB 3.98Å; L355-L431 HydrophobicContact CD1-CD1 4.21Å; L355-L431 HydrophobicContact CD2-CD1 3.41Å; L355-L431 VanDerWaalsContact CD2-CD1 3.41Å; L355-L431 HydrophobicContact CG-CD1 4.5Å; F363-L431 HydrophobicContact CB-CD1 3.9Å; F363-L431 HydrophobicContact CB-CD2 3.95Å; F363-L431 HydrophobicContact CB-CG 3.78Å; F363-L431 HydrophobicContact CD1-CD2 3.36Å; F363-L431 HydrophobicContact CD1-CG 3.64Å; F363-L431 HydrophobicContact CE1-CD2 3.95Å; F363-L431 HydrophobicContact CG-CD2 3.69Å; F363-L431 HydrophobicContact CG-CG 3.98Å; E364-L431 CarbonylContact O-C 3.49Å; E364-L431 WeakPolarHBondContact O-CA 3.44Å; L431-V433 PolarHBondContact O-N 3.46Å; L431-F447 HydrophobicContact CD1-CD2 4.31Å; L431-F447 HydrophobicContact CD2-CD2 4.31Å; L431-F447 HydrophobicContact CD2-CE2 4.3Å; L431-L465 HydrophobicContact CD1-CD2 4.17Å; L431-L465 HydrophobicContact CD2-CD2 4.13Å; L431-I467 HydrophobicContact CD2-CD1 3.44Å; L431-I467 VanDerWaalsContact CD2-CD1 3.44Å
432	K	85.5	Confident	67.8	Low	48 Å²	48	67 Å²	67	21%	0.209	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	113.9	-177.4	173.5	-179.6	155	-134.7	0	111.4	S333 R334 F363 E364 I366 M434	S333-K432 CarbonylContact O-C 3.59Å; S333-K432 WeakPolarHBondContact O-CA 3.29Å; R334-K432 HydrophobicContact CG-CB 4.27Å; R334-K432 HydrophobicContact CG-CG 4.46Å; F363-K432 VanDerWaalsContact CA-O 3.28Å; F363-K432 WeakPolarHBondContact CA-O 3.41Å; E364-K432 HydrophobicContact CB-CB 4.29Å; E364-K432 PolarHBondContact N-O 2.73Å; E364-K432 PolarHBondContact O-N 2.81Å; E364-K432 WeakPolarHBondContact OE2-CD 3.46Å; E364-K432 IonicContact OE2-NZ 2.81Å; E364-K432 PolarHBondContact OE2-NZ 2.77Å; I366-K432 HydrophobicContact CD1-CB 3.97Å; I366-K432 HydrophobicContact CD1-CD 3.54Å; I366-K432 HydrophobicContact CD1-CG 4.37Å; I366-K432 HydrophobicContact CG1-CB 4.39Å; K432-M434 HydrophobicContact CD-SD 4.08Å; K432-M434 WeakPolarHBondContact CE-SD 3.22Å; K432-M434 HydrophobicContact CG-SD 4.1Å; K432-M434 PolarHBondContact NZ-SD 3.26Å
433	V	84.3	Confident	69.7	Low	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	131.2	163.9	176.7	0	0	0	0	109.8	I329 G332 S333 L335 T362 F363 L431 K435	I329-V433 HydrophobicContact CD1-CG2 3.83Å; I329-V433 HydrophobicContact CG1-CG2 4.21Å; I329-V433 HydrophobicContact CG2-CG2 4.49Å; G332-V433 CarbonylContact C-O 3.47Å; G332-V433 WeakPolarHBondContact CA-O 3.31Å; G332-V433 PolarHBondContact N-O 3.49Å; S333-V433 WeakPolarHBondContact O-CB 3.24Å; S333-V433 WeakPolarHBondContact O-CG2 3.28Å; S333-V433 PolarHBondContact O-N 3.37Å; L335-V433 HydrophobicContact CD1-CG2 4.08Å; L335-V433 HydrophobicContact CG-CG2 4.13Å; T362-V433 CarbonylContact O-C 3.43Å; T362-V433 WeakPolarHBondContact O-CA 3.29Å; F363-V433 HydrophobicContact CD1-CG2 4.38Å; F363-V433 HydrophobicContact CE1-CB 4.37Å; F363-V433 HydrophobicContact CE1-CG2 3.68Å; L431-V433 PolarHBondContact O-N 3.46Å; V433-K435 WeakPolarHBondContact CG1-O 3.27Å
434	M	83.6	Confident	71.5	Confident	76 Å²	76	65 Å²	65	37%	0.374	30%	0.302	S	S	.	.			trans	-111.2	-7.4	-178.9	-61.6	-69.7	-85.5	0	0	113.4	D361 T362 E364 K432	D361-M434 WeakPolarHBondContact O-CB 3.1Å; D361-M434 WeakPolarHBondContact O-CG 3.01Å; T362-M434 WeakPolarHBondContact O-CB 3.36Å; T362-M434 PolarHBondContact O-N 3.48Å; E364-M434 HydrophobicContact CB-SD 4.36Å; K432-M434 HydrophobicContact CD-SD 4.08Å; K432-M434 WeakPolarHBondContact CE-SD 3.22Å; K432-M434 HydrophobicContact CG-SD 4.1Å; K432-M434 PolarHBondContact NZ-SD 3.26Å
435	K	79.8	Confident	73.4	Confident	94 Å²	94	62.3 Å²	62.3	41%	0.409	29%	0.285	S	S	.	.	S	Bend	trans	-147	144.9	-177	-62.1	173.3	-175.7	166.6	0	109.4	D361 T362 V433	D361-K435 IonicContact OD1-NZ 2.81Å; D361-K435 PolarHBondContact OD1-NZ 2.79Å; D361-K435 WeakPolarHBondContact OD2-CE 3.02Å; D361-K435 IonicContact OD2-NZ 2.68Å; D361-K435 PolarHBondContact OD2-NZ 2.66Å; T362-K435 HydrophobicContact CG2-CB 4.46Å; V433-K435 WeakPolarHBondContact CG1-O 3.27Å
436	Q	75.1	Confident	75.2	Confident	110 Å²	110	65.3 Å²	65.3	51%	0.514	30%	0.302	S	S	.	.			trans	-67.2	142.5	-174.2	-166.7	132.3	-12.1	0	0	111.1	V331	V331-Q436 HydrophobicContact CG2-CB 3.71Å
437	L	76.2	Confident	76.8	Confident	5 Å²	5	66 Å²	66	3%	0.026	30%	0.304	C	S	.	.			trans	-107.1	169	163.1	-38.6	-179.2	0	0	0	108.4	V325 E327 I329 Y445 V469	V325-L437 HydrophobicContact CB-CD1 4.29Å; V325-L437 HydrophobicContact CG1-CD1 3.57Å; E327-L437 CarbonylContact O-C 3.59Å; I329-L437 HydrophobicContact CG2-CB 3.79Å; I329-L437 HydrophobicContact CG2-CD1 3.55Å; I329-L437 HydrophobicContact CG2-CG 3.59Å; L437-Y445 HydrophobicContact CD2-CE2 4.09Å; L437-Y445 WeakPolarHBondContact CD2-OH 3.19Å; L437-V469 HydrophobicContact CB-CG1 4.44Å; L437-V469 HydrophobicContact CB-CG2 4.34Å; L437-V469 HydrophobicContact CD1-CG2 3.56Å; L437-V469 HydrophobicContact CG-CG2 4.46Å
438	D	71.3	Confident	78.2	Confident	57 Å²	57	66 Å²	66	31%	0.305	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-178.1	137.5	-169.4	-175.6	105.1	0	0	0	103.5	E327 E440 T441 K442	E327-D438 PolarHBondContact O-N 2.68Å; E327-D438 WeakPolarHBondContact OE2-CA 3.48Å; D438-E440 WeakPolarHBondContact OD2-CA 3.21Å; D438-E440 WeakPolarHBondContact OD2-CB 3.26Å; D438-T441 CarbonylContact O-C 3.48Å; D438-T441 VanDerWaalsContact O-C 3.24Å; D438-T441 VanDerWaalsContact O-CA 3.31Å; D438-T441 WeakPolarHBondContact O-CA 3.46Å; D438-T441 PolarHBondContact O-N 2.87Å; D438-T441 VanDerWaalsContact O-N 3.12Å; D438-T441 VanDerWaalsContact OD2-CB 3.26Å; D438-T441 WeakPolarHBondContact OD2-CB 3.43Å; D438-T441 PolarHBondContact OD2-N 2.82Å; D438-T441 PolarHBondContact OD2-OG1 2.98Å; D438-K442 PolarHBondContact O-N 3.19Å
439	W	71	Confident	79.2	Confident	64 Å²	64	61.7 Å²	61.7	24%	0.242	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-25.9	-176.5	158.3	121.1	0	0	0	110	E327 T441 R443 V469 T470 D471	E327-W439 HydrophobicContact CB-CB 3.46Å; E327-W439 VanDerWaalsContact CB-CB 3.46Å; E327-W439 HydrophobicContact CG-CB 3.99Å; E327-W439 VanDerWaalsContact OE1-C 3.32Å; E327-W439 WeakPolarHBondContact OE1-CA 3.44Å; E327-W439 WeakPolarHBondContact OE1-CB 3.42Å; E327-W439 PolarHBondContact OE1-N 2.78Å; E327-W439 PolarHBondContact OE2-N 2.88Å; W439-T441 VanDerWaalsContact CA-N 3.3Å; W439-T441 PolarHBondContact O-N 3.37Å; W439-R443 VanDerWaalsContact CG-CZ 3.48Å; W439-R443 PolarHBondContact O-NE 2.93Å; W439-R443 PolarHBondContact O-NH2 3.23Å; W439-V469 HydrophobicContact CB-CG1 4.24Å; W439-T470 WeakPolarHBondContact CB-O 3.24Å; W439-T470 VanDerWaalsContact CD1-O 3.25Å; W439-T470 VanDerWaalsContact CG-O 3.23Å; W439-D471 HydrophobicContact CD2-CB 3.98Å; W439-D471 HydrophobicContact CE3-CB 4.48Å; W439-D471 HydrophobicContact CH2-CB 4.11Å; W439-D471 WeakPolarHBondContact CH2-OD1 3.43Å; W439-D471 VanDerWaalsContact CH2-OD2 3.3Å; W439-D471 WeakPolarHBondContact CH2-OD2 3.44Å; W439-D471 HydrophobicContact CZ2-CB 3.49Å; W439-D471 VanDerWaalsContact CZ2-CB 3.49Å; W439-D471 WeakPolarHBondContact CZ2-OD2 3.17Å; W439-D471 VanDerWaalsContact NE1-N 3.18Å
440	E	63.6	Low	79.5	Confident	123 Å²	123	63.7 Å²	63.7	58%	0.575	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn		-32.6	-20	128.3	-83.2	86.1	-103.4	0	0	113.2	E327 D438	E327-E440 VanDerWaalsContact OE1-CD 3.29Å; E327-E440 PolarHBondContact OE1-N 3.36Å; D438-E440 WeakPolarHBondContact OD2-CA 3.21Å; D438-E440 WeakPolarHBondContact OD2-CB 3.26Å
441	T	68.2	Low	79.7	Confident	100 Å²	100	61.9 Å²	61.9	61%	0.613	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-86.4	170.9	-52.1	0	0	0	0	120.9	D438 W439	D438-T441 CarbonylContact O-C 3.48Å; D438-T441 VanDerWaalsContact O-C 3.24Å; D438-T441 VanDerWaalsContact O-CA 3.31Å; D438-T441 WeakPolarHBondContact O-CA 3.46Å; D438-T441 PolarHBondContact O-N 2.87Å; D438-T441 VanDerWaalsContact O-N 3.12Å; D438-T441 VanDerWaalsContact OD2-CB 3.26Å; D438-T441 WeakPolarHBondContact OD2-CB 3.43Å; D438-T441 PolarHBondContact OD2-N 2.82Å; D438-T441 PolarHBondContact OD2-OG1 2.98Å; W439-T441 VanDerWaalsContact CA-N 3.3Å; W439-T441 PolarHBondContact O-N 3.37Å
442	K	67	Low	79.8	Confident	103 Å²	103	64.4 Å²	64.4	45%	0.448	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-148.7	143.7	-155.3	175.6	-93.2	170.5	178.9	0	118	D438 Y445	D438-K442 PolarHBondContact O-N 3.19Å; K442-Y445 PolarHBondContact NZ-OH 2.83Å
443	R	74	Confident	79.9	Confident	107 Å²	107	62.3 Å²	62.3	40%	0.404	29%	0.293	S	S	.	.			trans	-136	16.3	-140.5	-43.2	-175.8	-171.3	171	-4.8	128	W439 V469	W439-R443 VanDerWaalsContact CG-CZ 3.48Å; W439-R443 PolarHBondContact O-NE 2.93Å; W439-R443 PolarHBondContact O-NH2 3.23Å; R443-V469 HydrophobicContact CB-CB 3.79Å; R443-V469 HydrophobicContact CB-CG2 4.37Å; R443-V469 HydrophobicContact CG-CB 4.1Å; R443-V469 PolarHBondContact O-N 3.36Å
444	Q	79	Confident	79.9	Confident	134 Å²	134	64.5 Å²	64.5	63%	0.626	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-168.7	157.6	172.4	51.4	172.9	-123.6	0	0	120.4	I467	Q444-I467 CarbonylContact C-O 3.13Å; Q444-I467 VanDerWaalsContact CA-O 3.24Å; Q444-I467 WeakPolarHBondContact CA-O 3.25Å; Q444-I467 WeakPolarHBondContact CB-O 3.24Å
445	Y	85.3	Confident	79.6	Confident	24 Å²	24	61.3 Å²	61.3	9%	0.094	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	175.9	-178.6	-42.6	-104.9	0	0	0	116.4	D360 T362 F363 L437 K442 I467	D360-Y445 WeakPolarHBondContact OD2-CD1 3.26Å; T362-Y445 HydrophobicContact CG2-CE1 3.72Å; T362-Y445 WeakPolarHBondContact OG1-CE1 2.92Å; F363-Y445 HydrophobicContact CD2-CD1 4.4Å; F363-Y445 HydrophobicContact CD2-CG 4.38Å; F363-Y445 AromaticContact CE2-CD1 3.83Å; F363-Y445 HydrophobicContact CE2-CD1 3.83Å; F363-Y445 AromaticContact CE2-CD2 3.61Å; F363-Y445 HydrophobicContact CE2-CD2 3.61Å; F363-Y445 HydrophobicContact CE2-CE1 4.08Å; F363-Y445 AromaticContact CE2-CE2 3.94Å; F363-Y445 HydrophobicContact CE2-CE2 3.94Å; F363-Y445 AromaticContact CE2-CG 3.57Å; F363-Y445 HydrophobicContact CE2-CG 3.57Å; F363-Y445 HydrophobicContact CZ-CD2 4.07Å; F363-Y445 HydrophobicContact CZ-CE2 4.24Å; F363-Y445 HydrophobicContact CZ-CG 4.46Å; L437-Y445 HydrophobicContact CD2-CE2 4.09Å; L437-Y445 WeakPolarHBondContact CD2-OH 3.19Å; K442-Y445 PolarHBondContact NZ-OH 2.83Å; Y445-I467 HydrophobicContact CD2-CB 4.23Å; Y445-I467 HydrophobicContact CD2-CG2 3.98Å; Y445-I467 PolarHBondContact N-O 2.79Å; Y445-I467 PolarHBondContact O-N 3.45Å
446	H	84.3	Confident	79.6	Confident	117 Å²	117	61.9 Å²	61.9	54%	0.542	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	145.9	-176.7	-74.4	69.6	0	0	0	117.5	L465	H446-L465 CarbonylContact C-O 3.5Å; H446-L465 WeakPolarHBondContact CA-O 3.23Å
447	F	88.4	Confident	79.9	Confident	16 Å²	16	61.3 Å²	61.3	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	-167.4	178.9	-52.5	-63.1	0	0	0	118.1	L355 T357 D360 F363 L431 L465 I467	L355-F447 HydrophobicContact CD1-CB 4.29Å; T357-F447 HydrophobicContact CG2-CD1 4.31Å; T357-F447 HydrophobicContact CG2-CE1 4.41Å; T357-F447 WeakPolarHBondContact O-CE1 3.42Å; D360-F447 HydrophobicContact CB-CE1 4.02Å; D360-F447 HydrophobicContact CB-CZ 4.07Å; F363-F447 HydrophobicContact CB-CE2 3.62Å; F363-F447 HydrophobicContact CB-CZ 3.91Å; F363-F447 AromaticContact CD2-CE2 3.57Å; F363-F447 HydrophobicContact CD2-CE2 3.57Å; F363-F447 AromaticContact CD2-CZ 3.84Å; F363-F447 HydrophobicContact CD2-CZ 3.84Å; F363-F447 AromaticContact CG-CE2 3.79Å; F363-F447 HydrophobicContact CG-CE2 3.79Å; F363-F447 HydrophobicContact CG-CZ 4.27Å; L431-F447 HydrophobicContact CD1-CD2 4.31Å; L431-F447 HydrophobicContact CD2-CD2 4.31Å; L431-F447 HydrophobicContact CD2-CE2 4.3Å; F447-L465 HydrophobicContact CB-CB 4.23Å; F447-L465 HydrophobicContact CB-CD2 4.13Å; F447-L465 HydrophobicContact CB-CG 4.31Å; F447-L465 HydrophobicContact CD2-CD2 4.19Å; F447-L465 HydrophobicContact CD2-CG 4.49Å; F447-L465 PolarHBondContact N-O 3.05Å; F447-L465 PolarHBondContact O-N 2.81Å; F447-I467 HydrophobicContact CD2-CD1 4.08Å; F447-I467 HydrophobicContact CE2-CD1 3.8Å
448	I	86	Confident	80.2	Confident	71 Å²	71	63.3 Å²	63.3	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.2	175.3	-61.6	173.8	0	0	0	113	L355 L356	L355-I448 WeakPolarHBondContact CA-O 3.21Å; L355-I448 VanDerWaalsContact CD1-O 3.28Å; L355-I448 WeakPolarHBondContact CD1-O 3.32Å; L356-I448 HydrophobicContact CB-CB 4.36Å; L356-I448 HydrophobicContact CD1-CB 4.42Å; L356-I448 HydrophobicContact CD1-CG2 4.15Å; L356-I448 PolarHBondContact N-O 3.45Å
449	L	88.9	Confident	81	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.4	-174.9	-173.3	81.2	0	0	0	115.2	F316 L337 Q354 L355 L365 L429 E462 M463	F316-L449 HydrophobicContact CE1-CD2 3.54Å; F316-L449 HydrophobicContact CE1-CG 4.44Å; F316-L449 HydrophobicContact CZ-CD2 3.55Å; F316-L449 HydrophobicContact CZ-CG 3.96Å; L337-L449 HydrophobicContact CB-CD2 4.41Å; L337-L449 HydrophobicContact CD1-CD1 3.9Å; L337-L449 HydrophobicContact CD1-CD2 4.08Å; Q354-L449 CarbonylContact O-C 3.48Å; Q354-L449 VanDerWaalsContact O-CA 3.3Å; Q354-L449 WeakPolarHBondContact O-CA 3.11Å; Q354-L449 WeakPolarHBondContact O-CD1 3.2Å; L355-L449 HydrophobicContact CB-CD1 4.13Å; L355-L449 HydrophobicContact CD1-CB 4.3Å; L355-L449 HydrophobicContact CD1-CD1 3.95Å; L365-L449 HydrophobicContact CD1-CD1 3.82Å; L365-L449 HydrophobicContact CD2-CD1 4.33Å; L429-L449 HydrophobicContact CD2-CD1 4.12Å; L429-L449 HydrophobicContact CD2-CD2 3.79Å; L429-L449 HydrophobicContact CD2-CG 4.48Å; L449-E462 CarbonylContact O-C 3.51Å; L449-M463 HydrophobicContact CB-CE 4.38Å; L449-M463 HydrophobicContact CD2-CE 3.69Å; L449-M463 PolarHBondContact N-O 3.48Å; L449-M463 PolarHBondContact O-N 2.81Å
450	N	89.1	Confident	81.8	Confident	45 Å²	45	66 Å²	66	24%	0.241	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.5	177.2	-72.1	45.3	0	0	0	114.2	Y353 Q354 G461 E462	Y353-N450 VanDerWaalsContact CA-O 3.3Å; Y353-N450 WeakPolarHBondContact CA-O 3.3Å; Q354-N450 PolarHBondContact N-O 3.42Å; Q354-N450 PolarHBondContact O-N 3.32Å; N450-G461 CarbonylContact C-O 3.57Å; N450-G461 WeakPolarHBondContact CA-O 3.28Å; N450-E462 PolarHBondContact ND2-OE1 2.82Å
451	A	87.5	Confident	82.9	Confident	5 Å²	5	60.7 Å²	60.7	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.3	178.4	0	0	0	0	0	114.6	F316 A340 R352 Y353 T460 G461	F316-A451 HydrophobicContact CE1-CB 4.48Å; F316-A451 HydrophobicContact CE2-CB 3.69Å; F316-A451 HydrophobicContact CZ-CB 3.62Å; A340-A451 HydrophobicContact CB-CB 3.88Å; R352-A451 WeakPolarHBondContact O-CA 3.24Å; Y353-A451 HydrophobicContact CD1-CB 3.64Å; Y353-A451 HydrophobicContact CE1-CB 3.53Å; A451-T460 VanDerWaalsContact O-CA 3.24Å; A451-T460 WeakPolarHBondContact O-CA 3.41Å; A451-T460 WeakPolarHBondContact O-CB 3.18Å; A451-G461 PolarHBondContact N-O 3.26Å; A451-G461 PolarHBondContact O-N 3.42Å
452	E	88.3	Confident	83.9	Confident	54 Å²	54	62.4 Å²	62.4	25%	0.252	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	147.1	-172.1	-174.9	175	148.1	0	0	112.8	I350 I351 R352 F459 T460	I350-E452 CarbonylContact C-O 3.24Å; I350-E452 WeakPolarHBondContact CA-O 3.46Å; I351-E452 PolarHBondContact N-O 3.3Å; R352-E452 HydrophobicContact CG-CB 4.04Å; R352-E452 IonicContact CZ-OE1 2.66Å; R352-E452 VanDerWaalsContact CZ-OE1 3.24Å; R352-E452 IonicContact CZ-OE2 2.64Å; R352-E452 PolarHBondContact N-O 2.89Å; R352-E452 VanDerWaalsContact NE-CD 3.26Å; R352-E452 IonicContact NE-OE1 2.69Å; R352-E452 PolarHBondContact NE-OE1 3.49Å; R352-E452 IonicContact NE-OE2 3.15Å; R352-E452 PolarHBondContact NE-OE2 2.91Å; R352-E452 IonicContact NH2-OE1 2.75Å; R352-E452 PolarHBondContact NH2-OE1 2.87Å; R352-E452 IonicContact NH2-OE2 2.62Å; R352-E452 PolarHBondContact NH2-OE2 3.02Å; R352-E452 PolarHBondContact O-N 3Å; E452-F459 WeakPolarHBondContact CA-O 3.49Å; E452-T460 HydrophobicContact CB-CG2 3.95Å; E452-T460 HydrophobicContact CG-CG2 3.88Å
453	D	86.2	Confident	84.8	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.312	C	S	.	.			trans	-100.1	-178	-179.5	62	53.9	0	0	0	115.9	P314 I351 G455 A458 F459	P314-D453 WeakPolarHBondContact CD-OD2 3.28Å; P314-D453 HydrophobicContact CG-CB 3.58Å; I351-D453 VanDerWaalsContact CG2-O 3.25Å; I351-D453 WeakPolarHBondContact CG2-O 3.46Å; D453-G455 WeakPolarHBondContact OD1-CA 3.44Å; D453-G455 PolarHBondContact OD1-N 3.25Å; D453-A458 WeakPolarHBondContact OD1-CA 3.2Å; D453-A458 WeakPolarHBondContact OD1-CB 3.3Å; D453-F459 VanDerWaalsContact CG-N 3.3Å; D453-F459 PolarHBondContact N-O 2.85Å; D453-F459 PolarHBondContact OD1-N 3.06Å; D453-F459 VanDerWaalsContact OD1-N 3.11Å; D453-F459 VanDerWaalsContact OD2-C 3.31Å; D453-F459 WeakPolarHBondContact OD2-CA 3.34Å; D453-F459 WeakPolarHBondContact OD2-CB 3.3Å; D453-F459 PolarHBondContact OD2-N 3.13Å
454	S	84.6	Confident	85.3	Confident	46 Å²	46	55 Å²	55	32%	0.322	31%	0.309	S	S	.	.	S	Bend	trans	-96.4	16.2	177	66.7	0	0	0	0	114.7	D347 Y348 N349	D347-S454 PolarHBondContact O-OG 2.76Å; Y348-S454 VanDerWaalsContact CA-OG 3.25Å; Y348-S454 WeakPolarHBondContact CA-OG 3.42Å; N349-S454 PolarHBondContact N-OG 2.78Å; N349-S454 PolarHBondContact O-N 2.89Å; N349-S454 PolarHBondContact O-OG 2.96Å
455	G	78.8	Confident	85.6	Confident	8 Å²	8	48.7 Å²	48.7	8%	0.082	28%	0.28	C	S	.	.			trans	-71.3	179	-175.2	0	0	0	0	0	116.2	N310 D453 P457	N310-G455 WeakPolarHBondContact OD1-CA 3.07Å; D453-G455 WeakPolarHBondContact OD1-CA 3.44Å; D453-G455 PolarHBondContact OD1-N 3.25Å; G455-P457 VanDerWaalsContact C-C 3.48Å; G455-P457 CarbonylContact C-O 3.51Å
456	S	79.9	Confident	85.6	Confident	106 Å²	106	50.4 Å²	50.4	74%	0.741	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.7	89.1	175.7	-80.9	0	0	0	0	111.9
457	P	80.3	Confident	85.5	Confident	99 Å²	99	44.9 Å²	44.9	64%	0.643	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	cis	-68	153.1	2.7	31.2	-37.1	0	0	0	112.9	G455 F459	G455-P457 VanDerWaalsContact C-C 3.48Å; G455-P457 CarbonylContact C-O 3.51Å; P457-F459 HydrophobicContact CG-CE1 4.5Å
458	A	83.4	Confident	85	Confident	47 Å²	47	46.3 Å²	46.3	39%	0.388	27%	0.272	S	S	.	.			trans	-86.7	148	174.9	0	0	0	0	0	111.7	D453	D453-A458 WeakPolarHBondContact OD1-CA 3.2Å; D453-A458 WeakPolarHBondContact OD1-CB 3.3Å
459	F	86.5	Confident	84.5	Confident	82 Å²	82	43.3 Å²	43.3	36%	0.36	26%	0.257	S	S	.	.			trans	-107.4	171.5	175	-48	-58.3	0	0	0	111.9	N312 A313 E452 D453 P457	N312-F459 WeakPolarHBondContact O-CD2 3.37Å; A313-F459 HydrophobicContact CB-CB 3.59Å; A313-F459 HydrophobicContact CB-CD2 3.86Å; A313-F459 HydrophobicContact CB-CG 3.96Å; E452-F459 WeakPolarHBondContact CA-O 3.49Å; D453-F459 VanDerWaalsContact CG-N 3.3Å; D453-F459 PolarHBondContact N-O 2.85Å; D453-F459 PolarHBondContact OD1-N 3.06Å; D453-F459 VanDerWaalsContact OD1-N 3.11Å; D453-F459 VanDerWaalsContact OD2-C 3.31Å; D453-F459 WeakPolarHBondContact OD2-CA 3.34Å; D453-F459 WeakPolarHBondContact OD2-CB 3.3Å; D453-F459 PolarHBondContact OD2-N 3.13Å; P457-F459 HydrophobicContact CG-CE1 4.5Å
460	T	88.4	Confident	83.3	Confident	95 Å²	95	44.9 Å²	44.9	58%	0.583	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.4	159.9	-168.7	51.1	0	0	0	0	113.1	A451 E452	A451-T460 VanDerWaalsContact O-CA 3.24Å; A451-T460 WeakPolarHBondContact O-CA 3.41Å; A451-T460 WeakPolarHBondContact O-CB 3.18Å; E452-T460 HydrophobicContact CB-CG2 3.95Å; E452-T460 HydrophobicContact CG-CG2 3.88Å
461	G	86.1	Confident	82	Confident	12 Å²	12	46.3 Å²	46.3	12%	0.124	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.7	175.3	0	0	0	0	0	113.9	F316 N450 A451	F316-G461 WeakPolarHBondContact CE2-O 3.3Å; N450-G461 CarbonylContact C-O 3.57Å; N450-G461 WeakPolarHBondContact CA-O 3.28Å; A451-G461 PolarHBondContact N-O 3.26Å; A451-G461 PolarHBondContact O-N 3.42Å
462	E	88.9	Confident	80.5	Confident	136 Å²	136	47.5 Å²	47.5	64%	0.636	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.2	-174.2	-51.1	-165.5	131	0	0	113.4	F316 L449 N450	F316-E462 VanDerWaalsContact CD2-C 3.5Å; L449-E462 CarbonylContact O-C 3.51Å; N450-E462 PolarHBondContact ND2-OE1 2.82Å
463	M	87.1	Confident	79.4	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	144.9	-180	-175.3	-175.2	77.4	0	0	113	F316 N318 P319 Y321 P338 L449	F316-M463 HydrophobicContact CB-CB 4.16Å; F316-M463 HydrophobicContact CB-SD 4.46Å; F316-M463 HydrophobicContact CD1-CB 4.33Å; F316-M463 HydrophobicContact CD1-SD 4.21Å; F316-M463 HydrophobicContact CD2-CB 3.83Å; F316-M463 HydrophobicContact CE2-CB 4.25Å; F316-M463 HydrophobicContact CG-CB 3.85Å; F316-M463 HydrophobicContact CG-SD 4.42Å; N318-M463 WeakPolarHBondContact O-CG 3.34Å; P319-M463 WeakPolarHBondContact O-CA 3.46Å; Y321-M463 HydrophobicContact CD1-CE 3.79Å; Y321-M463 HydrophobicContact CD1-SD 4.44Å; Y321-M463 HydrophobicContact CG-CE 4.25Å; Y321-M463 HydrophobicContact CG-SD 4.37Å; P338-M463 HydrophobicContact CG-CE 3.78Å; P338-M463 HydrophobicContact CG-SD 3.55Å; P338-M463 VanDerWaalsContact CG-SD 3.55Å; L449-M463 HydrophobicContact CB-CE 4.38Å; L449-M463 HydrophobicContact CD2-CE 3.69Å; L449-M463 PolarHBondContact N-O 3.48Å; L449-M463 PolarHBondContact O-N 2.81Å
464	S	84.9	Confident	78.3	Confident	49 Å²	49	51 Å²	51	34%	0.343	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	151.7	172.1	-174.7	0	0	0	0	113	P319 Q320 Y321	P319-S464 PolarHBondContact O-N 3.21Å; Q320-S464 CarbonylContact C-O 3.58Å; Q320-S464 WeakPolarHBondContact CA-O 3.19Å; Y321-S464 PolarHBondContact N-O 2.74Å
465	L	85.5	Confident	77.5	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.5	-166.6	174.6	56.2	0	0	0	113.1	Y321 I323 L337 L355 L431 H446 F447	Y321-L465 HydrophobicContact CD1-CD1 3.76Å; Y321-L465 HydrophobicContact CE1-CD1 4.33Å; Y321-L465 HydrophobicContact CG-CD1 4.46Å; Y321-L465 CarbonylContact O-C 3.56Å; Y321-L465 VanDerWaalsContact O-CA 3.27Å; Y321-L465 WeakPolarHBondContact O-CA 3.22Å; I323-L465 HydrophobicContact CD1-CD1 3.72Å; I323-L465 HydrophobicContact CG1-CD1 3.81Å; L337-L465 HydrophobicContact CD1-CD2 4.31Å; L337-L465 HydrophobicContact CD2-CD1 4.03Å; L337-L465 HydrophobicContact CD2-CD2 3.77Å; L355-L465 HydrophobicContact CD1-CD2 3.99Å; L431-L465 HydrophobicContact CD1-CD2 4.17Å; L431-L465 HydrophobicContact CD2-CD2 4.13Å; H446-L465 CarbonylContact C-O 3.5Å; H446-L465 WeakPolarHBondContact CA-O 3.23Å; F447-L465 HydrophobicContact CB-CB 4.23Å; F447-L465 HydrophobicContact CB-CD2 4.13Å; F447-L465 HydrophobicContact CB-CG 4.31Å; F447-L465 HydrophobicContact CD2-CD2 4.19Å; F447-L465 HydrophobicContact CD2-CG 4.49Å; F447-L465 PolarHBondContact N-O 3.05Å; F447-L465 PolarHBondContact O-N 2.81Å
466	M	83.9	Confident	77.2	Confident	60 Å²	60	53.8 Å²	53.8	30%	0.296	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.2	178.3	-175.8	-172.6	-46.7	0	0	111.1	Y321 T322 I323 I468	Y321-M466 PolarHBondContact O-N 3.36Å; T322-M466 WeakPolarHBondContact CA-O 3.29Å; T322-M466 HydrophobicContact CG2-CB 3.95Å; T322-M466 HydrophobicContact CG2-CG 3.9Å; T322-M466 HydrophobicContact CG2-SD 3.81Å; I323-M466 PolarHBondContact N-O 3.34Å; M466-I468 HydrophobicContact SD-CD1 4.14Å
467	I	83	Confident	77.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	128.4	-169.9	-46.5	-172.1	0	0	0	111.5	I323 V325 F363 L431 Q444 Y445 F447	I323-I467 CarbonylContact O-C 3.49Å; I323-I467 VanDerWaalsContact O-CA 3.24Å; I323-I467 WeakPolarHBondContact O-CA 3.25Å; V325-I467 HydrophobicContact CB-CG2 4.18Å; V325-I467 HydrophobicContact CG2-CG2 3.38Å; F363-I467 HydrophobicContact CD1-CD1 4.28Å; F363-I467 HydrophobicContact CD2-CD1 3.88Å; F363-I467 HydrophobicContact CE1-CD1 4.02Å; F363-I467 HydrophobicContact CE2-CD1 3.64Å; F363-I467 HydrophobicContact CG-CD1 4.2Å; F363-I467 HydrophobicContact CZ-CD1 3.71Å; F363-I467 HydrophobicContact CZ-CG2 4.03Å; L431-I467 HydrophobicContact CD2-CD1 3.44Å; L431-I467 VanDerWaalsContact CD2-CD1 3.44Å; Q444-I467 CarbonylContact C-O 3.13Å; Q444-I467 VanDerWaalsContact CA-O 3.24Å; Q444-I467 WeakPolarHBondContact CA-O 3.25Å; Q444-I467 WeakPolarHBondContact CB-O 3.24Å; Y445-I467 HydrophobicContact CD2-CB 4.23Å; Y445-I467 HydrophobicContact CD2-CG2 3.98Å; Y445-I467 PolarHBondContact N-O 2.79Å; Y445-I467 PolarHBondContact O-N 3.45Å; F447-I467 HydrophobicContact CD2-CD1 4.08Å; F447-I467 HydrophobicContact CE2-CD1 3.8Å
468	I	78.1	Confident	77.7	Confident	47 Å²	47	48 Å²	48	24%	0.241	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	134.6	-174.6	-53.6	-178.1	0	0	0	112.2	T322 I323 H324 V325 M466	T322-I468 HydrophobicContact CG2-CD1 3.98Å; T322-I468 HydrophobicContact CG2-CG1 4.25Å; I323-I468 PolarHBondContact O-N 3.33Å; H324-I468 CarbonylContact C-O 3.53Å; H324-I468 VanDerWaalsContact CA-O 3.27Å; H324-I468 WeakPolarHBondContact CA-O 3.23Å; V325-I468 PolarHBondContact N-O 2.76Å; M466-I468 HydrophobicContact SD-CD1 4.14Å
469	V	76	Confident	78	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.2	-177.8	-166.6	0	0	0	0	113.6	V325 E327 L437 W439 R443	V325-V469 VanDerWaalsContact O-CA 3.23Å; V325-V469 WeakPolarHBondContact O-CA 3.39Å; V325-V469 WeakPolarHBondContact O-CG1 3.47Å; E327-V469 HydrophobicContact CB-CG1 3.91Å; L437-V469 HydrophobicContact CB-CG1 4.44Å; L437-V469 HydrophobicContact CB-CG2 4.34Å; L437-V469 HydrophobicContact CD1-CG2 3.56Å; L437-V469 HydrophobicContact CG-CG2 4.46Å; W439-V469 HydrophobicContact CB-CG1 4.24Å; R443-V469 HydrophobicContact CB-CB 3.79Å; R443-V469 HydrophobicContact CB-CG2 4.37Å; R443-V469 HydrophobicContact CG-CB 4.1Å; R443-V469 PolarHBondContact O-N 3.36Å
470	T	63.7	Low	78	Confident	32 Å²	32	49.3 Å²	49.3	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.3	-160.8	30.8	0	0	0	0	113.9	H324 W439 E472	H324-T470 HydrophobicContact CB-CG2 4.44Å; W439-T470 WeakPolarHBondContact CB-O 3.24Å; W439-T470 VanDerWaalsContact CD1-O 3.25Å; W439-T470 VanDerWaalsContact CG-O 3.23Å; T470-E472 WeakPolarHBondContact CB-OE1 3.36Å; T470-E472 PolarHBondContact OG1-OE1 2.85Å
471	D	61	Low	77.8	Confident	75 Å²	75	49.5 Å²	49.5	40%	0.401	25%	0.252	S	S	.	.			trans	-71.5	131	167	-166.8	-15.5	0	0	0	106.2	W439	W439-D471 HydrophobicContact CD2-CB 3.98Å; W439-D471 HydrophobicContact CE3-CB 4.48Å; W439-D471 HydrophobicContact CH2-CB 4.11Å; W439-D471 WeakPolarHBondContact CH2-OD1 3.43Å; W439-D471 VanDerWaalsContact CH2-OD2 3.3Å; W439-D471 WeakPolarHBondContact CH2-OD2 3.44Å; W439-D471 HydrophobicContact CZ2-CB 3.49Å; W439-D471 VanDerWaalsContact CZ2-CB 3.49Å; W439-D471 WeakPolarHBondContact CZ2-OD2 3.17Å; W439-D471 VanDerWaalsContact NE1-N 3.18Å
472	E	56.7	Low	77.4	Confident	30 Å²	30	54 Å²	54	14%	0.14	27%	0.268	C	S	.	.			trans	-127	134.8	-171.7	-58.3	-89.3	139	0	0	108.6	S326 E327 T470 D474	S326-E472 WeakPolarHBondContact CA-OE1 3.19Å; S326-E472 VanDerWaalsContact CB-CD 3.44Å; S326-E472 WeakPolarHBondContact CB-OE2 3.34Å; S326-E472 VanDerWaalsContact OG-CG 3.26Å; S326-E472 WeakPolarHBondContact OG-CG 3.29Å; S326-E472 PolarHBondContact OG-OE2 3.22Å; E327-E472 HydrophobicContact CB-CG 4.45Å; E327-E472 HydrophobicContact CG-CB 4.33Å; E327-E472 HydrophobicContact CG-CG 4.07Å; T470-E472 WeakPolarHBondContact CB-OE1 3.36Å; T470-E472 PolarHBondContact OG1-OE1 2.85Å; E472-D474 PolarHBondContact O-N 3.33Å
473	N	63.8	Low	77.2	Confident	29 Å²	29	51.8 Å²	51.8	16%	0.155	27%	0.267	C	S	.	.			trans	-68.7	81.4	166.5	-143.9	106.9	0	0	0	105.4	N475 D507 S511 D622 S624 H626	N473-N475 PolarHBondContact ND2-O 2.73Å; N473-N475 PolarHBondContact O-N 2.78Å; N473-D507 WeakPolarHBondContact CA-OD2 3.35Å; N473-D507 VanDerWaalsContact CG-OD2 3.24Å; N473-D507 PolarHBondContact ND2-OD2 3.23Å; N473-S511 WeakPolarHBondContact OD1-CB 3.48Å; N473-S511 PolarHBondContact OD1-OG 2.56Å; N473-D622 PolarHBondContact ND2-OD2 3.24Å; N473-D622 VanDerWaalsContact ND2-OD2 3.12Å; N473-D622 PolarHBondContact OD1-OD2 3.38Å; N473-S624 VanDerWaalsContact OD1-CB 3.27Å; N473-S624 WeakPolarHBondContact OD1-CB 3.35Å; N473-S624 PolarHBondContact OD1-OG 2.73Å; N473-H626 WeakPolarHBondContact CB-O 3.11Å; N473-H626 PolarHBondContact OD1-O 2.9Å
474	D	64.3	Low	77.1	Confident	104 Å²	104	53 Å²	53	56%	0.556	27%	0.274	S	S	*	.			trans	-69.2	-16.6	-167.6	78.4	-67.1	0	0	0	112.4	E472 D507	E472-D474 PolarHBondContact O-N 3.33Å; D474-D507 PolarHBondContact N-OD2 2.93Å
475	N	66.6	Low	77.1	Confident	63 Å²	63	55 Å²	55	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-128.9	109	173	-43.6	-96.8	0	0	0	111.6	N473 P506 D507	N473-N475 PolarHBondContact ND2-O 2.73Å; N473-N475 PolarHBondContact O-N 2.78Å; N475-P506 HydrophobicContact CB-CB 3.78Å; N475-P506 HydrophobicContact CB-CG 3.57Å; N475-D507 WeakPolarHBondContact CB-OD1 3.24Å; N475-D507 PolarHBondContact N-OD1 3.4Å; N475-D507 PolarHBondContact N-OD2 2.75Å; N475-D507 PolarHBondContact ND2-OD1 3.46Å; N475-D507 WeakPolarHBondContact O-CB 3.33Å
476	H	73	Confident	77.3	Confident	48 Å²	48	56.1 Å²	56.1	22%	0.222	29%	0.285	C	S	.	.			trans	-98.4	172.6	-176.5	58.8	-90.4	0	0	0	113.3	I478 Y629	H476-I478 PolarHBondContact O-N 2.84Å; H476-I478 VanDerWaalsContact O-N 3.17Å; H476-Y629 PolarHBondContact CD2-O 2.76Å
477	P	86.1	Confident	77.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.			trans	-77.3	100.7	-177.2	-1	13.4	0	0	0	111.6	A503 D504 D505 I514 A620 D622 G628 D630	P477-A503 HydrophobicContact CB-CB 4.45Å; P477-D504 CarbonylContact C-O 3.48Å; P477-D504 WeakPolarHBondContact CA-O 3.12Å; P477-D505 WeakPolarHBondContact CA-OD2 3.18Å; P477-D505 HydrophobicContact CB-CB 3.84Å; P477-D505 WeakPolarHBondContact CD-OD2 3.25Å; P477-D505 HydrophobicContact CG-CB 4.2Å; P477-D505 WeakPolarHBondContact CG-OD2 3.21Å; P477-I514 HydrophobicContact CB-CD1 3.76Å; P477-I514 HydrophobicContact CB-CG1 3.9Å; P477-A620 WeakPolarHBondContact CG-O 3.39Å; P477-D622 HydrophobicContact CG-CB 4.16Å; P477-G628 VanDerWaalsContact CD-O 3.3Å; P477-G628 WeakPolarHBondContact CD-O 3.47Å; P477-G628 WeakPolarHBondContact CG-O 3.46Å; P477-D630 WeakPolarHBondContact O-CB 3.35Å; P477-D630 PolarHBondContact O-N 3.12Å
478	I	85.8	Confident	77.9	Confident	85 Å²	85	58.8 Å²	58.8	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.8	-173.5	-61.8	167.9	0	0	0	111.3	H476 A503 D504	H476-I478 PolarHBondContact O-N 2.84Å; H476-I478 VanDerWaalsContact O-N 3.17Å; I478-A503 CarbonylContact O-C 3.58Å; I478-A503 WeakPolarHBondContact O-CA 3.39Å; I478-A503 WeakPolarHBondContact O-CB 3.4Å; I478-D504 PolarHBondContact N-O 2.86Å; I478-D504 PolarHBondContact O-N 2.91Å
479	F	89.7	Confident	78.5	Confident	6 Å²	6	59 Å²	59	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.2	171.1	-82.8	-75.1	0	0	0	112.2	N481 L501 I502 A503 Y516 V618 A620 D630 A632	F479-N481 PolarHBondContact O-N 2.71Å; F479-L501 HydrophobicContact CD1-CB 4.39Å; F479-L501 HydrophobicContact CE1-CB 3.84Å; F479-L501 HydrophobicContact CE1-CD2 4.08Å; F479-I502 WeakPolarHBondContact CA-O 3.22Å; F479-I502 WeakPolarHBondContact CD1-O 3.27Å; F479-A503 HydrophobicContact CD1-CB 3.91Å; F479-A503 HydrophobicContact CE1-CB 4.33Å; F479-A503 HydrophobicContact CG-CB 4.12Å; F479-Y516 HydrophobicContact CE1-CD1 4.04Å; F479-Y516 AromaticContact CE1-CE1 3.87Å; F479-Y516 HydrophobicContact CE1-CE1 3.87Å; F479-Y516 HydrophobicContact CZ-CD1 4.29Å; F479-Y516 HydrophobicContact CZ-CE1 4.48Å; F479-V618 VanDerWaalsContact CE2-O 3.25Å; F479-V618 WeakPolarHBondContact CE2-O 3.41Å; F479-V618 HydrophobicContact CZ-CB 4.29Å; F479-V618 HydrophobicContact CZ-CG1 3.99Å; F479-A620 HydrophobicContact CD1-CB 4.31Å; F479-A620 HydrophobicContact CD2-CB 4.09Å; F479-A620 HydrophobicContact CE1-CB 3.72Å; F479-A620 HydrophobicContact CE2-CB 3.48Å; F479-A620 VanDerWaalsContact CE2-CB 3.48Å; F479-A620 VanDerWaalsContact CE2-N 3.25Å; F479-A620 HydrophobicContact CG-CB 4.48Å; F479-A620 HydrophobicContact CZ-CB 3.28Å; F479-A620 VanDerWaalsContact CZ-N 3.29Å; F479-D630 WeakPolarHBondContact CB-OD2 2.94Å; F479-D630 HydrophobicContact CD2-CB 3.84Å; F479-D630 WeakPolarHBondContact CE2-O 3.31Å; F479-D630 PolarHBondContact N-OD2 3.01Å; F479-A632 HydrophobicContact CB-CB 4.21Å; F479-A632 HydrophobicContact CD1-CB 3.78Å; F479-A632 HydrophobicContact CD2-CB 3.52Å; F479-A632 VanDerWaalsContact CD2-N 3.34Å; F479-A632 HydrophobicContact CE1-CB 3.89Å; F479-A632 HydrophobicContact CE2-CB 3.61Å; F479-A632 HydrophobicContact CG-CB 3.6Å; F479-A632 HydrophobicContact CZ-CB 3.78Å
480	R	85.3	Confident	79.2	Confident	149 Å²	149	59 Å²	59	56%	0.562	31%	0.305	S	S	*	.	S	Bend	trans	-68.4	-32.9	177.4	-62.4	-175	-177.5	171.9	4.8	113.4	I502 D504	R480-I502 PolarHBondContact N-O 2.89Å; R480-D504 IonicContact CZ-OD1 2.79Å; R480-D504 IonicContact CZ-OD2 3.82Å; R480-D504 IonicContact NE-OD1 2.89Å; R480-D504 IonicContact NE-OD2 3.68Å; R480-D504 PolarHBondContact NE-OD2 2.89Å; R480-D504 IonicContact NH2-OD1 2.64Å; R480-D504 PolarHBondContact NH2-OD1 3.33Å; R480-D504 IonicContact NH2-OD2 3.99Å; R480-D504 PolarHBondContact NH2-OD2 3.34Å; R480-D504 VanDerWaalsContact NH2-OD2 3.12Å
481	N	83.6	Confident	80.3	Confident	100 Å²	100	62.6 Å²	62.6	54%	0.535	32%	0.323	S	S	.	.			trans	-128.5	101.6	172.7	-70.2	-21.3	0	0	0	108.4	F479 S483 L484	F479-N481 PolarHBondContact O-N 2.71Å; N481-S483 PolarHBondContact O-N 3.24Å; N481-L484 HydrophobicContact CB-CD2 4.09Å; N481-L484 HydrophobicContact CB-CG 4.23Å
482	K	79.5	Confident	81.7	Confident	106 Å²	106	59.5 Å²	59.5	46%	0.461	31%	0.307	S	S	.	.	S	Bend	trans	-67.4	-15.2	177.3	-66.2	-175.6	-176	-69.9	0	113.7	D630 A632 I633	K482-D630 IonicContact NZ-OD1 2.58Å; K482-D630 PolarHBondContact NZ-OD1 3.04Å; K482-D630 IonicContact NZ-OD2 2.66Å; K482-D630 PolarHBondContact NZ-OD2 2.74Å; K482-A632 WeakPolarHBondContact O-CA 3.32Å; K482-I633 PolarHBondContact O-N 3.13Å
483	S	83.3	Confident	83.2	Confident	89 Å²	89	62 Å²	62	62%	0.622	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.2	171.1	59.2	0	0	0	0	112.4	N481 I633	N481-S483 PolarHBondContact O-N 3.24Å; S483-I633 CarbonylContact C-O 3.44Å; S483-I633 WeakPolarHBondContact CA-O 3.4Å
484	L	84.6	Confident	84.2	Confident	30 Å²	30	66.3 Å²	66.3	16%	0.157	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.8	179	-73.5	169.6	0	0	0	109	N481 I499 L501 I633 V634 S635	N481-L484 HydrophobicContact CB-CD2 4.09Å; N481-L484 HydrophobicContact CB-CG 4.23Å; L484-I499 HydrophobicContact CB-CD1 4.45Å; L484-I499 HydrophobicContact CD1-CD1 3.9Å; L484-I499 HydrophobicContact CD1-CG1 4.29Å; L484-I499 HydrophobicContact CD2-CD1 4.02Å; L484-I499 HydrophobicContact CG-CD1 4.35Å; L484-L501 HydrophobicContact CD1-CD2 4.18Å; L484-L501 HydrophobicContact CD1-CG 4.13Å; L484-I633 PolarHBondContact N-O 3Å; L484-V634 HydrophobicContact CB-CG1 4.49Å; L484-V634 HydrophobicContact CB-CG2 4.36Å; L484-V634 HydrophobicContact CD1-CG2 4.38Å; L484-S635 PolarHBondContact O-N 3.31Å
485	I	86.4	Confident	85.2	Confident	91 Å²	91	63.5 Å²	63.5	47%	0.467	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.7	177	-61.6	176.7	0	0	0	109.9	Y400 S635 Y637	Y400-I485 HydrophobicContact CE2-CD1 4.34Å; I485-S635 WeakPolarHBondContact CA-O 3.45Å; I485-Y637 HydrophobicContact CG2-CD2 3.77Å; I485-Y637 HydrophobicContact CG2-CE2 3.72Å
486	I	89.3	Confident	86.3	Confident	26 Å²	26	63.6 Å²	63.6	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.5	169.2	124.8	-88.3	0	0	0	116.7	V488 L498 I499 V634 S635 I636 Y637	I486-V488 HydrophobicContact CD1-CG2 4.44Å; I486-V488 HydrophobicContact CG1-CG2 3.63Å; I486-L498 HydrophobicContact CD1-CB 4.08Å; I486-I499 HydrophobicContact CD1-CG2 4.36Å; I486-I499 HydrophobicContact CG2-CD1 3.85Å; I486-V634 HydrophobicContact CD1-CG1 3.82Å; I486-S635 WeakPolarHBondContact CA-O 2.98Å; I486-S635 PolarHBondContact N-O 3.45Å; I486-I636 HydrophobicContact CD1-CD1 4.02Å; I486-I636 HydrophobicContact CD1-CG1 3.78Å; I486-I636 WeakPolarHBondContact O-CA 3.47Å; I486-Y637 PolarHBondContact O-N 2.99Å
487	N	89	Confident	87.1	Confident	111 Å²	111	66.4 Å²	66.4	59%	0.594	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.4	159.2	-70.2	15.1	0	0	0	109.1	Y637 T639	N487-Y637 WeakPolarHBondContact CA-O 3.36Å; N487-T639 HydrophobicContact CB-CG2 4.19Å
488	V	89.2	Confident	87.2	Confident	6 Å²	6	67.8 Å²	67.8	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	123.1	-172.2	-174	0	0	0	0	110.5	I486 S492 L498 L606 I636 Y637 V638 T639	I486-V488 HydrophobicContact CD1-CG2 4.44Å; I486-V488 HydrophobicContact CG1-CG2 3.63Å; V488-S492 VanDerWaalsContact CG1-OG 3.24Å; V488-S492 WeakPolarHBondContact CG1-OG 3.44Å; V488-L498 HydrophobicContact CG1-CD2 4.24Å; V488-L498 HydrophobicContact CG2-CD2 4.03Å; V488-L606 HydrophobicContact CB-CD1 4.06Å; V488-L606 HydrophobicContact CG1-CD1 3.49Å; V488-L606 VanDerWaalsContact CG1-CD1 3.49Å; V488-I636 HydrophobicContact CB-CG2 4.03Å; V488-I636 HydrophobicContact CG2-CG2 3.7Å; V488-Y637 PolarHBondContact N-O 2.8Å; V488-V638 CarbonylContact O-C 3.55Å; V488-V638 WeakPolarHBondContact O-CA 3.3Å; V488-T639 PolarHBondContact O-N 3.08Å
489	P	90.9	Very high	87.4	Confident	51 Å²	51	65.6 Å²	65.6	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.2	172	-23.7	35.2	0	0	0	111.9	N491 S492 T639 I641	P489-N491 VanDerWaalsContact C-N 3.3Å; P489-N491 WeakPolarHBondContact CB-OD1 3.27Å; P489-N491 PolarHBondContact O-N 2.84Å; P489-S492 VanDerWaalsContact O-CB 3.23Å; P489-S492 WeakPolarHBondContact O-CB 3.25Å; P489-S492 PolarHBondContact O-N 2.93Å; P489-S492 VanDerWaalsContact O-N 3.11Å; P489-S492 PolarHBondContact O-OG 2.9Å; P489-T639 VanDerWaalsContact CA-OG1 3.28Å; P489-T639 WeakPolarHBondContact CA-OG1 3.42Å; P489-I641 HydrophobicContact CB-CD1 4.3Å; P489-I641 HydrophobicContact CB-CG1 4.16Å
490	E	90.5	Very high	87.5	Confident	9 Å²	9	69.4 Å²	69.4	4%	0.042	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.9	-176.5	68.9	-158.5	106.9	0	0	113.6	S492 L606 Y608 V638 T639 D640 I641	E490-S492 PolarHBondContact O-N 2.88Å; E490-L606 HydrophobicContact CB-CB 4.02Å; E490-Y608 WeakPolarHBondContact OE1-CB 3.24Å; E490-Y608 WeakPolarHBondContact OE2-CB 3.26Å; E490-Y608 PolarHBondContact OE2-N 3.28Å; E490-V638 HydrophobicContact CB-CG1 3.64Å; E490-T639 PolarHBondContact N-O 2.72Å; E490-D640 VanDerWaalsContact OE1-CA 3.27Å; E490-D640 WeakPolarHBondContact OE1-CA 3Å; E490-I641 HydrophobicContact CG-CB 4.2Å; E490-I641 HydrophobicContact CG-CG1 4.38Å; E490-I641 PolarHBondContact OE1-N 3.3Å
491	N	88.8	Confident	87.7	Confident	107 Å²	107	62.6 Å²	62.6	57%	0.572	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	16.9	172.3	71.8	-1.9	0	0	0	114.6	P489	P489-N491 VanDerWaalsContact C-N 3.3Å; P489-N491 WeakPolarHBondContact CB-OD1 3.27Å; P489-N491 PolarHBondContact O-N 2.84Å
492	S	89.7	Confident	88	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.063	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-63.8	137.9	173.6	-70	0	0	0	0	111.3	V488 P489 E490	V488-S492 VanDerWaalsContact CG1-OG 3.24Å; V488-S492 WeakPolarHBondContact CG1-OG 3.44Å; P489-S492 VanDerWaalsContact O-CB 3.23Å; P489-S492 WeakPolarHBondContact O-CB 3.25Å; P489-S492 PolarHBondContact O-N 2.93Å; P489-S492 VanDerWaalsContact O-N 3.11Å; P489-S492 PolarHBondContact O-OG 2.9Å; E490-S492 PolarHBondContact O-N 2.88Å
493	P	88.5	Confident	88.4	Confident	82 Å²	82	56.4 Å²	56.4	53%	0.532	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-75.7	148.3	-177	30.7	-35.5	0	0	0	112.6	L496	P493-L496 WeakPolarHBondContact O-CB 3.39Å; P493-L496 PolarHBondContact O-N 2.92Å
494	E	84.7	Confident	88.5	Confident	120 Å²	120	55.9 Å²	55.9	56%	0.561	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	141.1	166.2	-63	179.8	177.3	0	0	111.3	H605	E494-H605 IonicContact OE1-NE2 3.02Å
495	G	85.5	Confident	88.5	Confident	45 Å²	45	56 Å²	56	46%	0.464	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	3.3	-177.2	0	0	0	0	0	115.1	H497 L602	G495-H497 PolarHBondContact O-N 3.42Å; G495-L602 WeakPolarHBondContact CA-O 3.36Å; G495-L602 PolarHBondContact N-O 2.85Å
496	L	88.7	Confident	88.1	Confident	66 Å²	66	55.9 Å²	55.9	35%	0.346	31%	0.311	S	S	.	.			trans	-65.6	120.7	176.6	-177.9	63.5	0	0	0	111.4	P493 L498 I601 L602	P493-L496 WeakPolarHBondContact O-CB 3.39Å; P493-L496 PolarHBondContact O-N 2.92Å; L496-L498 HydrophobicContact CD2-CD2 3.87Å; L496-L498 HydrophobicContact CG-CD2 4.02Å; L496-L498 PolarHBondContact O-N 2.91Å; L496-I601 WeakPolarHBondContact O-CA 3.48Å; L496-L602 HydrophobicContact CB-CB 4.26Å; L496-L602 PolarHBondContact O-N 3.05Å
497	H	89.5	Confident	87.3	Confident	106 Å²	106	55.7 Å²	55.7	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.1	170.2	-73.1	-149.8	0	0	0	109.6	G495 W599	G495-H497 PolarHBondContact O-N 3.42Å; H497-W599 HydrophobicContact CB-CE3 3.98Å; H497-W599 HydrophobicContact CB-CZ3 4.18Å; H497-W599 AromaticContact ND1-CD2 3.94Å
498	L	89.1	Confident	85.9	Confident	30 Å²	30	59.1 Å²	59.1	16%	0.157	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-54.6	-171.7	-61.5	176.8	0	0	0	112.7	I486 V488 L496 F591 L600 L602 I636	I486-L498 HydrophobicContact CD1-CB 4.08Å; V488-L498 HydrophobicContact CG1-CD2 4.24Å; V488-L498 HydrophobicContact CG2-CD2 4.03Å; L496-L498 HydrophobicContact CD2-CD2 3.87Å; L496-L498 HydrophobicContact CG-CD2 4.02Å; L496-L498 PolarHBondContact O-N 2.91Å; L498-F591 HydrophobicContact CD1-CD1 3.88Å; L498-F591 HydrophobicContact CD1-CE1 3.95Å; L498-L600 HydrophobicContact CB-CD2 4.17Å; L498-L600 HydrophobicContact CB-CG 4.44Å; L498-L600 HydrophobicContact CD1-CD2 4.05Å; L498-L600 HydrophobicContact CD1-CG 4.29Å; L498-L600 PolarHBondContact N-O 2.86Å; L498-L602 HydrophobicContact CD1-CB 4.39Å; L498-I636 HydrophobicContact CD1-CD1 3.83Å
499	I	89.5	Confident	85	Confident	38 Å²	38	61.2 Å²	61.2	20%	0.195	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	161.7	-178.5	-164.1	153.7	0	0	0	111	L484 I486 L501 L600 V634	L484-I499 HydrophobicContact CB-CD1 4.45Å; L484-I499 HydrophobicContact CD1-CD1 3.9Å; L484-I499 HydrophobicContact CD1-CG1 4.29Å; L484-I499 HydrophobicContact CD2-CD1 4.02Å; L484-I499 HydrophobicContact CG-CD1 4.35Å; I486-I499 HydrophobicContact CD1-CG2 4.36Å; I486-I499 HydrophobicContact CG2-CD1 3.85Å; I499-L501 HydrophobicContact CG2-CD1 4.34Å; I499-L600 HydrophobicContact CG2-CB 4.19Å; I499-L600 HydrophobicContact CG2-CD2 4.05Å; I499-L600 PolarHBondContact O-N 3Å; I499-V634 HydrophobicContact CG2-CG1 4.3Å
500	Q	91.4	Very high	84.2	Confident	86 Å²	86	64 Å²	64	40%	0.402	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.3	176.8	-164.2	-175.7	5	0	0	111.3	T597 G598 W599	Q500-T597 VanDerWaalsContact CG-O 3.31Å; Q500-T597 WeakPolarHBondContact CG-O 3.16Å; Q500-T597 PolarHBondContact NE2-O 3.45Å; Q500-G598 CarbonylContact C-O 3.54Å; Q500-G598 WeakPolarHBondContact CA-O 3.45Å; Q500-W599 HydrophobicContact CB-CD2 3.89Å; Q500-W599 HydrophobicContact CB-CE3 4.01Å; Q500-W599 HydrophobicContact CB-CG 4.45Å; Q500-W599 HydrophobicContact CB-CH2 4.21Å; Q500-W599 HydrophobicContact CB-CZ2 4.08Å; Q500-W599 HydrophobicContact CB-CZ3 4.18Å; Q500-W599 HydrophobicContact CG-CD2 4.11Å; Q500-W599 HydrophobicContact CG-CG 4.22Å
501	L	90.1	Very high	83.1	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.031	36%	0.357	C	S	.	.			trans	-111.6	154.1	177.8	-60.3	96.5	0	0	0	112.5	F479 L484 I499 I593 G598 L600 V618 A632 V634	F479-L501 HydrophobicContact CD1-CB 4.39Å; F479-L501 HydrophobicContact CE1-CB 3.84Å; F479-L501 HydrophobicContact CE1-CD2 4.08Å; L484-L501 HydrophobicContact CD1-CD2 4.18Å; L484-L501 HydrophobicContact CD1-CG 4.13Å; I499-L501 HydrophobicContact CG2-CD1 4.34Å; L501-I593 HydrophobicContact CD1-CD1 4.15Å; L501-G598 WeakPolarHBondContact CD1-O 3.43Å; L501-G598 PolarHBondContact N-O 2.89Å; L501-L600 HydrophobicContact CD1-CB 4.45Å; L501-V618 HydrophobicContact CD1-CG2 4.21Å; L501-V618 HydrophobicContact CD2-CB 3.94Å; L501-V618 HydrophobicContact CD2-CG1 4.17Å; L501-V618 HydrophobicContact CD2-CG2 3.9Å; L501-A632 HydrophobicContact CD2-CB 3.55Å; L501-V634 HydrophobicContact CD1-CG2 4.28Å; L501-V634 HydrophobicContact CD2-CG2 3.9Å
502	I	89.4	Confident	82.4	Confident	69 Å²	69	61 Å²	61	35%	0.354	35%	0.346	S	S	.	.			trans	-147.7	134.3	-173.8	-50.1	177.3	0	0	0	111.2	F479 R480 Y516	F479-I502 WeakPolarHBondContact CA-O 3.22Å; F479-I502 WeakPolarHBondContact CD1-O 3.27Å; R480-I502 PolarHBondContact N-O 2.89Å; I502-Y516 WeakPolarHBondContact CA-OH 3.29Å
503	A	88.3	Confident	82.1	Confident	7 Å²	7	65.7 Å²	65.7	6%	0.058	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	169	175.6	0	0	0	0	0	113.9	P477 I478 F479 I514 Y516 A620	P477-A503 HydrophobicContact CB-CB 4.45Å; I478-A503 CarbonylContact O-C 3.58Å; I478-A503 WeakPolarHBondContact O-CA 3.39Å; I478-A503 WeakPolarHBondContact O-CB 3.4Å; F479-A503 HydrophobicContact CD1-CB 3.91Å; F479-A503 HydrophobicContact CE1-CB 4.33Å; F479-A503 HydrophobicContact CG-CB 4.12Å; A503-I514 HydrophobicContact CB-CD1 4.05Å; A503-I514 VanDerWaalsContact O-CD1 3.23Å; A503-I514 WeakPolarHBondContact O-CD1 3.44Å; A503-Y516 HydrophobicContact CB-CE1 4.37Å; A503-Y516 PolarHBondContact N-OH 3.08Å; A503-Y516 VanDerWaalsContact N-OH 3.12Å; A503-A620 HydrophobicContact CB-CB 3.46Å; A503-A620 VanDerWaalsContact CB-CB 3.46Å
504	D	85.3	Confident	82.1	Confident	78 Å²	78	64 Å²	64	42%	0.417	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130.8	-173.7	-56.9	-84.6	0	0	0	112.4	P477 I478 R480	P477-D504 CarbonylContact C-O 3.48Å; P477-D504 WeakPolarHBondContact CA-O 3.12Å; I478-D504 PolarHBondContact N-O 2.86Å; I478-D504 PolarHBondContact O-N 2.91Å; R480-D504 IonicContact CZ-OD1 2.79Å; R480-D504 IonicContact CZ-OD2 3.82Å; R480-D504 IonicContact NE-OD1 2.89Å; R480-D504 IonicContact NE-OD2 3.68Å; R480-D504 PolarHBondContact NE-OD2 2.89Å; R480-D504 IonicContact NH2-OD1 2.64Å; R480-D504 PolarHBondContact NH2-OD1 3.33Å; R480-D504 IonicContact NH2-OD2 3.99Å; R480-D504 PolarHBondContact NH2-OD2 3.34Å; R480-D504 VanDerWaalsContact NH2-OD2 3.12Å
505	D	84.3	Confident	82.3	Confident	34 Å²	34	61.6 Å²	61.6	18%	0.182	34%	0.343	C	S	.	.			trans	-127.4	141.5	-171.3	-165.8	-62.5	0	0	0	115.2	P477 D507 S511 I514	P477-D505 WeakPolarHBondContact CA-OD2 3.18Å; P477-D505 HydrophobicContact CB-CB 3.84Å; P477-D505 WeakPolarHBondContact CD-OD2 3.25Å; P477-D505 HydrophobicContact CG-CB 4.2Å; P477-D505 WeakPolarHBondContact CG-OD2 3.21Å; D505-D507 PolarHBondContact OD1-N 3.1Å; D505-S511 VanDerWaalsContact OD2-O 3.14Å; D505-I514 HydrophobicContact CB-CD1 4.32Å; D505-I514 HydrophobicContact CB-CG1 4.33Å
506	P	77.9	Confident	82.7	Confident	88 Å²	88	60.5 Å²	60.5	57%	0.571	33%	0.325	S	S	*	.			trans	-99.1	-15.9	173	-9.8	32.2	0	0	0	121.7	N475	N475-P506 HydrophobicContact CB-CB 3.78Å; N475-P506 HydrophobicContact CB-CG 3.57Å
507	D	72.8	Confident	82.7	Confident	22 Å²	22	59.5 Å²	59.5	12%	0.118	32%	0.324	C	S	.	.	S	Bend	trans	-79.2	169.4	-163.3	-82.2	-10.5	0	0	0	115.6	N473 D474 N475 D505 G509 G512	N473-D507 WeakPolarHBondContact CA-OD2 3.35Å; N473-D507 VanDerWaalsContact CG-OD2 3.24Å; N473-D507 PolarHBondContact ND2-OD2 3.23Å; D474-D507 PolarHBondContact N-OD2 2.93Å; N475-D507 WeakPolarHBondContact CB-OD1 3.24Å; N475-D507 PolarHBondContact N-OD1 3.4Å; N475-D507 PolarHBondContact N-OD2 2.75Å; N475-D507 PolarHBondContact ND2-OD1 3.46Å; N475-D507 WeakPolarHBondContact O-CB 3.33Å; D505-D507 PolarHBondContact OD1-N 3.1Å; D507-G509 PolarHBondContact O-N 3.29Å; D507-G509 VanDerWaalsContact O-N 3.12Å; D507-G512 PolarHBondContact O-N 3.18Å
508	E	60.8	Low	82.6	Confident	182 Å²	182	55.8 Å²	55.8	85%	0.85	31%	0.308	S	S	*	.	S	Bend	trans	-69.2	110.9	-168.1	-168.9	170.1	-177	0	0	116	K510 S511	E508-K510 PolarHBondContact O-N 2.92Å; E508-S511 PolarHBondContact O-N 2.98Å; E508-S511 VanDerWaalsContact O-N 3.16Å; E508-S511 PolarHBondContact O-OG 3Å
509	G	70.2	Confident	82	Confident	51 Å²	51	57.2 Å²	57.2	53%	0.526	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-83.7	148.5	0	0	0	0	0	114.3	D507 S511	D507-G509 PolarHBondContact O-N 3.29Å; D507-G509 VanDerWaalsContact O-N 3.12Å; G509-S511 VanDerWaalsContact C-N 3.31Å
510	K	73.3	Confident	80.5	Confident	109 Å²	109	60.9 Å²	60.9	47%	0.474	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-36.7	164.8	-89.3	-174.2	149.9	-151.5	0	109.9	E508 G512 Q513 Q623 S624 D625	E508-K510 PolarHBondContact O-N 2.92Å; K510-G512 PolarHBondContact O-N 2.95Å; K510-G512 VanDerWaalsContact O-N 3.1Å; K510-Q513 PolarHBondContact O-N 3.17Å; K510-Q623 WeakPolarHBondContact CB-O 3.47Å; K510-Q623 WeakPolarHBondContact CD-O 3.43Å; K510-Q623 CarbonylContact O-C 3.59Å; K510-Q623 VanDerWaalsContact O-C 3.3Å; K510-Q623 WeakPolarHBondContact O-CA 3.34Å; K510-Q623 PolarHBondContact O-N 2.82Å; K510-S624 PolarHBondContact O-N 3.09Å; K510-D625 IonicContact NZ-OD1 3.41Å; K510-D625 PolarHBondContact NZ-OD1 2.9Å; K510-D625 IonicContact NZ-OD2 2.64Å
511	S	68.2	Low	78.1	Confident	18 Å²	18	61.1 Å²	61.1	13%	0.126	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-4.9	-176.9	-40.1	0	0	0	0	114.6	N473 D505 E508 G509 D622 S624	N473-S511 WeakPolarHBondContact OD1-CB 3.48Å; N473-S511 PolarHBondContact OD1-OG 2.56Å; D505-S511 VanDerWaalsContact OD2-O 3.14Å; E508-S511 PolarHBondContact O-N 2.98Å; E508-S511 VanDerWaalsContact O-N 3.16Å; E508-S511 PolarHBondContact O-OG 3Å; G509-S511 VanDerWaalsContact C-N 3.31Å; S511-D622 VanDerWaalsContact C-CB 3.46Å; S511-D622 WeakPolarHBondContact CA-OD2 3.22Å; S511-D622 WeakPolarHBondContact O-CB 3.34Å; S511-S624 VanDerWaalsContact CA-CB 3.44Å; S511-S624 VanDerWaalsContact OG-CB 3.26Å; S511-S624 WeakPolarHBondContact OG-CB 3.33Å
512	G	74	Confident	75.3	Confident	34 Å²	34	66.9 Å²	66.9	35%	0.351	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.4	179.5	0	0	0	0	0	116.7	D507 K510	D507-G512 PolarHBondContact O-N 3.18Å; K510-G512 PolarHBondContact O-N 2.95Å; K510-G512 VanDerWaalsContact O-N 3.1Å
513	Q	83	Confident	72.4	Confident	108 Å²	108	70.5 Å²	70.5	51%	0.505	39%	0.387	S	S	.	.			trans	-113.4	97.6	-170.9	-65.9	-169.2	42	0	0	115.2	K510 D622 Q623	K510-Q513 PolarHBondContact O-N 3.17Å; Q513-D622 CarbonylContact O-C 3.57Å; Q513-D622 WeakPolarHBondContact O-CA 3.43Å; Q513-Q623 HydrophobicContact CB-CB 4.27Å; Q513-Q623 HydrophobicContact CB-CG 4.31Å; Q513-Q623 WeakPolarHBondContact O-CG 3.26Å; Q513-Q623 PolarHBondContact O-N 2.76Å; Q513-Q623 PolarHBondContact O-NE2 2.66Å
514	I	87.7	Confident	69.4	Low	47 Å²	47	76.4 Å²	76.4	24%	0.241	42%	0.417	C	S	.	.			trans	-70.1	133.9	-169.6	-50.1	-178.8	0	0	0	114.1	P477 A503 D505 Y516 A620 R621	P477-I514 HydrophobicContact CB-CD1 3.76Å; P477-I514 HydrophobicContact CB-CG1 3.9Å; A503-I514 HydrophobicContact CB-CD1 4.05Å; A503-I514 VanDerWaalsContact O-CD1 3.23Å; A503-I514 WeakPolarHBondContact O-CD1 3.44Å; D505-I514 HydrophobicContact CB-CD1 4.32Å; D505-I514 HydrophobicContact CB-CG1 4.33Å; I514-Y516 HydrophobicContact CG2-CE1 4.22Å; I514-Y516 HydrophobicContact CG2-CE2 4.42Å; I514-A620 HydrophobicContact CG2-CB 3.9Å; I514-R621 CarbonylContact C-O 3.57Å; I514-R621 VanDerWaalsContact CA-O 3.25Å; I514-R621 WeakPolarHBondContact CA-O 3.48Å
515	I	89.8	Confident	66.6	Low	69 Å²	69	79.4 Å²	79.4	35%	0.354	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.1	167	-63	179	0	0	0	107.8	P595 R621 Q623	I515-P595 HydrophobicContact CG2-CB 4.14Å; I515-R621 PolarHBondContact N-O 3.47Å; I515-R621 PolarHBondContact O-N 3.34Å; I515-Q623 HydrophobicContact CD1-CG 3.58Å; I515-Q623 HydrophobicContact CG1-CG 4.09Å
516	Y	92.5	Very high	63.8	Low	22 Å²	22	85.7 Å²	85.7	9%	0.086	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.3	171.4	-56.9	-79.3	0	0	0	110.7	F479 I502 A503 I514 P595 I619 A620	F479-Y516 HydrophobicContact CE1-CD1 4.04Å; F479-Y516 AromaticContact CE1-CE1 3.87Å; F479-Y516 HydrophobicContact CE1-CE1 3.87Å; F479-Y516 HydrophobicContact CZ-CD1 4.29Å; F479-Y516 HydrophobicContact CZ-CE1 4.48Å; I502-Y516 WeakPolarHBondContact CA-OH 3.29Å; A503-Y516 HydrophobicContact CB-CE1 4.37Å; A503-Y516 PolarHBondContact N-OH 3.08Å; A503-Y516 VanDerWaalsContact N-OH 3.12Å; I514-Y516 HydrophobicContact CG2-CE1 4.22Å; I514-Y516 HydrophobicContact CG2-CE2 4.42Å; Y516-P595 PolarHBondContact N-O 2.66Å; Y516-P595 VanDerWaalsContact O-CA 3.24Å; Y516-P595 WeakPolarHBondContact O-CA 3.2Å; Y516-P595 VanDerWaalsContact O-CB 3.28Å; Y516-P595 WeakPolarHBondContact O-CB 3.18Å; Y516-I619 CarbonylContact C-O 3.56Å; Y516-I619 WeakPolarHBondContact CA-O 3.4Å; Y516-A620 HydrophobicContact CD1-CB 3.99Å; Y516-A620 HydrophobicContact CE1-CB 3.91Å
517	S	89.3	Confident	61.3	Low	46 Å²	46	86.9 Å²	86.9	32%	0.322	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.3	174.5	59.3	0	0	0	0	111.9	V618 I619	S517-V618 WeakPolarHBondContact O-CA 3.31Å; S517-I619 PolarHBondContact N-O 3.42Å; S517-I619 PolarHBondContact O-N 3.47Å
518	L	88	Confident	59.2	Low	27 Å²	27	91.9 Å²	91.9	14%	0.141	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	142.8	165	-60.3	-168.5	0	0	0	109.5	N520 F591 I593 L600 I616 V618	L518-N520 PolarHBondContact O-N 3.34Å; L518-F591 HydrophobicContact CD1-CB 3.96Å; L518-F591 WeakPolarHBondContact CD1-O 3.17Å; L518-I593 HydrophobicContact CD2-CB 3.83Å; L518-I593 HydrophobicContact CD2-CD1 4.3Å; L518-I593 HydrophobicContact CD2-CG2 3.91Å; L518-I593 HydrophobicContact CG-CB 3.95Å; L518-I593 HydrophobicContact CG-CG2 3.76Å; L518-L600 HydrophobicContact CD1-CD1 4.4Å; L518-L600 HydrophobicContact CD2-CD1 3.84Å; L518-I616 HydrophobicContact CD2-CG2 3.69Å; L518-V618 HydrophobicContact CD2-CG2 3.94Å
519	V	76.9	Confident	57.8	Low	60 Å²	60	89.7 Å²	89.7	36%	0.364	50%	0.499	S	S	.	.			trans	-74.7	81.1	170.5	-174.5	0	0	0	0	109.3	N521 R617 I619	V519-N521 PolarHBondContact O-N 2.9Å; V519-R617 HydrophobicContact CB-CB 3.94Å; V519-R617 HydrophobicContact CG2-CB 3.64Å; V519-R617 PolarHBondContact N-O 3.3Å; V519-I619 HydrophobicContact CG2-CD1 3.61Å; V519-I619 HydrophobicContact CG2-CG1 3.7Å
520	N	57.5	Low	55.9	Low	116 Å²	116	92.3 Å²	92.3	62%	0.62	51%	0.509	S	S	*	.			trans	-71	114.6	174.5	-74.4	-3	0	0	0	110	L518 E522	L518-N520 PolarHBondContact O-N 3.34Å; N520-E522 PolarHBondContact O-N 2.97Å
521	N	40.8	Very low	53.8	Low	91 Å²	91	92.3 Å²	92.3	49%	0.487	52%	0.523	S	S	.	.			trans	-70.1	8.9	178.3	-83.2	-16.2	0	0	0	115	V519 I523 T567	V519-N521 PolarHBondContact O-N 2.9Å; N521-I523 PolarHBondContact O-N 3.06Å; N521-T567 WeakPolarHBondContact CB-OG1 3.39Å; N521-T567 PolarHBondContact ND2-OG1 3.13Å
522	E	32	Very low	51.9	Low	127 Å²	127	96.4 Å²	96.4	59%	0.593	55%	0.552	S	S	*	*	S	Bend	trans	-77.2	111.4	167	-74.1	-156.2	159.3	0	0	109.9	N520 N524	N520-E522 PolarHBondContact O-N 2.97Å; E522-N524 VanDerWaalsContact C-N 3.35Å; E522-N524 PolarHBondContact O-N 2.95Å
523	I	28.4	Very low	49.6	Very low	144 Å²	144	99.9 Å²	99.9	74%	0.738	57%	0.571	S	S	*	*			trans	-66.9	91.6	179.4	-56.6	173.2	0	0	0	109.8	N521	N521-I523 PolarHBondContact O-N 3.06Å
524	N	23.8	Very low	47	Very low	131 Å²	131	99.4 Å²	99.4	70%	0.701	58%	0.579	S	S	*	*			trans	-111.2	29.3	167.1	-127	-19.7	0	0	0	111.8	E522 Q526	E522-N524 VanDerWaalsContact C-N 3.35Å; E522-N524 PolarHBondContact O-N 2.95Å; N524-Q526 PolarHBondContact O-N 3.06Å
525	I	27.8	Very low	44.1	Very low	142 Å²	142	101.8 Å²	101.8	73%	0.728	60%	0.6	S	S	*	*			trans	-73.1	81.9	163	-55	-179.4	0	0	0	107.6	T527	I525-T527 PolarHBondContact O-N 2.89Å
526	Q	25.5	Very low	41.1	Very low	165 Å²	165	103.3 Å²	103.3	77%	0.771	62%	0.617	S	S	*	*			trans	-62.7	128.7	155.6	-68.1	-171.1	4.1	0	0	107.6	N524	N524-Q526 PolarHBondContact O-N 3.06Å
527	T	25.7	Very low	37.9	Very low	114 Å²	114	106.9 Å²	106.9	70%	0.699	65%	0.645	S	S	*	*			trans	-64.9	134	-178.4	40.4	0	0	0	0	110.7	I525 T529	I525-T527 PolarHBondContact O-N 2.89Å; T527-T529 PolarHBondContact O-N 2.81Å
528	P	27.6	Very low	34.9	Very low	126 Å²	126	109.7 Å²	109.7	82%	0.818	67%	0.665	S	S	*	*			trans	-68.4	106.3	173.3	27.7	-32.8	0	0	0	109.2	S530	P528-S530 PolarHBondContact O-N 3.4Å
529	T	32.2	Very low	32	Very low	137 Å²	137	113.3 Å²	113.3	84%	0.84	69%	0.692	S	S	*	*			trans	-76.4	116.4	172.3	40.1	0	0	0	0	109.8	T527	T527-T529 PolarHBondContact O-N 2.81Å
530	S	30	Very low	29.6	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	71%	0.707	S	S	*	*			trans	-78.8	144.3	-175.2	56.3	0	0	0	0	113.3	P528	P528-S530 PolarHBondContact O-N 3.4Å
531	S	28.7	Very low	28.1	Very low	110 Å²	110	114.9 Å²	114.9	77%	0.769	72%	0.715	S	S	*	*			trans	83.3	138.4	152.2	79.9	0	0	0	0	121.1
532	S	28.6	Very low	27.5	Very low	103 Å²	103	114.8 Å²	114.8	72%	0.72	72%	0.721	S	S	*	*			trans	85.6	114	148.2	77.9	0	0	0	0	120.5
533	S	26.5	Very low	27.2	Very low	107 Å²	107	115.9 Å²	115.9	75%	0.748	73%	0.731	S	S	*	*				25.8	144	128.3	55.4	0	0	0	0	121.5
534	S	26.9	Very low	27.1	Very low	99 Å²	99	113.2 Å²	113.2	69%	0.692	73%	0.725	S	S	*	*			cis	-175.4	168.3	-3.8	50.5	0	0	0	0	112.3
535	S	27.1	Very low	27.2	Very low	97 Å²	97	111.8 Å²	111.8	68%	0.678	73%	0.725	S	S	*	*			trans	64.4	123.7	143.1	59.2	0	0	0	0	122.3
536	S	26.9	Very low	27.1	Very low	101 Å²	101	109.3 Å²	109.3	71%	0.706	72%	0.72	S	S	*	*			trans	76.8	115.1	130.8	65.7	0	0	0	0	122.8
537	S	26.3	Very low	27.2	Very low	97 Å²	97	108.8 Å²	108.8	68%	0.678	72%	0.722	S	S	*	*				66	116.6	127.9	66.9	0	0	0	0	122.4
538	S	26.5	Very low	27.2	Very low	104 Å²	104	106.9 Å²	106.9	73%	0.727	71%	0.713	S	S	*	*			trans	65.6	139.1	134.3	60.1	0	0	0	0	122.3
539	S	26.5	Very low	27.2	Very low	103 Å²	103	106.1 Å²	106.1	72%	0.72	70%	0.702	S	S	*	*			trans	70.8	122.3	153.3	53.4	0	0	0	0	121
540	S	26.3	Very low	27	Very low	98 Å²	98	104.2 Å²	104.2	69%	0.685	69%	0.687	S	S	*	*			trans	62.9	131.7	140.7	58.8	0	0	0	0	121.7
541	S	26.9	Very low	27	Very low	111 Å²	111	104.4 Å²	104.4	78%	0.776	68%	0.68	S	S	*	*			trans	67.1	153.3	151.1	68.2	0	0	0	0	117.4
542	S	26.5	Very low	27.1	Very low	89 Å²	89	104.8 Å²	104.8	62%	0.622	67%	0.669	S	S	*	*			cis	-174.5	164.9	-20.8	52	0	0	0	0	108.5
543	L	26	Very low	27.1	Very low	151 Å²	151	105.6 Å²	105.6	79%	0.791	68%	0.675	S	S	*	*			trans	65.2	103.3	166.3	-58.2	156	0	0	0	113.8
544	S	26.6	Very low	27.1	Very low	87 Å²	87	108.2 Å²	108.2	61%	0.608	68%	0.68	S	S	*	*				71.8	153.4	64.7	80.6	0	0	0	0	114.8
545	S	26.6	Very low	27.1	Very low	102 Å²	102	112.6 Å²	112.6	71%	0.713	69%	0.69	S	S	*	*			trans	65.6	140.4	149.5	52.3	0	0	0	0	118.5
546	S	26.1	Very low	27	Very low	89 Å²	89	119.2 Å²	119.2	62%	0.622	70%	0.7	S	S	*	*			cis	175.8	-176.8	-5.6	49	0	0	0	0	108.9
547	L	26.5	Very low	27.1	Very low	155 Å²	155	120.3 Å²	120.3	81%	0.812	71%	0.705	S	S	*	*			trans	73.7	148.5	156.1	-61.8	156.5	0	0	0	116.4
548	S	26.4	Very low	27.1	Very low	73 Å²	73	122.7 Å²	122.7	51%	0.51	71%	0.709	S	S	.	*			cis	169.4	164	-36.4	51.3	0	0	0	0	109
549	N	26.8	Very low	27.1	Very low	111 Å²	111	126.3 Å²	126.3	59%	0.594	71%	0.714	S	S	*	*			trans	80	132	151.2	-60.1	-22.7	0	0	0	118.7
550	N	28.1	Very low	27.2	Very low	97 Å²	97	126.4 Å²	126.4	52%	0.519	71%	0.71	S	S	.	*			trans	73.5	148.3	152	-63.7	21.1	0	0	0	117.3
551	D	29.6	Very low	27.2	Very low	108 Å²	108	127.2 Å²	127.2	58%	0.578	71%	0.711	S	S	*	*			cis	-144.3	176.4	5.7	-131.2	-48.7	0	0	0	113.4	V1597	D551-V1597 WeakPolarHBondContact OD1-CG2 3.4Å
552	H	30.7	Very low	27.3	Very low	118 Å²	118	128.1 Å²	128.1	55%	0.546	71%	0.706	S	S	.	*			trans	-71.7	146.5	-178.6	-68.6	-67.9	0	0	0	115	I1596 V1597	H552-I1596 PolarHBondContact CE1-O 3.18Å; H552-I1596 PolarHBondContact ND1-O 3.03Å; H552-I1596 PolarHBondContact NE2-O 2.61Å; H552-V1597 PolarHBondContact NE2-N 2.75Å; H552-V1597 VanDerWaalsContact NE2-N 3.19Å
553	S	29.2	Very low	27.3	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	70%	0.702	S	S	*	*				-179.7	163.1	120.3	45.9	0	0	0	0	113.9
554	N	26.2	Very low	27.4	Very low	162 Å²	162	130.1 Å²	130.1	87%	0.866	70%	0.701	S	S	*	*			trans	-76.7	138.6	-169.3	-49	-57	0	0	0	114.1
555	Q	27.6	Very low	27.4	Very low	192 Å²	192	130.1 Å²	130.1	90%	0.897	70%	0.701	S	S	*	*			trans	-157	155.5	153.3	-110.4	160.1	24	0	0	111.4
556	R	26	Very low	27.4	Very low	236 Å²	236	129.7 Å²	129.7	89%	0.891	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-73.3	130.9	179.5	-76.9	-179.8	168.5	-166.2	-3.3	111.1
557	P	28.7	Very low	27.5	Very low	124 Å²	124	129.4 Å²	129.4	81%	0.805	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-79.9	136.8	155.8	-7.2	25.8	0	0	0	110.1
558	L	25.9	Very low	27.5	Very low	147 Å²	147	127.2 Å²	127.2	77%	0.77	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-73.1	145.6	169.1	-78.5	63.9	0	0	0	109.4	T560	L558-T560 PolarHBondContact O-N 3.04Å
559	H	26.3	Very low	27.6	Very low	180 Å²	180	127.6 Å²	127.6	83%	0.833	70%	0.697	S	S	*	*			trans	-93.8	75.9	170.2	-153.5	-85.4	0	0	0	109.7	T561	H559-T561 PolarHBondContact O-N 3.29Å; H559-T561 PolarHBondContact O-OG1 3.39Å
560	T	28	Very low	27.8	Very low	104 Å²	104	126.6 Å²	126.6	64%	0.638	69%	0.691	S	S	*	*			trans	-73.8	98.5	-177.8	-49.6	0	0	0	0	110.4	L558 I562	L558-T560 PolarHBondContact O-N 3.04Å; T560-I562 HydrophobicContact CG2-CG1 4.17Å; T560-I562 PolarHBondContact O-N 2.87Å
561	T	27.3	Very low	27.8	Very low	115 Å²	115	129.6 Å²	129.6	71%	0.706	71%	0.707	S	S	*	*			trans	-74.4	84.4	-178.4	-50.3	0	0	0	0	111	H559	H559-T561 PolarHBondContact O-N 3.29Å; H559-T561 PolarHBondContact O-OG1 3.39Å
562	I	28.6	Very low	27.7	Very low	130 Å²	130	129 Å²	129	67%	0.667	71%	0.708	S	S	*	*			trans	-74.7	126.2	176.9	-64	175.3	0	0	0	109.7	T560	T560-I562 HydrophobicContact CG2-CG1 4.17Å; T560-I562 PolarHBondContact O-N 2.87Å
563	Y	25.9	Very low	27.5	Very low	135 Å²	135	129.1 Å²	129.1	53%	0.529	71%	0.71	S	S	.	*			trans	-65.2	132.5	174.3	-82.7	-106.1	0	0	0	111.8	N203	N203-Y563 PolarHBondContact ND2-OH 3.47Å; N203-Y563 VanDerWaalsContact ND2-OH 3.1Å; N203-Y563 PolarHBondContact OD1-OH 2.92Å
564	N	28	Very low	27.6	Very low	147 Å²	147	125.2 Å²	125.2	79%	0.786	68%	0.68	S	S	*	*			trans	-135.8	103.5	152.7	-95.7	-14.7	0	0	0	107.3
565	S	26.8	Very low	27.7	Very low	87 Å²	87	122.4 Å²	122.4	61%	0.608	67%	0.669	S	S	*	*			trans	-79.8	149.5	174.5	-66.6	0	0	0	0	111
566	S	27.1	Very low	27.8	Very low	93 Å²	93	119.7 Å²	119.7	65%	0.65	66%	0.66	S	S	*	*	S	Bend	trans	72.1	151.9	177	79.8	0	0	0	0	117.2
567	T	28	Very low	28.2	Very low	83 Å²	83	113 Å²	113	51%	0.509	65%	0.65	S	S	.	*	S	Bend	trans	72.2	126.8	171	65.1	0	0	0	0	119.4	N521	N521-T567 WeakPolarHBondContact CB-OG1 3.39Å; N521-T567 PolarHBondContact ND2-OG1 3.13Å
568	L	27.4	Very low	28.4	Very low	110 Å²	110	115.3 Å²	115.3	58%	0.576	66%	0.655	S	S	*	*			trans	52.9	78	157.3	-81.8	67.3	0	0	0	119	L570	L568-L570 HydrophobicContact CD2-CD1 4.43Å; L568-L570 PolarHBondContact O-N 3.42Å
569	G	26.8	Very low	28.9	Very low	80 Å²	80	112.8 Å²	112.8	83%	0.825	65%	0.65	S	S	*	*			trans	-74.2	55.5	163.9	0	0	0	0	0	114.4	N571	G569-N571 PolarHBondContact O-N 2.76Å
570	L	32.2	Very low	29.2	Very low	90 Å²	90	111.5 Å²	111.5	47%	0.471	65%	0.649	S	S	.	*			trans	-78.6	86.6	-169.2	-139.1	159.9	0	0	0	112.4	L568 T572	L568-L570 HydrophobicContact CD2-CD1 4.43Å; L568-L570 PolarHBondContact O-N 3.42Å; L570-T572 PolarHBondContact O-N 2.81Å
571	N	26.8	Very low	29.5	Very low	160 Å²	160	114.1 Å²	114.1	86%	0.856	66%	0.659	S	S	*	*			trans	-58.5	101.1	179.5	-88.6	-44	0	0	0	112.8	G569	G569-N571 PolarHBondContact O-N 2.76Å
572	T	28.3	Very low	29.7	Very low	97 Å²	97	116 Å²	116	60%	0.595	67%	0.665	S	S	*	*			trans	-156.8	93.8	164.2	6.1	0	0	0	0	113.3	L570 R587	L570-T572 PolarHBondContact O-N 2.81Å; T572-R587 PolarHBondContact OG1-NH2 3.34Å
573	M	27.4	Very low	30	Very low	119 Å²	119	114.7 Å²	114.7	59%	0.586	67%	0.667	S	S	*	*			trans	-144.2	124.2	147.1	-74.9	-159.1	-171.5	0	0	110.6	L1589	M573-L1589 HydrophobicContact SD-CB 4.02Å; M573-L1589 HydrophobicContact SD-CD1 4.13Å
574	N	29.5	Very low	30.2	Very low	39 Å²	39	116.6 Å²	116.6	21%	0.209	69%	0.687	C	S	.	*			cis	-167.8	124	-11.7	69.3	120	0	0	0	107.3	N576 L1587 K1588 L1589	N574-N576 PolarHBondContact O-N 3.48Å; N574-L1587 WeakPolarHBondContact O-CB 3.47Å; N574-L1587 VanDerWaalsContact O-CD2 3.3Å; N574-L1587 WeakPolarHBondContact O-CD2 3.34Å; N574-K1588 PolarHBondContact ND2-O 2.92Å; N574-L1589 HydrophobicContact CB-CD1 3.87Å; N574-L1589 HydrophobicContact CB-CG 4.43Å; N574-L1589 VanDerWaalsContact CG-CG 3.4Å; N574-L1589 WeakPolarHBondContact ND2-CB 3.28Å; N574-L1589 WeakPolarHBondContact ND2-CG 3.49Å; N574-L1589 PolarHBondContact ND2-N 2.89Å; N574-L1589 VanDerWaalsContact OD1-CD1 3.27Å; N574-L1589 WeakPolarHBondContact OD1-CD1 3.22Å; N574-L1589 WeakPolarHBondContact OD1-CG 3.28Å
575	T	29.8	Very low	30.4	Very low	103 Å²	103	117.1 Å²	117.1	63%	0.632	68%	0.684	S	S	*	*			trans	-82.2	115.4	-175.4	-38.7	0	0	0	0	109.8	S577 L1587	T575-S577 PolarHBondContact O-N 3.21Å; T575-S577 PolarHBondContact O-OG 2.69Å; T575-L1587 HydrophobicContact CG2-CD1 4.34Å; T575-L1587 HydrophobicContact CG2-CD2 4.25Å; T575-L1587 WeakPolarHBondContact OG1-CD1 3.28Å
576	N	29.7	Very low	30.5	Very low	134 Å²	134	121.3 Å²	121.3	72%	0.717	70%	0.696	S	S	*	*			trans	-59.8	95.1	175	-88.3	-48.9	0	0	0	110.2	N574	N574-N576 PolarHBondContact O-N 3.48Å
577	S	34.3	Very low	31.1	Very low	97 Å²	97	123.7 Å²	123.7	68%	0.678	69%	0.691	S	S	*	*			trans	-135.9	91.6	-175.9	43.6	0	0	0	0	109.6	T575 S579	T575-S577 PolarHBondContact O-N 3.21Å; T575-S577 PolarHBondContact O-OG 2.69Å; S577-S579 PolarHBondContact O-N 3.04Å
578	N	32.7	Very low	32.2	Very low	171 Å²	171	125.8 Å²	125.8	91%	0.914	69%	0.693	S	S	*	*			trans	-75.3	96.9	172.8	-75	-24	0	0	0	110.2
579	S	35.4	Very low	34.1	Very low	94 Å²	94	121.5 Å²	121.5	66%	0.657	68%	0.676	S	S	*	*			trans	-170.9	112.3	145.1	52.6	0	0	0	0	112.4	S577	S577-S579 PolarHBondContact O-N 3.04Å
580	N	32.5	Very low	36.8	Very low	154 Å²	154	119.1 Å²	119.1	82%	0.824	64%	0.644	S	S	*	*			trans	-1.4	116.3	152.1	-46.6	-12.1	0	0	0	116.8
581	D	34.1	Very low	39.5	Very low	159 Å²	159	115.8 Å²	115.8	85%	0.85	63%	0.626	S	S	*	*			trans	-144.8	153.2	133.4	-132.7	-33.6	0	0	0	110.5
582	N	33	Very low	42.4	Very low	155 Å²	155	111.5 Å²	111.5	83%	0.829	60%	0.603	S	S	*	*			trans	-120.6	89.9	-166.3	-73.1	-66.1	0	0	0	113.1
583	S	35.4	Very low	45.4	Very low	101 Å²	101	107.3 Å²	107.3	71%	0.706	58%	0.577	S	S	*	*			trans	-149.8	127	164.1	52	0	0	0	0	111.4	E585	S583-E585 PolarHBondContact O-N 3.46Å; S583-E585 VanDerWaalsContact O-N 3.1Å
584	N	28.2	Very low	48.4	Very low	176 Å²	176	104.3 Å²	104.3	94%	0.941	56%	0.563	S	S	*	*			trans	-78.2	89	176.9	-65.5	-31.8	0	0	0	110.2
585	E	33	Very low	51.2	Low	158 Å²	158	105.5 Å²	105.5	74%	0.738	57%	0.573	S	S	*	*			trans	-95	113.5	159.1	-72.9	-154.6	108.9	0	0	110	S583	S583-E585 PolarHBondContact O-N 3.46Å; S583-E585 VanDerWaalsContact O-N 3.1Å
586	M	29.6	Very low	53.9	Low	174 Å²	174	109.2 Å²	109.2	86%	0.857	58%	0.58	S	S	*	*			trans	-63.8	136.3	171.2	-163	163.5	67.9	0	0	108.2	K588	M586-K588 PolarHBondContact O-N 2.98Å
587	R	39	Very low	56.8	Low	144 Å²	144	105.5 Å²	105.5	54%	0.543	56%	0.562	S	S	.	*			trans	-55.6	106.9	175	-89.4	-179.5	165.9	-178	-6.7	108.8	T572	T572-R587 PolarHBondContact OG1-NH2 3.34Å
588	K	51.3	Low	59.4	Low	126 Å²	126	100.9 Å²	100.9	55%	0.548	53%	0.53	S	S	.	.			trans	-64.6	133.6	171.8	-72.5	173.8	177.6	166.7	0	108.2	M586	M586-K588 PolarHBondContact O-N 2.98Å
589	G	67	Low	62.2	Low	21 Å²	21	97 Å²	97	22%	0.216	50%	0.503	C	S	.	.			trans	-72.6	158.1	165.4	0	0	0	0	0	109.8	F591 N603	G589-F591 PolarHBondContact O-N 2.86Å; G589-N603 WeakPolarHBondContact O-CB 3.45Å
590	L	82.7	Confident	64.9	Low	30 Å²	30	92.5 Å²	92.5	16%	0.157	47%	0.471	C	S	.	.	S	Bend	trans	-50.4	-28.4	176.1	176.6	58.6	0	0	0	113.3	L602 N603 D604 H605 L606 H614	L590-L602 HydrophobicContact CD1-CD1 4.11Å; L590-N603 PolarHBondContact O-N 2.94Å; L590-D604 HydrophobicContact CD1-CB 3.8Å; L590-D604 WeakPolarHBondContact CD1-O 3.29Å; L590-H605 VanDerWaalsContact CD1-O 3.23Å; L590-H605 WeakPolarHBondContact CD1-O 3.22Å; L590-L606 HydrophobicContact CD1-CD2 4.16Å; L590-L606 HydrophobicContact CD2-CD2 4.12Å; L590-L606 HydrophobicContact CG-CD2 4.3Å; L590-H614 WeakPolarHBondContact CD2-CE1 3.32Å
591	F	88.9	Confident	67.6	Low	20 Å²	20	86.7 Å²	86.7	9%	0.088	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152	171.6	-51.2	-82.2	0	0	0	110.4	L498 L518 G589 L600 I601 L602 L606 H614 I616 I636	L498-F591 HydrophobicContact CD1-CD1 3.88Å; L498-F591 HydrophobicContact CD1-CE1 3.95Å; L518-F591 HydrophobicContact CD1-CB 3.96Å; L518-F591 WeakPolarHBondContact CD1-O 3.17Å; G589-F591 PolarHBondContact O-N 2.86Å; F591-L600 HydrophobicContact CB-CD1 4.33Å; F591-I601 CarbonylContact C-O 3.54Å; F591-I601 VanDerWaalsContact CA-O 3.26Å; F591-I601 WeakPolarHBondContact CA-O 3.41Å; F591-L602 HydrophobicContact CD1-CD1 3.94Å; F591-L602 HydrophobicContact CE1-CD1 3.62Å; F591-L602 HydrophobicContact CZ-CD1 4.42Å; F591-L606 HydrophobicContact CE1-CD2 4Å; F591-L606 HydrophobicContact CZ-CD2 3.63Å; F591-H614 HydrophobicContact CE2-CB 3.91Å; F591-H614 AromaticContact CE2-CG 3.72Å; F591-H614 AromaticContact CE2-ND1 3.86Å; F591-H614 HydrophobicContact CZ-CB 4.11Å; F591-H614 AromaticContact CZ-CD2 3.79Å; F591-H614 AromaticContact CZ-CG 3.82Å; F591-I616 HydrophobicContact CB-CD1 3.89Å; F591-I616 HydrophobicContact CD1-CD1 3.74Å; F591-I616 HydrophobicContact CD2-CD1 3.37Å; F591-I616 HydrophobicContact CD2-CG1 4.02Å; F591-I616 HydrophobicContact CE1-CD1 4.08Å; F591-I616 HydrophobicContact CE2-CD1 3.74Å; F591-I616 HydrophobicContact CE2-CG1 4.24Å; F591-I616 HydrophobicContact CG-CD1 3.36Å; F591-I616 HydrophobicContact CG-CG1 4.45Å; F591-I616 HydrophobicContact CZ-CD1 4.07Å; F591-I636 HydrophobicContact CD1-CD1 4.05Å; F591-I636 HydrophobicContact CE1-CD1 3.45Å; F591-I636 VanDerWaalsContact CE1-CD1 3.45Å; F591-I636 HydrophobicContact CZ-CD1 3.75Å
592	D	89.3	Confident	70.3	Confident	69 Å²	69	79.1 Å²	79.1	37%	0.369	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	166.8	170.8	-136.9	-40.4	0	0	0	110.6	L600 I601 N603	D592-L600 WeakPolarHBondContact O-CA 3.13Å; D592-I601 HydrophobicContact CB-CB 4.28Å; D592-I601 PolarHBondContact N-O 3.32Å; D592-I601 PolarHBondContact O-N 3.21Å; D592-N603 WeakPolarHBondContact CB-ND2 3.17Å; D592-N603 PolarHBondContact OD2-ND2 2.94Å
593	I	91.1	Very high	72.6	Confident	10 Å²	10	73.2 Å²	73.2	5%	0.051	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.3	165.5	-160.4	171.5	0	0	0	111.1	L501 L518 P595 W599 V618	L501-I593 HydrophobicContact CD1-CD1 4.15Å; L518-I593 HydrophobicContact CD2-CB 3.83Å; L518-I593 HydrophobicContact CD2-CD1 4.3Å; L518-I593 HydrophobicContact CD2-CG2 3.91Å; L518-I593 HydrophobicContact CG-CB 3.95Å; L518-I593 HydrophobicContact CG-CG2 3.76Å; I593-P595 VanDerWaalsContact O-CD 3.24Å; I593-P595 WeakPolarHBondContact O-CD 3.04Å; I593-W599 VanDerWaalsContact CA-O 3.32Å; I593-W599 WeakPolarHBondContact CA-O 3.27Å; I593-W599 WeakPolarHBondContact CG1-O 2.85Å; I593-V618 HydrophobicContact CD1-CG1 3.41Å; I593-V618 VanDerWaalsContact CD1-CG1 3.41Å; I593-V618 HydrophobicContact CD1-CG2 4.35Å
594	D	89	Confident	74.8	Confident	55 Å²	55	72.2 Å²	72.2	29%	0.294	35%	0.354	S	S	.	.			trans	-65.4	114.6	167.8	176.8	-23.5	0	0	0	108.8	K596 T597 G598 W599	D594-K596 PolarHBondContact O-N 3.01Å; D594-K596 WeakPolarHBondContact OD1-CA 3.44Å; D594-K596 WeakPolarHBondContact OD1-CB 3.42Å; D594-K596 PolarHBondContact OD1-N 2.9Å; D594-T597 VanDerWaalsContact CB-OG1 3.24Å; D594-T597 WeakPolarHBondContact CB-OG1 3.49Å; D594-T597 PolarHBondContact O-N 2.91Å; D594-T597 PolarHBondContact OD1-N 2.8Å; D594-T597 VanDerWaalsContact OD1-N 3.07Å; D594-T597 WeakPolarHBondContact OD2-CB 3.17Å; D594-T597 VanDerWaalsContact OD2-CG2 3.24Å; D594-T597 WeakPolarHBondContact OD2-CG2 3.28Å; D594-T597 PolarHBondContact OD2-OG1 3.38Å; D594-G598 WeakPolarHBondContact O-CA 3.24Å; D594-G598 PolarHBondContact O-N 3.14Å; D594-W599 HydrophobicContact CB-CB 4.37Å; D594-W599 PolarHBondContact N-O 3.08Å
595	P	89.4	Confident	77.5	Confident	64 Å²	64	69.3 Å²	69.3	42%	0.416	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.1	-172	30.2	-36.6	0	0	0	113.9	I515 Y516 I593	I515-P595 HydrophobicContact CG2-CB 4.14Å; Y516-P595 PolarHBondContact N-O 2.66Å; Y516-P595 VanDerWaalsContact O-CA 3.24Å; Y516-P595 WeakPolarHBondContact O-CA 3.2Å; Y516-P595 VanDerWaalsContact O-CB 3.28Å; Y516-P595 WeakPolarHBondContact O-CB 3.18Å; I593-P595 VanDerWaalsContact O-CD 3.24Å; I593-P595 WeakPolarHBondContact O-CD 3.04Å
596	K	87	Confident	80.1	Confident	182 Å²	182	62.3 Å²	62.3	79%	0.791	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-34.8	179.4	-63.6	179.1	-179.1	176.2	0	113.1	D594	D594-K596 PolarHBondContact O-N 3.01Å; D594-K596 WeakPolarHBondContact OD1-CA 3.44Å; D594-K596 WeakPolarHBondContact OD1-CB 3.42Å; D594-K596 PolarHBondContact OD1-N 2.9Å
597	T	89.3	Confident	82.8	Confident	55 Å²	55	56.3 Å²	56.3	34%	0.337	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-14.6	-176.8	69.6	0	0	0	0	113.9	Q500 D594 W599	Q500-T597 VanDerWaalsContact CG-O 3.31Å; Q500-T597 WeakPolarHBondContact CG-O 3.16Å; Q500-T597 PolarHBondContact NE2-O 3.45Å; D594-T597 VanDerWaalsContact CB-OG1 3.24Å; D594-T597 WeakPolarHBondContact CB-OG1 3.49Å; D594-T597 PolarHBondContact O-N 2.91Å; D594-T597 PolarHBondContact OD1-N 2.8Å; D594-T597 VanDerWaalsContact OD1-N 3.07Å; D594-T597 WeakPolarHBondContact OD2-CB 3.17Å; D594-T597 VanDerWaalsContact OD2-CG2 3.24Å; D594-T597 WeakPolarHBondContact OD2-CG2 3.28Å; D594-T597 PolarHBondContact OD2-OG1 3.38Å; T597-W599 VanDerWaalsContact C-N 3.29Å; T597-W599 PolarHBondContact O-N 2.72Å
598	G	89.3	Confident	85.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.			trans	74.4	14.4	179.4	0	0	0	0	0	114.3	Q500 L501 D594 L600	Q500-G598 CarbonylContact C-O 3.54Å; Q500-G598 WeakPolarHBondContact CA-O 3.45Å; L501-G598 WeakPolarHBondContact CD1-O 3.43Å; L501-G598 PolarHBondContact N-O 2.89Å; D594-G598 WeakPolarHBondContact O-CA 3.24Å; D594-G598 PolarHBondContact O-N 3.14Å; G598-L600 PolarHBondContact O-N 3.24Å
599	W	92.7	Very high	86.8	Confident	90 Å²	90	47 Å²	47	34%	0.341	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.4	173.8	-85.4	109.7	0	0	0	111.4	H497 Q500 I593 D594 T597	H497-W599 HydrophobicContact CB-CE3 3.98Å; H497-W599 HydrophobicContact CB-CZ3 4.18Å; H497-W599 AromaticContact ND1-CD2 3.94Å; Q500-W599 HydrophobicContact CB-CD2 3.89Å; Q500-W599 HydrophobicContact CB-CE3 4.01Å; Q500-W599 HydrophobicContact CB-CG 4.45Å; Q500-W599 HydrophobicContact CB-CH2 4.21Å; Q500-W599 HydrophobicContact CB-CZ2 4.08Å; Q500-W599 HydrophobicContact CB-CZ3 4.18Å; Q500-W599 HydrophobicContact CG-CD2 4.11Å; Q500-W599 HydrophobicContact CG-CG 4.22Å; I593-W599 VanDerWaalsContact CA-O 3.32Å; I593-W599 WeakPolarHBondContact CA-O 3.27Å; I593-W599 WeakPolarHBondContact CG1-O 2.85Å; D594-W599 HydrophobicContact CB-CB 4.37Å; D594-W599 PolarHBondContact N-O 3.08Å; T597-W599 VanDerWaalsContact C-N 3.29Å; T597-W599 PolarHBondContact O-N 2.72Å
600	L	90.5	Very high	87.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.3	170.6	-175.4	76.1	0	0	0	109.9	L498 I499 L501 L518 F591 D592 G598 I616 V634 I636	L498-L600 HydrophobicContact CB-CD2 4.17Å; L498-L600 HydrophobicContact CB-CG 4.44Å; L498-L600 HydrophobicContact CD1-CD2 4.05Å; L498-L600 HydrophobicContact CD1-CG 4.29Å; L498-L600 PolarHBondContact N-O 2.86Å; I499-L600 HydrophobicContact CG2-CB 4.19Å; I499-L600 HydrophobicContact CG2-CD2 4.05Å; I499-L600 PolarHBondContact O-N 3Å; L501-L600 HydrophobicContact CD1-CB 4.45Å; L518-L600 HydrophobicContact CD1-CD1 4.4Å; L518-L600 HydrophobicContact CD2-CD1 3.84Å; F591-L600 HydrophobicContact CB-CD1 4.33Å; D592-L600 WeakPolarHBondContact O-CA 3.13Å; G598-L600 PolarHBondContact O-N 3.24Å; L600-I616 HydrophobicContact CD1-CD1 4.05Å; L600-I616 HydrophobicContact CD1-CG2 4.2Å; L600-I616 HydrophobicContact CD2-CD1 4.05Å; L600-V634 HydrophobicContact CD2-CB 4.46Å; L600-V634 HydrophobicContact CD2-CG1 4.01Å; L600-I636 HydrophobicContact CD2-CD1 4.25Å
601	I	89.9	Confident	87.3	Confident	32 Å²	32	55.6 Å²	55.6	16%	0.164	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.7	-172.3	-54.5	173.8	0	0	0	109.7	L496 F591 D592	L496-I601 WeakPolarHBondContact O-CA 3.48Å; F591-I601 CarbonylContact C-O 3.54Å; F591-I601 VanDerWaalsContact CA-O 3.26Å; F591-I601 WeakPolarHBondContact CA-O 3.41Å; D592-I601 HydrophobicContact CB-CB 4.28Å; D592-I601 PolarHBondContact N-O 3.32Å; D592-I601 PolarHBondContact O-N 3.21Å
602	L	89.7	Confident	87.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127	169.5	-175	66.5	0	0	0	110.2	G495 L496 L498 L590 F591 D604 L606	G495-L602 WeakPolarHBondContact CA-O 3.36Å; G495-L602 PolarHBondContact N-O 2.85Å; L496-L602 HydrophobicContact CB-CB 4.26Å; L496-L602 PolarHBondContact O-N 3.05Å; L498-L602 HydrophobicContact CD1-CB 4.39Å; L590-L602 HydrophobicContact CD1-CD1 4.11Å; F591-L602 HydrophobicContact CD1-CD1 3.94Å; F591-L602 HydrophobicContact CE1-CD1 3.62Å; F591-L602 HydrophobicContact CZ-CD1 4.42Å; L602-D604 WeakPolarHBondContact CD1-O 3.48Å; L602-D604 WeakPolarHBondContact CG-O 3.32Å; L602-L606 HydrophobicContact CD1-CD1 4.26Å; L602-L606 HydrophobicContact CD1-CD2 3.78Å; L602-L606 HydrophobicContact CD1-CG 3.76Å; L602-L606 HydrophobicContact CD2-CD1 4.28Å; L602-L606 HydrophobicContact CD2-CG 4.24Å
603	N	82.7	Confident	86.9	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.16	28%	0.276	C	S	.	.			trans	-117.3	-12.4	-168.9	-118.5	2.1	0	0	0	114.5	G589 L590 D592	G589-N603 WeakPolarHBondContact O-CB 3.45Å; L590-N603 PolarHBondContact O-N 2.94Å; D592-N603 WeakPolarHBondContact CB-ND2 3.17Å; D592-N603 PolarHBondContact OD2-ND2 2.94Å
604	D	81.6	Confident	86.5	Confident	80 Å²	80	58 Å²	58	43%	0.428	28%	0.278	S	S	.	.	S	Bend	trans	-151.7	173.3	-179	-168.7	-3.6	0	0	0	107	L590 L602	L590-D604 HydrophobicContact CD1-CB 3.8Å; L590-D604 WeakPolarHBondContact CD1-O 3.29Å; L602-D604 WeakPolarHBondContact CD1-O 3.48Å; L602-D604 WeakPolarHBondContact CG-O 3.32Å
605	H	85	Confident	86.3	Confident	116 Å²	116	59.6 Å²	59.6	54%	0.537	29%	0.287	S	S	.	.			trans	-74.8	140.6	-177.7	-73.6	-74	0	0	0	113.5	E494 L590	E494-H605 IonicContact OE1-NE2 3.02Å; L590-H605 VanDerWaalsContact CD1-O 3.23Å; L590-H605 WeakPolarHBondContact CD1-O 3.22Å
606	L	87.5	Confident	86.1	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.052	27%	0.271	C	S	.	.			trans	-81	160.4	168.7	-63.8	174.7	0	0	0	110.4	V488 E490 L590 F591 L602 V638	V488-L606 HydrophobicContact CB-CD1 4.06Å; V488-L606 HydrophobicContact CG1-CD1 3.49Å; V488-L606 VanDerWaalsContact CG1-CD1 3.49Å; E490-L606 HydrophobicContact CB-CB 4.02Å; L590-L606 HydrophobicContact CD1-CD2 4.16Å; L590-L606 HydrophobicContact CD2-CD2 4.12Å; L590-L606 HydrophobicContact CG-CD2 4.3Å; F591-L606 HydrophobicContact CE1-CD2 4Å; F591-L606 HydrophobicContact CZ-CD2 3.63Å; L602-L606 HydrophobicContact CD1-CD1 4.26Å; L602-L606 HydrophobicContact CD1-CD2 3.78Å; L602-L606 HydrophobicContact CD1-CG 3.76Å; L602-L606 HydrophobicContact CD2-CD1 4.28Å; L602-L606 HydrophobicContact CD2-CG 4.24Å; L606-V638 HydrophobicContact CB-CG1 4.45Å; L606-V638 HydrophobicContact CD2-CG2 4.47Å
607	D	86.6	Confident	86.1	Confident	48 Å²	48	54 Å²	54	26%	0.257	25%	0.254	S	S	.	.			trans	-158.4	112	-175.4	-175.2	-72.9	0	0	0	108.9	E609 K610 L611	D607-E609 PolarHBondContact OD1-N 2.63Å; D607-K610 HydrophobicContact CB-CB 4.27Å; D607-K610 HydrophobicContact CB-CD 4.16Å; D607-K610 HydrophobicContact CB-CG 4.47Å; D607-K610 VanDerWaalsContact CG-NZ 3.25Å; D607-K610 WeakPolarHBondContact OD1-CB 3.48Å; D607-K610 WeakPolarHBondContact OD1-CG 3.34Å; D607-K610 PolarHBondContact OD1-N 3.31Å; D607-K610 IonicContact OD1-NZ 2.67Å; D607-K610 PolarHBondContact OD1-NZ 3.19Å; D607-K610 IonicContact OD2-NZ 3.7Å; D607-K610 PolarHBondContact OD2-NZ 2.84Å; D607-L611 PolarHBondContact O-N 2.99Å; D607-L611 VanDerWaalsContact O-N 3.08Å
608	Y	88.7	Confident	86	Confident	37 Å²	37	51.4 Å²	51.4	15%	0.145	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-43.4	-173.8	-176.7	-113.6	0	0	0	110.2	E490 K610 L611 K612 V638 D640 T721	E490-Y608 WeakPolarHBondContact OE1-CB 3.24Å; E490-Y608 WeakPolarHBondContact OE2-CB 3.26Å; E490-Y608 PolarHBondContact OE2-N 3.28Å; Y608-K610 VanDerWaalsContact C-N 3.29Å; Y608-K610 PolarHBondContact O-N 3.36Å; Y608-L611 PolarHBondContact O-N 2.93Å; Y608-K612 HydrophobicContact CD1-CD 4.15Å; Y608-K612 HydrophobicContact CD1-CG 4.25Å; Y608-K612 HydrophobicContact CD2-CB 3.82Å; Y608-K612 HydrophobicContact CD2-CD 4.17Å; Y608-K612 HydrophobicContact CD2-CG 3.57Å; Y608-K612 HydrophobicContact CE1-CD 3.76Å; Y608-K612 HydrophobicContact CE1-CG 4.24Å; Y608-K612 HydrophobicContact CE2-CB 3.65Å; Y608-K612 HydrophobicContact CE2-CD 3.78Å; Y608-K612 HydrophobicContact CE2-CG 3.55Å; Y608-K612 HydrophobicContact CG-CD 4.31Å; Y608-K612 HydrophobicContact CG-CG 3.9Å; Y608-K612 WeakPolarHBondContact O-CE 3.12Å; Y608-K612 WeakPolarHBondContact O-CG 3.3Å; Y608-K612 PolarHBondContact O-N 3.4Å; Y608-V638 HydrophobicContact CD2-CB 4.09Å; Y608-V638 HydrophobicContact CD2-CG1 4.11Å; Y608-V638 VanDerWaalsContact CD2-O 3.32Å; Y608-V638 WeakPolarHBondContact CD2-O 3.31Å; Y608-V638 VanDerWaalsContact CE2-O 3.28Å; Y608-V638 WeakPolarHBondContact CE2-O 3.33Å; Y608-D640 HydrophobicContact CD1-CB 3.72Å; Y608-D640 HydrophobicContact CD2-CB 4.42Å; Y608-D640 HydrophobicContact CE1-CB 3.54Å; Y608-D640 WeakPolarHBondContact CE1-OD2 3.35Å; Y608-D640 HydrophobicContact CE2-CB 4.28Å; Y608-D640 HydrophobicContact CG-CB 4.2Å; Y608-T721 HydrophobicContact CE1-CG2 3.82Å; Y608-T721 PolarHBondContact OH-OG1 2.81Å
609	E	84.8	Confident	86	Confident	38 Å²	38	53 Å²	53	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-35.6	-179.3	-81	33.8	-92.1	0	0	112.9	D607 K612 V644 P719	D607-E609 PolarHBondContact OD1-N 2.63Å; E609-K612 IonicContact OE1-NZ 2.9Å; E609-K612 PolarHBondContact OE1-NZ 2.61Å; E609-V644 HydrophobicContact CG-CG2 4.28Å; E609-P719 HydrophobicContact CG-CB 3.94Å; E609-P719 HydrophobicContact CG-CG 3.89Å
610	K	80.5	Confident	85.7	Confident	154 Å²	154	48.7 Å²	48.7	67%	0.67	23%	0.229	S	C	*	.	H	α-helix	trans	-78.2	-47.2	172.4	-71.9	174.2	-169.5	74.4	0	112.7	D607 Y608	D607-K610 HydrophobicContact CB-CB 4.27Å; D607-K610 HydrophobicContact CB-CD 4.16Å; D607-K610 HydrophobicContact CB-CG 4.47Å; D607-K610 VanDerWaalsContact CG-NZ 3.25Å; D607-K610 WeakPolarHBondContact OD1-CB 3.48Å; D607-K610 WeakPolarHBondContact OD1-CG 3.34Å; D607-K610 PolarHBondContact OD1-N 3.31Å; D607-K610 IonicContact OD1-NZ 2.67Å; D607-K610 PolarHBondContact OD1-NZ 3.19Å; D607-K610 IonicContact OD2-NZ 3.7Å; D607-K610 PolarHBondContact OD2-NZ 2.84Å; Y608-K610 VanDerWaalsContact C-N 3.29Å; Y608-K610 PolarHBondContact O-N 3.36Å
611	L	80.3	Confident	85.6	Confident	78 Å²	78	54.2 Å²	54.2	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-157	84.1	-172.6	-167.4	53.7	0	0	0	115	D607 Y608 H613	D607-L611 PolarHBondContact O-N 2.99Å; D607-L611 VanDerWaalsContact O-N 3.08Å; Y608-L611 PolarHBondContact O-N 2.93Å; L611-H613 WeakPolarHBondContact CG-O 3.43Å; L611-H613 PolarHBondContact O-N 3.45Å
612	K	84.7	Confident	85.3	Confident	66 Å²	66	52.8 Å²	52.8	29%	0.287	24%	0.243	S	C	.	.	S	Bend	trans	-53.9	-14.6	178.5	-52.4	-174	-176.3	-114.8	0	115.8	Y608 E609 V638	Y608-K612 HydrophobicContact CD1-CD 4.15Å; Y608-K612 HydrophobicContact CD1-CG 4.25Å; Y608-K612 HydrophobicContact CD2-CB 3.82Å; Y608-K612 HydrophobicContact CD2-CD 4.17Å; Y608-K612 HydrophobicContact CD2-CG 3.57Å; Y608-K612 HydrophobicContact CE1-CD 3.76Å; Y608-K612 HydrophobicContact CE1-CG 4.24Å; Y608-K612 HydrophobicContact CE2-CB 3.65Å; Y608-K612 HydrophobicContact CE2-CD 3.78Å; Y608-K612 HydrophobicContact CE2-CG 3.55Å; Y608-K612 HydrophobicContact CG-CD 4.31Å; Y608-K612 HydrophobicContact CG-CG 3.9Å; Y608-K612 WeakPolarHBondContact O-CE 3.12Å; Y608-K612 WeakPolarHBondContact O-CG 3.3Å; Y608-K612 PolarHBondContact O-N 3.4Å; E609-K612 IonicContact OE1-NZ 2.9Å; E609-K612 PolarHBondContact OE1-NZ 2.61Å; K612-V638 PolarHBondContact O-N 3.07Å; K612-V638 VanDerWaalsContact O-N 3.08Å
613	H	85.2	Confident	84.8	Confident	61 Å²	61	56.5 Å²	56.5	28%	0.282	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	123	179	176.3	-121.6	0	0	0	112	L611 S635 I636 Y637	L611-H613 WeakPolarHBondContact CG-O 3.43Å; L611-H613 PolarHBondContact O-N 3.45Å; H613-S635 WeakPolarHBondContact NE2-CB 3.31Å; H613-S635 PolarHBondContact NE2-OG 3.29Å; H613-S635 VanDerWaalsContact NE2-OG 3.16Å; H613-I636 CarbonylContact C-O 3.48Å; H613-I636 WeakPolarHBondContact CA-O 3.43Å; H613-I636 PolarHBondContact CD2-O 3.19Å; H613-I636 VanDerWaalsContact CD2-O 3.3Å; H613-Y637 HydrophobicContact CB-CD1 4.28Å; H613-Y637 HydrophobicContact CB-CE1 4.35Å; H613-Y637 AromaticContact CD2-CD1 3.64Å; H613-Y637 AromaticContact CD2-CE1 3.44Å; H613-Y637 VanDerWaalsContact CD2-CE1 3.44Å; H613-Y637 WeakPolarHBondContact CD2-CE1 3.13Å; H613-Y637 AromaticContact CD2-CZ 3.69Å; H613-Y637 AromaticContact CG-CE1 3.94Å; H613-Y637 AromaticContact NE2-CE1 3.95Å; H613-Y637 AromaticContact NE2-CZ 3.76Å
614	H	82.4	Confident	84.3	Confident	21 Å²	21	55.9 Å²	55.9	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.6	171.3	-55.2	-87.4	0	0	0	110.5	L590 F591 I616 I636	L590-H614 WeakPolarHBondContact CD2-CE1 3.32Å; F591-H614 HydrophobicContact CE2-CB 3.91Å; F591-H614 AromaticContact CE2-CG 3.72Å; F591-H614 AromaticContact CE2-ND1 3.86Å; F591-H614 HydrophobicContact CZ-CB 4.11Å; F591-H614 AromaticContact CZ-CD2 3.79Å; F591-H614 AromaticContact CZ-CG 3.82Å; H614-I616 HydrophobicContact CB-CG1 4.5Å; H614-I636 HydrophobicContact CB-CB 4.25Å; H614-I636 PolarHBondContact N-O 3.43Å; H614-I636 PolarHBondContact O-N 2.93Å
615	L	84.3	Confident	83.4	Confident	90 Å²	90	58 Å²	58	47%	0.471	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	93	173.2	-167.6	79.9	0	0	0	109.4	I633	L615-I633 HydrophobicContact CD1-CG2 3.4Å; L615-I633 VanDerWaalsContact CD1-CG2 3.4Å; L615-I633 HydrophobicContact CG-CG2 4Å
616	I	85.5	Confident	82.3	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.1	179.6	-57.7	178.3	0	0	0	109.2	L518 F591 L600 H614 V618 V634 I636	L518-I616 HydrophobicContact CD2-CG2 3.69Å; F591-I616 HydrophobicContact CB-CD1 3.89Å; F591-I616 HydrophobicContact CD1-CD1 3.74Å; F591-I616 HydrophobicContact CD2-CD1 3.37Å; F591-I616 HydrophobicContact CD2-CG1 4.02Å; F591-I616 HydrophobicContact CE1-CD1 4.08Å; F591-I616 HydrophobicContact CE2-CD1 3.74Å; F591-I616 HydrophobicContact CE2-CG1 4.24Å; F591-I616 HydrophobicContact CG-CD1 3.36Å; F591-I616 HydrophobicContact CG-CG1 4.45Å; F591-I616 HydrophobicContact CZ-CD1 4.07Å; L600-I616 HydrophobicContact CD1-CD1 4.05Å; L600-I616 HydrophobicContact CD1-CG2 4.2Å; L600-I616 HydrophobicContact CD2-CD1 4.05Å; H614-I616 HydrophobicContact CB-CG1 4.5Å; I616-V618 HydrophobicContact CG2-CG2 4.04Å; I616-V634 HydrophobicContact CB-CB 4.31Å; I616-V634 PolarHBondContact N-O 3.07Å; I616-V634 PolarHBondContact O-N 3.39Å; I616-I636 HydrophobicContact CD1-CD1 3.47Å; I616-I636 VanDerWaalsContact CD1-CD1 3.47Å; I616-I636 HydrophobicContact CD1-CG1 4.19Å; I616-I636 HydrophobicContact CG1-CD1 4.4Å
617	R	86.2	Confident	81.5	Confident	113 Å²	113	59 Å²	59	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118	170.9	-62.5	-176.2	167.3	-112.2	5.4	108.5	V519 E631	V519-R617 HydrophobicContact CB-CB 3.94Å; V519-R617 HydrophobicContact CG2-CB 3.64Å; V519-R617 PolarHBondContact N-O 3.3Å; R617-E631 HydrophobicContact CB-CG 4.45Å; R617-E631 VanDerWaalsContact CB-OE1 3.24Å; R617-E631 WeakPolarHBondContact CB-OE1 3.43Å; R617-E631 WeakPolarHBondContact CD-OE1 3.28Å; R617-E631 WeakPolarHBondContact CG-OE1 3.41Å; R617-E631 IonicContact CZ-OE1 2.61Å; R617-E631 IonicContact NE-OE1 3.24Å; R617-E631 PolarHBondContact NE-OE1 3.29Å; R617-E631 IonicContact NH1-OE1 2.68Å; R617-E631 PolarHBondContact NH1-OE1 3.39Å; R617-E631 IonicContact NH1-OE2 3.82Å; R617-E631 PolarHBondContact NH1-OE2 2.86Å
618	V	87.7	Confident	80.9	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.7	174.5	-171	0	0	0	0	108	F479 L501 S517 L518 I593 I616 E631 A632 V634	F479-V618 VanDerWaalsContact CE2-O 3.25Å; F479-V618 WeakPolarHBondContact CE2-O 3.41Å; F479-V618 HydrophobicContact CZ-CB 4.29Å; F479-V618 HydrophobicContact CZ-CG1 3.99Å; L501-V618 HydrophobicContact CD1-CG2 4.21Å; L501-V618 HydrophobicContact CD2-CB 3.94Å; L501-V618 HydrophobicContact CD2-CG1 4.17Å; L501-V618 HydrophobicContact CD2-CG2 3.9Å; S517-V618 WeakPolarHBondContact O-CA 3.31Å; L518-V618 HydrophobicContact CD2-CG2 3.94Å; I593-V618 HydrophobicContact CD1-CG1 3.41Å; I593-V618 VanDerWaalsContact CD1-CG1 3.41Å; I593-V618 HydrophobicContact CD1-CG2 4.35Å; I616-V618 HydrophobicContact CG2-CG2 4.04Å; V618-E631 WeakPolarHBondContact O-CA 3.47Å; V618-A632 PolarHBondContact N-O 2.79Å; V618-A632 PolarHBondContact O-N 2.79Å; V618-V634 HydrophobicContact CG2-CG2 4.1Å
619	I	89.3	Confident	80.7	Confident	32 Å²	32	60 Å²	60	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.6	173.1	-78.9	-178.6	0	0	0	108	Y516 S517 V519 R621 Y629 E631	Y516-I619 CarbonylContact C-O 3.56Å; Y516-I619 WeakPolarHBondContact CA-O 3.4Å; S517-I619 PolarHBondContact N-O 3.42Å; S517-I619 PolarHBondContact O-N 3.47Å; V519-I619 HydrophobicContact CG2-CD1 3.61Å; V519-I619 HydrophobicContact CG2-CG1 3.7Å; I619-R621 HydrophobicContact CG2-CB 3.71Å; I619-Y629 HydrophobicContact CD1-CD2 4.03Å; I619-Y629 HydrophobicContact CD1-CE2 4.23Å; I619-Y629 HydrophobicContact CG1-CD2 3.95Å; I619-Y629 HydrophobicContact CG1-CE2 4.43Å; I619-Y629 HydrophobicContact CG2-CD2 4.28Å; I619-Y629 HydrophobicContact CG2-CG 4.33Å; I619-E631 HydrophobicContact CG1-CG 4.45Å
620	A	87.9	Confident	80.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.5	158.4	0	0	0	0	0	105.6	P477 F479 A503 I514 Y516 Y629 D630	P477-A620 WeakPolarHBondContact CG-O 3.39Å; F479-A620 HydrophobicContact CD1-CB 4.31Å; F479-A620 HydrophobicContact CD2-CB 4.09Å; F479-A620 HydrophobicContact CE1-CB 3.72Å; F479-A620 HydrophobicContact CE2-CB 3.48Å; F479-A620 VanDerWaalsContact CE2-CB 3.48Å; F479-A620 VanDerWaalsContact CE2-N 3.25Å; F479-A620 HydrophobicContact CG-CB 4.48Å; F479-A620 HydrophobicContact CZ-CB 3.28Å; F479-A620 VanDerWaalsContact CZ-N 3.29Å; A503-A620 HydrophobicContact CB-CB 3.46Å; A503-A620 VanDerWaalsContact CB-CB 3.46Å; I514-A620 HydrophobicContact CG2-CB 3.9Å; Y516-A620 HydrophobicContact CD1-CB 3.99Å; Y516-A620 HydrophobicContact CE1-CB 3.91Å; A620-Y629 WeakPolarHBondContact O-CA 3.28Å; A620-Y629 VanDerWaalsContact O-CB 3.31Å; A620-Y629 WeakPolarHBondContact O-CB 3.37Å; A620-D630 PolarHBondContact N-O 3.13Å; A620-D630 PolarHBondContact O-N 3.23Å
621	R	87	Confident	81.2	Confident	116 Å²	116	53.7 Å²	53.7	44%	0.438	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.4	179.9	-178	-172.9	-96.9	-151.9	-9.7	109.1	I514 I515 I619 P627 G628	I514-R621 CarbonylContact C-O 3.57Å; I514-R621 VanDerWaalsContact CA-O 3.25Å; I514-R621 WeakPolarHBondContact CA-O 3.48Å; I515-R621 PolarHBondContact N-O 3.47Å; I515-R621 PolarHBondContact O-N 3.34Å; I619-R621 HydrophobicContact CG2-CB 3.71Å; R621-P627 HydrophobicContact CG-CB 3.66Å; R621-P627 HydrophobicContact CG-CG 4.28Å; R621-P627 VanDerWaalsContact NH1-CG 3.35Å; R621-G628 VanDerWaalsContact CA-O 3.31Å; R621-G628 WeakPolarHBondContact CA-O 3.1Å; R621-G628 WeakPolarHBondContact CG-O 3.49Å
622	D	83.9	Confident	81.5	Confident	2 Å²	2	50 Å²	50	1%	0.011	23%	0.233	C	C	.	.			trans	-68.6	-155.1	164.5	66.6	30.9	0	0	0	112.6	N473 P477 S511 Q513 S624 P627 G628	N473-D622 PolarHBondContact ND2-OD2 3.24Å; N473-D622 VanDerWaalsContact ND2-OD2 3.12Å; N473-D622 PolarHBondContact OD1-OD2 3.38Å; P477-D622 HydrophobicContact CG-CB 4.16Å; S511-D622 VanDerWaalsContact C-CB 3.46Å; S511-D622 WeakPolarHBondContact CA-OD2 3.22Å; S511-D622 WeakPolarHBondContact O-CB 3.34Å; Q513-D622 CarbonylContact O-C 3.57Å; Q513-D622 WeakPolarHBondContact O-CA 3.43Å; D622-S624 VanDerWaalsContact OD1-CB 3.32Å; D622-S624 WeakPolarHBondContact OD1-CB 3.13Å; D622-S624 PolarHBondContact OD1-N 3.06Å; D622-P627 WeakPolarHBondContact OD1-CA 3.46Å; D622-P627 WeakPolarHBondContact OD1-CB 3.38Å; D622-G628 VanDerWaalsContact CG-N 3.34Å; D622-G628 PolarHBondContact N-O 3.35Å; D622-G628 PolarHBondContact OD1-N 2.77Å; D622-G628 WeakPolarHBondContact OD2-CA 3.32Å; D622-G628 PolarHBondContact OD2-N 3.39Å
623	Q	78.9	Confident	81.6	Confident	79 Å²	79	49.4 Å²	49.4	37%	0.369	23%	0.232	S	C	.	.	S	Bend	trans	-122.2	19.9	171.7	-77.6	166	63.9	0	0	114.1	K510 Q513 I515	K510-Q623 WeakPolarHBondContact CB-O 3.47Å; K510-Q623 WeakPolarHBondContact CD-O 3.43Å; K510-Q623 CarbonylContact O-C 3.59Å; K510-Q623 VanDerWaalsContact O-C 3.3Å; K510-Q623 WeakPolarHBondContact O-CA 3.34Å; K510-Q623 PolarHBondContact O-N 2.82Å; Q513-Q623 HydrophobicContact CB-CB 4.27Å; Q513-Q623 HydrophobicContact CB-CG 4.31Å; Q513-Q623 WeakPolarHBondContact O-CG 3.26Å; Q513-Q623 PolarHBondContact O-N 2.76Å; Q513-Q623 PolarHBondContact O-NE2 2.66Å; I515-Q623 HydrophobicContact CD1-CG 3.58Å; I515-Q623 HydrophobicContact CG1-CG 4.09Å
624	S	73.3	Confident	81.7	Confident	16 Å²	16	46.5 Å²	46.5	11%	0.112	22%	0.219	C	C	.	.			trans	-64.4	167.6	-178.1	148.6	0	0	0	0	114.7	N473 K510 S511 D622 H626 P627	N473-S624 VanDerWaalsContact OD1-CB 3.27Å; N473-S624 WeakPolarHBondContact OD1-CB 3.35Å; N473-S624 PolarHBondContact OD1-OG 2.73Å; K510-S624 PolarHBondContact O-N 3.09Å; S511-S624 VanDerWaalsContact CA-CB 3.44Å; S511-S624 VanDerWaalsContact OG-CB 3.26Å; S511-S624 WeakPolarHBondContact OG-CB 3.33Å; D622-S624 VanDerWaalsContact OD1-CB 3.32Å; D622-S624 WeakPolarHBondContact OD1-CB 3.13Å; D622-S624 PolarHBondContact OD1-N 3.06Å; S624-H626 PolarHBondContact OG-N 3Å; S624-H626 PolarHBondContact OG-O 2.9Å; S624-P627 WeakPolarHBondContact O-CD 3.17Å
625	D	62.3	Low	81.9	Confident	126 Å²	126	46.3 Å²	46.3	67%	0.674	22%	0.22	S	C	*	.	S	Bend	trans	-80.8	-23.4	172.3	-67.6	-38.9	0	0	0	111.5	K510 P627	K510-D625 IonicContact NZ-OD1 3.41Å; K510-D625 PolarHBondContact NZ-OD1 2.9Å; K510-D625 IonicContact NZ-OD2 2.64Å; D625-P627 WeakPolarHBondContact O-CD 3.26Å
626	H	62.4	Low	82.1	Confident	121 Å²	121	42 Å²	42	56%	0.56	20%	0.197	S	C	*	.	S	Bend	trans	-119.3	61.3	163.7	-67.3	117.6	0	0	0	110.1	N473 S624 G628	N473-H626 WeakPolarHBondContact CB-O 3.11Å; N473-H626 PolarHBondContact OD1-O 2.9Å; S624-H626 PolarHBondContact OG-N 3Å; S624-H626 PolarHBondContact OG-O 2.9Å; H626-G628 PolarHBondContact O-N 2.8Å; H626-G628 VanDerWaalsContact O-N 3.17Å
627	P	69.2	Low	82.3	Confident	25 Å²	25	45.8 Å²	45.8	16%	0.162	21%	0.211	C	C	.	.			trans	-65.4	118.2	-155.4	26.4	-36.6	0	0	0	113.6	R621 D622 S624 D625	R621-P627 HydrophobicContact CG-CB 3.66Å; R621-P627 HydrophobicContact CG-CG 4.28Å; R621-P627 VanDerWaalsContact NH1-CG 3.35Å; D622-P627 WeakPolarHBondContact OD1-CA 3.46Å; D622-P627 WeakPolarHBondContact OD1-CB 3.38Å; S624-P627 WeakPolarHBondContact O-CD 3.17Å; D625-P627 WeakPolarHBondContact O-CD 3.26Å
628	G	74	Confident	82.4	Confident	7 Å²	7	40.6 Å²	40.6	7%	0.072	19%	0.192	C	C	.	.			trans	-57.5	144.2	173	0	0	0	0	0	110.4	P477 R621 D622 H626	P477-G628 VanDerWaalsContact CD-O 3.3Å; P477-G628 WeakPolarHBondContact CD-O 3.47Å; P477-G628 WeakPolarHBondContact CG-O 3.46Å; R621-G628 VanDerWaalsContact CA-O 3.31Å; R621-G628 WeakPolarHBondContact CA-O 3.1Å; R621-G628 WeakPolarHBondContact CG-O 3.49Å; D622-G628 VanDerWaalsContact CG-N 3.34Å; D622-G628 PolarHBondContact N-O 3.35Å; D622-G628 PolarHBondContact OD1-N 2.77Å; D622-G628 WeakPolarHBondContact OD2-CA 3.32Å; D622-G628 PolarHBondContact OD2-N 3.39Å; H626-G628 PolarHBondContact O-N 2.8Å; H626-G628 VanDerWaalsContact O-N 3.17Å
629	Y	86.1	Confident	82.4	Confident	99 Å²	99	43.1 Å²	43.1	39%	0.388	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.6	169.9	71.2	-73.5	0	0	0	110.9	H476 I619 A620	H476-Y629 PolarHBondContact CD2-O 2.76Å; I619-Y629 HydrophobicContact CD1-CD2 4.03Å; I619-Y629 HydrophobicContact CD1-CE2 4.23Å; I619-Y629 HydrophobicContact CG1-CD2 3.95Å; I619-Y629 HydrophobicContact CG1-CE2 4.43Å; I619-Y629 HydrophobicContact CG2-CD2 4.28Å; I619-Y629 HydrophobicContact CG2-CG 4.33Å; A620-Y629 WeakPolarHBondContact O-CA 3.28Å; A620-Y629 VanDerWaalsContact O-CB 3.31Å; A620-Y629 WeakPolarHBondContact O-CB 3.37Å
630	D	88.6	Confident	82.4	Confident	15 Å²	15	43.3 Å²	43.3	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	166.4	153.3	-169.1	21.7	0	0	0	109.2	P477 F479 K482 A620	P477-D630 WeakPolarHBondContact O-CB 3.35Å; P477-D630 PolarHBondContact O-N 3.12Å; F479-D630 WeakPolarHBondContact CB-OD2 2.94Å; F479-D630 HydrophobicContact CD2-CB 3.84Å; F479-D630 WeakPolarHBondContact CE2-O 3.31Å; F479-D630 PolarHBondContact N-OD2 3.01Å; K482-D630 IonicContact NZ-OD1 2.58Å; K482-D630 PolarHBondContact NZ-OD1 3.04Å; K482-D630 IonicContact NZ-OD2 2.66Å; K482-D630 PolarHBondContact NZ-OD2 2.74Å; A620-D630 PolarHBondContact N-O 3.13Å; A620-D630 PolarHBondContact O-N 3.23Å
631	E	85.8	Confident	82.4	Confident	45 Å²	45	46.4 Å²	46.4	21%	0.21	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.7	179.1	-159.9	-167.3	143.3	0	0	110.3	R617 V618 I619	R617-E631 HydrophobicContact CB-CG 4.45Å; R617-E631 VanDerWaalsContact CB-OE1 3.24Å; R617-E631 WeakPolarHBondContact CB-OE1 3.43Å; R617-E631 WeakPolarHBondContact CD-OE1 3.28Å; R617-E631 WeakPolarHBondContact CG-OE1 3.41Å; R617-E631 IonicContact CZ-OE1 2.61Å; R617-E631 IonicContact NE-OE1 3.24Å; R617-E631 PolarHBondContact NE-OE1 3.29Å; R617-E631 IonicContact NH1-OE1 2.68Å; R617-E631 PolarHBondContact NH1-OE1 3.39Å; R617-E631 IonicContact NH1-OE2 3.82Å; R617-E631 PolarHBondContact NH1-OE2 2.86Å; V618-E631 WeakPolarHBondContact O-CA 3.47Å; I619-E631 HydrophobicContact CG1-CG 4.45Å
632	A	87.6	Confident	82.5	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	170.3	0	0	0	0	0	109.8	F479 K482 L501 V618	F479-A632 HydrophobicContact CB-CB 4.21Å; F479-A632 HydrophobicContact CD1-CB 3.78Å; F479-A632 HydrophobicContact CD2-CB 3.52Å; F479-A632 VanDerWaalsContact CD2-N 3.34Å; F479-A632 HydrophobicContact CE1-CB 3.89Å; F479-A632 HydrophobicContact CE2-CB 3.61Å; F479-A632 HydrophobicContact CG-CB 3.6Å; F479-A632 HydrophobicContact CZ-CB 3.78Å; K482-A632 WeakPolarHBondContact O-CA 3.32Å; L501-A632 HydrophobicContact CD2-CB 3.55Å; V618-A632 PolarHBondContact N-O 2.79Å; V618-A632 PolarHBondContact O-N 2.79Å
633	I	86.4	Confident	82.7	Confident	53 Å²	53	47.1 Å²	47.1	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.1	179.3	-64.4	178.1	0	0	0	109.1	K482 S483 L484 L615	K482-I633 PolarHBondContact O-N 3.13Å; S483-I633 CarbonylContact C-O 3.44Å; S483-I633 WeakPolarHBondContact CA-O 3.4Å; L484-I633 PolarHBondContact N-O 3Å; L615-I633 HydrophobicContact CD1-CG2 3.4Å; L615-I633 VanDerWaalsContact CD1-CG2 3.4Å; L615-I633 HydrophobicContact CG-CG2 4Å
634	V	87.6	Confident	83	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	105.9	168.9	-171.9	0	0	0	0	108.4	L484 I486 I499 L501 L600 I616 V618 I636	L484-V634 HydrophobicContact CB-CG1 4.49Å; L484-V634 HydrophobicContact CB-CG2 4.36Å; L484-V634 HydrophobicContact CD1-CG2 4.38Å; I486-V634 HydrophobicContact CD1-CG1 3.82Å; I499-V634 HydrophobicContact CG2-CG1 4.3Å; L501-V634 HydrophobicContact CD1-CG2 4.28Å; L501-V634 HydrophobicContact CD2-CG2 3.9Å; L600-V634 HydrophobicContact CD2-CB 4.46Å; L600-V634 HydrophobicContact CD2-CG1 4.01Å; I616-V634 HydrophobicContact CB-CB 4.31Å; I616-V634 PolarHBondContact N-O 3.07Å; I616-V634 PolarHBondContact O-N 3.39Å; V618-V634 HydrophobicContact CG2-CG2 4.1Å; V634-I636 HydrophobicContact CG1-CG1 4.12Å
635	S	86.9	Confident	83.6	Confident	18 Å²	18	45.8 Å²	45.8	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.9	169.7	-86	0	0	0	0	109.2	L484 I485 I486 H613	L484-S635 PolarHBondContact O-N 3.31Å; I485-S635 WeakPolarHBondContact CA-O 3.45Å; I486-S635 WeakPolarHBondContact CA-O 2.98Å; I486-S635 PolarHBondContact N-O 3.45Å; H613-S635 WeakPolarHBondContact NE2-CB 3.31Å; H613-S635 PolarHBondContact NE2-OG 3.29Å; H613-S635 VanDerWaalsContact NE2-OG 3.16Å
636	I	87.8	Confident	85	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.1	171.4	-52.5	-171.2	0	0	0	108.4	I486 V488 L498 F591 L600 H613 H614 I616 V634	I486-I636 HydrophobicContact CD1-CD1 4.02Å; I486-I636 HydrophobicContact CD1-CG1 3.78Å; I486-I636 WeakPolarHBondContact O-CA 3.47Å; V488-I636 HydrophobicContact CB-CG2 4.03Å; V488-I636 HydrophobicContact CG2-CG2 3.7Å; L498-I636 HydrophobicContact CD1-CD1 3.83Å; F591-I636 HydrophobicContact CD1-CD1 4.05Å; F591-I636 HydrophobicContact CE1-CD1 3.45Å; F591-I636 VanDerWaalsContact CE1-CD1 3.45Å; F591-I636 HydrophobicContact CZ-CD1 3.75Å; L600-I636 HydrophobicContact CD2-CD1 4.25Å; H613-I636 CarbonylContact C-O 3.48Å; H613-I636 WeakPolarHBondContact CA-O 3.43Å; H613-I636 PolarHBondContact CD2-O 3.19Å; H613-I636 VanDerWaalsContact CD2-O 3.3Å; H614-I636 HydrophobicContact CB-CB 4.25Å; H614-I636 PolarHBondContact N-O 3.43Å; H614-I636 PolarHBondContact O-N 2.93Å; I616-I636 HydrophobicContact CD1-CD1 3.47Å; I616-I636 VanDerWaalsContact CD1-CD1 3.47Å; I616-I636 HydrophobicContact CD1-CG1 4.19Å; I616-I636 HydrophobicContact CG1-CD1 4.4Å; V634-I636 HydrophobicContact CG1-CG1 4.12Å
637	Y	88.5	Confident	86.1	Confident	94 Å²	94	39.1 Å²	39.1	37%	0.369	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.8	164.6	-66.1	-80.4	0	0	0	108.5	I485 I486 N487 V488 H613	I485-Y637 HydrophobicContact CG2-CD2 3.77Å; I485-Y637 HydrophobicContact CG2-CE2 3.72Å; I486-Y637 PolarHBondContact O-N 2.99Å; N487-Y637 WeakPolarHBondContact CA-O 3.36Å; V488-Y637 PolarHBondContact N-O 2.8Å; H613-Y637 HydrophobicContact CB-CD1 4.28Å; H613-Y637 HydrophobicContact CB-CE1 4.35Å; H613-Y637 AromaticContact CD2-CD1 3.64Å; H613-Y637 AromaticContact CD2-CE1 3.44Å; H613-Y637 VanDerWaalsContact CD2-CE1 3.44Å; H613-Y637 WeakPolarHBondContact CD2-CE1 3.13Å; H613-Y637 AromaticContact CD2-CZ 3.69Å; H613-Y637 AromaticContact CG-CE1 3.94Å; H613-Y637 AromaticContact NE2-CE1 3.95Å; H613-Y637 AromaticContact NE2-CZ 3.76Å
638	V	88.4	Confident	87	Confident	5 Å²	5	39 Å²	39	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.8	171.5	-176	0	0	0	0	107	V488 E490 L606 Y608 K612	V488-V638 CarbonylContact O-C 3.55Å; V488-V638 WeakPolarHBondContact O-CA 3.3Å; E490-V638 HydrophobicContact CB-CG1 3.64Å; L606-V638 HydrophobicContact CB-CG1 4.45Å; L606-V638 HydrophobicContact CD2-CG2 4.47Å; Y608-V638 HydrophobicContact CD2-CB 4.09Å; Y608-V638 HydrophobicContact CD2-CG1 4.11Å; Y608-V638 VanDerWaalsContact CD2-O 3.32Å; Y608-V638 WeakPolarHBondContact CD2-O 3.31Å; Y608-V638 VanDerWaalsContact CE2-O 3.28Å; Y608-V638 WeakPolarHBondContact CE2-O 3.33Å; K612-V638 PolarHBondContact O-N 3.07Å; K612-V638 VanDerWaalsContact O-N 3.08Å
639	T	88.3	Confident	87.3	Confident	53 Å²	53	41.9 Å²	41.9	33%	0.325	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.9	174.3	62.5	0	0	0	0	109.9	N487 V488 P489 E490	N487-T639 HydrophobicContact CB-CG2 4.19Å; V488-T639 PolarHBondContact O-N 3.08Å; P489-T639 VanDerWaalsContact CA-OG1 3.28Å; P489-T639 WeakPolarHBondContact CA-OG1 3.42Å; E490-T639 PolarHBondContact N-O 2.72Å
640	D	89	Confident	87.1	Confident	36 Å²	36	38.4 Å²	38.4	19%	0.193	21%	0.206	C	C	.	.			trans	-28.5	126.9	166.8	-169.5	-56.9	0	0	0	114.3	E490 Y608 N642 T721	E490-D640 VanDerWaalsContact OE1-CA 3.27Å; E490-D640 WeakPolarHBondContact OE1-CA 3Å; Y608-D640 HydrophobicContact CD1-CB 3.72Å; Y608-D640 HydrophobicContact CD2-CB 4.42Å; Y608-D640 HydrophobicContact CE1-CB 3.54Å; Y608-D640 WeakPolarHBondContact CE1-OD2 3.35Å; Y608-D640 HydrophobicContact CE2-CB 4.28Å; Y608-D640 HydrophobicContact CG-CB 4.2Å; D640-N642 PolarHBondContact OD1-N 3.34Å; D640-T721 WeakPolarHBondContact OD2-CA 3.25Å; D640-T721 VanDerWaalsContact OD2-CB 3.32Å; D640-T721 WeakPolarHBondContact OD2-CB 3.15Å; D640-T721 PolarHBondContact OD2-N 3.36Å; D640-T721 PolarHBondContact OD2-OG1 3Å
641	I	87.9	Confident	86.2	Confident	65 Å²	65	40 Å²	40	33%	0.333	21%	0.212	S	C	.	.			trans	-132.1	98.9	166.8	-57.9	-68.9	0	0	0	108.3	P489 E490 D643	P489-I641 HydrophobicContact CB-CD1 4.3Å; P489-I641 HydrophobicContact CB-CG1 4.16Å; E490-I641 HydrophobicContact CG-CB 4.2Å; E490-I641 HydrophobicContact CG-CG1 4.38Å; E490-I641 PolarHBondContact OE1-N 3.3Å; I641-D643 WeakPolarHBondContact O-CB 3.19Å; I641-D643 PolarHBondContact O-N 3.3Å
642	N	88.9	Confident	85.4	Confident	24 Å²	24	39.2 Å²	39.2	13%	0.128	21%	0.212	C	C	.	.			trans	-20.1	85.9	169.1	-159.4	121.6	0	0	0	116	D640 D720 G724 D830 G832 L836	D640-N642 PolarHBondContact OD1-N 3.34Å; N642-D720 VanDerWaalsContact CA-OD2 3.26Å; N642-D720 WeakPolarHBondContact CA-OD2 3.33Å; N642-G724 WeakPolarHBondContact OD1-CA 3.08Å; N642-D830 PolarHBondContact ND2-OD2 2.81Å; N642-D830 PolarHBondContact OD1-OD2 3.4Å; N642-G832 WeakPolarHBondContact OD1-CA 3.22Å; N642-L836 WeakPolarHBondContact ND2-CD1 3.25Å; N642-L836 WeakPolarHBondContact ND2-CG 3.34Å
643	D	88	Confident	84.4	Confident	108 Å²	108	41.4 Å²	41.4	58%	0.578	23%	0.225	S	C	*	.			trans	-127.7	-13.9	-176.7	101.1	-19	0	0	0	114.4	I641 D720 L836	I641-D643 WeakPolarHBondContact O-CB 3.19Å; I641-D643 PolarHBondContact O-N 3.3Å; D643-D720 PolarHBondContact N-OD2 3.16Å; D643-D720 VanDerWaalsContact N-OD2 3.15Å; D643-L836 WeakPolarHBondContact O-CD1 3.14Å
644	V	85.9	Confident	82.9	Confident	33 Å²	33	42.6 Å²	42.6	20%	0.2	23%	0.232	C	C	.	.	S	Bend	trans	-98.1	127.3	172.6	-165.5	0	0	0	0	110.1	E609 P719 D720	E609-V644 HydrophobicContact CG-CG2 4.28Å; V644-P719 HydrophobicContact CB-CG 3.95Å; V644-P719 HydrophobicContact CG1-CG 3.94Å; V644-P719 HydrophobicContact CG2-CG 4.04Å; V644-D720 VanDerWaalsContact CB-OD1 3.24Å; V644-D720 WeakPolarHBondContact CB-OD1 3.1Å; V644-D720 WeakPolarHBondContact CG2-OD1 3.21Å; V644-D720 PolarHBondContact N-OD2 3.32Å
645	A	86.8	Confident	80.8	Confident	34 Å²	34	50.5 Å²	50.5	28%	0.281	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-79.4	147.2	173.8	0	0	0	0	0	111.6	Q647 L836	A645-Q647 PolarHBondContact O-N 3.47Å; A645-L836 HydrophobicContact CB-CB 3.81Å
646	P	90.9	Very high	78.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-52	126.6	-177.5	-20	18.8	0	0	0	113.2	I648 V716 D718 F727 C828 D830 S838	P646-I648 PolarHBondContact O-N 3.19Å; P646-V716 HydrophobicContact CB-CG1 4.04Å; P646-D718 WeakPolarHBondContact CA-OD2 3.43Å; P646-D718 WeakPolarHBondContact CB-OD2 3.45Å; P646-D718 VanDerWaalsContact CD-OD2 3.3Å; P646-D718 WeakPolarHBondContact CD-OD2 3.48Å; P646-D718 WeakPolarHBondContact CG-OD2 3.4Å; P646-F727 HydrophobicContact CB-CB 4.2Å; P646-F727 HydrophobicContact CB-CD1 4.44Å; P646-F727 HydrophobicContact CB-CG 4.31Å; P646-F727 HydrophobicContact CG-CB 3.94Å; P646-C828 HydrophobicContact CB-CB 4.14Å; P646-D830 HydrophobicContact CG-CB 4.19Å; P646-S838 WeakPolarHBondContact O-CB 3.48Å; P646-S838 PolarHBondContact O-OG 2.85Å
647	Q	86.2	Confident	75.6	Confident	108 Å²	108	57.5 Å²	57.5	51%	0.505	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.6	-172.4	-57.1	-172	11.8	0	0	112.1	A645 V716 N717	A645-Q647 PolarHBondContact O-N 3.47Å; Q647-V716 WeakPolarHBondContact O-CA 3.17Å; Q647-N717 WeakPolarHBondContact CB-O 3.39Å; Q647-N717 PolarHBondContact N-O 3.24Å; Q647-N717 PolarHBondContact O-N 3.23Å; Q647-N717 VanDerWaalsContact O-N 3.11Å
648	I	87.2	Confident	72.7	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.118	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.6	179.9	-57.2	168.9	0	0	0	111.2	P646 V650 I714 V716 I826 C828 S838 H840	P646-I648 PolarHBondContact O-N 3.19Å; I648-V650 HydrophobicContact CG2-CG2 3.89Å; I648-I714 HydrophobicContact CG2-CG2 3.73Å; I648-V716 HydrophobicContact CG1-CG2 4.32Å; I648-I826 HydrophobicContact CD1-CG2 4.21Å; I648-C828 HydrophobicContact CD1-CB 3.99Å; I648-C828 HydrophobicContact CG1-CB 4.13Å; I648-S838 VanDerWaalsContact CD1-OG 3.23Å; I648-S838 WeakPolarHBondContact CD1-OG 3.34Å; I648-S838 WeakPolarHBondContact CG1-OG 2.99Å; I648-H840 HydrophobicContact CB-CB 4.43Å; I648-H840 HydrophobicContact CD1-CB 4.49Å; I648-H840 HydrophobicContact CG2-CB 3.9Å
649	T	81.3	Confident	69.8	Low	66 Å²	66	64 Å²	64	41%	0.405	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.9	168.9	-59.9	0	0	0	0	110.1	T173 I714 V715	T173-T649 HydrophobicContact CG2-CG2 4.43Å; T649-I714 WeakPolarHBondContact O-CA 3.45Å; T649-V715 PolarHBondContact N-O 2.64Å; T649-V715 PolarHBondContact O-N 2.93Å
650	V	80.6	Confident	66.9	Low	27 Å²	27	68.4 Å²	68.4	16%	0.164	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.2	-177.2	-169.7	0	0	0	0	110.7	I648 L676 A712 F713 I714 H840 I842	I648-V650 HydrophobicContact CG2-CG2 3.89Å; V650-L676 HydrophobicContact CB-CD2 4.38Å; V650-L676 HydrophobicContact CG1-CD2 3.55Å; V650-A712 HydrophobicContact CG1-CB 3.71Å; V650-F713 WeakPolarHBondContact CA-O 3.27Å; V650-I714 HydrophobicContact CG1-CG1 4.42Å; V650-I714 HydrophobicContact CG2-CG1 4.41Å; V650-H840 HydrophobicContact CG2-CB 4.35Å; V650-I842 HydrophobicContact CG1-CD1 4.14Å
651	E	70.8	Confident	63.9	Low	48 Å²	48	71.5 Å²	71.5	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.8	173.2	-69.1	-165	-158.5	0	0	110.9	T173 A712 F713	T173-E651 WeakPolarHBondContact CB-OE1 3.32Å; T173-E651 WeakPolarHBondContact CG2-OE1 3.4Å; T173-E651 PolarHBondContact OG1-OE1 3.41Å; E651-A712 CarbonylContact O-C 3.49Å; E651-A712 VanDerWaalsContact O-CA 3.29Å; E651-A712 WeakPolarHBondContact O-CA 3.44Å; E651-F713 PolarHBondContact N-O 3.22Å; E651-F713 PolarHBondContact O-N 3.32Å
652	S	69.3	Low	61.3	Low	28 Å²	28	75.3 Å²	75.3	20%	0.196	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.1	173.2	178.7	0	0	0	0	111.2	N654	S652-N654 VanDerWaalsContact C-N 3.33Å; S652-N654 PolarHBondContact OG-N 2.81Å; S652-N654 PolarHBondContact OG-O 2.85Å
653	V	64.8	Low	58.6	Low	46 Å²	46	82.3 Å²	82.3	28%	0.279	46%	0.455	S	S	.	.	S	Bend	trans	-64.1	-42.3	170.8	179.3	0	0	0	0	110.4	R655 L710 L711 F713	V653-R655 PolarHBondContact O-N 2.73Å; V653-R655 VanDerWaalsContact O-N 3.16Å; V653-L710 HydrophobicContact CG2-CB 4.47Å; V653-L710 HydrophobicContact CG2-CD2 3.69Å; V653-L710 HydrophobicContact CG2-CG 3.72Å; V653-L711 PolarHBondContact N-O 3.01Å; V653-L711 VanDerWaalsContact N-O 3.15Å; V653-F713 HydrophobicContact CG2-CD2 4.32Å; V653-F713 HydrophobicContact CG2-CE2 4.13Å
654	N	56.5	Low	56	Low	79 Å²	79	84.4 Å²	84.4	42%	0.422	47%	0.466	S	S	.	.	S	Bend	trans	-79.8	95.9	173.4	-74.1	-11.9	0	0	0	109.1	S652 I656 Y679	S652-N654 VanDerWaalsContact C-N 3.33Å; S652-N654 PolarHBondContact OG-N 2.81Å; S652-N654 PolarHBondContact OG-O 2.85Å; N654-I656 PolarHBondContact O-N 2.64Å; N654-Y679 PolarHBondContact ND2-O 2.9Å
655	R	42.9	Very low	53.4	Low	165 Å²	165	90.7 Å²	90.7	62%	0.623	49%	0.493	S	S	*	.			trans	-71.1	56.4	169.9	-71.9	-167.7	177.8	-171	1.5	112.4	V653 S657	V653-R655 PolarHBondContact O-N 2.73Å; V653-R655 VanDerWaalsContact O-N 3.16Å; R655-S657 VanDerWaalsContact C-N 3.31Å; R655-S657 PolarHBondContact O-N 3.48Å
656	I	36.7	Very low	51	Low	95 Å²	95	97.5 Å²	97.5	49%	0.487	52%	0.518	S	S	.	.			trans	-62.9	101.4	158.7	-62.3	174.1	0	0	0	105.7	N654 Y679	N654-I656 PolarHBondContact O-N 2.64Å; I656-Y679 HydrophobicContact CD1-CD2 3.81Å; I656-Y679 HydrophobicContact CD1-CG 4.12Å
657	S	28.3	Very low	48.3	Very low	71 Å²	71	104.3 Å²	104.3	50%	0.497	55%	0.55	S	S	.	.			trans	-63.3	139.4	-174.6	-65.8	0	0	0	0	109.7	R655 S659 Q660	R655-S657 VanDerWaalsContact C-N 3.31Å; R655-S657 PolarHBondContact O-N 3.48Å; S657-S659 WeakPolarHBondContact CB-OG 3Å; S657-S659 PolarHBondContact O-N 3.16Å; S657-Q660 PolarHBondContact O-N 3.05Å
658	S	28.4	Very low	45.6	Very low	139 Å²	139	107.8 Å²	107.8	97%	0.972	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	44.4	179.9	53	0	0	0	0	113.2
659	S	26.2	Very low	42.9	Very low	95 Å²	95	114.2 Å²	114.2	66%	0.664	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.7	-3.3	-172.1	58	0	0	0	0	113.5	S657	S657-S659 WeakPolarHBondContact CB-OG 3Å; S657-S659 PolarHBondContact O-N 3.16Å
660	Q	29.3	Very low	40.5	Very low	146 Å²	146	119.1 Å²	119.1	68%	0.682	61%	0.607	S	S	*	*			trans	-111.7	70	171.9	-74.7	-172.9	-27.1	0	0	111.6	S657 I662	S657-Q660 PolarHBondContact O-N 3.05Å; Q660-I662 VanDerWaalsContact C-N 3.26Å; Q660-I662 PolarHBondContact O-N 3.42Å
661	S	25.3	Very low	38.2	Very low	102 Å²	102	127.4 Å²	127.4	71%	0.713	64%	0.641	S	S	*	*			trans	-72.7	80.4	166	58.9	0	0	0	0	110.2	H663	S661-H663 PolarHBondContact O-N 3.07Å
662	I	33.2	Very low	36.8	Very low	145 Å²	145	129.8 Å²	129.8	74%	0.744	66%	0.656	S	S	*	*			trans	-77.8	111	173.5	-61.8	179.1	0	0	0	108	Q660 D664	Q660-I662 VanDerWaalsContact C-N 3.26Å; Q660-I662 PolarHBondContact O-N 3.42Å; I662-D664 PolarHBondContact O-N 2.74Å
663	H	32.1	Very low	36.2	Very low	171 Å²	171	134.8 Å²	134.8	79%	0.792	68%	0.68	S	S	*	*	S	Bend	trans	17.5	81.3	170.6	-69.8	-12.4	0	0	0	118.5	S661	S661-H663 PolarHBondContact O-N 3.07Å
664	D	32.6	Very low	36.7	Very low	152 Å²	152	137 Å²	137	81%	0.813	69%	0.69	S	S	*	*			trans	-133.1	134.3	136	-156.9	-6.3	0	0	0	110.5	I662 H666	I662-D664 PolarHBondContact O-N 2.74Å; D664-H666 PolarHBondContact O-N 2.69Å
665	H	32.5	Very low	37.8	Very low	165 Å²	165	135.4 Å²	135.4	76%	0.764	68%	0.683	S	S	*	*	S	Bend	trans	-104	38.2	-157	-118.3	55.9	0	0	0	113.9
666	H	35.9	Very low	39.6	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.815	66%	0.662	S	S	*	*	S	Bend	trans	-140	-18.7	176.3	-97.9	-63.8	0	0	0	119.1	D664	D664-H666 PolarHBondContact O-N 2.69Å
667	H	33.7	Very low	41.7	Very low	144 Å²	144	130.3 Å²	130.3	67%	0.667	66%	0.661	S	S	*	*			trans	-103.4	79.4	-177	-96	-81.6	0	0	0	114.9
668	H	30.6	Very low	44.3	Very low	180 Å²	180	127 Å²	127	83%	0.833	64%	0.638	S	S	*	*			trans	-121	49.1	163.5	-95	7.2	0	0	0	112.1
669	Q	31	Very low	46.8	Very low	158 Å²	158	124.8 Å²	124.8	74%	0.738	61%	0.609	S	S	*	*			trans	-137.6	165.6	160.8	-92.4	178.7	-45.7	0	0	108.6
670	Y	30.2	Very low	49.2	Very low	170 Å²	170	120.6 Å²	120.6	67%	0.667	58%	0.579	S	S	*	*			trans	72.8	76.3	-175.3	-47.6	-71.1	0	0	0	116.1	N672	Y670-N672 PolarHBondContact O-N 3.33Å; Y670-N672 VanDerWaalsContact O-N 3.12Å
671	K	32.4	Very low	51.5	Low	200 Å²	200	117.7 Å²	117.7	87%	0.87	57%	0.568	S	S	*	*			trans	-72.8	76.6	139.9	-88.9	-165	169.2	-165.4	0	108.7
672	N	41.3	Very low	54.1	Low	99 Å²	99	113.3 Å²	113.3	53%	0.529	54%	0.536	S	S	.	.			trans	-96.3	110.1	162.7	-79.3	12.8	0	0	0	107	Y670 N674 V675	Y670-N672 PolarHBondContact O-N 3.33Å; Y670-N672 VanDerWaalsContact O-N 3.12Å; N672-N674 PolarHBondContact O-N 2.95Å; N672-V675 HydrophobicContact CB-CG2 4.4Å; N672-V675 PolarHBondContact O-N 3.31Å
673	N	57.5	Low	55.7	Low	132 Å²	132	107.8 Å²	107.8	71%	0.706	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.6	-175.9	-66.8	-2.8	0	0	0	114	H840	N673-H840 PolarHBondContact O-CE1 3.16Å
674	N	73.5	Confident	56.7	Low	92 Å²	92	104 Å²	104	49%	0.492	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	15.9	-175	-59.1	55.9	0	0	0	112.8	N672 S839 H840 V841	N672-N674 PolarHBondContact O-N 2.95Å; N674-S839 PolarHBondContact ND2-O 2.98Å; N674-S839 VanDerWaalsContact ND2-O 3.11Å; N674-H840 PolarHBondContact O-CD2 2.93Å; N674-V841 PolarHBondContact O-N 3.08Å
675	V	80.4	Confident	57.1	Low	46 Å²	46	98.6 Å²	98.6	28%	0.279	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	112.9	176.9	-170.3	0	0	0	0	110.3	N672 Y677 V841	N672-V675 HydrophobicContact CB-CG2 4.4Å; N672-V675 PolarHBondContact O-N 3.31Å; V675-Y677 HydrophobicContact CB-CE2 4.42Å; V675-Y677 HydrophobicContact CG1-CD2 4.33Å; V675-Y677 HydrophobicContact CG1-CE2 3.81Å; V675-V841 CarbonylContact C-O 3.56Å; V675-V841 WeakPolarHBondContact CA-O 3.46Å; V675-V841 HydrophobicContact CG2-CB 4.41Å
676	L	80.7	Confident	57.4	Low	35 Å²	35	100 Å²	100	18%	0.183	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.4	169.7	176.1	64	0	0	0	109.9	V650 V678 A712 V841 I842 K843	V650-L676 HydrophobicContact CB-CD2 4.38Å; V650-L676 HydrophobicContact CG1-CD2 3.55Å; L676-V678 HydrophobicContact CD2-CG2 3.94Å; L676-V678 HydrophobicContact CG-CG2 3.94Å; L676-A712 HydrophobicContact CD2-CB 4.34Å; L676-V841 PolarHBondContact N-O 3.35Å; L676-I842 HydrophobicContact CB-CG1 4.2Å; L676-I842 HydrophobicContact CD2-CG1 4.38Å; L676-I842 WeakPolarHBondContact O-CA 3.23Å; L676-K843 PolarHBondContact O-N 2.81Å
677	Y	81	Confident	57.4	Low	119 Å²	119	97.2 Å²	97.2	47%	0.467	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	170.5	-67	-93.1	0	0	0	109.6	V675 K843 I845	V675-Y677 HydrophobicContact CB-CE2 4.42Å; V675-Y677 HydrophobicContact CG1-CD2 4.33Å; V675-Y677 HydrophobicContact CG1-CE2 3.81Å; Y677-K843 WeakPolarHBondContact CA-O 3.07Å; Y677-K843 HydrophobicContact CD1-CB 4.23Å; Y677-K843 HydrophobicContact CD1-CG 4.39Å; Y677-K843 HydrophobicContact CE1-CB 4.34Å; Y677-K843 HydrophobicContact CE1-CD 4.16Å; Y677-K843 HydrophobicContact CE1-CG 4.35Å; Y677-I845 HydrophobicContact CD1-CD1 3.9Å
678	V	81.9	Confident	57.3	Low	2 Å²	2	95.4 Å²	95.4	1%	0.012	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.6	176.2	-174.2	0	0	0	0	108.4	L676 I680 L711 I842 K843 V844 I845	L676-V678 HydrophobicContact CD2-CG2 3.94Å; L676-V678 HydrophobicContact CG-CG2 3.94Å; V678-I680 HydrophobicContact CG1-CG2 4.19Å; V678-L711 HydrophobicContact CG1-CD2 4.32Å; V678-I842 HydrophobicContact CG2-CG2 4.07Å; V678-K843 PolarHBondContact N-O 3.01Å; V678-V844 CarbonylContact O-C 3.57Å; V678-V844 WeakPolarHBondContact O-CA 3.1Å; V678-I845 PolarHBondContact O-N 2.94Å
679	Y	80.7	Confident	57.4	Low	92 Å²	92	93.6 Å²	93.6	36%	0.361	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.7	173.1	-61.5	-99.6	0	0	0	109.1	N654 I656 I845	N654-Y679 PolarHBondContact ND2-O 2.9Å; I656-Y679 HydrophobicContact CD1-CD2 3.81Å; I656-Y679 HydrophobicContact CD1-CG 4.12Å; Y679-I845 WeakPolarHBondContact CA-O 3.43Å; Y679-I845 HydrophobicContact CD1-CB 3.83Å; Y679-I845 HydrophobicContact CD1-CD1 4.33Å; Y679-I845 HydrophobicContact CD1-CG2 3.85Å; Y679-I845 HydrophobicContact CE1-CB 3.94Å; Y679-I845 HydrophobicContact CE1-CD1 3.6Å; Y679-I845 HydrophobicContact CE1-CG1 4.36Å; Y679-I845 HydrophobicContact CE1-CG2 3.85Å; Y679-I845 HydrophobicContact CE2-CD1 4.44Å
680	I	78.3	Confident	57.4	Low	7 Å²	7	93 Å²	93	4%	0.036	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147	175.1	62	179.3	0	0	0	108.8	V678 L711 F814 V844 I845 V846 Q847	V678-I680 HydrophobicContact CG1-CG2 4.19Å; I680-L711 HydrophobicContact CG2-CD2 3.95Å; I680-F814 HydrophobicContact CD1-CB 4.34Å; I680-F814 HydrophobicContact CD1-CD2 3.24Å; I680-F814 HydrophobicContact CD1-CE2 3.65Å; I680-F814 HydrophobicContact CD1-CG 3.95Å; I680-V844 HydrophobicContact CD1-CG1 3.45Å; I680-V844 VanDerWaalsContact CD1-CG1 3.45Å; I680-V844 HydrophobicContact CG1-CG1 3.72Å; I680-I845 PolarHBondContact N-O 3.06Å; I680-V846 CarbonylContact O-C 3.5Å; I680-Q847 WeakPolarHBondContact O-CB 3.24Å; I680-Q847 WeakPolarHBondContact O-CG 3.39Å; I680-Q847 PolarHBondContact O-N 2.93Å
681	N	77.2	Confident	57.3	Low	85 Å²	85	93.3 Å²	93.3	46%	0.455	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	150.3	160.8	-63.2	10.3	0	0	0	108.8	L849	N681-L849 HydrophobicContact CB-CD1 4.26Å; N681-L849 HydrophobicContact CB-CD2 4.3Å; N681-L849 HydrophobicContact CB-CG 4.4Å
682	E	78.6	Confident	57	Low	9 Å²	9	92 Å²	92	4%	0.042	47%	0.466	C	S	.	.			trans	-65.8	169	168.1	77.2	-163	119.8	0	0	112.6	F814 Y816 V846 Q847 D848 L849	E682-F814 WeakPolarHBondContact CB-O 3.27Å; E682-Y816 WeakPolarHBondContact OE2-CB 3.43Å; E682-Y816 PolarHBondContact OE2-N 2.92Å; E682-V846 HydrophobicContact CB-CG1 3.65Å; E682-Q847 PolarHBondContact N-O 2.88Å; E682-D848 WeakPolarHBondContact OE1-CA 3.42Å; E682-L849 HydrophobicContact CG-CB 4.2Å; E682-L849 HydrophobicContact CG-CD1 4.02Å; E682-L849 HydrophobicContact CG-CG 4.02Å; E682-L849 PolarHBondContact OE1-N 2.84Å
683	T	67.7	Low	56.7	Low	29 Å²	29	94 Å²	94	18%	0.178	48%	0.475	C	S	.	.			trans	-110.9	126	174.7	55.9	0	0	0	0	109.5	G685 G813 F814	T683-G685 PolarHBondContact O-N 2.8Å; T683-G685 VanDerWaalsContact O-N 3.13Å; T683-G813 VanDerWaalsContact OG1-C 3.25Å; T683-G813 WeakPolarHBondContact OG1-CA 3.34Å; T683-F814 PolarHBondContact N-O 2.92Å; T683-F814 PolarHBondContact OG1-O 3.15Å
684	P	53.6	Low	55.5	Low	93 Å²	93	93.7 Å²	93.7	60%	0.604	47%	0.474	S	S	*	.			trans	-48.2	118.8	-171.4	-33.5	36.2	0	0	0	114.2	R686 D851	P684-R686 PolarHBondContact O-N 3.46Å; P684-D851 VanDerWaalsContact CA-OD2 3.27Å; P684-D851 WeakPolarHBondContact CA-OD2 3.29Å
685	G	41.3	Very low	53.6	Low	37 Å²	37	96.5 Å²	96.5	38%	0.381	49%	0.489	S	S	.	.			trans	-72.2	89.4	-171.1	0	0	0	0	0	111.1	T683 N687 D851	T683-G685 PolarHBondContact O-N 2.8Å; T683-G685 VanDerWaalsContact O-N 3.13Å; G685-N687 PolarHBondContact O-N 2.78Å; G685-D851 PolarHBondContact N-OD2 2.76Å
686	R	38.9	Very low	51.7	Low	195 Å²	195	102.8 Å²	102.8	74%	0.736	52%	0.515	S	S	*	.			trans	-70.1	80.6	-179.9	-167.3	-174.8	-176.6	-169.4	-0.3	111.5	P684 T688	P684-R686 PolarHBondContact O-N 3.46Å; R686-T688 PolarHBondContact O-N 2.55Å
687	N	34.2	Very low	49.6	Very low	118 Å²	118	109.3 Å²	109.3	63%	0.631	54%	0.544	S	S	*	.			trans	-14.7	91.3	173.2	-100.3	-73.7	0	0	0	114.5	G685 N689	G685-N687 PolarHBondContact O-N 2.78Å; N687-N689 PolarHBondContact O-N 2.93Å
688	T	31.5	Very low	47.4	Very low	105 Å²	105	111.2 Å²	111.2	64%	0.644	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-76	-9.9	-176.5	44	0	0	0	0	113.7	R686 N690	R686-T688 PolarHBondContact O-N 2.55Å; T688-N690 VanDerWaalsContact C-N 3.28Å; T688-N690 PolarHBondContact O-N 2.95Å
689	N	33	Very low	45	Very low	143 Å²	143	119 Å²	119	77%	0.765	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-75.5	-6.1	-176.2	-65.6	-38.3	0	0	0	115.1	N687	N687-N689 PolarHBondContact O-N 2.93Å
690	N	30.6	Very low	43	Very low	146 Å²	146	120.6 Å²	120.6	78%	0.781	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-123.4	10.2	-170.7	-99.4	-7	0	0	0	115.5	T688	T688-N690 VanDerWaalsContact C-N 3.28Å; T688-N690 PolarHBondContact O-N 2.95Å
691	Y	28.5	Very low	40.8	Very low	175 Å²	175	130.1 Å²	130.1	69%	0.686	65%	0.651	S	S	*	*			trans	-117.9	95.8	170.5	-87.9	-85.5	0	0	0	111.1	L693	Y691-L693 PolarHBondContact O-N 2.85Å
692	Q	26.7	Very low	38.6	Very low	173 Å²	173	129.8 Å²	129.8	81%	0.808	66%	0.655	S	S	*	*			trans	-61	113.8	156.3	-175.7	167.7	-19.4	0	0	107	D694	Q692-D694 PolarHBondContact O-N 3.03Å; Q692-D694 VanDerWaalsContact O-N 3.12Å
693	L	34	Very low	36.6	Very low	140 Å²	140	133 Å²	133	73%	0.733	67%	0.672	S	S	*	*			trans	-82.2	91.9	-171.4	-109.6	161.7	0	0	0	110.3	Y691 N695	Y691-L693 PolarHBondContact O-N 2.85Å; L693-N695 PolarHBondContact O-N 2.88Å
694	D	33.2	Very low	34.9	Very low	127 Å²	127	136.5 Å²	136.5	68%	0.679	69%	0.689	S	S	*	*			trans	-63.7	128.6	169.1	-62	-33.5	0	0	0	109.4	Q692 E696	Q692-D694 PolarHBondContact O-N 3.03Å; Q692-D694 VanDerWaalsContact O-N 3.12Å; D694-E696 VanDerWaalsContact C-N 3.27Å; D694-E696 PolarHBondContact O-N 3.17Å
695	N	34.2	Very low	34	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	48	-159.1	-78.1	-45.1	0	0	0	115.8	L693	L693-N695 PolarHBondContact O-N 2.88Å
696	E	40	Very low	34.3	Very low	179 Å²	179	141.1 Å²	141.1	84%	0.836	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	-1.8	-178	-64.2	-158.5	144.1	0	0	116.1	D694	D694-E696 VanDerWaalsContact C-N 3.27Å; D694-E696 PolarHBondContact O-N 3.17Å
697	H	36.8	Very low	35	Very low	172 Å²	172	135 Å²	135	80%	0.796	68%	0.675	S	S	*	*			trans	-114.4	30.6	-176.2	-85.4	-59.8	0	0	0	116.3	N699	H697-N699 VanDerWaalsContact C-N 3.32Å; H697-N699 PolarHBondContact O-N 3.44Å
698	L	34.9	Very low	36.4	Very low	159 Å²	159	132.6 Å²	132.6	83%	0.832	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	78.1	171	-78.4	168.7	0	0	0	112.5
699	N	31.6	Very low	38.3	Very low	164 Å²	164	130.8 Å²	130.8	88%	0.877	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156	8.9	168.8	-112.3	-38.4	0	0	0	115.4	H697	H697-N699 VanDerWaalsContact C-N 3.32Å; H697-N699 PolarHBondContact O-N 3.44Å
700	E	38.5	Very low	40.4	Very low	126 Å²	126	126.2 Å²	126.2	59%	0.589	62%	0.623	S	S	*	*			trans	-106.5	59.8	-169.3	-145.9	-177.2	162	0	0	114.9	S702 I703	E700-S702 PolarHBondContact O-N 2.96Å; E700-I703 HydrophobicContact CB-CD1 4.02Å; E700-I703 HydrophobicContact CB-CG1 4Å; E700-I703 VanDerWaalsContact CD-CG1 3.45Å; E700-I703 HydrophobicContact CG-CD1 4.13Å; E700-I703 HydrophobicContact CG-CG1 3.68Å; E700-I703 PolarHBondContact O-N 3.29Å
701	Y	31	Very low	42.8	Very low	208 Å²	208	119.5 Å²	119.5	82%	0.816	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-14.3	167.9	-125.2	-91.6	0	0	0	113.1	I703	Y701-I703 VanDerWaalsContact C-N 3.31Å; Y701-I703 PolarHBondContact O-N 2.93Å
702	S	32.1	Very low	45.3	Very low	78 Å²	78	111.1 Å²	111.1	55%	0.545	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-14.9	176.4	-50.9	0	0	0	0	115	E700 T705	E700-S702 PolarHBondContact O-N 2.96Å; S702-T705 PolarHBondContact O-OG1 3.5Å
703	I	35.7	Very low	47.7	Very low	76 Å²	76	104 Å²	104	39%	0.39	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-45.8	-179.2	-51.8	176.4	0	0	0	111.1	E700 Y701 T705 K706	E700-I703 HydrophobicContact CB-CD1 4.02Å; E700-I703 HydrophobicContact CB-CG1 4Å; E700-I703 VanDerWaalsContact CD-CG1 3.45Å; E700-I703 HydrophobicContact CG-CD1 4.13Å; E700-I703 HydrophobicContact CG-CG1 3.68Å; E700-I703 PolarHBondContact O-N 3.29Å; Y701-I703 VanDerWaalsContact C-N 3.31Å; Y701-I703 PolarHBondContact O-N 2.93Å; I703-T705 VanDerWaalsContact C-N 3.31Å; I703-T705 PolarHBondContact O-N 3.1Å; I703-K706 PolarHBondContact O-N 3.05Å
704	L	32.8	Very low	50.1	Low	102 Å²	102	97.4 Å²	97.4	53%	0.534	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-59.5	-40.4	-177.9	-98.5	70	0	0	0	112.3	K706 M707	L704-K706 PolarHBondContact O-N 3.4Å; L704-M707 PolarHBondContact O-N 3.5Å
705	T	35.3	Very low	52.5	Low	56 Å²	56	92.8 Å²	92.8	34%	0.344	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-67.7	-2.3	-178.3	48.5	0	0	0	0	114.7	S702 I703	S702-T705 PolarHBondContact O-OG1 3.5Å; I703-T705 VanDerWaalsContact C-N 3.31Å; I703-T705 PolarHBondContact O-N 3.1Å
706	K	47.3	Very low	54.9	Low	172 Å²	172	85.7 Å²	85.7	75%	0.748	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-92.2	-16.6	169.3	-95.3	-176	170.8	-176.1	0	114.8	I703 L704	I703-K706 PolarHBondContact O-N 3.05Å; L704-K706 PolarHBondContact O-N 3.4Å
707	M	53	Low	57	Low	67 Å²	67	80.2 Å²	80.2	33%	0.33	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-16	-175	-67.1	-172.3	176.7	0	0	114	L704 Q709 T810 Y812	L704-M707 PolarHBondContact O-N 3.5Å; M707-Q709 PolarHBondContact O-N 2.78Å; M707-T810 PolarHBondContact O-OG1 3.01Å; M707-T810 VanDerWaalsContact O-OG1 3.05Å; M707-Y812 HydrophobicContact SD-CD1 4.36Å
708	T	63.9	Low	59.4	Low	67 Å²	67	72.2 Å²	72.2	41%	0.411	37%	0.365	S	S	.	.			trans	-76.7	113.6	-179.8	54.6	0	0	0	0	111.8	T810	T708-T810 WeakPolarHBondContact CA-O 3.43Å
709	Q	72	Confident	61.8	Low	67 Å²	67	66.3 Å²	66.3	31%	0.313	34%	0.336	S	S	.	.			trans	-114.2	139.9	176.4	-56.7	-172	27.3	0	0	110.8	M707 I809 T810	M707-Q709 PolarHBondContact O-N 2.78Å; Q709-I809 CarbonylContact O-C 3.52Å; Q709-I809 WeakPolarHBondContact O-CA 3.4Å; Q709-T810 HydrophobicContact CB-CG2 4.15Å; Q709-T810 PolarHBondContact N-OG1 2.83Å; Q709-T810 PolarHBondContact O-N 2.88Å
710	L	76.1	Confident	64.5	Low	46 Å²	46	58.7 Å²	58.7	24%	0.241	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118	174.3	179.7	73.1	0	0	0	109.9	V653 F713 E807 I809	V653-L710 HydrophobicContact CG2-CB 4.47Å; V653-L710 HydrophobicContact CG2-CD2 3.69Å; V653-L710 HydrophobicContact CG2-CG 3.72Å; L710-F713 HydrophobicContact CD2-CE1 3.96Å; L710-F713 HydrophobicContact CD2-CE2 3.89Å; L710-F713 HydrophobicContact CD2-CZ 3.48Å; L710-F713 VanDerWaalsContact CD2-CZ 3.48Å; L710-E807 HydrophobicContact CD1-CB 3.57Å; L710-I809 HydrophobicContact CB-CG2 4.47Å; L710-I809 HydrophobicContact CD1-CG2 3.79Å
711	L	81.1	Confident	66.7	Low	5 Å²	5	55.4 Å²	55.4	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-49.9	-177	-59.9	178.3	0	0	0	112.1	V653 V678 I680 F796 L808 T810 V844	V653-L711 PolarHBondContact N-O 3.01Å; V653-L711 VanDerWaalsContact N-O 3.15Å; V678-L711 HydrophobicContact CG1-CD2 4.32Å; I680-L711 HydrophobicContact CG2-CD2 3.95Å; L711-F796 HydrophobicContact CD1-CD1 3.76Å; L711-F796 HydrophobicContact CD1-CE1 3.61Å; L711-L808 HydrophobicContact CB-CD2 4.47Å; L711-L808 HydrophobicContact CD1-CD2 4.13Å; L711-L808 HydrophobicContact CD1-CG 4.41Å; L711-L808 PolarHBondContact N-O 2.92Å; L711-T810 HydrophobicContact CD1-CG2 3.92Å; L711-T810 HydrophobicContact CD2-CG2 3.86Å; L711-T810 HydrophobicContact CG-CG2 3.87Å; L711-V844 HydrophobicContact CD1-CG2 4.11Å
712	A	80.8	Confident	69.2	Low	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	154.2	-173.3	0	0	0	0	0	112.2	V650 E651 L676 L808 I842	V650-A712 HydrophobicContact CG1-CB 3.71Å; E651-A712 CarbonylContact O-C 3.49Å; E651-A712 VanDerWaalsContact O-CA 3.29Å; E651-A712 WeakPolarHBondContact O-CA 3.44Å; L676-A712 HydrophobicContact CD2-CB 4.34Å; A712-L808 PolarHBondContact O-N 3.18Å; A712-I842 HydrophobicContact CB-CD1 4.46Å
713	F	78.4	Confident	71.8	Confident	23 Å²	23	48.2 Å²	48.2	10%	0.101	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	144.2	162.2	-63.9	-76	0	0	0	109.6	L236 F299 V650 E651 V653 L710 I801	L236-F713 HydrophobicContact CD1-CZ 4.01Å; L236-F713 HydrophobicContact CD2-CD2 4.28Å; L236-F713 HydrophobicContact CD2-CE2 3.45Å; L236-F713 VanDerWaalsContact CD2-CE2 3.45Å; L236-F713 HydrophobicContact CD2-CZ 3.77Å; F299-F713 HydrophobicContact CE2-CE1 4.16Å; F299-F713 AromaticContact CZ-CD1 3.94Å; F299-F713 HydrophobicContact CZ-CD1 3.94Å; F299-F713 AromaticContact CZ-CE1 3.81Å; F299-F713 HydrophobicContact CZ-CE1 3.81Å; F299-F713 HydrophobicContact CZ-CZ 4.47Å; V650-F713 WeakPolarHBondContact CA-O 3.27Å; E651-F713 PolarHBondContact N-O 3.22Å; E651-F713 PolarHBondContact O-N 3.32Å; V653-F713 HydrophobicContact CG2-CD2 4.32Å; V653-F713 HydrophobicContact CG2-CE2 4.13Å; L710-F713 HydrophobicContact CD2-CE1 3.96Å; L710-F713 HydrophobicContact CD2-CE2 3.89Å; L710-F713 HydrophobicContact CD2-CZ 3.48Å; L710-F713 VanDerWaalsContact CD2-CZ 3.48Å; F713-I801 HydrophobicContact CD1-CD1 4.22Å; F713-I801 HydrophobicContact CE1-CD1 4.39Å
714	I	83.8	Confident	74	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.1	178.5	-54.7	74.6	0	0	0	108	I648 T649 V650 V716 L798 N805 Y806 L808 I826	I648-I714 HydrophobicContact CG2-CG2 3.73Å; T649-I714 WeakPolarHBondContact O-CA 3.45Å; V650-I714 HydrophobicContact CG1-CG1 4.42Å; V650-I714 HydrophobicContact CG2-CG1 4.41Å; I714-V716 HydrophobicContact CG2-CG2 3.76Å; I714-L798 HydrophobicContact CD1-CD1 3.94Å; I714-L798 HydrophobicContact CG1-CD1 4.47Å; I714-N805 WeakPolarHBondContact O-CA 3.45Å; I714-Y806 PolarHBondContact N-O 2.91Å; I714-Y806 PolarHBondContact O-N 2.81Å; I714-L808 HydrophobicContact CD1-CB 3.81Å; I714-I826 HydrophobicContact CD1-CD1 4.27Å; I714-I826 HydrophobicContact CG1-CD1 3.69Å
715	V	83.5	Confident	76.3	Confident	30 Å²	30	41 Å²	41	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.4	170	-174.9	0	0	0	0	107.3	T649 L804	T649-V715 PolarHBondContact N-O 2.64Å; T649-V715 PolarHBondContact O-N 2.93Å; V715-L804 WeakPolarHBondContact CA-O 3.41Å
716	V	83.5	Confident	78.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128	179.7	-172.7	0	0	0	0	108.6	P646 Q647 I648 I714 F727 L804 Y806 C828	P646-V716 HydrophobicContact CB-CG1 4.04Å; Q647-V716 WeakPolarHBondContact O-CA 3.17Å; I648-V716 HydrophobicContact CG1-CG2 4.32Å; I714-V716 HydrophobicContact CG2-CG2 3.76Å; V716-F727 HydrophobicContact CB-CD2 4.31Å; V716-F727 HydrophobicContact CB-CE1 4.45Å; V716-F727 HydrophobicContact CB-CE2 3.55Å; V716-F727 HydrophobicContact CB-CZ 3.63Å; V716-F727 HydrophobicContact CG1-CD1 4.28Å; V716-F727 HydrophobicContact CG1-CD2 3.79Å; V716-F727 HydrophobicContact CG1-CE1 4Å; V716-F727 HydrophobicContact CG1-CE2 3.49Å; V716-F727 VanDerWaalsContact CG1-CE2 3.49Å; V716-F727 HydrophobicContact CG1-CG 4.18Å; V716-F727 HydrophobicContact CG1-CZ 3.6Å; V716-F727 HydrophobicContact CG2-CE2 4.44Å; V716-F727 WeakPolarHBondContact O-CZ 3.43Å; V716-L804 PolarHBondContact N-O 3.5Å; V716-Y806 HydrophobicContact CG2-CD2 4.48Å; V716-Y806 HydrophobicContact CG2-CE2 4.46Å; V716-C828 HydrophobicContact CG1-CB 4.38Å
717	N	85.3	Confident	80.7	Confident	64 Å²	64	34.8 Å²	34.8	34%	0.342	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.1	179.8	179.2	89.4	0	0	0	109.9	Q647	Q647-N717 WeakPolarHBondContact CB-O 3.39Å; Q647-N717 PolarHBondContact N-O 3.24Å; Q647-N717 PolarHBondContact O-N 3.23Å; Q647-N717 VanDerWaalsContact O-N 3.11Å
718	D	87.3	Confident	82.4	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.027	23%	0.225	C	C	.	.			trans	-125.5	124.4	176.1	-157.2	-56.8	0	0	0	107.3	P646 D720 F727	P646-D718 WeakPolarHBondContact CA-OD2 3.43Å; P646-D718 WeakPolarHBondContact CB-OD2 3.45Å; P646-D718 VanDerWaalsContact CD-OD2 3.3Å; P646-D718 WeakPolarHBondContact CD-OD2 3.48Å; P646-D718 WeakPolarHBondContact CG-OD2 3.4Å; D718-D720 PolarHBondContact OD1-N 2.68Å; D718-F727 HydrophobicContact CB-CD1 3.63Å; D718-F727 HydrophobicContact CB-CE1 3.91Å
719	P	85.8	Confident	83.7	Confident	34 Å²	34	34.6 Å²	34.6	22%	0.221	21%	0.208	C	C	.	.			trans	-90.6	-18	-172.4	38	-35.1	0	0	0	113.3	E609 V644	E609-P719 HydrophobicContact CG-CB 3.94Å; E609-P719 HydrophobicContact CG-CG 3.89Å; V644-P719 HydrophobicContact CB-CG 3.95Å; V644-P719 HydrophobicContact CG1-CG 3.94Å; V644-P719 HydrophobicContact CG2-CG 4.04Å
720	D	87.7	Confident	84.6	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.027	21%	0.208	C	C	.	.	S	Bend	trans	-64.3	173.4	177.6	-59.7	21.5	0	0	0	109.7	N642 D643 V644 D718 G725	N642-D720 VanDerWaalsContact CA-OD2 3.26Å; N642-D720 WeakPolarHBondContact CA-OD2 3.33Å; D643-D720 PolarHBondContact N-OD2 3.16Å; D643-D720 VanDerWaalsContact N-OD2 3.15Å; V644-D720 VanDerWaalsContact CB-OD1 3.24Å; V644-D720 WeakPolarHBondContact CB-OD1 3.1Å; V644-D720 WeakPolarHBondContact CG2-OD1 3.21Å; V644-D720 PolarHBondContact N-OD2 3.32Å; D718-D720 PolarHBondContact OD1-N 2.68Å; D720-G725 WeakPolarHBondContact O-CA 3.48Å; D720-G725 PolarHBondContact O-N 3.26Å
721	T	84.4	Confident	85.3	Confident	57 Å²	57	33.4 Å²	33.4	35%	0.35	20%	0.199	S	C	.	.			trans	-130.3	171.6	-175.1	70.3	0	0	0	0	113.3	Y608 D640 G724	Y608-T721 HydrophobicContact CE1-CG2 3.82Å; Y608-T721 PolarHBondContact OH-OG1 2.81Å; D640-T721 WeakPolarHBondContact OD2-CA 3.25Å; D640-T721 VanDerWaalsContact OD2-CB 3.32Å; D640-T721 WeakPolarHBondContact OD2-CB 3.15Å; D640-T721 PolarHBondContact OD2-N 3.36Å; D640-T721 PolarHBondContact OD2-OG1 3Å; T721-G724 PolarHBondContact O-N 3.2Å; T721-G724 VanDerWaalsContact O-N 3.15Å
722	G	83.9	Confident	85.5	Confident	53 Å²	53	36.2 Å²	36.2	55%	0.546	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-128.9	-172.9	0	0	0	0	0	110.7	G724 T726	G722-G724 VanDerWaalsContact C-N 3.32Å; G722-G724 PolarHBondContact O-N 2.98Å; G722-T726 WeakPolarHBondContact O-CG2 3.49Å
723	P	86.4	Confident	85.6	Confident	81 Å²	81	38.6 Å²	38.6	53%	0.526	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.1	177.4	-21.4	34	0	0	0	115.3	T726 N831	P723-T726 WeakPolarHBondContact CA-OG1 3.26Å; P723-T726 PolarHBondContact O-N 3.33Å; P723-T726 VanDerWaalsContact O-O 3.04Å; P723-T726 PolarHBondContact O-OG1 2.92Å; P723-N831 HydrophobicContact CB-CB 4.09Å; P723-N831 VanDerWaalsContact CB-O 3.24Å; P723-N831 WeakPolarHBondContact CB-O 3.39Å; P723-N831 CarbonylContact O-C 3.45Å; P723-N831 WeakPolarHBondContact O-CA 3.41Å; P723-N831 WeakPolarHBondContact O-CB 3.22Å; P723-N831 PolarHBondContact O-N 3.11Å
724	G	82.2	Confident	85.5	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.021	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-58.4	-179.4	0	0	0	0	0	111.8	N642 T721 G722 T726 D830	N642-G724 WeakPolarHBondContact OD1-CA 3.08Å; T721-G724 PolarHBondContact O-N 3.2Å; T721-G724 VanDerWaalsContact O-N 3.15Å; G722-G724 VanDerWaalsContact C-N 3.32Å; G722-G724 PolarHBondContact O-N 2.98Å; G724-T726 PolarHBondContact O-N 3.03Å; G724-D830 VanDerWaalsContact O-CB 3.28Å; G724-D830 WeakPolarHBondContact O-CB 3.47Å
725	G	81	Confident	84.3	Confident	26 Å²	26	42.7 Å²	42.7	27%	0.268	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	6.6	173	0	0	0	0	0	116.5	D720	D720-G725 WeakPolarHBondContact O-CA 3.48Å; D720-G725 PolarHBondContact O-N 3.26Å
726	T	86.8	Confident	82.7	Confident	70 Å²	70	47.8 Å²	47.8	43%	0.429	28%	0.278	S	S	.	.			trans	-118.1	115.8	172.1	59.9	0	0	0	0	110.3	G722 P723 G724 D830 N831	G722-T726 WeakPolarHBondContact O-CG2 3.49Å; P723-T726 WeakPolarHBondContact CA-OG1 3.26Å; P723-T726 PolarHBondContact O-N 3.33Å; P723-T726 VanDerWaalsContact O-O 3.04Å; P723-T726 PolarHBondContact O-OG1 2.92Å; G724-T726 PolarHBondContact O-N 3.03Å; T726-D830 CarbonylContact O-C 3.57Å; T726-D830 WeakPolarHBondContact O-CA 3.48Å; T726-N831 PolarHBondContact O-N 2.89Å; T726-N831 PolarHBondContact O-ND2 2.85Å; T726-N831 PolarHBondContact OG1-ND2 3.24Å
727	F	88.2	Confident	81	Confident	27 Å²	27	52.2 Å²	52.2	12%	0.118	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	158.9	-177.3	54.8	-95	0	0	0	112.9	P646 V716 D718 N803 L804 Y806 S829	P646-F727 HydrophobicContact CB-CB 4.2Å; P646-F727 HydrophobicContact CB-CD1 4.44Å; P646-F727 HydrophobicContact CB-CG 4.31Å; P646-F727 HydrophobicContact CG-CB 3.94Å; V716-F727 HydrophobicContact CB-CD2 4.31Å; V716-F727 HydrophobicContact CB-CE1 4.45Å; V716-F727 HydrophobicContact CB-CE2 3.55Å; V716-F727 HydrophobicContact CB-CZ 3.63Å; V716-F727 HydrophobicContact CG1-CD1 4.28Å; V716-F727 HydrophobicContact CG1-CD2 3.79Å; V716-F727 HydrophobicContact CG1-CE1 4Å; V716-F727 HydrophobicContact CG1-CE2 3.49Å; V716-F727 VanDerWaalsContact CG1-CE2 3.49Å; V716-F727 HydrophobicContact CG1-CG 4.18Å; V716-F727 HydrophobicContact CG1-CZ 3.6Å; V716-F727 HydrophobicContact CG2-CE2 4.44Å; V716-F727 WeakPolarHBondContact O-CZ 3.43Å; D718-F727 HydrophobicContact CB-CD1 3.63Å; D718-F727 HydrophobicContact CB-CE1 3.91Å; F727-N803 WeakPolarHBondContact CE2-O 3.27Å; F727-L804 HydrophobicContact CE1-CD2 4.04Å; F727-L804 HydrophobicContact CZ-CD2 3.75Å; F727-Y806 HydrophobicContact CE2-CE2 4.28Å; F727-S829 CarbonylContact C-O 3.49Å; F727-S829 WeakPolarHBondContact CA-O 3.45Å; F727-S829 VanDerWaalsContact CB-O 3.22Å; F727-S829 WeakPolarHBondContact CB-O 3.36Å
728	Q	87.9	Confident	78.7	Confident	121 Å²	121	52.2 Å²	52.2	57%	0.565	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.1	167.5	-177.7	174.3	-3.5	0	0	109.8	C828 S829	Q728-C828 WeakPolarHBondContact O-CA 3.41Å; Q728-S829 PolarHBondContact N-O 3.16Å; Q728-S829 PolarHBondContact O-N 3.3Å
729	C	91.6	Very high	76.5	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.8	176.5	-60.7	0	0	0	0	112	L798 Y806 V827 C828	C729-L798 HydrophobicContact CB-CD2 4.22Å; C729-Y806 HydrophobicContact CB-CE1 4.08Å; C729-Y806 HydrophobicContact CB-CE2 4.26Å; C729-V827 CarbonylContact C-O 3.28Å; C729-V827 VanDerWaalsContact CA-O 3.28Å; C729-V827 WeakPolarHBondContact CA-O 3.49Å; C729-C828 HydrophobicContact CB-CB 4.18Å; C729-C828 WeakPolarHBondContact CB-SG 3.28Å; C729-C828 WeakPolarHBondContact SG-CB 3.1Å; C729-C828 CovalentContact SG-SG 2.04Å; C729-C828 PolarHBondContact SG-SG 3.32Å
730	Y	90.7	Very high	74.4	Confident	79 Å²	79	64.5 Å²	64.5	31%	0.31	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	174.4	178.9	57.6	-83.4	0	0	0	111	E732 V827	Y730-E732 HydrophobicContact CD2-CG 4.1Å; Y730-E732 HydrophobicContact CE2-CG 3.73Å; Y730-V827 HydrophobicContact CD2-CB 4.36Å; Y730-V827 HydrophobicContact CE1-CB 4.24Å; Y730-V827 HydrophobicContact CE1-CG1 4.06Å; Y730-V827 HydrophobicContact CE2-CB 3.95Å; Y730-V827 HydrophobicContact CE2-CG1 4.22Å; Y730-V827 HydrophobicContact CE2-CG2 4.45Å; Y730-V827 PolarHBondContact N-O 3.41Å; Y730-V827 PolarHBondContact O-N 3.15Å
731	L	91.3	Very high	71.8	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.042	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.7	176.1	-60.2	-179	0	0	0	110.6	S791 V793 F796 L798 L808 V824 K825 I826	L731-S791 WeakPolarHBondContact CD1-O 3.15Å; L731-S791 PolarHBondContact N-OG 3.06Å; L731-V793 HydrophobicContact CB-CB 3.9Å; L731-V793 HydrophobicContact CB-CG2 3.72Å; L731-V793 VanDerWaalsContact O-CG2 3.32Å; L731-V793 WeakPolarHBondContact O-CG2 3.35Å; L731-F796 HydrophobicContact CD1-CB 3.91Å; L731-L798 HydrophobicContact CD1-CB 3.98Å; L731-L798 HydrophobicContact CD2-CB 4.04Å; L731-L798 HydrophobicContact CD2-CD2 4.32Å; L731-L798 HydrophobicContact CG-CB 3.84Å; L731-L808 HydrophobicContact CD1-CD1 3.94Å; L731-L808 HydrophobicContact CD2-CD1 4.06Å; L731-V824 HydrophobicContact CB-CG2 3.93Å; L731-V824 HydrophobicContact CD1-CG2 4.19Å; L731-V824 HydrophobicContact CD2-CG2 4.03Å; L731-V824 HydrophobicContact CG-CG2 4.27Å; L731-K825 CarbonylContact C-O 3.59Å; L731-K825 WeakPolarHBondContact CA-O 3.48Å; L731-I826 HydrophobicContact CD2-CB 4.49Å; L731-I826 HydrophobicContact CD2-CG1 3.76Å
732	E	85.9	Confident	69.7	Low	65 Å²	65	77.3 Å²	77.3	30%	0.304	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.1	168.8	-70.5	-165.1	141.2	0	0	111.1	Y730 N734 K825 V827	Y730-E732 HydrophobicContact CD2-CG 4.1Å; Y730-E732 HydrophobicContact CE2-CG 3.73Å; E732-N734 PolarHBondContact O-N 3.02Å; E732-K825 HydrophobicContact CB-CB 4.28Å; E732-K825 HydrophobicContact CB-CD 4.32Å; E732-K825 PolarHBondContact N-O 3.37Å; E732-K825 PolarHBondContact O-N 2.92Å; E732-K825 WeakPolarHBondContact OE2-CD 3.3Å; E732-K825 WeakPolarHBondContact OE2-CE 3.17Å; E732-K825 IonicContact OE2-NZ 3.31Å; E732-K825 PolarHBondContact OE2-NZ 2.83Å; E732-V827 HydrophobicContact CB-CG2 4.27Å; E732-V827 HydrophobicContact CG-CG2 3.8Å
733	P	82.7	Confident	67.3	Low	50 Å²	50	78.1 Å²	78.1	33%	0.325	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.8	166.4	-19.7	32	0	0	0	111.7	T735 L744 V793	P733-T735 HydrophobicContact CB-CG2 4.45Å; P733-T735 PolarHBondContact O-N 2.81Å; P733-L744 HydrophobicContact CB-CD1 3.98Å; P733-L744 HydrophobicContact CG-CD1 3.89Å; P733-V793 HydrophobicContact CG-CG1 3.95Å
734	N	75.3	Confident	65.1	Low	23 Å²	23	78.7 Å²	78.7	12%	0.123	43%	0.429	C	S	.	.			trans	-83.6	90	171	178.1	39.3	0	0	0	110.6	E732 I736 S823 V841	E732-N734 PolarHBondContact O-N 3.02Å; N734-I736 PolarHBondContact O-N 2.92Å; N734-S823 WeakPolarHBondContact CB-OG 3.42Å; N734-S823 PolarHBondContact ND2-OG 2.86Å; N734-V841 HydrophobicContact CB-CG1 4.43Å
735	T	58.2	Low	62.9	Low	88 Å²	88	88.7 Å²	88.7	54%	0.54	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-74.3	-3.5	-175.3	55	0	0	0	0	115	P733 D737 S738	P733-T735 HydrophobicContact CB-CG2 4.45Å; P733-T735 PolarHBondContact O-N 2.81Å; T735-D737 PolarHBondContact O-N 2.99Å; T735-S738 VanDerWaalsContact O-CB 3.31Å; T735-S738 WeakPolarHBondContact O-CB 3.21Å; T735-S738 PolarHBondContact O-N 2.86Å; T735-S738 PolarHBondContact O-OG 2.87Å
736	I	51.6	Low	60.9	Low	137 Å²	137	89.6 Å²	89.6	70%	0.703	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-73.3	-25.3	-166.4	-62.5	177.1	0	0	0	113.3	N734 S738	N734-I736 PolarHBondContact O-N 2.92Å; I736-S738 PolarHBondContact O-N 2.86Å
737	D	46.7	Very low	58.3	Low	93 Å²	93	92.4 Å²	92.4	50%	0.497	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-79.3	5.7	178.1	-74.7	-12.9	0	0	0	113.8	T735 N739 K843	T735-D737 PolarHBondContact O-N 2.99Å; D737-N739 VanDerWaalsContact C-N 3.3Å; D737-N739 PolarHBondContact O-N 3.26Å; D737-K843 IonicContact OD2-NZ 3.27Å; D737-K843 PolarHBondContact OD2-NZ 2.91Å
738	S	37.8	Very low	55.6	Low	63 Å²	63	97 Å²	97	44%	0.441	50%	0.504	S	S	.	.			trans	-80.9	47.7	-169.5	63.1	0	0	0	0	116.6	T735 I736 N740	T735-S738 VanDerWaalsContact O-CB 3.31Å; T735-S738 WeakPolarHBondContact O-CB 3.21Å; T735-S738 PolarHBondContact O-N 2.86Å; T735-S738 PolarHBondContact O-OG 2.87Å; I736-S738 PolarHBondContact O-N 2.86Å; S738-N740 PolarHBondContact O-N 3.24Å
739	N	40.6	Very low	53.1	Low	164 Å²	164	100.3 Å²	100.3	88%	0.877	51%	0.513	S	S	*	.	S	Bend	trans	-77.8	7.6	164.4	-93.8	-30.1	0	0	0	113.7	D737	D737-N739 VanDerWaalsContact C-N 3.3Å; D737-N739 PolarHBondContact O-N 3.26Å
740	N	40.4	Very low	50.1	Low	133 Å²	133	103.9 Å²	103.9	71%	0.711	54%	0.535	S	S	*	.	S	Bend	trans	-136.8	143.5	167.3	-82.2	-56.1	0	0	0	109.5	S738 K742	S738-N740 PolarHBondContact O-N 3.24Å; N740-K742 PolarHBondContact O-N 2.77Å
741	N	34.3	Very low	47.1	Very low	179 Å²	179	104.4 Å²	104.4	96%	0.957	55%	0.55	S	S	*	.	S	Bend	trans	-75.6	58	179.4	-68.5	-24.4	0	0	0	112.5
742	K	40.7	Very low	44.1	Very low	152 Å²	152	108.8 Å²	108.8	66%	0.661	58%	0.581	S	S	*	*			trans	-122.6	6.6	177.9	-142.4	-168.1	-178.8	-158.6	0	113.3	N740 L744 M818	N740-K742 PolarHBondContact O-N 2.77Å; K742-L744 PolarHBondContact O-N 2.89Å; K742-M818 PolarHBondContact NZ-O 2.93Å
743	A	33.6	Very low	41.4	Very low	70 Å²	70	113.5 Å²	113.5	58%	0.579	61%	0.608	S	S	*	*	S	Bend	trans	-65.5	128.8	178.2	0	0	0	0	0	111.6
744	L	39.2	Very low	38.9	Very low	93 Å²	93	117.2 Å²	117.2	49%	0.487	62%	0.624	S	S	.	*			trans	51.6	81.1	171.9	-67.6	172.3	0	0	0	116.1	P733 K742 S746	P733-L744 HydrophobicContact CB-CD1 3.98Å; P733-L744 HydrophobicContact CG-CD1 3.89Å; K742-L744 PolarHBondContact O-N 2.89Å; L744-S746 PolarHBondContact O-N 2.88Å
745	R	36.7	Very low	36.6	Very low	213 Å²	213	125 Å²	125	80%	0.804	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-72.9	30.3	154.6	-96.4	-169	171.5	-158	-2.3	113.3	N747	R745-N747 PolarHBondContact O-N 2.82Å
746	S	38.3	Very low	35.3	Very low	45 Å²	45	129.1 Å²	129.1	32%	0.315	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-62.4	-27	174.3	50.3	0	0	0	0	112.9	L744 M748 Y749 T750	L744-S746 PolarHBondContact O-N 2.88Å; S746-M748 PolarHBondContact O-N 3.46Å; S746-M748 VanDerWaalsContact O-N 3.08Å; S746-Y749 PolarHBondContact O-N 3.06Å; S746-T750 PolarHBondContact O-N 3.07Å; S746-T750 PolarHBondContact O-OG1 2.68Å
747	N	32	Very low	34.3	Very low	128 Å²	128	132 Å²	132	68%	0.684	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-80.9	21.6	-175.6	-62.6	20.1	0	0	0	113.7	R745	R745-N747 PolarHBondContact O-N 2.82Å
748	M	31.2	Very low	33.4	Very low	123 Å²	123	133.6 Å²	133.6	61%	0.606	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-123.6	-5.4	168.8	-124.1	-178.2	79.5	0	0	114.1	S746	S746-M748 PolarHBondContact O-N 3.46Å; S746-M748 VanDerWaalsContact O-N 3.08Å
749	Y	35.5	Very low	32.9	Very low	192 Å²	192	139.3 Å²	139.3	75%	0.753	71%	0.71	S	S	*	*	S	Bend	trans	-118.1	10	170.3	-74.7	-73.8	0	0	0	112.8	S746	S746-Y749 PolarHBondContact O-N 3.06Å
750	T	29.6	Very low	32.3	Very low	83 Å²	83	142.3 Å²	142.3	51%	0.509	71%	0.711	S	S	.	*	S	Bend	trans	-117.7	22	178.1	48.4	0	0	0	0	112.8	S746	S746-T750 PolarHBondContact O-N 3.07Å; S746-T750 PolarHBondContact O-OG1 2.68Å
751	S	27.3	Very low	31.8	Very low	90 Å²	90	141.8 Å²	141.8	63%	0.629	71%	0.708	S	S	*	*	S	Bend	trans	-154.2	43.7	-175.5	66.6	0	0	0	0	114.8
752	S	27.9	Very low	31.3	Very low	100 Å²	100	137 Å²	137	70%	0.699	69%	0.688	S	S	*	*	S	Bend	trans	-155.5	-6.4	169.1	67.6	0	0	0	0	116.4
753	L	29.1	Very low	30.7	Very low	164 Å²	164	136.3 Å²	136.3	86%	0.859	69%	0.691	S	S	*	*	S	Bend	trans	-134.6	50.6	174.5	-74.4	174	0	0	0	110.7
754	I	30	Very low	30.4	Very low	129 Å²	129	138.6 Å²	138.6	66%	0.662	69%	0.694	S	S	*	*			trans	-132.5	54.3	168.2	-44.8	179.9	0	0	0	109.1
755	E	28.7	Very low	29.8	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	71%	0.71	S	S	*	*	S	Bend	trans	-136.8	135.1	157.8	-102.5	165.2	-159.2	0	0	106.3
756	E	29.6	Very low	29.4	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	71%	0.705	S	S	*	*	S	Bend	trans	56.8	72.4	-179.2	-55.3	-165.3	167.7	0	0	118
757	H	30.7	Very low	28.8	Very low	196 Å²	196	139.4 Å²	139.4	91%	0.907	73%	0.726	S	S	*	*				-166.3	97.5	126	-105.6	66	0	0	0	110.8	H759	H757-H759 PolarHBondContact O-N 2.8Å
758	N	28.5	Very low	28.7	Very low	128 Å²	128	141.3 Å²	141.3	68%	0.684	74%	0.735	S	S	*	*			trans	-85.3	104	-176.5	-77.7	-34.6	0	0	0	112.3
759	H	26.5	Very low	28.4	Very low	183 Å²	183	141 Å²	141	85%	0.847	74%	0.74	S	S	*	*	S	Bend	trans	-177.3	72.3	138.3	-105.2	-70.4	0	0	0	113.3	H757	H757-H759 PolarHBondContact O-N 2.8Å
760	Y	28.8	Very low	28	Very low	226 Å²	226	136.9 Å²	136.9	89%	0.886	74%	0.74	S	S	*	*	S	Bend	trans	175.9	85.4	141.7	-109.3	-76.9	0	0	0	107.7
761	L	29.5	Very low	28	Very low	123 Å²	123	138.7 Å²	138.7	64%	0.644	75%	0.75	S	S	*	*			trans	-108.5	142.9	-169.8	-77.1	168.6	0	0	0	112.8
762	S	25.1	Very low	28	Very low	79 Å²	79	139.3 Å²	139.3	55%	0.552	76%	0.755	S	S	*	*			trans	43.2	107.3	148.1	-171.4	0	0	0	0	118.5	N764	S762-N764 PolarHBondContact OG-OD1 2.98Å
763	L	28.1	Very low	28.1	Very low	136 Å²	136	140.2 Å²	140.2	71%	0.712	76%	0.757	S	S	*	*			trans	-109.6	101.5	135.5	-73.6	-178.5	0	0	0	108.5	Q789	L763-Q789 VanDerWaalsContact CD1-OE1 3.26Å
764	N	27	Very low	28.2	Very low	119 Å²	119	138.1 Å²	138.1	64%	0.636	75%	0.751	S	S	*	*			trans	-64.8	133.6	168.6	-72.3	-31.7	0	0	0	109.4	S762 T766	S762-N764 PolarHBondContact OG-OD1 2.98Å; N764-T766 VanDerWaalsContact C-N 3.27Å; N764-T766 PolarHBondContact O-N 3.48Å; N764-T766 PolarHBondContact O-OG1 3.08Å
765	P	25.6	Very low	28.1	Very low	128 Å²	128	137 Å²	137	83%	0.831	75%	0.754	S	S	*	*			trans	-68.3	88.4	171.9	29	-33.7	0	0	0	108.9	T767	P765-T767 PolarHBondContact O-N 3.28Å
766	T	29.4	Very low	28.1	Very low	113 Å²	113	133.6 Å²	133.6	69%	0.693	75%	0.746	S	S	*	*			trans	-84.4	114.8	-168.8	-38.9	0	0	0	0	109	N764 I768	N764-T766 VanDerWaalsContact C-N 3.27Å; N764-T766 PolarHBondContact O-N 3.48Å; N764-T766 PolarHBondContact O-OG1 3.08Å; T766-I768 PolarHBondContact O-N 3.17Å
767	T	26	Very low	28.2	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	74%	0.74	S	S	*	*			trans	-66.4	87.9	-174.2	33.4	0	0	0	0	113.1	P765 T769	P765-T767 PolarHBondContact O-N 3.28Å; T767-T769 VanDerWaalsContact C-N 3.28Å; T767-T769 PolarHBondContact O-N 3.24Å
768	I	27.9	Very low	28.2	Very low	169 Å²	169	126.6 Å²	126.6	87%	0.867	73%	0.734	S	S	*	*			trans	-76.8	82.9	169.7	-53.1	-177.4	0	0	0	109.6	T766	T766-I768 PolarHBondContact O-N 3.17Å
769	T	25.7	Very low	28.4	Very low	115 Å²	115	125.3 Å²	125.3	71%	0.706	74%	0.735	S	S	*	*			trans	-101.4	161.9	159	39.5	0	0	0	0	109.8	T767	T767-T769 VanDerWaalsContact C-N 3.28Å; T767-T769 PolarHBondContact O-N 3.24Å
770	S	27.6	Very low	28.6	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	73%	0.733	S	S	*	*			trans	77.9	91.8	175.2	71.5	0	0	0	0	119.1
771	T	29.2	Very low	28.6	Very low	120 Å²	120	120 Å²	120	74%	0.736	73%	0.734	S	S	*	*				53.9	103.4	122.7	55.9	0	0	0	0	122.1
772	S	27.8	Very low	28.5	Very low	103 Å²	103	118.9 Å²	118.9	72%	0.72	74%	0.736	S	S	*	*				87.6	152.8	116.6	75.7	0	0	0	0	123.2
773	T	29.4	Very low	28.5	Very low	120 Å²	120	120 Å²	120	74%	0.736	74%	0.744	S	S	*	*			trans	77.9	105.6	161.1	40.9	0	0	0	0	121.8
774	T	31.1	Very low	28.4	Very low	120 Å²	120	120 Å²	120	74%	0.736	75%	0.75	S	S	*	*			trans	67.2	105.6	133.5	55.7	0	0	0	0	121.5
775	S	27.5	Very low	28.5	Very low	104 Å²	104	119.3 Å²	119.3	73%	0.727	75%	0.75	S	S	*	*				49.6	137.2	122	72.8	0	0	0	0	120.2
776	T	30	Very low	28.5	Very low	115 Å²	115	118.6 Å²	118.6	71%	0.706	76%	0.755	S	S	*	*			cis	-156.4	170	42.4	47.3	0	0	0	0	113.9
777	T	31.7	Very low	28.7	Very low	114 Å²	114	118.6 Å²	118.6	70%	0.699	75%	0.75	S	S	*	*			trans	61.9	111.1	144.1	50	0	0	0	0	120.9
778	S	30.1	Very low	29.3	Very low	111 Å²	111	115.5 Å²	115.5	78%	0.776	74%	0.744	S	S	*	*			trans	53.2	140.8	130.3	62.2	0	0	0	0	120.9
779	S	33.4	Very low	30.6	Very low	100 Å²	100	114 Å²	114	70%	0.699	73%	0.733	S	S	*	*			cis	-163.4	153.8	11.3	44.4	0	0	0	0	112.6
780	N	29.4	Very low	32.3	Very low	152 Å²	152	111.2 Å²	111.2	81%	0.813	72%	0.718	S	S	*	*			trans	20.3	113	147.3	-52.2	5.9	0	0	0	119.3
781	T	29.3	Very low	34.8	Very low	146 Å²	146	107.4 Å²	107.4	90%	0.896	69%	0.691	S	S	*	*				-153.2	143.2	123.3	20.4	0	0	0	0	111.7
782	S	27.8	Very low	37.3	Very low	100 Å²	100	106.1 Å²	106.1	70%	0.699	68%	0.679	S	S	*	*			trans	-59.7	152.6	-176.2	48.9	0	0	0	0	117.8
783	S	25	Very low	39.8	Very low	102 Å²	102	102.5 Å²	102.5	71%	0.713	65%	0.653	S	S	*	*			trans	59.3	114.3	139	64.8	0	0	0	0	121.4
784	T	26.4	Very low	42.3	Very low	135 Å²	135	99.1 Å²	99.1	83%	0.828	64%	0.641	S	S	*	*			trans	-159.5	129.7	130.3	15.9	0	0	0	0	112.3
785	T	27.5	Very low	44.7	Very low	106 Å²	106	95.6 Å²	95.6	65%	0.65	62%	0.617	S	S	*	*			trans	27.4	103	152.6	51.3	0	0	0	0	119.9	N787	T785-N787 VanDerWaalsContact C-N 3.3Å; T785-N787 WeakPolarHBondContact CB-OD1 3.48Å; T785-N787 PolarHBondContact O-N 3.47Å
786	A	26.2	Very low	47.6	Very low	112 Å²	112	90.9 Å²	90.9	93%	0.926	58%	0.583	S	S	*	*			trans	-75.8	80.3	155.6	0	0	0	0	0	110.3	G788	A786-G788 PolarHBondContact O-N 3.3Å
787	N	33	Very low	50.3	Low	113 Å²	113	87.2 Å²	87.2	60%	0.604	56%	0.559	S	S	*	*			trans	-77.9	116.4	173.3	-73.4	-4.8	0	0	0	109.3	T785 Q789	T785-N787 VanDerWaalsContact C-N 3.3Å; T785-N787 WeakPolarHBondContact CB-OD1 3.48Å; T785-N787 PolarHBondContact O-N 3.47Å; N787-Q789 PolarHBondContact O-N 3.27Å
788	G	40.2	Very low	53	Low	61 Å²	61	82 Å²	82	63%	0.629	53%	0.527	S	S	*	.			trans	-62.5	107.6	-178.9	0	0	0	0	0	112	A786	A786-G788 PolarHBondContact O-N 3.3Å
789	Q	53.4	Low	55.5	Low	138 Å²	138	77.9 Å²	77.9	65%	0.645	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-81.3	125.2	179	-65.6	-178.9	-76.5	0	0	110.6	L763 N787 S791	L763-Q789 VanDerWaalsContact CD1-OE1 3.26Å; N787-Q789 PolarHBondContact O-N 3.27Å; Q789-S791 PolarHBondContact O-N 2.8Å
790	S	62.7	Low	57.7	Low	56 Å²	56	75.6 Å²	75.6	39%	0.392	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.9	174.2	-57.1	0	0	0	0	111.4	L798 N799	S790-L798 WeakPolarHBondContact CA-O 3.03Å; S790-L798 WeakPolarHBondContact CB-O 2.92Å; S790-N799 VanDerWaalsContact CB-OD1 3.3Å; S790-N799 WeakPolarHBondContact CB-OD1 3.43Å; S790-N799 PolarHBondContact OG-OD1 3.07Å
791	S	79.7	Confident	59.7	Low	27 Å²	27	71.8 Å²	71.8	19%	0.189	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127	175.1	-173.8	0	0	0	0	109.8	L731 Q789 Q797 L798	L731-S791 WeakPolarHBondContact CD1-O 3.15Å; L731-S791 PolarHBondContact N-OG 3.06Å; Q789-S791 PolarHBondContact O-N 2.8Å; S791-Q797 WeakPolarHBondContact O-CA 3.13Å; S791-L798 PolarHBondContact N-O 3.08Å; S791-L798 VanDerWaalsContact N-O 3.1Å; S791-L798 PolarHBondContact O-N 2.93Å
792	I	81.8	Confident	61.7	Low	94 Å²	94	66.7 Å²	66.7	48%	0.482	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.8	-179.6	-54.8	-178.5	0	0	0	109.7	F796 Q797 I811	I792-F796 WeakPolarHBondContact CA-O 3.39Å; I792-Q797 HydrophobicContact CD1-CG 4.42Å; I792-Q797 HydrophobicContact CG1-CB 4.03Å; I792-Q797 HydrophobicContact CG1-CG 3.94Å; I792-I811 HydrophobicContact CG2-CD1 3.88Å
793	V	81.1	Confident	63.8	Low	27 Å²	27	67.7 Å²	67.7	16%	0.164	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	124.9	174.4	168.6	0	0	0	0	109.8	L731 P733 M795 F796 V824	L731-V793 HydrophobicContact CB-CB 3.9Å; L731-V793 HydrophobicContact CB-CG2 3.72Å; L731-V793 VanDerWaalsContact O-CG2 3.32Å; L731-V793 WeakPolarHBondContact O-CG2 3.35Å; P733-V793 HydrophobicContact CG-CG1 3.95Å; V793-M795 PolarHBondContact O-N 2.84Å; V793-M795 VanDerWaalsContact O-N 3.17Å; V793-F796 PolarHBondContact N-O 2.83Å; V793-F796 WeakPolarHBondContact O-CB 3.46Å; V793-F796 PolarHBondContact O-N 3.38Å; V793-V824 HydrophobicContact CB-CG2 4.37Å; V793-V824 HydrophobicContact CG1-CG2 4.29Å
794	G	80.2	Confident	66.3	Low	48 Å²	48	65.5 Å²	65.5	50%	0.495	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-117.5	-177.6	0	0	0	0	0	110.9
795	M	81.6	Confident	68.8	Low	46 Å²	46	61.3 Å²	61.3	23%	0.227	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8	179.5	-53.3	178.2	81.6	0	0	112.6	V793 T810 I811 G813 F814	V793-M795 PolarHBondContact O-N 2.84Å; V793-M795 VanDerWaalsContact O-N 3.17Å; M795-T810 WeakPolarHBondContact O-CA 3.32Å; M795-I811 WeakPolarHBondContact O-CG1 3.19Å; M795-I811 PolarHBondContact O-N 2.98Å; M795-G813 WeakPolarHBondContact CE-O 3.38Å; M795-F814 HydrophobicContact CB-CE1 4.18Å; M795-F814 HydrophobicContact CB-CZ 4.1Å; M795-F814 HydrophobicContact SD-CD1 3.89Å; M795-F814 HydrophobicContact SD-CE1 3.93Å
796	F	88.3	Confident	71.5	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.022	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.4	-173.1	-57.9	-88.8	0	0	0	112	L711 L731 I792 V793 L808 F814 E822 V824 V844	L711-F796 HydrophobicContact CD1-CD1 3.76Å; L711-F796 HydrophobicContact CD1-CE1 3.61Å; L731-F796 HydrophobicContact CD1-CB 3.91Å; I792-F796 WeakPolarHBondContact CA-O 3.39Å; V793-F796 PolarHBondContact N-O 2.83Å; V793-F796 WeakPolarHBondContact O-CB 3.46Å; V793-F796 PolarHBondContact O-N 3.38Å; F796-L808 HydrophobicContact CB-CD1 4.16Å; F796-L808 HydrophobicContact CD1-CD2 4.23Å; F796-F814 HydrophobicContact CE1-CZ 4.01Å; F796-F814 HydrophobicContact CE2-CE1 4.47Å; F796-F814 HydrophobicContact CE2-CZ 4.28Å; F796-F814 HydrophobicContact CZ-CE1 4.18Å; F796-F814 AromaticContact CZ-CZ 3.76Å; F796-F814 HydrophobicContact CZ-CZ 3.76Å; F796-E822 HydrophobicContact CE2-CB 4.24Å; F796-E822 HydrophobicContact CZ-CB 4.2Å; F796-V824 HydrophobicContact CB-CG1 4.32Å; F796-V824 HydrophobicContact CB-CG2 4.41Å; F796-V824 HydrophobicContact CD1-CB 4.46Å; F796-V824 HydrophobicContact CD1-CG1 3.78Å; F796-V824 HydrophobicContact CD2-CB 3.74Å; F796-V824 HydrophobicContact CD2-CG1 3.98Å; F796-V824 HydrophobicContact CD2-CG2 4.26Å; F796-V824 HydrophobicContact CE1-CG1 3.98Å; F796-V824 HydrophobicContact CE2-CB 3.97Å; F796-V824 HydrophobicContact CE2-CG1 4.19Å; F796-V824 HydrophobicContact CG-CB 4.01Å; F796-V824 HydrophobicContact CG-CG1 3.77Å; F796-V824 HydrophobicContact CG-CG2 4.4Å; F796-V824 HydrophobicContact CZ-CB 4.41Å; F796-V824 HydrophobicContact CZ-CG1 4.19Å; F796-V844 HydrophobicContact CE1-CG2 3.61Å; F796-V844 HydrophobicContact CZ-CB 4.43Å; F796-V844 HydrophobicContact CZ-CG2 3.76Å
797	Q	86.6	Confident	74.2	Confident	39 Å²	39	54.4 Å²	54.4	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	173.3	169.8	172.3	-18.7	0	0	110.5	S791 I792 N799 I809 I811	S791-Q797 WeakPolarHBondContact O-CA 3.13Å; I792-Q797 HydrophobicContact CD1-CG 4.42Å; I792-Q797 HydrophobicContact CG1-CB 4.03Å; I792-Q797 HydrophobicContact CG1-CG 3.94Å; Q797-N799 WeakPolarHBondContact CG-OD1 3.46Å; Q797-N799 PolarHBondContact NE2-OD1 2.79Å; Q797-I809 HydrophobicContact CB-CD1 4.43Å; Q797-I809 HydrophobicContact CB-CG1 3.88Å; Q797-I809 HydrophobicContact CG-CD1 4.33Å; Q797-I809 HydrophobicContact CG-CG1 4.15Å; Q797-I809 PolarHBondContact N-O 2.91Å; Q797-I809 PolarHBondContact O-N 3.04Å; Q797-I811 HydrophobicContact CB-CG2 3.56Å; Q797-I811 HydrophobicContact CG-CG2 4.42Å
798	L	89.1	Confident	76.8	Confident	5 Å²	5	49 Å²	49	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.3	174.4	-174.1	75.6	0	0	0	108.9	I714 C729 L731 S790 S791 Y806 E807 L808	I714-L798 HydrophobicContact CD1-CD1 3.94Å; I714-L798 HydrophobicContact CG1-CD1 4.47Å; C729-L798 HydrophobicContact CB-CD2 4.22Å; L731-L798 HydrophobicContact CD1-CB 3.98Å; L731-L798 HydrophobicContact CD2-CB 4.04Å; L731-L798 HydrophobicContact CD2-CD2 4.32Å; L731-L798 HydrophobicContact CG-CB 3.84Å; S790-L798 WeakPolarHBondContact CA-O 3.03Å; S790-L798 WeakPolarHBondContact CB-O 2.92Å; S791-L798 PolarHBondContact N-O 3.08Å; S791-L798 VanDerWaalsContact N-O 3.1Å; S791-L798 PolarHBondContact O-N 2.93Å; L798-Y806 HydrophobicContact CD1-CD1 4.48Å; L798-Y806 HydrophobicContact CD1-CG 4.43Å; L798-Y806 HydrophobicContact CD2-CD1 4.09Å; L798-Y806 HydrophobicContact CG-CD1 4.02Å; L798-Y806 HydrophobicContact CG-CG 4.46Å; L798-E807 WeakPolarHBondContact CA-O 3.39Å; L798-L808 HydrophobicContact CB-CD1 4.43Å; L798-L808 HydrophobicContact CD1-CD1 4.42Å
799	N	83.2	Confident	78.9	Confident	23 Å²	23	47.4 Å²	47.4	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.8	174.1	-56.3	-41	0	0	0	110.5	S790 Q797 Y806 E807	S790-N799 VanDerWaalsContact CB-OD1 3.3Å; S790-N799 WeakPolarHBondContact CB-OD1 3.43Å; S790-N799 PolarHBondContact OG-OD1 3.07Å; Q797-N799 WeakPolarHBondContact CG-OD1 3.46Å; Q797-N799 PolarHBondContact NE2-OD1 2.79Å; N799-Y806 CarbonylContact O-C 3.56Å; N799-Y806 WeakPolarHBondContact O-CA 3.35Å; N799-Y806 WeakPolarHBondContact O-CB 3.43Å; N799-E807 HydrophobicContact CB-CG 3.74Å; N799-E807 PolarHBondContact N-O 3.14Å; N799-E807 PolarHBondContact ND2-OE1 2.56Å; N799-E807 PolarHBondContact O-N 2.79Å
800	S	78.3	Confident	80.3	Confident	52 Å²	52	40.8 Å²	40.8	36%	0.364	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.5	168.4	165.4	0	0	0	0	110.2	S802	S800-S802 PolarHBondContact OG-O 3.49Å
801	I	72.7	Confident	80.8	Confident	72 Å²	72	39.7 Å²	39.7	37%	0.369	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-36	168.2	-59.4	157.3	0	0	0	109.6	F299 F713 N805 E807	F299-I801 HydrophobicContact CD2-CG2 4.24Å; F299-I801 HydrophobicContact CE2-CD1 3.88Å; F299-I801 HydrophobicContact CE2-CG2 4.14Å; F299-I801 HydrophobicContact CZ-CD1 4.18Å; F713-I801 HydrophobicContact CD1-CD1 4.22Å; F713-I801 HydrophobicContact CE1-CD1 4.39Å; I801-N805 WeakPolarHBondContact CA-O 2.83Å; I801-N805 HydrophobicContact CB-CB 4.33Å; I801-N805 WeakPolarHBondContact CB-O 3.05Å; I801-N805 PolarHBondContact N-O 2.04Å; I801-E807 HydrophobicContact CD1-CB 3.95Å; I801-E807 HydrophobicContact CD1-CG 4.14Å; I801-E807 HydrophobicContact CG1-CB 4.49Å; I801-E807 HydrophobicContact CG1-CG 4.14Å
802	S	71	Confident	80.5	Confident	40 Å²	40	44.2 Å²	44.2	28%	0.28	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	174.8	169.5	65.8	0	0	0	0	109	S800 L804 N805	S800-S802 PolarHBondContact OG-O 3.49Å; S802-L804 PolarHBondContact O-N 2.82Å; S802-L804 VanDerWaalsContact O-N 3.07Å; S802-N805 PolarHBondContact N-O 3.2Å; S802-N805 PolarHBondContact O-N 3.01Å; S802-N805 VanDerWaalsContact O-N 3.08Å; S802-N805 WeakPolarHBondContact OG-CB 3.41Å; S802-N805 PolarHBondContact OG-N 2.55Å; S802-N805 PolarHBondContact OG-ND2 3.41Å
803	N	72.3	Confident	79.9	Confident	120 Å²	120	40.2 Å²	40.2	64%	0.642	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45	-39.4	173.5	60.6	-31.8	0	0	0	114.8	F727	F727-N803 WeakPolarHBondContact CE2-O 3.27Å
804	L	77.7	Confident	79.8	Confident	57 Å²	57	39.1 Å²	39.1	30%	0.298	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-11.4	-178.1	-53.8	-178.3	0	0	0	114.6	V715 V716 F727 S802	V715-L804 WeakPolarHBondContact CA-O 3.41Å; V716-L804 PolarHBondContact N-O 3.5Å; F727-L804 HydrophobicContact CE1-CD2 4.04Å; F727-L804 HydrophobicContact CZ-CD2 3.75Å; S802-L804 PolarHBondContact O-N 2.82Å; S802-L804 VanDerWaalsContact O-N 3.07Å
805	N	77.8	Confident	80	Confident	47 Å²	47	39.4 Å²	39.4	25%	0.251	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129	-167.3	-59.5	-85.1	0	0	0	111.5	I714 I801 S802	I714-N805 WeakPolarHBondContact O-CA 3.45Å; I801-N805 WeakPolarHBondContact CA-O 2.83Å; I801-N805 HydrophobicContact CB-CB 4.33Å; I801-N805 WeakPolarHBondContact CB-O 3.05Å; I801-N805 PolarHBondContact N-O 2.04Å; S802-N805 PolarHBondContact N-O 3.2Å; S802-N805 PolarHBondContact O-N 3.01Å; S802-N805 VanDerWaalsContact O-N 3.08Å; S802-N805 WeakPolarHBondContact OG-CB 3.41Å; S802-N805 PolarHBondContact OG-N 2.55Å; S802-N805 PolarHBondContact OG-ND2 3.41Å
806	Y	85.3	Confident	80.3	Confident	24 Å²	24	39 Å²	39	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.4	179.5	-56.4	-108.5	0	0	0	111.1	I714 V716 F727 C729 L798 N799	I714-Y806 PolarHBondContact N-O 2.91Å; I714-Y806 PolarHBondContact O-N 2.81Å; V716-Y806 HydrophobicContact CG2-CD2 4.48Å; V716-Y806 HydrophobicContact CG2-CE2 4.46Å; F727-Y806 HydrophobicContact CE2-CE2 4.28Å; C729-Y806 HydrophobicContact CB-CE1 4.08Å; C729-Y806 HydrophobicContact CB-CE2 4.26Å; L798-Y806 HydrophobicContact CD1-CD1 4.48Å; L798-Y806 HydrophobicContact CD1-CG 4.43Å; L798-Y806 HydrophobicContact CD2-CD1 4.09Å; L798-Y806 HydrophobicContact CG-CD1 4.02Å; L798-Y806 HydrophobicContact CG-CG 4.46Å; N799-Y806 CarbonylContact O-C 3.56Å; N799-Y806 WeakPolarHBondContact O-CA 3.35Å; N799-Y806 WeakPolarHBondContact O-CB 3.43Å
807	E	82.3	Confident	80.2	Confident	49 Å²	49	41.5 Å²	41.5	23%	0.229	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.1	165.3	51.4	172	-147.1	0	0	110.4	L710 L798 N799 I801 I809	L710-E807 HydrophobicContact CD1-CB 3.57Å; L798-E807 WeakPolarHBondContact CA-O 3.39Å; N799-E807 HydrophobicContact CB-CG 3.74Å; N799-E807 PolarHBondContact N-O 3.14Å; N799-E807 PolarHBondContact ND2-OE1 2.56Å; N799-E807 PolarHBondContact O-N 2.79Å; I801-E807 HydrophobicContact CD1-CB 3.95Å; I801-E807 HydrophobicContact CD1-CG 4.14Å; I801-E807 HydrophobicContact CG1-CB 4.49Å; I801-E807 HydrophobicContact CG1-CG 4.14Å; E807-I809 HydrophobicContact CG-CG2 4.47Å
808	L	88.1	Confident	79.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.9	166.2	-175.4	72.9	0	0	0	109.5	L711 A712 I714 L731 F796 L798 V824 I842	L711-L808 HydrophobicContact CB-CD2 4.47Å; L711-L808 HydrophobicContact CD1-CD2 4.13Å; L711-L808 HydrophobicContact CD1-CG 4.41Å; L711-L808 PolarHBondContact N-O 2.92Å; A712-L808 PolarHBondContact O-N 3.18Å; I714-L808 HydrophobicContact CD1-CB 3.81Å; L731-L808 HydrophobicContact CD1-CD1 3.94Å; L731-L808 HydrophobicContact CD2-CD1 4.06Å; F796-L808 HydrophobicContact CB-CD1 4.16Å; F796-L808 HydrophobicContact CD1-CD2 4.23Å; L798-L808 HydrophobicContact CB-CD1 4.43Å; L798-L808 HydrophobicContact CD1-CD1 4.42Å; L808-V824 HydrophobicContact CD2-CG1 4.33Å; L808-I842 HydrophobicContact CD2-CB 4.5Å; L808-I842 HydrophobicContact CD2-CD1 3.46Å; L808-I842 VanDerWaalsContact CD2-CD1 3.46Å; L808-I842 HydrophobicContact CD2-CG2 4.3Å
809	I	83.2	Confident	79.5	Confident	26 Å²	26	45.8 Å²	45.8	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	160.7	175.4	67.5	171.4	0	0	0	111.3	Q709 L710 Q797 E807	Q709-I809 CarbonylContact O-C 3.52Å; Q709-I809 WeakPolarHBondContact O-CA 3.4Å; L710-I809 HydrophobicContact CB-CG2 4.47Å; L710-I809 HydrophobicContact CD1-CG2 3.79Å; Q797-I809 HydrophobicContact CB-CD1 4.43Å; Q797-I809 HydrophobicContact CB-CG1 3.88Å; Q797-I809 HydrophobicContact CG-CD1 4.33Å; Q797-I809 HydrophobicContact CG-CG1 4.15Å; Q797-I809 PolarHBondContact N-O 2.91Å; Q797-I809 PolarHBondContact O-N 3.04Å; E807-I809 HydrophobicContact CG-CG2 4.47Å
810	T	83	Confident	79.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	146.3	162.4	74.9	0	0	0	0	109.4	M707 T708 Q709 L711 M795 Y812 F814	M707-T810 PolarHBondContact O-OG1 3.01Å; M707-T810 VanDerWaalsContact O-OG1 3.05Å; T708-T810 WeakPolarHBondContact CA-O 3.43Å; Q709-T810 HydrophobicContact CB-CG2 4.15Å; Q709-T810 PolarHBondContact N-OG1 2.83Å; Q709-T810 PolarHBondContact O-N 2.88Å; L711-T810 HydrophobicContact CD1-CG2 3.92Å; L711-T810 HydrophobicContact CD2-CG2 3.86Å; L711-T810 HydrophobicContact CG-CG2 3.87Å; M795-T810 WeakPolarHBondContact O-CA 3.32Å; T810-Y812 VanDerWaalsContact CB-O 3.32Å; T810-Y812 WeakPolarHBondContact CB-O 3.32Å; T810-Y812 PolarHBondContact OG1-O 2.89Å; T810-F814 HydrophobicContact CG2-CE2 3.68Å
811	I	74	Confident	80	Confident	32 Å²	32	49.2 Å²	49.2	16%	0.164	25%	0.25	C	C	.	.	S	Bend	trans	-97.4	-28.3	171.2	52.7	163.7	0	0	0	112.7	I792 M795 Q797	I792-I811 HydrophobicContact CG2-CD1 3.88Å; M795-I811 WeakPolarHBondContact O-CG1 3.19Å; M795-I811 PolarHBondContact O-N 2.98Å; Q797-I811 HydrophobicContact CB-CG2 3.56Å; Q797-I811 HydrophobicContact CG-CG2 4.42Å
812	Y	72.2	Confident	80.5	Confident	122 Å²	122	49.1 Å²	49.1	48%	0.478	25%	0.247	S	C	.	.	S	Bend	trans	-130.2	156.3	170.3	-61.1	-71.9	0	0	0	107.6	M707 T810	M707-Y812 HydrophobicContact SD-CD1 4.36Å; T810-Y812 VanDerWaalsContact CB-O 3.32Å; T810-Y812 WeakPolarHBondContact CB-O 3.32Å; T810-Y812 PolarHBondContact OG1-O 2.89Å
813	G	69.5	Low	81.3	Confident	11 Å²	11	48.1 Å²	48.1	11%	0.113	24%	0.24	C	C	.	.			trans	-81.7	164.3	170.5	0	0	0	0	0	111.7	T683 M795	T683-G813 VanDerWaalsContact OG1-C 3.25Å; T683-G813 WeakPolarHBondContact OG1-CA 3.34Å; M795-G813 WeakPolarHBondContact CE-O 3.38Å
814	F	80.5	Confident	82	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.018	21%	0.21	C	C	.	.			trans	-93.3	167.3	-174.9	-63.4	-100.5	0	0	0	111.8	I680 E682 T683 M795 F796 T810 E822 V844 V846	I680-F814 HydrophobicContact CD1-CB 4.34Å; I680-F814 HydrophobicContact CD1-CD2 3.24Å; I680-F814 HydrophobicContact CD1-CE2 3.65Å; I680-F814 HydrophobicContact CD1-CG 3.95Å; E682-F814 WeakPolarHBondContact CB-O 3.27Å; T683-F814 PolarHBondContact N-O 2.92Å; T683-F814 PolarHBondContact OG1-O 3.15Å; M795-F814 HydrophobicContact CB-CE1 4.18Å; M795-F814 HydrophobicContact CB-CZ 4.1Å; M795-F814 HydrophobicContact SD-CD1 3.89Å; M795-F814 HydrophobicContact SD-CE1 3.93Å; F796-F814 HydrophobicContact CE1-CZ 4.01Å; F796-F814 HydrophobicContact CE2-CE1 4.47Å; F796-F814 HydrophobicContact CE2-CZ 4.28Å; F796-F814 HydrophobicContact CZ-CE1 4.18Å; F796-F814 AromaticContact CZ-CZ 3.76Å; F796-F814 HydrophobicContact CZ-CZ 3.76Å; T810-F814 HydrophobicContact CG2-CE2 3.68Å; F814-E822 HydrophobicContact CD1-CB 4.37Å; F814-E822 HydrophobicContact CD1-CG 4.08Å; F814-E822 HydrophobicContact CE1-CB 3.76Å; F814-E822 HydrophobicContact CE1-CG 3.81Å; F814-V844 HydrophobicContact CE2-CG1 4.46Å; F814-V844 HydrophobicContact CZ-CG1 4.41Å; F814-V846 HydrophobicContact CB-CG1 4.2Å; F814-V846 HydrophobicContact CB-CG2 3.74Å; F814-V846 HydrophobicContact CD1-CG2 4.21Å; F814-V846 HydrophobicContact CG-CG2 4.15Å
815	D	83.1	Confident	82.6	Confident	53 Å²	53	41.7 Å²	41.7	28%	0.283	20%	0.204	S	C	.	.			trans	-142.9	120.4	-172.1	162	-34.7	0	0	0	105.6	E817 M818 S819	D815-E817 PolarHBondContact OD1-N 3.44Å; D815-M818 HydrophobicContact CB-CB 4.23Å; D815-M818 HydrophobicContact CB-CE 4.09Å; D815-M818 WeakPolarHBondContact OD1-CB 3.32Å; D815-M818 PolarHBondContact OD1-N 2.98Å; D815-S819 PolarHBondContact O-N 2.97Å; D815-S819 VanDerWaalsContact O-N 3.07Å
816	Y	87.2	Confident	83.3	Confident	38 Å²	38	39.5 Å²	39.5	15%	0.149	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-38.9	-167.7	-180	-101.9	0	0	0	112	E682 M818 S819 K820 V846 D848	E682-Y816 WeakPolarHBondContact OE2-CB 3.43Å; E682-Y816 PolarHBondContact OE2-N 2.92Å; Y816-M818 VanDerWaalsContact C-N 3.31Å; Y816-M818 PolarHBondContact O-N 3.44Å; Y816-S819 CarbonylContact O-C 3.51Å; Y816-S819 PolarHBondContact O-N 3.1Å; Y816-K820 HydrophobicContact CD1-CD 4.4Å; Y816-K820 HydrophobicContact CD1-CG 4.27Å; Y816-K820 HydrophobicContact CD2-CB 4.1Å; Y816-K820 HydrophobicContact CD2-CD 4.46Å; Y816-K820 HydrophobicContact CD2-CG 3.84Å; Y816-K820 HydrophobicContact CE1-CD 3.79Å; Y816-K820 HydrophobicContact CE1-CG 4.1Å; Y816-K820 HydrophobicContact CE2-CB 3.86Å; Y816-K820 HydrophobicContact CE2-CD 3.85Å; Y816-K820 HydrophobicContact CE2-CG 3.65Å; Y816-K820 HydrophobicContact CG-CG 4.14Å; Y816-K820 VanDerWaalsContact CZ-CD 3.46Å; Y816-K820 VanDerWaalsContact CZ-NZ 3.3Å; Y816-K820 WeakPolarHBondContact O-CG 3.17Å; Y816-K820 PolarHBondContact O-N 2.71Å; Y816-K820 PolarHBondContact OH-NZ 3.11Å; Y816-V846 HydrophobicContact CD2-CB 4.04Å; Y816-V846 HydrophobicContact CD2-CG1 4.14Å; Y816-V846 VanDerWaalsContact CD2-O 3.3Å; Y816-V846 WeakPolarHBondContact CD2-O 3.3Å; Y816-V846 WeakPolarHBondContact CE2-O 3.39Å; Y816-D848 HydrophobicContact CD1-CB 3.83Å; Y816-D848 WeakPolarHBondContact CD1-OD1 3.46Å; Y816-D848 HydrophobicContact CD2-CB 4.29Å; Y816-D848 HydrophobicContact CE1-CB 3.67Å; Y816-D848 WeakPolarHBondContact CE1-OD1 3.46Å; Y816-D848 HydrophobicContact CE2-CB 4.16Å; Y816-D848 HydrophobicContact CG-CB 4.15Å
817	E	87.3	Confident	83.6	Confident	57 Å²	57	38.7 Å²	38.7	27%	0.266	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-40.3	175.3	-79.4	48	-103.6	0	0	111.4	D815 N852 A883	D815-E817 PolarHBondContact OD1-N 3.44Å; E817-N852 PolarHBondContact OE2-ND2 2.97Å; E817-A883 HydrophobicContact CG-CB 3.62Å; E817-A883 VanDerWaalsContact OE1-O 3.08Å
818	M	80.1	Confident	84.1	Confident	106 Å²	106	36.4 Å²	36.4	52%	0.522	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-49.3	176.8	-177.1	165.1	52.3	0	0	111.7	K742 D815 Y816	K742-M818 PolarHBondContact NZ-O 2.93Å; D815-M818 HydrophobicContact CB-CB 4.23Å; D815-M818 HydrophobicContact CB-CE 4.09Å; D815-M818 WeakPolarHBondContact OD1-CB 3.32Å; D815-M818 PolarHBondContact OD1-N 2.98Å; Y816-M818 VanDerWaalsContact C-N 3.31Å; Y816-M818 PolarHBondContact O-N 3.44Å
819	S	81.7	Confident	84.2	Confident	29 Å²	29	37.6 Å²	37.6	20%	0.203	19%	0.188	C	C	.	.			trans	-155.1	97.8	-179.2	-155.3	0	0	0	0	115.3	D815 Y816 T821 E822 V846	D815-S819 PolarHBondContact O-N 2.97Å; D815-S819 VanDerWaalsContact O-N 3.07Å; Y816-S819 CarbonylContact O-C 3.51Å; Y816-S819 PolarHBondContact O-N 3.1Å; S819-T821 PolarHBondContact O-N 3.48Å; S819-T821 VanDerWaalsContact O-N 3.16Å; S819-T821 PolarHBondContact OG-O 3.06Å; S819-E822 VanDerWaalsContact CB-OE1 3.25Å; S819-E822 WeakPolarHBondContact CB-OE1 3.2Å; S819-E822 PolarHBondContact OG-OE1 3.33Å; S819-V846 WeakPolarHBondContact O-CG2 3.3Å
820	K	86.1	Confident	84.7	Confident	86 Å²	86	36.6 Å²	36.6	37%	0.374	18%	0.183	S	C	.	.	S	Bend	trans	-58.2	-25.7	176.9	-56.5	-169.2	172	-146.1	0	115	Y816 V846 S885	Y816-K820 HydrophobicContact CD1-CD 4.4Å; Y816-K820 HydrophobicContact CD1-CG 4.27Å; Y816-K820 HydrophobicContact CD2-CB 4.1Å; Y816-K820 HydrophobicContact CD2-CD 4.46Å; Y816-K820 HydrophobicContact CD2-CG 3.84Å; Y816-K820 HydrophobicContact CE1-CD 3.79Å; Y816-K820 HydrophobicContact CE1-CG 4.1Å; Y816-K820 HydrophobicContact CE2-CB 3.86Å; Y816-K820 HydrophobicContact CE2-CD 3.85Å; Y816-K820 HydrophobicContact CE2-CG 3.65Å; Y816-K820 HydrophobicContact CG-CG 4.14Å; Y816-K820 VanDerWaalsContact CZ-CD 3.46Å; Y816-K820 VanDerWaalsContact CZ-NZ 3.3Å; Y816-K820 WeakPolarHBondContact O-CG 3.17Å; Y816-K820 PolarHBondContact O-N 2.71Å; Y816-K820 PolarHBondContact OH-NZ 3.11Å; K820-V846 PolarHBondContact O-N 3.12Å; K820-S885 PolarHBondContact NZ-OG 3.04Å
821	T	85	Confident	84.9	Confident	61 Å²	61	40.9 Å²	40.9	37%	0.374	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	128.5	173.9	66.7	0	0	0	0	111.9	S819 V844 I845	S819-T821 PolarHBondContact O-N 3.48Å; S819-T821 VanDerWaalsContact O-N 3.16Å; S819-T821 PolarHBondContact OG-O 3.06Å; T821-V844 VanDerWaalsContact CA-O 3.27Å; T821-V844 WeakPolarHBondContact CA-O 3.44Å; T821-I845 HydrophobicContact CG2-CG1 4.15Å
822	E	82.8	Confident	85.5	Confident	69 Å²	69	39.8 Å²	39.8	32%	0.322	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	154	172.1	-78.3	-60.5	149.4	0	0	110.7	F796 F814 S819 K843 V844	F796-E822 HydrophobicContact CE2-CB 4.24Å; F796-E822 HydrophobicContact CZ-CB 4.2Å; F814-E822 HydrophobicContact CD1-CB 4.37Å; F814-E822 HydrophobicContact CD1-CG 4.08Å; F814-E822 HydrophobicContact CE1-CB 3.76Å; F814-E822 HydrophobicContact CE1-CG 3.81Å; S819-E822 VanDerWaalsContact CB-OE1 3.25Å; S819-E822 WeakPolarHBondContact CB-OE1 3.2Å; S819-E822 PolarHBondContact OG-OE1 3.33Å; E822-K843 CarbonylContact O-C 3.58Å; E822-V844 PolarHBondContact N-O 2.95Å; E822-V844 PolarHBondContact O-N 2.83Å
823	S	87.6	Confident	86.1	Confident	19 Å²	19	43.5 Å²	43.5	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.3	175	62.6	0	0	0	0	114.4	N734 I842	N734-S823 WeakPolarHBondContact CB-OG 3.42Å; N734-S823 PolarHBondContact ND2-OG 2.86Å; S823-I842 VanDerWaalsContact CA-O 3.26Å; S823-I842 WeakPolarHBondContact CA-O 3.26Å; S823-I842 WeakPolarHBondContact CB-O 3.36Å
824	V	88.4	Confident	86.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.5	178.9	69.5	0	0	0	0	109.4	L731 V793 F796 L808 V841 I842	L731-V824 HydrophobicContact CB-CG2 3.93Å; L731-V824 HydrophobicContact CD1-CG2 4.19Å; L731-V824 HydrophobicContact CD2-CG2 4.03Å; L731-V824 HydrophobicContact CG-CG2 4.27Å; V793-V824 HydrophobicContact CB-CG2 4.37Å; V793-V824 HydrophobicContact CG1-CG2 4.29Å; F796-V824 HydrophobicContact CB-CG1 4.32Å; F796-V824 HydrophobicContact CB-CG2 4.41Å; F796-V824 HydrophobicContact CD1-CB 4.46Å; F796-V824 HydrophobicContact CD1-CG1 3.78Å; F796-V824 HydrophobicContact CD2-CB 3.74Å; F796-V824 HydrophobicContact CD2-CG1 3.98Å; F796-V824 HydrophobicContact CD2-CG2 4.26Å; F796-V824 HydrophobicContact CE1-CG1 3.98Å; F796-V824 HydrophobicContact CE2-CB 3.97Å; F796-V824 HydrophobicContact CE2-CG1 4.19Å; F796-V824 HydrophobicContact CG-CB 4.01Å; F796-V824 HydrophobicContact CG-CG1 3.77Å; F796-V824 HydrophobicContact CG-CG2 4.4Å; F796-V824 HydrophobicContact CZ-CB 4.41Å; F796-V824 HydrophobicContact CZ-CG1 4.19Å; L808-V824 HydrophobicContact CD2-CG1 4.33Å; V824-V841 WeakPolarHBondContact O-CA 3.39Å; V824-I842 HydrophobicContact CG1-CB 4.27Å; V824-I842 PolarHBondContact N-O 3.2Å; V824-I842 PolarHBondContact O-N 3.07Å
825	K	90.2	Very high	87.4	Confident	41 Å²	41	50.2 Å²	50.2	18%	0.178	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.9	176.9	-171.8	-156.1	-49.6	168	0	107.9	L731 E732 V827 V841	L731-K825 CarbonylContact C-O 3.59Å; L731-K825 WeakPolarHBondContact CA-O 3.48Å; E732-K825 HydrophobicContact CB-CB 4.28Å; E732-K825 HydrophobicContact CB-CD 4.32Å; E732-K825 PolarHBondContact N-O 3.37Å; E732-K825 PolarHBondContact O-N 2.92Å; E732-K825 WeakPolarHBondContact OE2-CD 3.3Å; E732-K825 WeakPolarHBondContact OE2-CE 3.17Å; E732-K825 IonicContact OE2-NZ 3.31Å; E732-K825 PolarHBondContact OE2-NZ 2.83Å; K825-V827 HydrophobicContact CD-CG2 3.58Å; K825-V827 HydrophobicContact CG-CG2 4.05Å; K825-V841 HydrophobicContact CB-CG2 4.47Å; K825-V841 HydrophobicContact CG-CG2 4.23Å
826	I	91.2	Very high	87.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.4	163.7	-59.7	154.3	0	0	0	106.7	I648 I714 L731 S839 H840 I842	I648-I826 HydrophobicContact CD1-CG2 4.21Å; I714-I826 HydrophobicContact CD1-CD1 4.27Å; I714-I826 HydrophobicContact CG1-CD1 3.69Å; L731-I826 HydrophobicContact CD2-CB 4.49Å; L731-I826 HydrophobicContact CD2-CG1 3.76Å; I826-S839 CarbonylContact O-C 3.47Å; I826-S839 WeakPolarHBondContact O-CA 3.49Å; I826-S839 VanDerWaalsContact O-CB 3.25Å; I826-S839 WeakPolarHBondContact O-CB 3.28Å; I826-H840 PolarHBondContact N-O 2.89Å; I826-H840 PolarHBondContact O-N 2.86Å; I826-I842 HydrophobicContact CD1-CD1 3.49Å; I826-I842 VanDerWaalsContact CD1-CD1 3.49Å; I826-I842 HydrophobicContact CD1-CG1 4.36Å; I826-I842 HydrophobicContact CG1-CD1 4.43Å
827	V	91.6	Very high	87.9	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.4	172.4	-177.2	0	0	0	0	108	C729 Y730 E732 K825 S838	C729-V827 CarbonylContact C-O 3.28Å; C729-V827 VanDerWaalsContact CA-O 3.28Å; C729-V827 WeakPolarHBondContact CA-O 3.49Å; Y730-V827 HydrophobicContact CD2-CB 4.36Å; Y730-V827 HydrophobicContact CE1-CB 4.24Å; Y730-V827 HydrophobicContact CE1-CG1 4.06Å; Y730-V827 HydrophobicContact CE2-CB 3.95Å; Y730-V827 HydrophobicContact CE2-CG1 4.22Å; Y730-V827 HydrophobicContact CE2-CG2 4.45Å; Y730-V827 PolarHBondContact N-O 3.41Å; Y730-V827 PolarHBondContact O-N 3.15Å; E732-V827 HydrophobicContact CB-CG2 4.27Å; E732-V827 HydrophobicContact CG-CG2 3.8Å; K825-V827 HydrophobicContact CD-CG2 3.58Å; K825-V827 HydrophobicContact CG-CG2 4.05Å; V827-S838 WeakPolarHBondContact CA-O 3.32Å
828	C	92.6	Very high	88.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.6	170.2	-61.4	0	0	0	0	108.7	P646 I648 V716 Q728 C729 T837 S838	P646-C828 HydrophobicContact CB-CB 4.14Å; I648-C828 HydrophobicContact CD1-CB 3.99Å; I648-C828 HydrophobicContact CG1-CB 4.13Å; V716-C828 HydrophobicContact CG1-CB 4.38Å; Q728-C828 WeakPolarHBondContact O-CA 3.41Å; C729-C828 HydrophobicContact CB-CB 4.18Å; C729-C828 WeakPolarHBondContact CB-SG 3.28Å; C729-C828 WeakPolarHBondContact SG-CB 3.1Å; C729-C828 CovalentContact SG-SG 2.04Å; C729-C828 PolarHBondContact SG-SG 3.32Å; C828-T837 WeakPolarHBondContact O-CA 3.42Å; C828-S838 PolarHBondContact N-O 2.87Å; C828-S838 PolarHBondContact O-N 2.94Å
829	S	91.9	Very high	88.6	Confident	25 Å²	25	48 Å²	48	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.7	177.4	-152.7	0	0	0	0	108	F727 Q728 S835 L836 T837	F727-S829 CarbonylContact C-O 3.49Å; F727-S829 WeakPolarHBondContact CA-O 3.45Å; F727-S829 VanDerWaalsContact CB-O 3.22Å; F727-S829 WeakPolarHBondContact CB-O 3.36Å; Q728-S829 PolarHBondContact N-O 3.16Å; Q728-S829 PolarHBondContact O-N 3.3Å; S829-S835 PolarHBondContact OG-OG 3.43Å; S829-L836 WeakPolarHBondContact CA-O 3.01Å; S829-T837 WeakPolarHBondContact OG-CG2 3.02Å
830	D	92.2	Very high	88.9	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-178.5	164.5	63.4	33.7	0	0	0	111.4	N642 P646 G724 T726 G832 S835 L836	N642-D830 PolarHBondContact ND2-OD2 2.81Å; N642-D830 PolarHBondContact OD1-OD2 3.4Å; P646-D830 HydrophobicContact CG-CB 4.19Å; G724-D830 VanDerWaalsContact O-CB 3.28Å; G724-D830 WeakPolarHBondContact O-CB 3.47Å; T726-D830 CarbonylContact O-C 3.57Å; T726-D830 WeakPolarHBondContact O-CA 3.48Å; D830-G832 WeakPolarHBondContact OD1-CA 3.49Å; D830-G832 PolarHBondContact OD1-N 2.81Å; D830-S835 PolarHBondContact O-OG 3.44Å; D830-S835 VanDerWaalsContact O-OG 3.07Å; D830-S835 WeakPolarHBondContact OD1-CA 3.44Å; D830-S835 WeakPolarHBondContact OD1-CB 3.5Å; D830-S835 PolarHBondContact OD1-OG 3.15Å; D830-L836 VanDerWaalsContact CG-N 3.26Å; D830-L836 PolarHBondContact N-O 3.41Å; D830-L836 VanDerWaalsContact N-O 3.14Å; D830-L836 PolarHBondContact OD1-N 2.74Å; D830-L836 VanDerWaalsContact OD1-N 3.08Å; D830-L836 WeakPolarHBondContact OD2-CA 3.23Å; D830-L836 VanDerWaalsContact OD2-CB 3.23Å; D830-L836 WeakPolarHBondContact OD2-CB 3.39Å; D830-L836 PolarHBondContact OD2-N 3.42Å
831	N	88.7	Confident	89	Confident	90 Å²	90	44.8 Å²	44.8	48%	0.481	25%	0.252	S	S	.	.	S	Bend	trans	-103.3	23.5	166.7	-68.6	-83.4	0	0	0	112.4	P723 T726	P723-N831 HydrophobicContact CB-CB 4.09Å; P723-N831 VanDerWaalsContact CB-O 3.24Å; P723-N831 WeakPolarHBondContact CB-O 3.39Å; P723-N831 CarbonylContact O-C 3.45Å; P723-N831 WeakPolarHBondContact O-CA 3.41Å; P723-N831 WeakPolarHBondContact O-CB 3.22Å; P723-N831 PolarHBondContact O-N 3.11Å; T726-N831 PolarHBondContact O-N 2.89Å; T726-N831 PolarHBondContact O-ND2 2.85Å; T726-N831 PolarHBondContact OG1-ND2 3.24Å
832	G	85.7	Confident	89.1	Confident	9 Å²	9	41.9 Å²	41.9	9%	0.093	24%	0.235	C	C	.	.			trans	-64.6	170.2	-178.1	0	0	0	0	0	115.6	N642 D830 P834 S835	N642-G832 WeakPolarHBondContact OD1-CA 3.22Å; D830-G832 WeakPolarHBondContact OD1-CA 3.49Å; D830-G832 PolarHBondContact OD1-N 2.81Å; G832-P834 CarbonylContact C-O 3.44Å; G832-P834 VanDerWaalsContact C-O 3.23Å; G832-P834 CarbonylContact O-C 3.46Å; G832-S835 PolarHBondContact O-N 2.82Å
833	K	84.4	Confident	89.4	Confident	201 Å²	201	40.5 Å²	40.5	87%	0.874	23%	0.228	S	C	*	.	S	Bend	trans	-141.8	93.7	176.6	-66.8	-175.6	-177.3	168.1	0	111.5
834	P	87.5	Confident	89.2	Confident	102 Å²	102	39.6 Å²	39.6	66%	0.662	22%	0.221	S	C	*	.	S	Bend	cis	-64.5	154.6	0.3	30.8	-37	0	0	0	112.1	G832	G832-P834 CarbonylContact C-O 3.44Å; G832-P834 VanDerWaalsContact C-O 3.23Å; G832-P834 CarbonylContact O-C 3.46Å
835	S	89.8	Confident	89.1	Confident	53 Å²	53	41.4 Å²	41.4	37%	0.371	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-83.4	137.7	173.5	176.1	0	0	0	0	110.4	S829 D830 G832	S829-S835 PolarHBondContact OG-OG 3.43Å; D830-S835 PolarHBondContact O-OG 3.44Å; D830-S835 VanDerWaalsContact O-OG 3.07Å; D830-S835 WeakPolarHBondContact OD1-CA 3.44Å; D830-S835 WeakPolarHBondContact OD1-CB 3.5Å; D830-S835 PolarHBondContact OD1-OG 3.15Å; G832-S835 PolarHBondContact O-N 2.82Å
836	L	90.4	Very high	88.8	Confident	46 Å²	46	39.6 Å²	39.6	24%	0.241	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-101.9	142.9	175	-54.4	175.3	0	0	0	110.4	N642 D643 A645 S829 D830	N642-L836 WeakPolarHBondContact ND2-CD1 3.25Å; N642-L836 WeakPolarHBondContact ND2-CG 3.34Å; D643-L836 WeakPolarHBondContact O-CD1 3.14Å; A645-L836 HydrophobicContact CB-CB 3.81Å; S829-L836 WeakPolarHBondContact CA-O 3.01Å; D830-L836 VanDerWaalsContact CG-N 3.26Å; D830-L836 PolarHBondContact N-O 3.41Å; D830-L836 VanDerWaalsContact N-O 3.14Å; D830-L836 PolarHBondContact OD1-N 2.74Å; D830-L836 VanDerWaalsContact OD1-N 3.08Å; D830-L836 WeakPolarHBondContact OD2-CA 3.23Å; D830-L836 VanDerWaalsContact OD2-CB 3.23Å; D830-L836 WeakPolarHBondContact OD2-CB 3.39Å; D830-L836 PolarHBondContact OD2-N 3.42Å
837	T	91.1	Very high	88.5	Confident	88 Å²	88	43.5 Å²	43.5	54%	0.54	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.3	-174.7	57.5	0	0	0	0	110.9	C828 S829	C828-T837 WeakPolarHBondContact O-CA 3.42Å; S829-T837 WeakPolarHBondContact OG-CG2 3.02Å
838	S	90.9	Very high	88.3	Confident	23 Å²	23	44.7 Å²	44.7	16%	0.161	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	161	167.1	68.9	0	0	0	0	111	P646 I648 V827 C828	P646-S838 WeakPolarHBondContact O-CB 3.48Å; P646-S838 PolarHBondContact O-OG 2.85Å; I648-S838 VanDerWaalsContact CD1-OG 3.23Å; I648-S838 WeakPolarHBondContact CD1-OG 3.34Å; I648-S838 WeakPolarHBondContact CG1-OG 2.99Å; V827-S838 WeakPolarHBondContact CA-O 3.32Å; C828-S838 PolarHBondContact N-O 2.87Å; C828-S838 PolarHBondContact O-N 2.94Å
839	S	91.1	Very high	87.9	Confident	51 Å²	51	47.4 Å²	47.4	36%	0.357	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.8	173.8	58	0	0	0	0	113.7	N674 I826	N674-S839 PolarHBondContact ND2-O 2.98Å; N674-S839 VanDerWaalsContact ND2-O 3.11Å; I826-S839 CarbonylContact O-C 3.47Å; I826-S839 WeakPolarHBondContact O-CA 3.49Å; I826-S839 VanDerWaalsContact O-CB 3.25Å; I826-S839 WeakPolarHBondContact O-CB 3.28Å
840	H	88.1	Confident	87.8	Confident	22 Å²	22	47.7 Å²	47.7	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.4	178.5	-152.7	118.5	0	0	0	109	I648 V650 N673 N674 I826	I648-H840 HydrophobicContact CB-CB 4.43Å; I648-H840 HydrophobicContact CD1-CB 4.49Å; I648-H840 HydrophobicContact CG2-CB 3.9Å; V650-H840 HydrophobicContact CG2-CB 4.35Å; N673-H840 PolarHBondContact O-CE1 3.16Å; N674-H840 PolarHBondContact O-CD2 2.93Å; I826-H840 PolarHBondContact N-O 2.89Å; I826-H840 PolarHBondContact O-N 2.86Å
841	V	88.8	Confident	87.5	Confident	25 Å²	25	49.9 Å²	49.9	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.2	179.3	179.3	0	0	0	0	109.7	N674 V675 L676 N734 V824 K825	N674-V841 PolarHBondContact O-N 3.08Å; V675-V841 CarbonylContact C-O 3.56Å; V675-V841 WeakPolarHBondContact CA-O 3.46Å; V675-V841 HydrophobicContact CG2-CB 4.41Å; L676-V841 PolarHBondContact N-O 3.35Å; N734-V841 HydrophobicContact CB-CG1 4.43Å; V824-V841 WeakPolarHBondContact O-CA 3.39Å; K825-V841 HydrophobicContact CB-CG2 4.47Å; K825-V841 HydrophobicContact CG-CG2 4.23Å
842	I	86.8	Confident	87.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.1	168.8	-69.7	167.8	0	0	0	107.2	V650 L676 V678 A712 L808 S823 V824 I826 V844	V650-I842 HydrophobicContact CG1-CD1 4.14Å; L676-I842 HydrophobicContact CB-CG1 4.2Å; L676-I842 HydrophobicContact CD2-CG1 4.38Å; L676-I842 WeakPolarHBondContact O-CA 3.23Å; V678-I842 HydrophobicContact CG2-CG2 4.07Å; A712-I842 HydrophobicContact CB-CD1 4.46Å; L808-I842 HydrophobicContact CD2-CB 4.5Å; L808-I842 HydrophobicContact CD2-CD1 3.46Å; L808-I842 VanDerWaalsContact CD2-CD1 3.46Å; L808-I842 HydrophobicContact CD2-CG2 4.3Å; S823-I842 VanDerWaalsContact CA-O 3.26Å; S823-I842 WeakPolarHBondContact CA-O 3.26Å; S823-I842 WeakPolarHBondContact CB-O 3.36Å; V824-I842 HydrophobicContact CG1-CB 4.27Å; V824-I842 PolarHBondContact N-O 3.2Å; V824-I842 PolarHBondContact O-N 3.07Å; I826-I842 HydrophobicContact CD1-CD1 3.49Å; I826-I842 VanDerWaalsContact CD1-CD1 3.49Å; I826-I842 HydrophobicContact CD1-CG1 4.36Å; I826-I842 HydrophobicContact CG1-CD1 4.43Å; I842-V844 HydrophobicContact CG2-CG2 4.44Å
843	K	87.5	Confident	87.7	Confident	40 Å²	40	49.8 Å²	49.8	17%	0.174	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.5	176.4	-174.6	152.7	-175.6	163.2	0	109.2	L676 Y677 V678 D737 E822	L676-K843 PolarHBondContact O-N 2.81Å; Y677-K843 WeakPolarHBondContact CA-O 3.07Å; Y677-K843 HydrophobicContact CD1-CB 4.23Å; Y677-K843 HydrophobicContact CD1-CG 4.39Å; Y677-K843 HydrophobicContact CE1-CB 4.34Å; Y677-K843 HydrophobicContact CE1-CD 4.16Å; Y677-K843 HydrophobicContact CE1-CG 4.35Å; V678-K843 PolarHBondContact N-O 3.01Å; D737-K843 IonicContact OD2-NZ 3.27Å; D737-K843 PolarHBondContact OD2-NZ 2.91Å; E822-K843 CarbonylContact O-C 3.58Å
844	V	84.6	Confident	88.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.9	174.2	176.4	0	0	0	0	108.3	V678 I680 L711 F796 F814 T821 E822 I842 V846	V678-V844 CarbonylContact O-C 3.57Å; V678-V844 WeakPolarHBondContact O-CA 3.1Å; I680-V844 HydrophobicContact CD1-CG1 3.45Å; I680-V844 VanDerWaalsContact CD1-CG1 3.45Å; I680-V844 HydrophobicContact CG1-CG1 3.72Å; L711-V844 HydrophobicContact CD1-CG2 4.11Å; F796-V844 HydrophobicContact CE1-CG2 3.61Å; F796-V844 HydrophobicContact CZ-CB 4.43Å; F796-V844 HydrophobicContact CZ-CG2 3.76Å; F814-V844 HydrophobicContact CE2-CG1 4.46Å; F814-V844 HydrophobicContact CZ-CG1 4.41Å; T821-V844 VanDerWaalsContact CA-O 3.27Å; T821-V844 WeakPolarHBondContact CA-O 3.44Å; E822-V844 PolarHBondContact N-O 2.95Å; E822-V844 PolarHBondContact O-N 2.83Å; I842-V844 HydrophobicContact CG2-CG2 4.44Å; V844-V846 HydrophobicContact CG1-CG2 4.38Å
845	I	85.5	Confident	88.5	Confident	39 Å²	39	39.5 Å²	39.5	20%	0.2	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.3	168.5	-62.5	171.1	0	0	0	106.3	Y677 V678 Y679 I680 T821	Y677-I845 HydrophobicContact CD1-CD1 3.9Å; V678-I845 PolarHBondContact O-N 2.94Å; Y679-I845 WeakPolarHBondContact CA-O 3.43Å; Y679-I845 HydrophobicContact CD1-CB 3.83Å; Y679-I845 HydrophobicContact CD1-CD1 4.33Å; Y679-I845 HydrophobicContact CD1-CG2 3.85Å; Y679-I845 HydrophobicContact CE1-CB 3.94Å; Y679-I845 HydrophobicContact CE1-CD1 3.6Å; Y679-I845 HydrophobicContact CE1-CG1 4.36Å; Y679-I845 HydrophobicContact CE1-CG2 3.85Å; Y679-I845 HydrophobicContact CE2-CD1 4.44Å; I680-I845 PolarHBondContact N-O 3.06Å; T821-I845 HydrophobicContact CG2-CG1 4.15Å
846	V	84.5	Confident	88.9	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.8	177.6	-172.7	0	0	0	0	108.1	I680 E682 F814 Y816 S819 K820 V844	I680-V846 CarbonylContact O-C 3.5Å; E682-V846 HydrophobicContact CB-CG1 3.65Å; F814-V846 HydrophobicContact CB-CG1 4.2Å; F814-V846 HydrophobicContact CB-CG2 3.74Å; F814-V846 HydrophobicContact CD1-CG2 4.21Å; F814-V846 HydrophobicContact CG-CG2 4.15Å; Y816-V846 HydrophobicContact CD2-CB 4.04Å; Y816-V846 HydrophobicContact CD2-CG1 4.14Å; Y816-V846 VanDerWaalsContact CD2-O 3.3Å; Y816-V846 WeakPolarHBondContact CD2-O 3.3Å; Y816-V846 WeakPolarHBondContact CE2-O 3.39Å; S819-V846 WeakPolarHBondContact O-CG2 3.3Å; K820-V846 PolarHBondContact O-N 3.12Å; V844-V846 HydrophobicContact CG1-CG2 4.38Å
847	Q	84.5	Confident	89	Confident	84 Å²	84	39.3 Å²	39.3	39%	0.393	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.1	176.4	-59.6	-172	-114	0	0	110.1	I680 E682	I680-Q847 WeakPolarHBondContact O-CB 3.24Å; I680-Q847 WeakPolarHBondContact O-CG 3.39Å; I680-Q847 PolarHBondContact O-N 2.93Å; E682-Q847 PolarHBondContact N-O 2.88Å
848	D	87.1	Confident	89	Confident	33 Å²	33	40.9 Å²	40.9	18%	0.176	22%	0.222	C	C	.	.			trans	-44.3	123.5	169.9	-170.5	102.6	0	0	0	112.7	E682 Y816 S885 N888	E682-D848 WeakPolarHBondContact OE1-CA 3.42Å; Y816-D848 HydrophobicContact CD1-CB 3.83Å; Y816-D848 WeakPolarHBondContact CD1-OD1 3.46Å; Y816-D848 HydrophobicContact CD2-CB 4.29Å; Y816-D848 HydrophobicContact CE1-CB 3.67Å; Y816-D848 WeakPolarHBondContact CE1-OD1 3.46Å; Y816-D848 HydrophobicContact CE2-CB 4.16Å; Y816-D848 HydrophobicContact CG-CB 4.15Å; D848-S885 WeakPolarHBondContact OD1-CA 3.08Å; D848-S885 WeakPolarHBondContact OD1-CB 3.32Å; D848-S885 PolarHBondContact OD1-N 2.52Å; D848-S885 PolarHBondContact OD2-N 3.48Å; D848-N888 PolarHBondContact OD2-ND2 3.03Å
849	L	85.5	Confident	89	Confident	57 Å²	57	46.8 Å²	46.8	30%	0.298	25%	0.251	S	S	.	.			trans	-110	160.4	165.7	-63.1	-177.6	0	0	0	109.2	N681 E682 D851	N681-L849 HydrophobicContact CB-CD1 4.26Å; N681-L849 HydrophobicContact CB-CD2 4.3Å; N681-L849 HydrophobicContact CB-CG 4.4Å; E682-L849 HydrophobicContact CG-CB 4.2Å; E682-L849 HydrophobicContact CG-CD1 4.02Å; E682-L849 HydrophobicContact CG-CG 4.02Å; E682-L849 PolarHBondContact OE1-N 2.84Å; L849-D851 VanDerWaalsContact C-N 3.33Å; L849-D851 PolarHBondContact O-N 2.69Å
850	N	88.8	Confident	89.1	Confident	30 Å²	30	48.2 Å²	48.2	16%	0.16	25%	0.25	C	C	.	.	S	Bend	trans	-84.7	75.2	178.6	-158.5	116.4	0	0	0	111	D884 N888 D934 G936 L941	N850-D884 WeakPolarHBondContact CA-OD2 3.39Å; N850-N888 HydrophobicContact CB-CB 4.09Å; N850-N888 WeakPolarHBondContact OD1-CA 3.37Å; N850-N888 WeakPolarHBondContact OD1-CB 3.34Å; N850-N888 VanDerWaalsContact OD1-CG 3.31Å; N850-N888 PolarHBondContact OD1-OD1 3.5Å; N850-D934 PolarHBondContact ND2-OD2 2.73Å; N850-D934 PolarHBondContact OD1-OD2 2.75Å; N850-G936 WeakPolarHBondContact OD1-CA 3.44Å; N850-G936 PolarHBondContact OD1-N 3.24Å; N850-L941 WeakPolarHBondContact ND2-CD1 3.1Å; N850-L941 WeakPolarHBondContact ND2-CG 3.22Å; N850-L941 WeakPolarHBondContact O-CD1 3.35Å
851	D	86	Confident	89.5	Confident	52 Å²	52	47.6 Å²	47.6	28%	0.278	25%	0.247	S	C	.	.			trans	-113.7	-22	-168.7	136	-45.4	0	0	0	113.7	P684 G685 L849 D884	P684-D851 VanDerWaalsContact CA-OD2 3.27Å; P684-D851 WeakPolarHBondContact CA-OD2 3.29Å; G685-D851 PolarHBondContact N-OD2 2.76Å; L849-D851 VanDerWaalsContact C-N 3.33Å; L849-D851 PolarHBondContact O-N 2.69Å; D851-D884 PolarHBondContact N-OD2 2.64Å
852	N	87.9	Confident	89.8	Confident	43 Å²	43	50.9 Å²	50.9	23%	0.23	26%	0.263	C	S	.	.	S	Bend	trans	-94.7	135.6	168.6	-56.7	-90	0	0	0	111.6	E817 A883 D884 L941	E817-N852 PolarHBondContact OE2-ND2 2.97Å; N852-A883 HydrophobicContact CB-CB 3.83Å; N852-D884 WeakPolarHBondContact CB-OD1 3.24Å; N852-D884 PolarHBondContact N-OD1 2.78Å; N852-D884 VanDerWaalsContact N-OD1 3.13Å; N852-D884 PolarHBondContact ND2-OD1 3.46Å; N852-L941 WeakPolarHBondContact O-CD1 3.34Å
853	P	91	Very high	90.3	Very high	54 Å²	54	51.4 Å²	51.4	35%	0.351	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-87.5	149.7	173.1	33.8	-34	0	0	0	111.8	V855 L941	P853-V855 VanDerWaalsContact O-CG2 3.32Å; P853-V855 WeakPolarHBondContact O-CG2 3.39Å; P853-V855 PolarHBondContact O-N 2.93Å; P853-L941 HydrophobicContact CB-CB 3.96Å; P853-L941 HydrophobicContact CB-CD1 4.28Å
854	P	95.6	Very high	90.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-52.8	122.8	176.3	-22.3	23.4	0	0	0	113	D882 I891 A932 D934 T943	P854-D882 VanDerWaalsContact CA-OD2 3.28Å; P854-D882 WeakPolarHBondContact CA-OD2 3.17Å; P854-D882 WeakPolarHBondContact CB-OD2 3.34Å; P854-D882 WeakPolarHBondContact CD-OD2 3.27Å; P854-D882 WeakPolarHBondContact CG-OD2 3.5Å; P854-I891 HydrophobicContact CB-CD1 4.12Å; P854-I891 HydrophobicContact CB-CG1 4.06Å; P854-I891 HydrophobicContact CG-CG1 4.32Å; P854-A932 HydrophobicContact CB-CB 3.8Å; P854-A932 HydrophobicContact CG-CB 4.49Å; P854-D934 HydrophobicContact CG-CB 4.24Å; P854-T943 WeakPolarHBondContact O-CB 3.23Å; P854-T943 PolarHBondContact O-OG1 3.12Å
855	V	94	Very high	91.2	Very high	86 Å²	86	55.6 Å²	55.6	52%	0.521	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.7	-177	-174.3	0	0	0	0	111.4	P853 A880 T881	P853-V855 VanDerWaalsContact O-CG2 3.32Å; P853-V855 WeakPolarHBondContact O-CG2 3.39Å; P853-V855 PolarHBondContact O-N 2.93Å; V855-A880 CarbonylContact O-C 3.3Å; V855-A880 WeakPolarHBondContact O-CA 3.38Å; V855-A880 WeakPolarHBondContact O-CB 3.26Å; V855-T881 PolarHBondContact N-O 3.29Å; V855-T881 PolarHBondContact O-N 3.11Å
856	F	96.4	Very high	91.7	Very high	14 Å²	14	59.1 Å²	59.1	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.8	172.7	-75.1	-80	0	0	0	112	K858 Y861 V878 L879 A880 Y893 V930 A932 T943 T945	F856-K858 WeakPolarHBondContact CB-O 3.3Å; F856-K858 PolarHBondContact O-N 3.45Å; F856-Y861 HydrophobicContact CB-CE2 4.49Å; F856-Y861 HydrophobicContact CD1-CE2 4.35Å; F856-V878 HydrophobicContact CD1-CB 4.47Å; F856-V878 HydrophobicContact CE1-CB 4.29Å; F856-V878 HydrophobicContact CE1-CG2 4.11Å; F856-L879 WeakPolarHBondContact CA-O 3.28Å; F856-A880 HydrophobicContact CD1-CB 3.85Å; F856-A880 HydrophobicContact CE1-CB 4.15Å; F856-A880 HydrophobicContact CG-CB 4.13Å; F856-Y893 HydrophobicContact CE1-CD1 4.04Å; F856-Y893 AromaticContact CE1-CE1 3.89Å; F856-Y893 HydrophobicContact CE1-CE1 3.89Å; F856-Y893 HydrophobicContact CZ-CD1 4.39Å; F856-V930 HydrophobicContact CE1-CG1 4.32Å; F856-V930 WeakPolarHBondContact CE2-O 3.46Å; F856-V930 HydrophobicContact CZ-CG1 4.05Å; F856-V930 WeakPolarHBondContact CZ-O 3Å; F856-A932 HydrophobicContact CD2-CB 4.49Å; F856-A932 HydrophobicContact CE1-CB 4.13Å; F856-A932 HydrophobicContact CE2-CB 3.67Å; F856-A932 HydrophobicContact CZ-CB 3.46Å; F856-A932 VanDerWaalsContact CZ-CB 3.46Å; F856-T943 HydrophobicContact CD2-CG2 4.1Å; F856-T945 HydrophobicContact CD1-CG2 3.62Å; F856-T945 HydrophobicContact CD2-CG2 3.79Å; F856-T945 HydrophobicContact CE1-CG2 3.58Å; F856-T945 HydrophobicContact CE2-CG2 3.75Å; F856-T945 HydrophobicContact CG-CG2 3.72Å; F856-T945 HydrophobicContact CZ-CG2 3.64Å
857	T	93.4	Very high	92.2	Very high	81 Å²	81	59.2 Å²	59.2	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-65.1	-8.8	176.3	63.3	0	0	0	0	114.6	Y861 L879	T857-Y861 PolarHBondContact OG1-OH 3.37Å; T857-L879 HydrophobicContact CG2-CB 4.11Å; T857-L879 HydrophobicContact CG2-CD2 4.04Å; T857-L879 HydrophobicContact CG2-CG 4.02Å; T857-L879 PolarHBondContact N-O 3.35Å; T857-L879 PolarHBondContact OG1-O 2.77Å
858	K	91.8	Very high	92.6	Very high	121 Å²	121	59.3 Å²	59.3	53%	0.526	30%	0.304	S	S	.	.			trans	-152.7	143.7	172.7	-55.3	-177.6	-176	177.1	0	110.8	F856 Y860 Y861 T945	F856-K858 WeakPolarHBondContact CB-O 3.3Å; F856-K858 PolarHBondContact O-N 3.45Å; K858-Y860 VanDerWaalsContact C-N 3.26Å; K858-Y860 WeakPolarHBondContact CB-O 3.34Å; K858-Y860 PolarHBondContact O-N 2.73Å; K858-Y861 HydrophobicContact CB-CD2 4.24Å; K858-Y861 HydrophobicContact CB-CE1 4.28Å; K858-Y861 HydrophobicContact CB-CE2 3.91Å; K858-Y861 HydrophobicContact CD-CD1 4.13Å; K858-Y861 HydrophobicContact CD-CE1 4.1Å; K858-Y861 HydrophobicContact CG-CE1 4.27Å; K858-Y861 VanDerWaalsContact O-CE2 3.26Å; K858-Y861 WeakPolarHBondContact O-CE2 3.13Å; K858-T945 PolarHBondContact O-OG1 3.39Å
859	D	89.8	Confident	92.9	Very high	147 Å²	147	58.5 Å²	58.5	79%	0.786	30%	0.301	S	S	*	.	S	Bend	trans	-73	-21.4	170.7	-45.6	-54.3	0	0	0	112.8	T945 T946	D859-T945 VanDerWaalsContact C-OG1 3.3Å; D859-T945 PolarHBondContact O-OG1 2.91Å; D859-T945 VanDerWaalsContact O-OG1 3.13Å; D859-T946 PolarHBondContact O-N 3.32Å
860	Y	93.8	Very high	93.4	Very high	82 Å²	82	59.9 Å²	59.9	32%	0.322	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.4	-177.3	-153.5	-111.2	0	0	0	111.4	K858 N862 R927 T946 E948	K858-Y860 VanDerWaalsContact C-N 3.26Å; K858-Y860 WeakPolarHBondContact CB-O 3.34Å; K858-Y860 PolarHBondContact O-N 2.73Å; Y860-N862 VanDerWaalsContact CD1-OD1 3.3Å; Y860-N862 WeakPolarHBondContact CD1-OD1 3.41Å; Y860-N862 WeakPolarHBondContact CE1-OD1 3.4Å; Y860-R927 PolarHBondContact OH-NH1 2.58Å; Y860-T946 WeakPolarHBondContact CA-O 3.49Å; Y860-T946 HydrophobicContact CD2-CG2 4.08Å; Y860-T946 HydrophobicContact CE2-CG2 3.64Å; Y860-E948 HydrophobicContact CE1-CB 4.33Å; Y860-E948 VanDerWaalsContact OH-CD 3.25Å; Y860-E948 PolarHBondContact OH-OE2 3.4Å
861	Y	96	Very high	93.7	Very high	9 Å²	9	62.8 Å²	62.8	4%	0.035	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.9	175	-69.1	-97.7	0	0	0	111	F856 T857 K858 F863 V878 L879 T945 T946 I947 E948	F856-Y861 HydrophobicContact CB-CE2 4.49Å; F856-Y861 HydrophobicContact CD1-CE2 4.35Å; T857-Y861 PolarHBondContact OG1-OH 3.37Å; K858-Y861 HydrophobicContact CB-CD2 4.24Å; K858-Y861 HydrophobicContact CB-CE1 4.28Å; K858-Y861 HydrophobicContact CB-CE2 3.91Å; K858-Y861 HydrophobicContact CD-CD1 4.13Å; K858-Y861 HydrophobicContact CD-CE1 4.1Å; K858-Y861 HydrophobicContact CG-CE1 4.27Å; K858-Y861 VanDerWaalsContact O-CE2 3.26Å; K858-Y861 WeakPolarHBondContact O-CE2 3.13Å; Y861-F863 AromaticContact CD1-CE1 3.79Å; Y861-F863 HydrophobicContact CD1-CE1 3.79Å; Y861-F863 HydrophobicContact CD1-CE2 4.44Å; Y861-F863 AromaticContact CD1-CZ 3.47Å; Y861-F863 HydrophobicContact CD1-CZ 3.47Å; Y861-F863 VanDerWaalsContact CD1-CZ 3.47Å; Y861-F863 HydrophobicContact CE1-CZ 4.34Å; Y861-F863 HydrophobicContact CG-CE1 4.35Å; Y861-F863 HydrophobicContact CG-CE2 4.43Å; Y861-F863 AromaticContact CG-CZ 3.86Å; Y861-F863 HydrophobicContact CG-CZ 3.86Å; Y861-V878 HydrophobicContact CD1-CG1 4.1Å; Y861-V878 HydrophobicContact CD2-CG1 3.94Å; Y861-V878 HydrophobicContact CE1-CB 4.39Å; Y861-V878 HydrophobicContact CE1-CG1 4.04Å; Y861-V878 HydrophobicContact CE2-CB 4.33Å; Y861-V878 HydrophobicContact CE2-CG1 3.87Å; Y861-V878 HydrophobicContact CG-CG1 4.04Å; Y861-L879 PolarHBondContact OH-N 3.41Å; Y861-L879 PolarHBondContact OH-O 3.08Å; Y861-L879 VanDerWaalsContact OH-O 3.05Å; Y861-T945 HydrophobicContact CD2-CG2 4.02Å; Y861-T945 WeakPolarHBondContact CD2-OG1 3.47Å; Y861-T945 HydrophobicContact CE2-CG2 3.87Å; Y861-T945 WeakPolarHBondContact CE2-OG1 3.26Å; Y861-T946 PolarHBondContact N-O 2.72Å; Y861-I947 WeakPolarHBondContact O-CA 3.18Å; Y861-E948 PolarHBondContact O-N 3.18Å
862	N	96.1	Very high	94.1	Very high	93 Å²	93	65.7 Å²	65.7	50%	0.497	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.6	166.7	-71.2	0.3	0	0	0	109.2	Y860 E948	Y860-N862 VanDerWaalsContact CD1-OD1 3.3Å; Y860-N862 WeakPolarHBondContact CD1-OD1 3.41Å; Y860-N862 WeakPolarHBondContact CE1-OD1 3.4Å; N862-E948 WeakPolarHBondContact CA-O 3.37Å
863	F	96.9	Very high	94.5	Very high	12 Å²	12	65.4 Å²	65.4	5%	0.053	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.6	174.2	-59.2	-38.5	0	0	0	110.9	Y861 V875 N876 V878 I912 I947 E948 V949 T950	Y861-F863 AromaticContact CD1-CE1 3.79Å; Y861-F863 HydrophobicContact CD1-CE1 3.79Å; Y861-F863 HydrophobicContact CD1-CE2 4.44Å; Y861-F863 AromaticContact CD1-CZ 3.47Å; Y861-F863 HydrophobicContact CD1-CZ 3.47Å; Y861-F863 VanDerWaalsContact CD1-CZ 3.47Å; Y861-F863 HydrophobicContact CE1-CZ 4.34Å; Y861-F863 HydrophobicContact CG-CE1 4.35Å; Y861-F863 HydrophobicContact CG-CE2 4.43Å; Y861-F863 AromaticContact CG-CZ 3.86Å; Y861-F863 HydrophobicContact CG-CZ 3.86Å; F863-V875 HydrophobicContact CB-CG1 3.84Å; F863-V875 HydrophobicContact CD2-CG1 4.47Å; F863-N876 HydrophobicContact CB-CB 4.28Å; F863-N876 HydrophobicContact CD1-CB 3.37Å; F863-N876 HydrophobicContact CD2-CB 3.78Å; F863-N876 HydrophobicContact CE1-CB 3.43Å; F863-N876 VanDerWaalsContact CE1-CB 3.43Å; F863-N876 VanDerWaalsContact CE1-CG 3.45Å; F863-N876 HydrophobicContact CE2-CB 3.84Å; F863-N876 HydrophobicContact CG-CB 3.55Å; F863-N876 HydrophobicContact CZ-CB 3.67Å; F863-V878 HydrophobicContact CE2-CG1 4.04Å; F863-V878 HydrophobicContact CZ-CG1 3.99Å; F863-I912 HydrophobicContact CE2-CD1 4.14Å; F863-I947 HydrophobicContact CD2-CG2 3.53Å; F863-I947 HydrophobicContact CE2-CD1 4.21Å; F863-I947 HydrophobicContact CE2-CG2 3.8Å; F863-I947 HydrophobicContact CG-CG2 4.49Å; F863-E948 PolarHBondContact N-O 2.93Å; F863-V949 HydrophobicContact CB-CG2 4.39Å; F863-V949 WeakPolarHBondContact O-CA 3.24Å; F863-T950 PolarHBondContact O-N 3.25Å
864	F	96.2	Very high	94.8	Very high	118 Å²	118	67.3 Å²	67.3	52%	0.518	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142	-178.1	-57.9	-86.7	0	0	0	109.7	T950 I952	F864-T950 WeakPolarHBondContact CA-O 3.25Å; F864-T950 HydrophobicContact CD1-CG2 4.22Å; F864-T950 HydrophobicContact CE1-CG2 4.3Å; F864-I952 HydrophobicContact CB-CD1 3.67Å; F864-I952 HydrophobicContact CB-CG1 4.11Å; F864-I952 HydrophobicContact CD1-CD1 4.22Å; F864-I952 HydrophobicContact CD1-CG1 4.19Å; F864-I952 HydrophobicContact CG-CD1 4.22Å
865	V	95.5	Very high	94.8	Very high	9 Å²	9	67.9 Å²	67.9	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.5	172.2	65.5	0	0	0	0	108.1	T873 V875 T914 V949 T950 I951 I952	V865-T873 HydrophobicContact CG2-CG2 4.38Å; V865-V875 HydrophobicContact CB-CG2 4.41Å; V865-V875 HydrophobicContact CG2-CG2 4.44Å; V865-T914 HydrophobicContact CG2-CG2 4.14Å; V865-V949 HydrophobicContact CG1-CG1 3.82Å; V865-T950 PolarHBondContact N-O 3.46Å; V865-I951 HydrophobicContact CG1-CD1 3.52Å; V865-I951 CarbonylContact O-C 3.33Å; V865-I951 WeakPolarHBondContact O-CA 3.46Å; V865-I952 PolarHBondContact O-N 2.96Å
866	Q	94.6	Very high	94.9	Very high	114 Å²	114	67.5 Å²	67.5	53%	0.533	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.6	175.1	-61.9	-175.1	-85.2	0	0	109.6	S869 I952 V954	Q866-S869 VanDerWaalsContact O-CB 3.24Å; Q866-S869 WeakPolarHBondContact O-CB 3.38Å; Q866-S869 PolarHBondContact O-OG 2.94Å; Q866-I952 HydrophobicContact CG-CB 4.44Å; Q866-V954 HydrophobicContact CB-CG2 4.02Å; Q866-V954 HydrophobicContact CG-CG2 4.46Å
867	E	95.1	Very high	94.8	Very high	5 Å²	5	71.3 Å²	71.3	2%	0.023	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	169.2	165.2	73.3	-165.5	135.9	0	0	111.9	S869 F918 R920 I951 I952 D953 V954	E867-S869 PolarHBondContact O-N 2.86Å; E867-F918 WeakPolarHBondContact CB-O 3.49Å; E867-R920 WeakPolarHBondContact OE2-CB 3.12Å; E867-R920 PolarHBondContact OE2-N 2.63Å; E867-I951 HydrophobicContact CB-CG2 3.57Å; E867-I952 PolarHBondContact N-O 3.34Å; E867-D953 WeakPolarHBondContact OE1-CA 3.23Å; E867-V954 HydrophobicContact CG-CB 3.93Å; E867-V954 HydrophobicContact CG-CG2 4.1Å; E867-V954 PolarHBondContact OE1-N 2.8Å
868	N	94	Very high	94.9	Very high	85 Å²	85	67.4 Å²	67.4	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	3	-170.6	-74.9	-71	0	0	0	115.3	F918 D956	N868-F918 PolarHBondContact N-O 2.91Å; N868-D956 PolarHBondContact ND2-OD2 2.9Å
869	S	93.6	Very high	95.1	Very high	16 Å²	16	65.8 Å²	65.8	11%	0.112	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-57.3	133.6	173.8	-71.7	0	0	0	0	111.1	Q866 E867	Q866-S869 VanDerWaalsContact O-CB 3.24Å; Q866-S869 WeakPolarHBondContact O-CB 3.38Å; Q866-S869 PolarHBondContact O-OG 2.94Å; E867-S869 PolarHBondContact O-N 2.86Å
870	P	95.5	Very high	95.3	Very high	87 Å²	87	59 Å²	59	57%	0.565	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-66.2	160.9	-178.6	26.7	-33.9	0	0	0	112.4	T873 T914	P870-T873 WeakPolarHBondContact CD-OG1 3.45Å; P870-T873 WeakPolarHBondContact CG-OG1 3.42Å; P870-T873 WeakPolarHBondContact O-CB 3.44Å; P870-T873 PolarHBondContact O-N 2.92Å; P870-T873 PolarHBondContact O-OG1 2.91Å; P870-T914 PolarHBondContact O-OG1 3.24Å
871	I	94.4	Very high	95.3	Very high	91 Å²	91	59 Å²	59	47%	0.467	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	139	175.3	-56.9	178	0	0	0	110	K915 I917	I871-K915 WeakPolarHBondContact CG2-O 3.42Å; I871-I917 HydrophobicContact CG1-CG1 4.22Å
872	N	95.4	Very high	95.3	Very high	113 Å²	113	60 Å²	60	60%	0.604	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	24.5	-169.8	-43.3	-72.9	0	0	0	114.9	T914	N872-T914 WeakPolarHBondContact CA-O 3.42Å; N872-T914 PolarHBondContact N-O 3.28Å; N872-T914 PolarHBondContact N-OG1 2.81Å
873	T	95.9	Very high	95	Very high	36 Å²	36	57.8 Å²	57.8	22%	0.221	31%	0.311	C	S	.	.			trans	-68.7	130.8	165.3	-63.8	0	0	0	0	109.3	V865 P870 V875 Y913 T914	V865-T873 HydrophobicContact CG2-CG2 4.38Å; P870-T873 WeakPolarHBondContact CD-OG1 3.45Å; P870-T873 WeakPolarHBondContact CG-OG1 3.42Å; P870-T873 WeakPolarHBondContact O-CB 3.44Å; P870-T873 PolarHBondContact O-N 2.92Å; P870-T873 PolarHBondContact O-OG1 2.91Å; T873-V875 PolarHBondContact O-N 3.2Å; T873-Y913 CarbonylContact O-C 3.35Å; T873-Y913 VanDerWaalsContact O-CA 3.22Å; T873-Y913 WeakPolarHBondContact O-CA 3.46Å; T873-T914 PolarHBondContact N-OG1 2.94Å; T873-T914 PolarHBondContact O-N 2.86Å
874	L	96.6	Very high	94.8	Very high	95 Å²	95	57.5 Å²	57.5	50%	0.497	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.2	173.3	178.3	69.5	0	0	0	109.3	Y913	L874-Y913 HydrophobicContact CB-CD1 4.01Å; L874-Y913 HydrophobicContact CB-CE1 3.88Å; L874-Y913 HydrophobicContact CD1-CD1 4.16Å; L874-Y913 HydrophobicContact CD1-CE1 3.74Å; L874-Y913 HydrophobicContact CD1-CE2 4.26Å; L874-Y913 HydrophobicContact CG-CE1 4.39Å
875	V	95.9	Very high	94.4	Very high	11 Å²	11	53.1 Å²	53.1	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-59	176.8	177.8	0	0	0	0	109.5	F863 V865 T873 F903 I912 T914 V949	F863-V875 HydrophobicContact CB-CG1 3.84Å; F863-V875 HydrophobicContact CD2-CG1 4.47Å; V865-V875 HydrophobicContact CB-CG2 4.41Å; V865-V875 HydrophobicContact CG2-CG2 4.44Å; T873-V875 PolarHBondContact O-N 3.2Å; V875-F903 HydrophobicContact CG2-CD1 4.08Å; V875-F903 HydrophobicContact CG2-CE1 4.01Å; V875-I912 HydrophobicContact CB-CG2 4.34Å; V875-I912 PolarHBondContact N-O 3.31Å; V875-T914 HydrophobicContact CG2-CG2 3.79Å; V875-V949 HydrophobicContact CG1-CG1 4.04Å; V875-V949 HydrophobicContact CG1-CG2 4.24Å
876	N	95.5	Very high	94	Very high	78 Å²	78	61.5 Å²	61.5	42%	0.417	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	-165.9	172.5	-143.1	-59.3	0	0	0	110	F863 I912	F863-N876 HydrophobicContact CB-CB 4.28Å; F863-N876 HydrophobicContact CD1-CB 3.37Å; F863-N876 HydrophobicContact CD2-CB 3.78Å; F863-N876 HydrophobicContact CE1-CB 3.43Å; F863-N876 VanDerWaalsContact CE1-CB 3.43Å; F863-N876 VanDerWaalsContact CE1-CG 3.45Å; F863-N876 HydrophobicContact CE2-CB 3.84Å; F863-N876 HydrophobicContact CG-CB 3.55Å; F863-N876 HydrophobicContact CZ-CB 3.67Å; N876-I912 PolarHBondContact O-N 3.36Å
877	K	94.5	Very high	93.7	Very high	94 Å²	94	62.2 Å²	62.2	41%	0.409	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.9	177.3	-177.3	173.5	-173.5	164.2	0	110.8	D909 G910	K877-D909 WeakPolarHBondContact CE-O 3.42Å; K877-D909 VanDerWaalsContact CE-OD2 3.27Å; K877-D909 WeakPolarHBondContact CE-OD2 3.41Å; K877-D909 IonicContact NZ-OD2 2.92Å; K877-D909 PolarHBondContact NZ-OD2 2.91Å; K877-G910 WeakPolarHBondContact CA-O 3.4Å
878	V	95.8	Very high	93.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.339	C	S	.	.			trans	-93.2	155.7	165.3	-66.9	0	0	0	0	110.8	F856 Y861 F863 Y893 I905 G910 I912 V930 I947	F856-V878 HydrophobicContact CD1-CB 4.47Å; F856-V878 HydrophobicContact CE1-CB 4.29Å; F856-V878 HydrophobicContact CE1-CG2 4.11Å; Y861-V878 HydrophobicContact CD1-CG1 4.1Å; Y861-V878 HydrophobicContact CD2-CG1 3.94Å; Y861-V878 HydrophobicContact CE1-CB 4.39Å; Y861-V878 HydrophobicContact CE1-CG1 4.04Å; Y861-V878 HydrophobicContact CE2-CB 4.33Å; Y861-V878 HydrophobicContact CE2-CG1 3.87Å; Y861-V878 HydrophobicContact CG-CG1 4.04Å; F863-V878 HydrophobicContact CE2-CG1 4.04Å; F863-V878 HydrophobicContact CZ-CG1 3.99Å; V878-Y893 HydrophobicContact CG2-CD1 4.06Å; V878-Y893 HydrophobicContact CG2-CE1 4.23Å; V878-I905 HydrophobicContact CG2-CD1 4.01Å; V878-G910 WeakPolarHBondContact CG2-O 3.36Å; V878-G910 PolarHBondContact N-O 3.41Å; V878-I912 HydrophobicContact CG1-CD1 4.28Å; V878-V930 HydrophobicContact CG2-CG1 4.18Å; V878-I947 HydrophobicContact CG1-CD1 3.57Å; V878-I947 HydrophobicContact CG1-CG1 4.48Å
879	L	95	Very high	93.2	Very high	87 Å²	87	60.5 Å²	60.5	46%	0.455	33%	0.33	S	S	.	.			trans	-133.5	131.2	174	-178.1	62.2	0	0	0	109.7	F856 T857 Y861	F856-L879 WeakPolarHBondContact CA-O 3.28Å; T857-L879 HydrophobicContact CG2-CB 4.11Å; T857-L879 HydrophobicContact CG2-CD2 4.04Å; T857-L879 HydrophobicContact CG2-CG 4.02Å; T857-L879 PolarHBondContact N-O 3.35Å; T857-L879 PolarHBondContact OG1-O 2.77Å; Y861-L879 PolarHBondContact OH-N 3.41Å; Y861-L879 PolarHBondContact OH-O 3.08Å; Y861-L879 VanDerWaalsContact OH-O 3.05Å
880	A	94.6	Very high	93.1	Very high	5 Å²	5	63.7 Å²	63.7	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.9	161.9	0	0	0	0	0	110.1	V855 F856 I891 Y893 A932	V855-A880 CarbonylContact O-C 3.3Å; V855-A880 WeakPolarHBondContact O-CA 3.38Å; V855-A880 WeakPolarHBondContact O-CB 3.26Å; F856-A880 HydrophobicContact CD1-CB 3.85Å; F856-A880 HydrophobicContact CE1-CB 4.15Å; F856-A880 HydrophobicContact CG-CB 4.13Å; A880-I891 HydrophobicContact CB-CD1 4.01Å; A880-I891 WeakPolarHBondContact O-CD1 3.34Å; A880-Y893 HydrophobicContact CB-CE1 3.94Å; A880-Y893 PolarHBondContact N-OH 3.29Å; A880-Y893 PolarHBondContact O-OH 3.36Å; A880-A932 HydrophobicContact CB-CB 3.92Å
881	T	94.5	Very high	93	Very high	80 Å²	80	60.8 Å²	60.8	49%	0.491	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.9	175.5	50.5	0	0	0	0	108.9	V855	V855-T881 PolarHBondContact N-O 3.29Å; V855-T881 PolarHBondContact O-N 3.11Å
882	D	94.6	Very high	93	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.16	31%	0.308	C	S	.	.			trans	-105.5	159.7	173.1	-133.8	-49.7	0	0	0	110.7	P854 A889 I891	P854-D882 VanDerWaalsContact CA-OD2 3.28Å; P854-D882 WeakPolarHBondContact CA-OD2 3.17Å; P854-D882 WeakPolarHBondContact CB-OD2 3.34Å; P854-D882 WeakPolarHBondContact CD-OD2 3.27Å; P854-D882 WeakPolarHBondContact CG-OD2 3.5Å; D882-A889 HydrophobicContact CB-CB 3.7Å; D882-I891 HydrophobicContact CB-CD1 4.1Å; D882-I891 HydrophobicContact CB-CG1 4.25Å
883	A	90.3	Very high	93.1	Very high	48 Å²	48	53.5 Å²	53.5	40%	0.397	28%	0.282	S	S	.	.	S	Bend	trans	-100	-35.5	-178.2	0	0	0	0	0	112.5	E817 N852	E817-A883 HydrophobicContact CG-CB 3.62Å; E817-A883 VanDerWaalsContact OE1-O 3.08Å; N852-A883 HydrophobicContact CB-CB 3.83Å
884	D	92.4	Very high	93.1	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.032	29%	0.292	C	S	.	.	S	Bend	trans	-60.2	-165.3	178.5	-57.5	-1.5	0	0	0	112.7	N850 D851 N852 N888 A889	N850-D884 WeakPolarHBondContact CA-OD2 3.39Å; D851-D884 PolarHBondContact N-OD2 2.64Å; N852-D884 WeakPolarHBondContact CB-OD1 3.24Å; N852-D884 PolarHBondContact N-OD1 2.78Å; N852-D884 VanDerWaalsContact N-OD1 3.13Å; N852-D884 PolarHBondContact ND2-OD1 3.46Å; D884-N888 HydrophobicContact CB-CB 3.55Å; D884-A889 WeakPolarHBondContact O-CB 3.37Å
885	S	88.1	Confident	93	Very high	26 Å²	26	52.9 Å²	52.9	18%	0.182	27%	0.274	C	S	.	.			trans	-138.5	164.8	-177.3	-71	0	0	0	0	116.6	K820 D848 K887 N888	K820-S885 PolarHBondContact NZ-OG 3.04Å; D848-S885 WeakPolarHBondContact OD1-CA 3.08Å; D848-S885 WeakPolarHBondContact OD1-CB 3.32Å; D848-S885 PolarHBondContact OD1-N 2.52Å; D848-S885 PolarHBondContact OD2-N 3.48Å; S885-K887 PolarHBondContact O-N 2.89Å; S885-N888 WeakPolarHBondContact O-CB 3.44Å; S885-N888 PolarHBondContact O-N 2.95Å
886	E	88.2	Confident	93	Very high	185 Å²	185	52.5 Å²	52.5	86%	0.864	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	-98.5	-172.9	-61.4	-164.5	175.6	0	0	114.5
887	K	88.1	Confident	92.8	Very high	128 Å²	128	53.3 Å²	53.3	56%	0.557	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-29.9	-178.3	-66.3	178.2	-174.7	167.8	0	112.6	S885 A889 E890 N935	S885-K887 PolarHBondContact O-N 2.89Å; K887-A889 PolarHBondContact O-N 2.75Å; K887-E890 PolarHBondContact O-N 2.8Å; K887-N935 HydrophobicContact CB-CB 4.33Å; K887-N935 CarbonylContact O-C 3.53Å; K887-N935 WeakPolarHBondContact O-CA 2.96Å; K887-N935 PolarHBondContact O-N 3.29Å
888	N	87.7	Confident	92.6	Very high	24 Å²	24	52 Å²	52	13%	0.128	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.2	177.9	-59.9	-8.1	0	0	0	110	D848 N850 D884 S885 D934	D848-N888 PolarHBondContact OD2-ND2 3.03Å; N850-N888 HydrophobicContact CB-CB 4.09Å; N850-N888 WeakPolarHBondContact OD1-CA 3.37Å; N850-N888 WeakPolarHBondContact OD1-CB 3.34Å; N850-N888 VanDerWaalsContact OD1-CG 3.31Å; N850-N888 PolarHBondContact OD1-OD1 3.5Å; D884-N888 HydrophobicContact CB-CB 3.55Å; S885-N888 WeakPolarHBondContact O-CB 3.44Å; S885-N888 PolarHBondContact O-N 2.95Å; N888-D934 WeakPolarHBondContact O-CB 3.38Å
889	A	90.2	Very high	92.4	Very high	31 Å²	31	52 Å²	52	26%	0.256	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	8	168.9	0	0	0	0	0	116.2	D882 D884 K887 I891	D882-A889 HydrophobicContact CB-CB 3.7Å; D884-A889 WeakPolarHBondContact O-CB 3.37Å; K887-A889 PolarHBondContact O-N 2.75Å; A889-I891 PolarHBondContact O-N 2.9Å
890	E	92.1	Very high	92.2	Very high	83 Å²	83	52.5 Å²	52.5	39%	0.388	27%	0.269	S	S	.	.			trans	-82.1	80.3	-177.9	-169.3	-155.2	165	0	0	111	K887 K892 D934 N935	K887-E890 PolarHBondContact O-N 2.8Å; E890-K892 VanDerWaalsContact CD-NZ 3.28Å; E890-K892 IonicContact OE1-NZ 2.78Å; E890-K892 PolarHBondContact OE1-NZ 3.49Å; E890-K892 IonicContact OE2-NZ 3.72Å; E890-K892 PolarHBondContact OE2-NZ 2.73Å; E890-D934 CarbonylContact O-C 3.59Å; E890-N935 HydrophobicContact CB-CB 4.41Å; E890-N935 WeakPolarHBondContact CB-ND2 3.39Å; E890-N935 WeakPolarHBondContact CG-ND2 3.45Å; E890-N935 PolarHBondContact O-ND2 3.08Å; E890-N935 PolarHBondContact OE2-ND2 3.21Å
891	I	93.8	Very high	92.1	Very high	25 Å²	25	58.2 Å²	58.2	13%	0.128	30%	0.295	C	S	.	.			trans	-64	135.9	-175.2	-60.6	168.5	0	0	0	113.2	P854 A880 D882 A889 Y893 A932 N933	P854-I891 HydrophobicContact CB-CD1 4.12Å; P854-I891 HydrophobicContact CB-CG1 4.06Å; P854-I891 HydrophobicContact CG-CG1 4.32Å; A880-I891 HydrophobicContact CB-CD1 4.01Å; A880-I891 WeakPolarHBondContact O-CD1 3.34Å; D882-I891 HydrophobicContact CB-CD1 4.1Å; D882-I891 HydrophobicContact CB-CG1 4.25Å; A889-I891 PolarHBondContact O-N 2.9Å; I891-Y893 HydrophobicContact CG2-CD1 4.41Å; I891-Y893 HydrophobicContact CG2-CD2 4.32Å; I891-Y893 HydrophobicContact CG2-CE1 3.99Å; I891-Y893 HydrophobicContact CG2-CE2 3.87Å; I891-A932 HydrophobicContact CG2-CB 3.92Å; I891-N933 CarbonylContact C-O 3.49Å; I891-N933 WeakPolarHBondContact CA-O 3.41Å
892	K	94.7	Very high	92.2	Very high	40 Å²	40	57.5 Å²	57.5	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.2	171.6	-74.9	178.8	170.2	105.3	0	110.8	E890 Q907 N933 N935	E890-K892 VanDerWaalsContact CD-NZ 3.28Å; E890-K892 IonicContact OE1-NZ 2.78Å; E890-K892 PolarHBondContact OE1-NZ 3.49Å; E890-K892 IonicContact OE2-NZ 3.72Å; E890-K892 PolarHBondContact OE2-NZ 2.73Å; K892-Q907 CarbonylContact C-O 3.57Å; K892-Q907 WeakPolarHBondContact CA-O 3.23Å; K892-Q907 HydrophobicContact CB-CG 3.85Å; K892-Q907 HydrophobicContact CG-CG 4.07Å; K892-N933 PolarHBondContact N-O 2.84Å; K892-N933 PolarHBondContact O-N 3.21Å; K892-N935 PolarHBondContact NZ-ND2 2.97Å; K892-N935 PolarHBondContact NZ-OD1 2.88Å
893	Y	97	Very high	92.3	Very high	12 Å²	12	56 Å²	56	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.8	-177.3	-58.8	-85.5	0	0	0	112.9	F856 V878 A880 I891 Q907 G910 Y931 A932	F856-Y893 HydrophobicContact CE1-CD1 4.04Å; F856-Y893 AromaticContact CE1-CE1 3.89Å; F856-Y893 HydrophobicContact CE1-CE1 3.89Å; F856-Y893 HydrophobicContact CZ-CD1 4.39Å; V878-Y893 HydrophobicContact CG2-CD1 4.06Å; V878-Y893 HydrophobicContact CG2-CE1 4.23Å; A880-Y893 HydrophobicContact CB-CE1 3.94Å; A880-Y893 PolarHBondContact N-OH 3.29Å; A880-Y893 PolarHBondContact O-OH 3.36Å; I891-Y893 HydrophobicContact CG2-CD1 4.41Å; I891-Y893 HydrophobicContact CG2-CD2 4.32Å; I891-Y893 HydrophobicContact CG2-CE1 3.99Å; I891-Y893 HydrophobicContact CG2-CE2 3.87Å; Y893-Q907 WeakPolarHBondContact CD2-O 3.41Å; Y893-Q907 PolarHBondContact N-O 2.97Å; Y893-G910 VanDerWaalsContact CD2-N 3.33Å; Y893-Y931 CarbonylContact C-O 3.47Å; Y893-Y931 WeakPolarHBondContact CA-O 3.19Å; Y893-A932 HydrophobicContact CD1-CB 4.26Å; Y893-A932 HydrophobicContact CE1-CB 4.25Å
894	Q	95.6	Very high	92.6	Very high	94 Å²	94	55.3 Å²	55.3	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.4	177.7	-58.9	-172.1	62.7	0	0	112	V930 Y931 N933	Q894-V930 CarbonylContact O-C 3.57Å; Q894-V930 WeakPolarHBondContact O-CA 3.4Å; Q894-Y931 PolarHBondContact N-O 2.91Å; Q894-Y931 PolarHBondContact O-N 2.71Å; Q894-N933 PolarHBondContact NE2-OD1 2.92Å
895	I	95.5	Very high	92.8	Very high	24 Å²	24	56.3 Å²	56.3	12%	0.123	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.3	177.8	-170.6	169.5	0	0	0	111.6	K900 F903 I905 F928 V930	I895-K900 HydrophobicContact CG2-CB 4.01Å; I895-K900 HydrophobicContact CG2-CG 4.17Å; I895-F903 HydrophobicContact CD1-CB 3.77Å; I895-I905 HydrophobicContact CB-CG2 3.85Å; I895-I905 HydrophobicContact CG2-CG2 4.02Å; I895-F928 HydrophobicContact CD1-CD2 3.7Å; I895-F928 HydrophobicContact CD1-CE2 3.46Å; I895-F928 VanDerWaalsContact CD1-CE2 3.46Å; I895-F928 HydrophobicContact CD1-CG 4.47Å; I895-F928 HydrophobicContact CD1-CZ 4.07Å; I895-F928 HydrophobicContact CG1-CD2 3.69Å; I895-F928 HydrophobicContact CG1-CE2 3.84Å; I895-V930 HydrophobicContact CG1-CG2 4.39Å
896	S	94.8	Very high	93.2	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.021	28%	0.281	C	S	.	.			trans	-63.8	155	176.8	69.3	0	0	0	0	112.4	D898 G899 K900 Q929	S896-D898 WeakPolarHBondContact CB-OD1 3.36Å; S896-D898 PolarHBondContact O-N 2.97Å; S896-D898 VanDerWaalsContact O-N 3.17Å; S896-D898 PolarHBondContact OG-OD1 2.83Å; S896-G899 PolarHBondContact O-N 2.77Å; S896-K900 VanDerWaalsContact O-CB 3.31Å; S896-K900 WeakPolarHBondContact O-CB 3.14Å; S896-K900 PolarHBondContact O-N 3.48Å; S896-Q929 WeakPolarHBondContact CB-O 3.19Å; S896-Q929 PolarHBondContact N-O 3.3Å; S896-Q929 PolarHBondContact OG-N 2.84Å; S896-Q929 PolarHBondContact OG-O 2.85Å; S896-Q929 VanDerWaalsContact OG-O 3.09Å
897	Q	91.5	Very high	93.5	Very high	95 Å²	95	53.8 Å²	53.8	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.7	-168.7	-176.7	59.3	39.5	0	0	113.6
898	D	90.2	Very high	93.7	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-32.5	174	55.2	-54.6	0	0	0	113.9	S896 Y902 F928	S896-D898 WeakPolarHBondContact CB-OD1 3.36Å; S896-D898 PolarHBondContact O-N 2.97Å; S896-D898 VanDerWaalsContact O-N 3.17Å; S896-D898 PolarHBondContact OG-OD1 2.83Å; D898-Y902 VanDerWaalsContact O-CD2 3.31Å; D898-Y902 WeakPolarHBondContact O-CD2 3.33Å; D898-Y902 WeakPolarHBondContact O-CE2 3.42Å; D898-F928 WeakPolarHBondContact OD2-CA 3.49Å; D898-F928 WeakPolarHBondContact OD2-CB 3.46Å
899	G	91.3	Very high	94	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-29.1	170.8	0	0	0	0	0	113.2	S896 E901 Y902 F903	S896-G899 PolarHBondContact O-N 2.77Å; G899-E901 VanDerWaalsContact C-N 3.26Å; G899-E901 PolarHBondContact O-N 3.33Å; G899-Y902 PolarHBondContact O-N 2.66Å; G899-Y902 VanDerWaalsContact O-N 3.1Å; G899-F903 PolarHBondContact O-N 3.44Å
900	K	92	Very high	94.2	Very high	97 Å²	97	53 Å²	53	42%	0.422	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.2	-170.3	-170.6	172.2	169.4	-170.1	0	115.4	I895 S896 K915	I895-K900 HydrophobicContact CG2-CB 4.01Å; I895-K900 HydrophobicContact CG2-CG 4.17Å; S896-K900 VanDerWaalsContact O-CB 3.31Å; S896-K900 WeakPolarHBondContact O-CB 3.14Å; S896-K900 PolarHBondContact O-N 3.48Å; K900-K915 PolarHBondContact O-NZ 3.46Å
901	E	91.9	Very high	94.5	Very high	126 Å²	126	49.5 Å²	49.5	59%	0.589	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-39.8	172.5	-64.7	-174.7	170.1	0	0	111.3	G899	G899-E901 VanDerWaalsContact C-N 3.26Å; G899-E901 PolarHBondContact O-N 3.33Å
902	Y	95.4	Very high	94.6	Very high	64 Å²	64	48.3 Å²	48.3	25%	0.251	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-30.6	-173.3	-51.3	-68.6	0	0	0	113.6	D898 G899 K915 M916 Y926	D898-Y902 VanDerWaalsContact O-CD2 3.31Å; D898-Y902 WeakPolarHBondContact O-CD2 3.33Å; D898-Y902 WeakPolarHBondContact O-CE2 3.42Å; G899-Y902 PolarHBondContact O-N 2.66Å; G899-Y902 VanDerWaalsContact O-N 3.1Å; Y902-K915 WeakPolarHBondContact O-CB 3.32Å; Y902-K915 PolarHBondContact O-N 2.78Å; Y902-M916 HydrophobicContact CD1-SD 3.74Å; Y902-M916 HydrophobicContact CE1-SD 4.27Å; Y902-Y926 HydrophobicContact CD1-CD1 4.07Å; Y902-Y926 AromaticContact CD1-CE1 3.46Å; Y902-Y926 HydrophobicContact CD1-CE1 3.46Å; Y902-Y926 VanDerWaalsContact CD1-CE1 3.46Å; Y902-Y926 AromaticContact CD2-CD1 3.76Å; Y902-Y926 HydrophobicContact CD2-CD1 3.76Å; Y902-Y926 AromaticContact CD2-CE1 3.96Å; Y902-Y926 HydrophobicContact CD2-CE1 3.96Å; Y902-Y926 HydrophobicContact CE1-CD1 4.43Å; Y902-Y926 AromaticContact CE1-CE1 3.66Å; Y902-Y926 HydrophobicContact CE1-CE1 3.66Å; Y902-Y926 HydrophobicContact CE2-CD1 4.16Å; Y902-Y926 HydrophobicContact CE2-CE1 4.16Å; Y902-Y926 AromaticContact CG-CD1 3.72Å; Y902-Y926 HydrophobicContact CG-CD1 3.72Å; Y902-Y926 AromaticContact CG-CE1 3.62Å; Y902-Y926 HydrophobicContact CG-CE1 3.62Å
903	F	97.2	Very high	94.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.1	-174.4	-54.5	-79.9	0	0	0	112.7	V875 I895 G899 I912 Y913 K915 F918 Y926 F928 V949	V875-F903 HydrophobicContact CG2-CD1 4.08Å; V875-F903 HydrophobicContact CG2-CE1 4.01Å; I895-F903 HydrophobicContact CD1-CB 3.77Å; G899-F903 PolarHBondContact O-N 3.44Å; F903-I912 HydrophobicContact CB-CG2 4.11Å; F903-I912 HydrophobicContact CD1-CG2 4.34Å; F903-I912 HydrophobicContact CG-CG2 4.42Å; F903-Y913 CarbonylContact C-O 3.53Å; F903-Y913 VanDerWaalsContact CA-O 3.3Å; F903-Y913 WeakPolarHBondContact CA-O 3.28Å; F903-K915 WeakPolarHBondContact O-CD 2.93Å; F903-K915 WeakPolarHBondContact O-CE 3.24Å; F903-F918 HydrophobicContact CD1-CE2 4.44Å; F903-F918 HydrophobicContact CD1-CZ 4.12Å; F903-F918 HydrophobicContact CE1-CE1 4.31Å; F903-F918 AromaticContact CE1-CE2 3.79Å; F903-F918 HydrophobicContact CE1-CE2 3.79Å; F903-F918 AromaticContact CE1-CZ 3.43Å; F903-F918 HydrophobicContact CE1-CZ 3.43Å; F903-F918 VanDerWaalsContact CE1-CZ 3.43Å; F903-F918 HydrophobicContact CE2-CE1 4.42Å; F903-F918 HydrophobicContact CE2-CZ 4.08Å; F903-F918 AromaticContact CZ-CE1 3.86Å; F903-F918 HydrophobicContact CZ-CE1 3.86Å; F903-F918 HydrophobicContact CZ-CE2 4.17Å; F903-F918 AromaticContact CZ-CZ 3.4Å; F903-F918 HydrophobicContact CZ-CZ 3.4Å; F903-F918 VanDerWaalsContact CZ-CZ 3.4Å; F903-Y926 HydrophobicContact CE2-CD1 4.42Å; F903-Y926 HydrophobicContact CE2-CG 4.23Å; F903-Y926 HydrophobicContact CZ-CG 4.46Å; F903-F928 AromaticContact CD2-CD1 4Å; F903-F928 HydrophobicContact CD2-CD1 4Å; F903-F928 AromaticContact CD2-CE1 3.37Å; F903-F928 HydrophobicContact CD2-CE1 3.37Å; F903-F928 AromaticContact CD2-CZ 3.87Å; F903-F928 HydrophobicContact CD2-CZ 3.87Å; F903-F928 HydrophobicContact CE2-CD1 4.12Å; F903-F928 AromaticContact CE2-CE1 3.53Å; F903-F928 HydrophobicContact CE2-CE1 3.53Å; F903-F928 HydrophobicContact CE2-CZ 4.37Å; F903-F928 HydrophobicContact CG-CE1 4.18Å; F903-F928 HydrophobicContact CG-CZ 4.26Å; F903-F928 HydrophobicContact CZ-CE1 4.42Å; F903-V949 HydrophobicContact CE1-CB 4.49Å; F903-V949 HydrophobicContact CE1-CG1 4.11Å; F903-V949 HydrophobicContact CE1-CG2 4.32Å; F903-V949 HydrophobicContact CE2-CB 4.42Å; F903-V949 HydrophobicContact CE2-CG2 4.28Å; F903-V949 HydrophobicContact CZ-CB 3.85Å; F903-V949 HydrophobicContact CZ-CG1 3.82Å; F903-V949 HydrophobicContact CZ-CG2 3.93Å
904	S	96.5	Very high	94.8	Very high	32 Å²	32	49.2 Å²	49.2	22%	0.224	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	157	165.2	58.4	0	0	0	0	109.8	I912 Y913	S904-I912 CarbonylContact O-C 3.38Å; S904-I912 VanDerWaalsContact O-CA 3.29Å; S904-I912 WeakPolarHBondContact O-CA 3.41Å; S904-Y913 PolarHBondContact N-O 2.71Å; S904-Y913 PolarHBondContact O-N 3.31Å
905	I	97.3	Very high	94.8	Very high	27 Å²	27	48.9 Å²	48.9	14%	0.138	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.8	172	-169.4	165.3	0	0	0	109.2	V878 I895 Q907 S911 I912 V930	V878-I905 HydrophobicContact CG2-CD1 4.01Å; I895-I905 HydrophobicContact CB-CG2 3.85Å; I895-I905 HydrophobicContact CG2-CG2 4.02Å; I905-Q907 PolarHBondContact O-N 3.21Å; I905-S911 CarbonylContact C-O 3.54Å; I905-S911 WeakPolarHBondContact CA-O 3.1Å; I905-I912 HydrophobicContact CB-CG1 4.17Å; I905-I912 HydrophobicContact CD1-CD1 4.17Å; I905-I912 HydrophobicContact CD1-CG1 3.78Å; I905-I912 HydrophobicContact CG1-CG1 3.8Å; I905-V930 HydrophobicContact CD1-CB 4.49Å; I905-V930 HydrophobicContact CD1-CG1 3.54Å; I905-V930 HydrophobicContact CD1-CG2 4.06Å
906	N	96.2	Very high	94.7	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	25%	0.249	S	C	.	.			trans	-76.9	118.5	171	175.5	10.3	0	0	0	109.4	L908 D909 G910 S911 Y913	N906-L908 PolarHBondContact O-N 3.35Å; N906-L908 PolarHBondContact OD1-N 3.06Å; N906-D909 VanDerWaalsContact CB-OD1 3.26Å; N906-D909 WeakPolarHBondContact CB-OD1 3.34Å; N906-D909 VanDerWaalsContact CG-OD1 3.24Å; N906-D909 PolarHBondContact ND2-OD1 3.24Å; N906-D909 PolarHBondContact O-N 3.37Å; N906-G910 PolarHBondContact O-N 3.45Å; N906-S911 PolarHBondContact N-O 2.78Å; N906-Y913 HydrophobicContact CB-CE2 4.48Å
907	Q	94.8	Very high	94.7	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.439	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.9	-173.2	-172.3	173.6	19.2	0	0	113.9	K892 Y893 I905	K892-Q907 CarbonylContact C-O 3.57Å; K892-Q907 WeakPolarHBondContact CA-O 3.23Å; K892-Q907 HydrophobicContact CB-CG 3.85Å; K892-Q907 HydrophobicContact CG-CG 4.07Å; Y893-Q907 WeakPolarHBondContact CD2-O 3.41Å; Y893-Q907 PolarHBondContact N-O 2.97Å; I905-Q907 PolarHBondContact O-N 3.21Å
908	L	92.8	Very high	94.9	Very high	125 Å²	125	51.4 Å²	51.4	65%	0.654	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-20.9	-174.6	-64	178.2	0	0	0	114.4	N906	N906-L908 PolarHBondContact O-N 3.35Å; N906-L908 PolarHBondContact OD1-N 3.06Å
909	D	93.8	Very high	95.1	Very high	43 Å²	43	51 Å²	51	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-16.8	-174.3	96.3	-42.5	0	0	0	114.7	K877 N906 S911	K877-D909 WeakPolarHBondContact CE-O 3.42Å; K877-D909 VanDerWaalsContact CE-OD2 3.27Å; K877-D909 WeakPolarHBondContact CE-OD2 3.41Å; K877-D909 IonicContact NZ-OD2 2.92Å; K877-D909 PolarHBondContact NZ-OD2 2.91Å; N906-D909 VanDerWaalsContact CB-OD1 3.26Å; N906-D909 WeakPolarHBondContact CB-OD1 3.34Å; N906-D909 VanDerWaalsContact CG-OD1 3.24Å; N906-D909 PolarHBondContact ND2-OD1 3.24Å; N906-D909 PolarHBondContact O-N 3.37Å; D909-S911 VanDerWaalsContact CG-OG 3.24Å; D909-S911 WeakPolarHBondContact OD1-CB 3.17Å; D909-S911 PolarHBondContact OD1-N 3.04Å; D909-S911 PolarHBondContact OD1-OG 2.91Å; D909-S911 VanDerWaalsContact OD1-OG 3.08Å; D909-S911 PolarHBondContact OD2-OG 2.94Å
910	G	95	Very high	95.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.			trans	84	10.7	-179.9	0	0	0	0	0	114.6	K877 V878 Y893 N906	K877-G910 WeakPolarHBondContact CA-O 3.4Å; V878-G910 WeakPolarHBondContact CG2-O 3.36Å; V878-G910 PolarHBondContact N-O 3.41Å; Y893-G910 VanDerWaalsContact CD2-N 3.33Å; N906-G910 PolarHBondContact O-N 3.45Å
911	S	97.1	Very high	95.5	Very high	8 Å²	8	50.3 Å²	50.3	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129	173.6	-66.6	0	0	0	0	111.4	I905 N906 D909 Y913	I905-S911 CarbonylContact C-O 3.54Å; I905-S911 WeakPolarHBondContact CA-O 3.1Å; N906-S911 PolarHBondContact N-O 2.78Å; D909-S911 VanDerWaalsContact CG-OG 3.24Å; D909-S911 WeakPolarHBondContact OD1-CB 3.17Å; D909-S911 PolarHBondContact OD1-N 3.04Å; D909-S911 PolarHBondContact OD1-OG 2.91Å; D909-S911 VanDerWaalsContact OD1-OG 3.08Å; D909-S911 PolarHBondContact OD2-OG 2.94Å; S911-Y913 WeakPolarHBondContact O-CE2 3.18Å
912	I	97.3	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.8	-173.8	-63.7	172	0	0	0	110.4	F863 V875 N876 V878 F903 S904 I905 V930 I947	F863-I912 HydrophobicContact CE2-CD1 4.14Å; V875-I912 HydrophobicContact CB-CG2 4.34Å; V875-I912 PolarHBondContact N-O 3.31Å; N876-I912 PolarHBondContact O-N 3.36Å; V878-I912 HydrophobicContact CG1-CD1 4.28Å; F903-I912 HydrophobicContact CB-CG2 4.11Å; F903-I912 HydrophobicContact CD1-CG2 4.34Å; F903-I912 HydrophobicContact CG-CG2 4.42Å; S904-I912 CarbonylContact O-C 3.38Å; S904-I912 VanDerWaalsContact O-CA 3.29Å; S904-I912 WeakPolarHBondContact O-CA 3.41Å; I905-I912 HydrophobicContact CB-CG1 4.17Å; I905-I912 HydrophobicContact CD1-CD1 4.17Å; I905-I912 HydrophobicContact CD1-CG1 3.78Å; I905-I912 HydrophobicContact CG1-CG1 3.8Å; I912-V930 HydrophobicContact CD1-CG2 4.41Å; I912-I947 HydrophobicContact CD1-CD1 3.4Å
913	Y	97.3	Very high	95.5	Very high	72 Å²	72	52 Å²	52	28%	0.282	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.7	-176.3	-55.1	-100.5	0	0	0	112.6	T873 L874 F903 S904 N906 S911	T873-Y913 CarbonylContact O-C 3.35Å; T873-Y913 VanDerWaalsContact O-CA 3.22Å; T873-Y913 WeakPolarHBondContact O-CA 3.46Å; L874-Y913 HydrophobicContact CB-CD1 4.01Å; L874-Y913 HydrophobicContact CB-CE1 3.88Å; L874-Y913 HydrophobicContact CD1-CD1 4.16Å; L874-Y913 HydrophobicContact CD1-CE1 3.74Å; L874-Y913 HydrophobicContact CD1-CE2 4.26Å; L874-Y913 HydrophobicContact CG-CE1 4.39Å; F903-Y913 CarbonylContact C-O 3.53Å; F903-Y913 VanDerWaalsContact CA-O 3.3Å; F903-Y913 WeakPolarHBondContact CA-O 3.28Å; S904-Y913 PolarHBondContact N-O 2.71Å; S904-Y913 PolarHBondContact O-N 3.31Å; N906-Y913 HydrophobicContact CB-CE2 4.48Å; S911-Y913 WeakPolarHBondContact O-CE2 3.18Å
914	T	97.1	Very high	95.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.1	174.9	60.9	0	0	0	0	112	V865 P870 N872 T873 V875 F918	V865-T914 HydrophobicContact CG2-CG2 4.14Å; P870-T914 PolarHBondContact O-OG1 3.24Å; N872-T914 WeakPolarHBondContact CA-O 3.42Å; N872-T914 PolarHBondContact N-O 3.28Å; N872-T914 PolarHBondContact N-OG1 2.81Å; T873-T914 PolarHBondContact N-OG1 2.94Å; T873-T914 PolarHBondContact O-N 2.86Å; V875-T914 HydrophobicContact CG2-CG2 3.79Å; T914-F918 HydrophobicContact CG2-CD2 4.1Å; T914-F918 HydrophobicContact CG2-CE2 3.71Å
915	K	95.2	Very high	95.3	Very high	87 Å²	87	57.1 Å²	57.1	38%	0.378	28%	0.28	S	S	.	.	S	Bend	trans	-99.4	-21.2	170.5	-76.4	-175.4	172.9	-178.2	0	114.5	I871 K900 Y902 F903	I871-K915 WeakPolarHBondContact CG2-O 3.42Å; K900-K915 PolarHBondContact O-NZ 3.46Å; Y902-K915 WeakPolarHBondContact O-CB 3.32Å; Y902-K915 PolarHBondContact O-N 2.78Å; F903-K915 WeakPolarHBondContact O-CD 2.93Å; F903-K915 WeakPolarHBondContact O-CE 3.24Å
916	M	93.8	Very high	95.2	Very high	82 Å²	82	56.7 Å²	56.7	40%	0.404	28%	0.276	S	S	.	.	S	Bend	trans	-132.4	169	176.5	64.7	-174.4	-68.8	0	0	109.9	Y902 F918	Y902-M916 HydrophobicContact CD1-SD 3.74Å; Y902-M916 HydrophobicContact CE1-SD 4.27Å; M916-F918 HydrophobicContact CG-CE1 4.42Å; M916-F918 HydrophobicContact CG-CE2 4.33Å; M916-F918 HydrophobicContact CG-CZ 4.22Å; M916-F918 WeakPolarHBondContact O-CD2 3.1Å
917	I	95.6	Very high	95.2	Very high	89 Å²	89	60.8 Å²	60.8	46%	0.456	29%	0.287	S	S	.	.			trans	-77.1	135.6	165.2	-56.3	176.9	0	0	0	106.8	I871	I871-I917 HydrophobicContact CG1-CG1 4.22Å
918	F	94.9	Very high	95.3	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.013	27%	0.267	C	S	.	.			trans	-99.9	154.6	178.4	-68.5	-90.8	0	0	0	111	E867 N868 F903 T914 M916 Y926 I951	E867-F918 WeakPolarHBondContact CB-O 3.49Å; N868-F918 PolarHBondContact N-O 2.91Å; F903-F918 HydrophobicContact CD1-CE2 4.44Å; F903-F918 HydrophobicContact CD1-CZ 4.12Å; F903-F918 HydrophobicContact CE1-CE1 4.31Å; F903-F918 AromaticContact CE1-CE2 3.79Å; F903-F918 HydrophobicContact CE1-CE2 3.79Å; F903-F918 AromaticContact CE1-CZ 3.43Å; F903-F918 HydrophobicContact CE1-CZ 3.43Å; F903-F918 VanDerWaalsContact CE1-CZ 3.43Å; F903-F918 HydrophobicContact CE2-CE1 4.42Å; F903-F918 HydrophobicContact CE2-CZ 4.08Å; F903-F918 AromaticContact CZ-CE1 3.86Å; F903-F918 HydrophobicContact CZ-CE1 3.86Å; F903-F918 HydrophobicContact CZ-CE2 4.17Å; F903-F918 AromaticContact CZ-CZ 3.4Å; F903-F918 HydrophobicContact CZ-CZ 3.4Å; F903-F918 VanDerWaalsContact CZ-CZ 3.4Å; T914-F918 HydrophobicContact CG2-CD2 4.1Å; T914-F918 HydrophobicContact CG2-CE2 3.71Å; M916-F918 HydrophobicContact CG-CE1 4.42Å; M916-F918 HydrophobicContact CG-CE2 4.33Å; M916-F918 HydrophobicContact CG-CZ 4.22Å; M916-F918 WeakPolarHBondContact O-CD2 3.1Å; F918-Y926 HydrophobicContact CD1-CD2 4.26Å; F918-Y926 HydrophobicContact CD1-CE1 4.4Å; F918-Y926 AromaticContact CD1-CE2 3.55Å; F918-Y926 HydrophobicContact CD1-CE2 3.55Å; F918-Y926 AromaticContact CD1-CZ 3.61Å; F918-Y926 HydrophobicContact CE1-CD1 4.27Å; F918-Y926 HydrophobicContact CE1-CD2 4.08Å; F918-Y926 AromaticContact CE1-CE1 3.87Å; F918-Y926 HydrophobicContact CE1-CE1 3.87Å; F918-Y926 AromaticContact CE1-CE2 3.67Å; F918-Y926 HydrophobicContact CE1-CE2 3.67Å; F918-Y926 HydrophobicContact CE1-CG 4.36Å; F918-Y926 AromaticContact CE1-CZ 3.55Å; F918-I951 HydrophobicContact CB-CD1 3.78Å; F918-I951 HydrophobicContact CB-CG1 4.2Å; F918-I951 HydrophobicContact CB-CG2 4.23Å; F918-I951 HydrophobicContact CD1-CD1 3.64Å; F918-I951 HydrophobicContact CD1-CG1 4.28Å; F918-I951 HydrophobicContact CD2-CD1 4.38Å; F918-I951 HydrophobicContact CE1-CD1 4.31Å; F918-I951 HydrophobicContact CG-CD1 3.67Å; F918-I951 HydrophobicContact CG-CG1 4.47Å
919	D	95.6	Very high	95.4	Very high	58 Å²	58	53.6 Å²	53.6	31%	0.31	25%	0.25	S	C	.	.			trans	-142	121.9	-173.8	161.1	-37.2	0	0	0	104.7	E921 L922 K923	D919-E921 PolarHBondContact OD1-N 2.82Å; D919-L922 HydrophobicContact CB-CD1 4.27Å; D919-L922 VanDerWaalsContact OD1-CB 3.23Å; D919-L922 WeakPolarHBondContact OD1-CB 3.41Å; D919-L922 VanDerWaalsContact OD1-CG 3.22Å; D919-L922 WeakPolarHBondContact OD1-CG 3.46Å; D919-L922 PolarHBondContact OD1-N 2.84Å; D919-L922 VanDerWaalsContact OD2-CD1 3.28Å; D919-L922 WeakPolarHBondContact OD2-CD1 3.09Å; D919-L922 WeakPolarHBondContact OD2-CG 3.41Å; D919-K923 PolarHBondContact O-N 2.87Å
920	R	96.3	Very high	95.5	Very high	27 Å²	27	51.5 Å²	51.5	10%	0.102	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-31.3	-169.2	-177.1	-137.2	60.1	99.1	-6.9	111.4	E867 L922 K923 Q924 I951 D953 N992 I994	E867-R920 WeakPolarHBondContact OE2-CB 3.12Å; E867-R920 PolarHBondContact OE2-N 2.63Å; R920-L922 VanDerWaalsContact C-N 3.31Å; R920-L922 PolarHBondContact O-N 3.08Å; R920-K923 CarbonylContact O-C 3.59Å; R920-K923 PolarHBondContact O-N 3.2Å; R920-Q924 HydrophobicContact CG-CB 4.11Å; R920-Q924 HydrophobicContact CG-CG 4.01Å; R920-Q924 PolarHBondContact O-N 3.27Å; R920-I951 HydrophobicContact CB-CB 4.38Å; R920-I951 HydrophobicContact CB-CG2 3.96Å; R920-I951 HydrophobicContact CG-CB 4.47Å; R920-I951 HydrophobicContact CG-CG2 4.49Å; R920-D953 WeakPolarHBondContact CD-OD1 3.44Å; R920-D953 IonicContact CZ-OD1 3.37Å; R920-D953 IonicContact NE-OD1 3.48Å; R920-D953 PolarHBondContact NE-OD1 3.31Å; R920-D953 IonicContact NH2-OD1 2.7Å; R920-N992 PolarHBondContact NH2-O 2.81Å; R920-I994 VanDerWaalsContact NH1-CG2 3.33Å
921	E	95.1	Very high	95.6	Very high	55 Å²	55	53.7 Å²	53.7	26%	0.257	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.9	176.5	-66.3	61.1	-122.3	0	0	111.1	D919 N957 N992	D919-E921 PolarHBondContact OD1-N 2.82Å; E921-N957 VanDerWaalsContact CD-ND2 3.3Å; E921-N957 WeakPolarHBondContact CG-ND2 3.4Å; E921-N992 HydrophobicContact CG-CB 3.68Å
922	L	94.1	Very high	95.5	Very high	144 Å²	144	53.3 Å²	53.3	75%	0.754	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-45.7	173	-70.1	179.4	0	0	0	112.1	D919 R920	D919-L922 HydrophobicContact CB-CD1 4.27Å; D919-L922 VanDerWaalsContact OD1-CB 3.23Å; D919-L922 WeakPolarHBondContact OD1-CB 3.41Å; D919-L922 VanDerWaalsContact OD1-CG 3.22Å; D919-L922 WeakPolarHBondContact OD1-CG 3.46Å; D919-L922 PolarHBondContact OD1-N 2.84Å; D919-L922 VanDerWaalsContact OD2-CD1 3.28Å; D919-L922 WeakPolarHBondContact OD2-CD1 3.09Å; D919-L922 WeakPolarHBondContact OD2-CG 3.41Å; R920-L922 VanDerWaalsContact C-N 3.31Å; R920-L922 PolarHBondContact O-N 3.08Å
923	K	93.7	Very high	95.4	Very high	82 Å²	82	54.6 Å²	54.6	36%	0.357	25%	0.252	S	S	.	.			trans	-162.6	105.4	179.7	-174.1	172.8	166	-168.1	0	114.3	D919 R920 N925 Y926	D919-K923 PolarHBondContact O-N 2.87Å; R920-K923 CarbonylContact O-C 3.59Å; R920-K923 PolarHBondContact O-N 3.2Å; K923-N925 WeakPolarHBondContact CE-O 3.19Å; K923-Y926 HydrophobicContact CB-CE2 4.12Å; K923-Y926 HydrophobicContact CD-CD1 4.22Å; K923-Y926 HydrophobicContact CD-CE1 3.69Å; K923-Y926 HydrophobicContact CD-CE2 4.01Å; K923-Y926 HydrophobicContact CG-CD2 4.39Å; K923-Y926 HydrophobicContact CG-CE1 4.43Å; K923-Y926 HydrophobicContact CG-CE2 3.84Å; K923-Y926 VanDerWaalsContact NZ-CD1 3.29Å; K923-Y926 VanDerWaalsContact O-CE2 3.24Å; K923-Y926 WeakPolarHBondContact O-CE2 3.46Å
924	Q	93.7	Very high	95.2	Very high	75 Å²	75	51.3 Å²	51.3	35%	0.35	24%	0.239	S	C	.	.	S	Bend	trans	-67.9	-36	177.3	-170.2	-176.5	34.9	0	0	115.8	R920 T950 I951	R920-Q924 HydrophobicContact CG-CB 4.11Å; R920-Q924 HydrophobicContact CG-CG 4.01Å; R920-Q924 PolarHBondContact O-N 3.27Å; Q924-T950 HydrophobicContact CG-CG2 4.22Å; Q924-I951 WeakPolarHBondContact O-CG1 3.26Å; Q924-I951 PolarHBondContact O-N 2.79Å
925	N	94.9	Very high	94.8	Very high	65 Å²	65	53.4 Å²	53.4	35%	0.348	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.7	-167.4	-66.7	-62.4	0	0	0	113.6	K923 T950	K923-N925 WeakPolarHBondContact CE-O 3.19Å; N925-T950 WeakPolarHBondContact OD1-CB 3.43Å; N925-T950 WeakPolarHBondContact OD1-CG2 3.48Å; N925-T950 PolarHBondContact OD1-OG1 3.15Å
926	Y	95.5	Very high	94.1	Very high	17 Å²	17	49.3 Å²	49.3	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.4	179.1	-67.9	-103	0	0	0	110.6	Y902 F903 F918 K923 V949 I951	Y902-Y926 HydrophobicContact CD1-CD1 4.07Å; Y902-Y926 AromaticContact CD1-CE1 3.46Å; Y902-Y926 HydrophobicContact CD1-CE1 3.46Å; Y902-Y926 VanDerWaalsContact CD1-CE1 3.46Å; Y902-Y926 AromaticContact CD2-CD1 3.76Å; Y902-Y926 HydrophobicContact CD2-CD1 3.76Å; Y902-Y926 AromaticContact CD2-CE1 3.96Å; Y902-Y926 HydrophobicContact CD2-CE1 3.96Å; Y902-Y926 HydrophobicContact CE1-CD1 4.43Å; Y902-Y926 AromaticContact CE1-CE1 3.66Å; Y902-Y926 HydrophobicContact CE1-CE1 3.66Å; Y902-Y926 HydrophobicContact CE2-CD1 4.16Å; Y902-Y926 HydrophobicContact CE2-CE1 4.16Å; Y902-Y926 AromaticContact CG-CD1 3.72Å; Y902-Y926 HydrophobicContact CG-CD1 3.72Å; Y902-Y926 AromaticContact CG-CE1 3.62Å; Y902-Y926 HydrophobicContact CG-CE1 3.62Å; F903-Y926 HydrophobicContact CE2-CD1 4.42Å; F903-Y926 HydrophobicContact CE2-CG 4.23Å; F903-Y926 HydrophobicContact CZ-CG 4.46Å; F918-Y926 HydrophobicContact CD1-CD2 4.26Å; F918-Y926 HydrophobicContact CD1-CE1 4.4Å; F918-Y926 AromaticContact CD1-CE2 3.55Å; F918-Y926 HydrophobicContact CD1-CE2 3.55Å; F918-Y926 AromaticContact CD1-CZ 3.61Å; F918-Y926 HydrophobicContact CE1-CD1 4.27Å; F918-Y926 HydrophobicContact CE1-CD2 4.08Å; F918-Y926 AromaticContact CE1-CE1 3.87Å; F918-Y926 HydrophobicContact CE1-CE1 3.87Å; F918-Y926 AromaticContact CE1-CE2 3.67Å; F918-Y926 HydrophobicContact CE1-CE2 3.67Å; F918-Y926 HydrophobicContact CE1-CG 4.36Å; F918-Y926 AromaticContact CE1-CZ 3.55Å; K923-Y926 HydrophobicContact CB-CE2 4.12Å; K923-Y926 HydrophobicContact CD-CD1 4.22Å; K923-Y926 HydrophobicContact CD-CE1 3.69Å; K923-Y926 HydrophobicContact CD-CE2 4.01Å; K923-Y926 HydrophobicContact CG-CD2 4.39Å; K923-Y926 HydrophobicContact CG-CE1 4.43Å; K923-Y926 HydrophobicContact CG-CE2 3.84Å; K923-Y926 VanDerWaalsContact NZ-CD1 3.29Å; K923-Y926 VanDerWaalsContact O-CE2 3.24Å; K923-Y926 WeakPolarHBondContact O-CE2 3.46Å; Y926-V949 PolarHBondContact N-O 3.14Å; Y926-V949 PolarHBondContact O-N 2.9Å; Y926-I951 HydrophobicContact CD2-CD1 4.14Å; Y926-I951 HydrophobicContact CD2-CG1 4.12Å; Y926-I951 HydrophobicContact CE2-CD1 4.14Å; Y926-I951 HydrophobicContact CE2-CG1 3.92Å
927	R	95.9	Very high	93.1	Very high	151 Å²	151	52.5 Å²	52.5	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.3	176	-179.3	172.9	167.8	154.9	-1.3	110.5	Y860 T946 I947	Y860-R927 PolarHBondContact OH-NH1 2.58Å; R927-T946 HydrophobicContact CG-CG2 3.85Å; R927-I947 VanDerWaalsContact CA-O 3.29Å; R927-I947 WeakPolarHBondContact CA-O 3.19Å
928	F	96.2	Very high	91.8	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	179.1	179	59.1	-90	0	0	0	110.7	I895 D898 F903 V930 I947 V949	I895-F928 HydrophobicContact CD1-CD2 3.7Å; I895-F928 HydrophobicContact CD1-CE2 3.46Å; I895-F928 VanDerWaalsContact CD1-CE2 3.46Å; I895-F928 HydrophobicContact CD1-CG 4.47Å; I895-F928 HydrophobicContact CD1-CZ 4.07Å; I895-F928 HydrophobicContact CG1-CD2 3.69Å; I895-F928 HydrophobicContact CG1-CE2 3.84Å; D898-F928 WeakPolarHBondContact OD2-CA 3.49Å; D898-F928 WeakPolarHBondContact OD2-CB 3.46Å; F903-F928 AromaticContact CD2-CD1 4Å; F903-F928 HydrophobicContact CD2-CD1 4Å; F903-F928 AromaticContact CD2-CE1 3.37Å; F903-F928 HydrophobicContact CD2-CE1 3.37Å; F903-F928 AromaticContact CD2-CZ 3.87Å; F903-F928 HydrophobicContact CD2-CZ 3.87Å; F903-F928 HydrophobicContact CE2-CD1 4.12Å; F903-F928 AromaticContact CE2-CE1 3.53Å; F903-F928 HydrophobicContact CE2-CE1 3.53Å; F903-F928 HydrophobicContact CE2-CZ 4.37Å; F903-F928 HydrophobicContact CG-CE1 4.18Å; F903-F928 HydrophobicContact CG-CZ 4.26Å; F903-F928 HydrophobicContact CZ-CE1 4.42Å; F928-V930 HydrophobicContact CD2-CG2 4.2Å; F928-V930 HydrophobicContact CE2-CG2 3.85Å; F928-I947 HydrophobicContact CD2-CB 4.36Å; F928-I947 HydrophobicContact CE1-CB 4.45Å; F928-I947 HydrophobicContact CE1-CG2 4.35Å; F928-I947 HydrophobicContact CE2-CB 3.96Å; F928-I947 HydrophobicContact CE2-CD1 3.99Å; F928-I947 HydrophobicContact CE2-CG1 4.34Å; F928-I947 HydrophobicContact CE2-CG2 4.34Å; F928-I947 HydrophobicContact CZ-CB 4.01Å; F928-I947 HydrophobicContact CZ-CD1 4.42Å; F928-I947 HydrophobicContact CZ-CG2 3.92Å; F928-I947 PolarHBondContact N-O 3.4Å; F928-I947 PolarHBondContact O-N 3.23Å; F928-V949 HydrophobicContact CE1-CG2 3.75Å; F928-V949 HydrophobicContact CZ-CG2 4.17Å
929	Q	95.9	Very high	91	Very high	63 Å²	63	59 Å²	59	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.4	175.6	-67.6	-157	-28.9	0	0	112.9	S896 T944 T945 T946	S896-Q929 WeakPolarHBondContact CB-O 3.19Å; S896-Q929 PolarHBondContact N-O 3.3Å; S896-Q929 PolarHBondContact OG-N 2.84Å; S896-Q929 PolarHBondContact OG-O 2.85Å; S896-Q929 VanDerWaalsContact OG-O 3.09Å; Q929-T944 PolarHBondContact OE1-OG1 3.3Å; Q929-T945 WeakPolarHBondContact CA-O 3.34Å; Q929-T946 PolarHBondContact NE2-OG1 2.86Å
930	V	96.6	Very high	90.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.9	170.9	171.3	0	0	0	0	109	F856 V878 Q894 I895 I905 I912 F928 T944 T945 I947	F856-V930 HydrophobicContact CE1-CG1 4.32Å; F856-V930 WeakPolarHBondContact CE2-O 3.46Å; F856-V930 HydrophobicContact CZ-CG1 4.05Å; F856-V930 WeakPolarHBondContact CZ-O 3Å; V878-V930 HydrophobicContact CG2-CG1 4.18Å; Q894-V930 CarbonylContact O-C 3.57Å; Q894-V930 WeakPolarHBondContact O-CA 3.4Å; I895-V930 HydrophobicContact CG1-CG2 4.39Å; I905-V930 HydrophobicContact CD1-CB 4.49Å; I905-V930 HydrophobicContact CD1-CG1 3.54Å; I905-V930 HydrophobicContact CD1-CG2 4.06Å; I912-V930 HydrophobicContact CD1-CG2 4.41Å; F928-V930 HydrophobicContact CD2-CG2 4.2Å; F928-V930 HydrophobicContact CE2-CG2 3.85Å; V930-T944 WeakPolarHBondContact O-CA 3.47Å; V930-T945 HydrophobicContact CB-CG2 4.22Å; V930-T945 PolarHBondContact N-O 3.22Å; V930-T945 PolarHBondContact O-N 3.08Å; V930-I947 HydrophobicContact CB-CD1 3.97Å; V930-I947 HydrophobicContact CG2-CD1 3.39Å; V930-I947 HydrophobicContact CG2-CG1 4.21Å
931	Y	95.9	Very high	90.3	Very high	45 Å²	45	59.8 Å²	59.8	18%	0.176	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	142.1	175.3	-53.3	-79.4	0	0	0	109.8	Y893 Q894 T942 T943 Y1363	Y893-Y931 CarbonylContact C-O 3.47Å; Y893-Y931 WeakPolarHBondContact CA-O 3.19Å; Q894-Y931 PolarHBondContact N-O 2.91Å; Q894-Y931 PolarHBondContact O-N 2.71Å; Y931-T942 HydrophobicContact CD1-CG2 4.3Å; Y931-T943 CarbonylContact C-O 3.55Å; Y931-T943 VanDerWaalsContact CA-O 3.28Å; Y931-T943 WeakPolarHBondContact CA-O 3.48Å; Y931-Y1363 PolarHBondContact OH-OH 3.44Å
932	A	96.1	Very high	90.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.1	162.6	0	0	0	0	0	107.1	P854 F856 A880 I891 Y893 T942 T943	P854-A932 HydrophobicContact CB-CB 3.8Å; P854-A932 HydrophobicContact CG-CB 4.49Å; F856-A932 HydrophobicContact CD2-CB 4.49Å; F856-A932 HydrophobicContact CE1-CB 4.13Å; F856-A932 HydrophobicContact CE2-CB 3.67Å; F856-A932 HydrophobicContact CZ-CB 3.46Å; F856-A932 VanDerWaalsContact CZ-CB 3.46Å; A880-A932 HydrophobicContact CB-CB 3.92Å; I891-A932 HydrophobicContact CG2-CB 3.92Å; Y893-A932 HydrophobicContact CD1-CB 4.26Å; Y893-A932 HydrophobicContact CE1-CB 4.25Å; A932-T942 VanDerWaalsContact O-CA 3.31Å; A932-T942 WeakPolarHBondContact O-CA 3.4Å; A932-T943 PolarHBondContact N-O 3.27Å; A932-T943 PolarHBondContact O-N 2.8Å
933	N	93.9	Very high	90.1	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.15	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144	175.7	-53.5	85.3	0	0	0	108.4	I891 K892 Q894 T942	I891-N933 CarbonylContact C-O 3.49Å; I891-N933 WeakPolarHBondContact CA-O 3.41Å; K892-N933 PolarHBondContact N-O 2.84Å; K892-N933 PolarHBondContact O-N 3.21Å; Q894-N933 PolarHBondContact NE2-OD1 2.92Å; N933-T942 VanDerWaalsContact ND2-CG2 3.32Å; N933-T942 WeakPolarHBondContact ND2-CG2 3.36Å; N933-T942 PolarHBondContact ND2-OG1 2.92Å
934	D	94	Very high	90.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	28%	0.281	C	S	.	.			trans	-77.2	-161.3	166.9	56.7	38.5	0	0	0	112.1	N850 P854 N888 E890 G936 S940 L941	N850-D934 PolarHBondContact ND2-OD2 2.73Å; N850-D934 PolarHBondContact OD1-OD2 2.75Å; P854-D934 HydrophobicContact CG-CB 4.24Å; N888-D934 WeakPolarHBondContact O-CB 3.38Å; E890-D934 CarbonylContact O-C 3.59Å; D934-G936 PolarHBondContact OD1-N 3.32Å; D934-S940 WeakPolarHBondContact OD1-CA 3.24Å; D934-S940 WeakPolarHBondContact OD1-CB 3.09Å; D934-S940 PolarHBondContact OD1-OG 3.15Å; D934-L941 PolarHBondContact N-O 3.07Å; D934-L941 PolarHBondContact OD1-N 2.96Å; D934-L941 WeakPolarHBondContact OD2-CA 3.46Å; D934-L941 VanDerWaalsContact OD2-CB 3.27Å; D934-L941 WeakPolarHBondContact OD2-CB 3.35Å; D934-L941 PolarHBondContact OD2-N 2.79Å
935	N	87.7	Confident	90.3	Very high	44 Å²	44	50.9 Å²	50.9	24%	0.235	26%	0.264	C	S	.	.			trans	-121.3	37	158.9	-67.1	-89	0	0	0	112.7	K887 E890 K892	K887-N935 HydrophobicContact CB-CB 4.33Å; K887-N935 CarbonylContact O-C 3.53Å; K887-N935 WeakPolarHBondContact O-CA 2.96Å; K887-N935 PolarHBondContact O-N 3.29Å; E890-N935 HydrophobicContact CB-CB 4.41Å; E890-N935 WeakPolarHBondContact CB-ND2 3.39Å; E890-N935 WeakPolarHBondContact CG-ND2 3.45Å; E890-N935 PolarHBondContact O-ND2 3.08Å; E890-N935 PolarHBondContact OE2-ND2 3.21Å; K892-N935 PolarHBondContact NZ-ND2 2.97Å; K892-N935 PolarHBondContact NZ-OD1 2.88Å
936	G	81.5	Confident	90.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.			trans	-54.4	145	178.1	0	0	0	0	0	114.3	N850 D934 I939	N850-G936 WeakPolarHBondContact OD1-CA 3.44Å; N850-G936 PolarHBondContact OD1-N 3.24Å; D934-G936 PolarHBondContact OD1-N 3.32Å; G936-I939 CarbonylContact C-O 3.56Å; G936-I939 WeakPolarHBondContact CA-O 3.38Å; G936-I939 CarbonylContact O-C 3.59Å
937	Q	71.9	Confident	90.4	Very high	150 Å²	150	47.8 Å²	47.8	70%	0.701	25%	0.249	S	C	*	.	S	Bend	trans	-136.1	133.1	174.5	-65.6	-68.7	-80.9	0	0	109.2
938	P	68.9	Low	90.4	Very high	111 Å²	111	43.1 Å²	43.1	72%	0.721	23%	0.234	S	C	*	.	S	Bend	cis	-83.4	-11.9	9.3	33.9	-37	0	0	0	115
939	I	78.2	Confident	90.4	Very high	118 Å²	118	42.9 Å²	42.9	61%	0.605	23%	0.233	S	C	*	.			trans	-117.2	139.4	178	-63	170.9	0	0	0	107.6	G936	G936-I939 CarbonylContact C-O 3.56Å; G936-I939 WeakPolarHBondContact CA-O 3.38Å; G936-I939 CarbonylContact O-C 3.59Å
940	S	86.4	Confident	90.5	Very high	50 Å²	50	41.4 Å²	41.4	35%	0.35	23%	0.228	S	C	.	.			trans	-99.1	127.6	167.9	169.4	0	0	0	0	108.5	D934	D934-S940 WeakPolarHBondContact OD1-CA 3.24Å; D934-S940 WeakPolarHBondContact OD1-CB 3.09Å; D934-S940 PolarHBondContact OD1-OG 3.15Å
941	L	90	Very high	90.5	Very high	50 Å²	50	41.4 Å²	41.4	26%	0.262	23%	0.229	S	C	.	.			trans	-83.3	160.9	173.2	-61.8	177.6	0	0	0	110.3	N850 N852 P853 D934	N850-L941 WeakPolarHBondContact ND2-CD1 3.1Å; N850-L941 WeakPolarHBondContact ND2-CG 3.22Å; N850-L941 WeakPolarHBondContact O-CD1 3.35Å; N852-L941 WeakPolarHBondContact O-CD1 3.34Å; P853-L941 HydrophobicContact CB-CB 3.96Å; P853-L941 HydrophobicContact CB-CD1 4.28Å; D934-L941 PolarHBondContact N-O 3.07Å; D934-L941 PolarHBondContact OD1-N 2.96Å; D934-L941 WeakPolarHBondContact OD2-CA 3.46Å; D934-L941 VanDerWaalsContact OD2-CB 3.27Å; D934-L941 WeakPolarHBondContact OD2-CB 3.35Å; D934-L941 PolarHBondContact OD2-N 2.79Å
942	T	92.3	Very high	90.5	Very high	66 Å²	66	42.8 Å²	42.8	41%	0.405	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	129.8	-169.4	-57	0	0	0	0	111.6	Y931 A932 N933	Y931-T942 HydrophobicContact CD1-CG2 4.3Å; A932-T942 VanDerWaalsContact O-CA 3.31Å; A932-T942 WeakPolarHBondContact O-CA 3.4Å; N933-T942 VanDerWaalsContact ND2-CG2 3.32Å; N933-T942 WeakPolarHBondContact ND2-CG2 3.36Å; N933-T942 PolarHBondContact ND2-OG1 2.92Å
943	T	93.3	Very high	90.4	Very high	40 Å²	40	43.9 Å²	43.9	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.9	174	-56.8	0	0	0	0	110.1	P854 F856 Y931 A932	P854-T943 WeakPolarHBondContact O-CB 3.23Å; P854-T943 PolarHBondContact O-OG1 3.12Å; F856-T943 HydrophobicContact CD2-CG2 4.1Å; Y931-T943 CarbonylContact C-O 3.55Å; Y931-T943 VanDerWaalsContact CA-O 3.28Å; Y931-T943 WeakPolarHBondContact CA-O 3.48Å; A932-T943 PolarHBondContact N-O 3.27Å; A932-T943 PolarHBondContact O-N 2.8Å
944	T	95.4	Very high	90.4	Very high	62 Å²	62	44.8 Å²	44.8	38%	0.38	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.3	176.1	176.7	0	0	0	0	111	Q929 V930	Q929-T944 PolarHBondContact OE1-OG1 3.3Å; V930-T944 WeakPolarHBondContact O-CA 3.47Å
945	T	95.8	Very high	90.5	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.4	167.1	-171.2	0	0	0	0	109.7	F856 K858 D859 Y861 Q929 V930 I947	F856-T945 HydrophobicContact CD1-CG2 3.62Å; F856-T945 HydrophobicContact CD2-CG2 3.79Å; F856-T945 HydrophobicContact CE1-CG2 3.58Å; F856-T945 HydrophobicContact CE2-CG2 3.75Å; F856-T945 HydrophobicContact CG-CG2 3.72Å; F856-T945 HydrophobicContact CZ-CG2 3.64Å; K858-T945 PolarHBondContact O-OG1 3.39Å; D859-T945 VanDerWaalsContact C-OG1 3.3Å; D859-T945 PolarHBondContact O-OG1 2.91Å; D859-T945 VanDerWaalsContact O-OG1 3.13Å; Y861-T945 HydrophobicContact CD2-CG2 4.02Å; Y861-T945 WeakPolarHBondContact CD2-OG1 3.47Å; Y861-T945 HydrophobicContact CE2-CG2 3.87Å; Y861-T945 WeakPolarHBondContact CE2-OG1 3.26Å; Q929-T945 WeakPolarHBondContact CA-O 3.34Å; V930-T945 HydrophobicContact CB-CG2 4.22Å; V930-T945 PolarHBondContact N-O 3.22Å; V930-T945 PolarHBondContact O-N 3.08Å; T945-I947 HydrophobicContact CG2-CG1 4.45Å
946	T	96.2	Very high	90.7	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.104	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.8	177.2	-56.2	0	0	0	0	110.6	D859 Y860 Y861 R927 Q929	D859-T946 PolarHBondContact O-N 3.32Å; Y860-T946 WeakPolarHBondContact CA-O 3.49Å; Y860-T946 HydrophobicContact CD2-CG2 4.08Å; Y860-T946 HydrophobicContact CE2-CG2 3.64Å; Y861-T946 PolarHBondContact N-O 2.72Å; R927-T946 HydrophobicContact CG-CG2 3.85Å; Q929-T946 PolarHBondContact NE2-OG1 2.86Å
947	I	96.4	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.2	179.8	-50.5	-171.3	0	0	0	108.8	Y861 F863 V878 I912 R927 F928 V930 T945 V949	Y861-I947 WeakPolarHBondContact O-CA 3.18Å; F863-I947 HydrophobicContact CD2-CG2 3.53Å; F863-I947 HydrophobicContact CE2-CD1 4.21Å; F863-I947 HydrophobicContact CE2-CG2 3.8Å; F863-I947 HydrophobicContact CG-CG2 4.49Å; V878-I947 HydrophobicContact CG1-CD1 3.57Å; V878-I947 HydrophobicContact CG1-CG1 4.48Å; I912-I947 HydrophobicContact CD1-CD1 3.4Å; R927-I947 VanDerWaalsContact CA-O 3.29Å; R927-I947 WeakPolarHBondContact CA-O 3.19Å; F928-I947 HydrophobicContact CD2-CB 4.36Å; F928-I947 HydrophobicContact CE1-CB 4.45Å; F928-I947 HydrophobicContact CE1-CG2 4.35Å; F928-I947 HydrophobicContact CE2-CB 3.96Å; F928-I947 HydrophobicContact CE2-CD1 3.99Å; F928-I947 HydrophobicContact CE2-CG1 4.34Å; F928-I947 HydrophobicContact CE2-CG2 4.34Å; F928-I947 HydrophobicContact CZ-CB 4.01Å; F928-I947 HydrophobicContact CZ-CD1 4.42Å; F928-I947 HydrophobicContact CZ-CG2 3.92Å; F928-I947 PolarHBondContact N-O 3.4Å; F928-I947 PolarHBondContact O-N 3.23Å; V930-I947 HydrophobicContact CB-CD1 3.97Å; V930-I947 HydrophobicContact CG2-CD1 3.39Å; V930-I947 HydrophobicContact CG2-CG1 4.21Å; T945-I947 HydrophobicContact CG2-CG1 4.45Å; I947-V949 HydrophobicContact CG2-CG2 4.12Å
948	E	96.6	Very high	92.4	Very high	53 Å²	53	42.1 Å²	42.1	25%	0.248	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.3	171	-176.2	156	-122.1	0	0	108.7	Y860 Y861 N862 F863	Y860-E948 HydrophobicContact CE1-CB 4.33Å; Y860-E948 VanDerWaalsContact OH-CD 3.25Å; Y860-E948 PolarHBondContact OH-OE2 3.4Å; Y861-E948 PolarHBondContact O-N 3.18Å; N862-E948 WeakPolarHBondContact CA-O 3.37Å; F863-E948 PolarHBondContact N-O 2.93Å
949	V	96.4	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.4	176.2	-175.8	0	0	0	0	108.2	F863 V865 V875 F903 Y926 F928 I947 I951	F863-V949 HydrophobicContact CB-CG2 4.39Å; F863-V949 WeakPolarHBondContact O-CA 3.24Å; V865-V949 HydrophobicContact CG1-CG1 3.82Å; V875-V949 HydrophobicContact CG1-CG1 4.04Å; V875-V949 HydrophobicContact CG1-CG2 4.24Å; F903-V949 HydrophobicContact CE1-CB 4.49Å; F903-V949 HydrophobicContact CE1-CG1 4.11Å; F903-V949 HydrophobicContact CE1-CG2 4.32Å; F903-V949 HydrophobicContact CE2-CB 4.42Å; F903-V949 HydrophobicContact CE2-CG2 4.28Å; F903-V949 HydrophobicContact CZ-CB 3.85Å; F903-V949 HydrophobicContact CZ-CG1 3.82Å; F903-V949 HydrophobicContact CZ-CG2 3.93Å; Y926-V949 PolarHBondContact N-O 3.14Å; Y926-V949 PolarHBondContact O-N 2.9Å; F928-V949 HydrophobicContact CE1-CG2 3.75Å; F928-V949 HydrophobicContact CZ-CG2 4.17Å; I947-V949 HydrophobicContact CG2-CG2 4.12Å; V949-I951 HydrophobicContact CG1-CD1 4.48Å
950	T	96.9	Very high	94.4	Very high	31 Å²	31	36.7 Å²	36.7	19%	0.19	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.3	172.4	-62.3	0	0	0	0	109.5	F863 F864 V865 Q924 N925	F863-T950 PolarHBondContact O-N 3.25Å; F864-T950 WeakPolarHBondContact CA-O 3.25Å; F864-T950 HydrophobicContact CD1-CG2 4.22Å; F864-T950 HydrophobicContact CE1-CG2 4.3Å; V865-T950 PolarHBondContact N-O 3.46Å; Q924-T950 HydrophobicContact CG-CG2 4.22Å; N925-T950 WeakPolarHBondContact OD1-CB 3.43Å; N925-T950 WeakPolarHBondContact OD1-CG2 3.48Å; N925-T950 PolarHBondContact OD1-OG1 3.15Å
951	I	96.5	Very high	94.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.3	171.4	-49.2	-51.7	0	0	0	108.5	V865 E867 F918 R920 Q924 Y926 V949	V865-I951 HydrophobicContact CG1-CD1 3.52Å; V865-I951 CarbonylContact O-C 3.33Å; V865-I951 WeakPolarHBondContact O-CA 3.46Å; E867-I951 HydrophobicContact CB-CG2 3.57Å; F918-I951 HydrophobicContact CB-CD1 3.78Å; F918-I951 HydrophobicContact CB-CG1 4.2Å; F918-I951 HydrophobicContact CB-CG2 4.23Å; F918-I951 HydrophobicContact CD1-CD1 3.64Å; F918-I951 HydrophobicContact CD1-CG1 4.28Å; F918-I951 HydrophobicContact CD2-CD1 4.38Å; F918-I951 HydrophobicContact CE1-CD1 4.31Å; F918-I951 HydrophobicContact CG-CD1 3.67Å; F918-I951 HydrophobicContact CG-CG1 4.47Å; R920-I951 HydrophobicContact CB-CB 4.38Å; R920-I951 HydrophobicContact CB-CG2 3.96Å; R920-I951 HydrophobicContact CG-CB 4.47Å; R920-I951 HydrophobicContact CG-CG2 4.49Å; Q924-I951 WeakPolarHBondContact O-CG1 3.26Å; Q924-I951 PolarHBondContact O-N 2.79Å; Y926-I951 HydrophobicContact CD2-CD1 4.14Å; Y926-I951 HydrophobicContact CD2-CG1 4.12Å; Y926-I951 HydrophobicContact CE2-CD1 4.14Å; Y926-I951 HydrophobicContact CE2-CG1 3.92Å; V949-I951 HydrophobicContact CG1-CD1 4.48Å
952	I	95.3	Very high	94.9	Very high	73 Å²	73	36 Å²	36	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.3	175.8	-65.6	179.3	0	0	0	109.6	F864 V865 Q866 E867	F864-I952 HydrophobicContact CB-CD1 3.67Å; F864-I952 HydrophobicContact CB-CG1 4.11Å; F864-I952 HydrophobicContact CD1-CD1 4.22Å; F864-I952 HydrophobicContact CD1-CG1 4.19Å; F864-I952 HydrophobicContact CG-CD1 4.22Å; V865-I952 PolarHBondContact O-N 2.96Å; Q866-I952 HydrophobicContact CG-CB 4.44Å; E867-I952 PolarHBondContact N-O 3.34Å
953	D	95.1	Very high	94.8	Very high	24 Å²	24	35.9 Å²	35.9	13%	0.128	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-60.4	136.6	176.4	-163.7	84.3	0	0	0	113.1	E867 R920 I994 N997	E867-D953 WeakPolarHBondContact OE1-CA 3.23Å; R920-D953 WeakPolarHBondContact CD-OD1 3.44Å; R920-D953 IonicContact CZ-OD1 3.37Å; R920-D953 IonicContact NE-OD1 3.48Å; R920-D953 PolarHBondContact NE-OD1 3.31Å; R920-D953 IonicContact NH2-OD1 2.7Å; D953-I994 HydrophobicContact CB-CD1 4.1Å; D953-I994 HydrophobicContact CB-CG1 3.6Å; D953-I994 VanDerWaalsContact OD1-CG1 3.24Å; D953-I994 WeakPolarHBondContact OD1-CG1 3.24Å; D953-I994 PolarHBondContact OD1-N 3.18Å; D953-I994 PolarHBondContact OD2-N 2.85Å; D953-N997 WeakPolarHBondContact OD2-CB 3.1Å; D953-N997 PolarHBondContact OD2-ND2 3.21Å
954	V	93.7	Very high	94.7	Very high	47 Å²	47	36.2 Å²	36.2	29%	0.285	21%	0.21	S	C	.	.			trans	-138.1	128.8	176.9	174.4	0	0	0	0	106.8	Q866 E867 D956	Q866-V954 HydrophobicContact CB-CG2 4.02Å; Q866-V954 HydrophobicContact CG-CG2 4.46Å; E867-V954 HydrophobicContact CG-CB 3.93Å; E867-V954 HydrophobicContact CG-CG2 4.1Å; E867-V954 PolarHBondContact OE1-N 2.8Å; V954-D956 WeakPolarHBondContact O-CA 3.32Å; V954-D956 WeakPolarHBondContact O-CB 3.45Å; V954-D956 PolarHBondContact O-N 3.46Å
955	N	95.1	Very high	94.4	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.032	21%	0.214	C	C	.	.	S	Bend	trans	-54.8	100.3	-174	-168.5	-13	0	0	0	112.1	D993 N997 D1042 P1046 R1048	N955-D993 VanDerWaalsContact CA-OD2 3.26Å; N955-D993 WeakPolarHBondContact CA-OD2 3.31Å; N955-D993 PolarHBondContact OD1-OD2 3.24Å; N955-N997 HydrophobicContact CB-CB 4.12Å; N955-N997 PolarHBondContact N-ND2 3.33Å; N955-D1042 PolarHBondContact ND2-OD1 3.17Å; N955-D1042 PolarHBondContact ND2-OD2 2.89Å; N955-P1046 PolarHBondContact ND2-O 2.94Å; N955-R1048 PolarHBondContact O-NE 2.63Å; N955-R1048 PolarHBondContact O-NH2 2.82Å; N955-R1048 WeakPolarHBondContact OD1-CD 3.24Å; N955-R1048 PolarHBondContact OD1-NE 2.81Å
956	D	93.9	Very high	93.9	Very high	50 Å²	50	48.4 Å²	48.4	27%	0.267	26%	0.256	S	S	.	.			trans	-124.2	-42.9	-159.6	176.5	-89.7	0	0	0	111.3	N868 V954 D993 R1048	N868-D956 PolarHBondContact ND2-OD2 2.9Å; V954-D956 WeakPolarHBondContact O-CA 3.32Å; V954-D956 WeakPolarHBondContact O-CB 3.45Å; V954-D956 PolarHBondContact O-N 3.46Å; D956-D993 PolarHBondContact N-OD2 2.95Å; D956-R1048 VanDerWaalsContact CA-NH2 3.27Å; D956-R1048 PolarHBondContact O-NH1 3.32Å; D956-R1048 PolarHBondContact O-NH2 2.85Å; D956-R1048 VanDerWaalsContact O-NH2 3.15Å
957	N	94	Very high	93.4	Very high	33 Å²	33	53.6 Å²	53.6	18%	0.176	28%	0.283	C	S	.	.	S	Bend	trans	-79.6	-154	174.2	-68.4	-97.1	0	0	0	109.9	E921 D991 N992 D993 R1048	E921-N957 VanDerWaalsContact CD-ND2 3.3Å; E921-N957 WeakPolarHBondContact CG-ND2 3.4Å; N957-D991 VanDerWaalsContact CB-OD1 3.26Å; N957-D991 WeakPolarHBondContact CB-OD1 3.29Å; N957-N992 HydrophobicContact CB-CB 4.11Å; N957-N992 PolarHBondContact OD1-ND2 2.92Å; N957-D993 WeakPolarHBondContact CB-OD1 3.2Å; N957-D993 PolarHBondContact N-OD1 3.45Å; N957-D993 PolarHBondContact ND2-OD1 2.95Å; N957-R1048 WeakPolarHBondContact O-CD 3.14Å; N957-R1048 VanDerWaalsContact O-CZ 3.25Å; N957-R1048 PolarHBondContact O-NE 2.7Å; N957-R1048 PolarHBondContact O-NH1 3.23Å
958	T	94.3	Very high	92.9	Very high	51 Å²	51	58.7 Å²	58.7	31%	0.313	31%	0.31	S	S	.	.			trans	-162.7	137.6	179.9	-66.4	0	0	0	0	107.9	Q960 D991 R1048	T958-Q960 VanDerWaalsContact O-CG 3.25Å; T958-Q960 WeakPolarHBondContact O-CG 3.09Å; T958-Q960 PolarHBondContact O-N 2.84Å; T958-D991 VanDerWaalsContact C-OD2 3.23Å; T958-D991 PolarHBondContact N-OD1 3.04Å; T958-R1048 HydrophobicContact CG2-CB 4.36Å
959	P	95.5	Very high	92.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	30%	0.299	C	S	.	.			trans	-57.1	129	-174.3	-28.7	33	0	0	0	112.8	D991 L1000 L1040 D1042 A1050	P959-D991 WeakPolarHBondContact CA-OD2 3.39Å; P959-D991 WeakPolarHBondContact CD-OD2 3.38Å; P959-D991 WeakPolarHBondContact CG-OD2 3.47Å; P959-L1000 HydrophobicContact CB-CD2 3.63Å; P959-L1000 HydrophobicContact CG-CD2 3.73Å; P959-L1040 HydrophobicContact CB-CB 4.28Å; P959-L1040 HydrophobicContact CB-CD2 3.53Å; P959-L1040 HydrophobicContact CB-CG 3.56Å; P959-D1042 HydrophobicContact CG-CB 4.1Å; P959-A1050 WeakPolarHBondContact O-CB 3.48Å
960	Q	93.9	Very high	92.6	Very high	115 Å²	115	56.8 Å²	56.8	54%	0.537	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.9	-179.3	-52.8	-166.3	16.2	0	0	111.2	T958 G989 T990	T958-Q960 VanDerWaalsContact O-CG 3.25Å; T958-Q960 WeakPolarHBondContact O-CG 3.09Å; T958-Q960 PolarHBondContact O-N 2.84Å; Q960-G989 CarbonylContact O-C 3.55Å; Q960-G989 VanDerWaalsContact O-CA 3.24Å; Q960-G989 WeakPolarHBondContact O-CA 3.47Å; Q960-T990 PolarHBondContact N-O 3.01Å; Q960-T990 PolarHBondContact O-N 2.87Å
961	F	94.8	Very high	92.4	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.9	172.1	-79.5	-80.4	0	0	0	110.9	L964 Y970 L987 L988 F1002 V1038 L1040 A1050 A1052	F961-L964 HydrophobicContact CB-CD1 3.98Å; F961-L964 HydrophobicContact CB-CD2 4.21Å; F961-L964 HydrophobicContact CB-CG 4.07Å; F961-Y970 HydrophobicContact CB-CE2 4.38Å; F961-Y970 AromaticContact CD1-CE2 3.74Å; F961-Y970 HydrophobicContact CD1-CE2 3.74Å; F961-Y970 HydrophobicContact CE1-CE2 4.36Å; F961-Y970 HydrophobicContact CG-CE2 4.34Å; F961-L987 HydrophobicContact CE1-CB 4.41Å; F961-L987 HydrophobicContact CE1-CD1 4.5Å; F961-L988 WeakPolarHBondContact CA-O 3.26Å; F961-F1002 HydrophobicContact CD1-CE1 4.44Å; F961-F1002 HydrophobicContact CE1-CD1 4.08Å; F961-F1002 AromaticContact CE1-CE1 3.98Å; F961-F1002 HydrophobicContact CE1-CE1 3.98Å; F961-V1038 HydrophobicContact CE1-CG2 3.91Å; F961-V1038 HydrophobicContact CE2-CG2 4.46Å; F961-V1038 HydrophobicContact CZ-CB 4.23Å; F961-V1038 HydrophobicContact CZ-CG2 3.67Å; F961-L1040 HydrophobicContact CD2-CB 4.26Å; F961-L1040 HydrophobicContact CE1-CB 4.08Å; F961-L1040 HydrophobicContact CE2-CB 3.61Å; F961-L1040 HydrophobicContact CZ-CB 3.53Å; F961-A1050 HydrophobicContact CD2-CB 4.49Å; F961-A1050 WeakPolarHBondContact CE2-O 3Å; F961-A1052 HydrophobicContact CB-CB 4.31Å; F961-A1052 HydrophobicContact CD1-CB 4.23Å; F961-A1052 HydrophobicContact CD2-CB 3.49Å; F961-A1052 VanDerWaalsContact CD2-CB 3.49Å; F961-A1052 HydrophobicContact CE1-CB 4.39Å; F961-A1052 HydrophobicContact CE2-CB 3.68Å; F961-A1052 HydrophobicContact CG-CB 3.77Å; F961-A1052 HydrophobicContact CZ-CB 4.12Å
962	V	92.2	Very high	92.4	Very high	62 Å²	62	61.3 Å²	61.3	38%	0.376	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.5	-176.7	-179.1	0	0	0	0	110.6	Y970 L988 T990	V962-Y970 PolarHBondContact N-OH 2.91Å; V962-Y970 WeakPolarHBondContact O-CE1 3.49Å; V962-Y970 PolarHBondContact O-OH 2.89Å; V962-L988 HydrophobicContact CB-CB 4.15Å; V962-L988 PolarHBondContact N-O 3.03Å; V962-T990 HydrophobicContact CG2-CG2 3.78Å; V962-T990 VanDerWaalsContact CG2-OG1 3.29Å; V962-T990 WeakPolarHBondContact CG2-OG1 3.14Å
963	G	89.3	Confident	92.3	Very high	62 Å²	62	67.2 Å²	67.2	64%	0.639	34%	0.337	S	S	*	.	S	Bend	trans	83.2	21.6	-179.8	0	0	0	0	0	114.9
964	L	90.3	Very high	92.3	Very high	47 Å²	47	66.6 Å²	66.6	25%	0.246	33%	0.333	C	S	.	.			trans	-65.2	144.8	166.3	-60.8	178	0	0	0	110.8	F961 Y970 A1052	F961-L964 HydrophobicContact CB-CD1 3.98Å; F961-L964 HydrophobicContact CB-CD2 4.21Å; F961-L964 HydrophobicContact CB-CG 4.07Å; L964-Y970 HydrophobicContact CD2-CD1 4.33Å; L964-Y970 HydrophobicContact CD2-CD2 3.52Å; L964-Y970 HydrophobicContact CD2-CE1 4.21Å; L964-Y970 HydrophobicContact CD2-CE2 3.41Å; L964-Y970 VanDerWaalsContact CD2-CE2 3.41Å; L964-Y970 HydrophobicContact CD2-CG 4.01Å; L964-Y970 HydrophobicContact CG-CE2 4.5Å; L964-A1052 HydrophobicContact CD1-CB 4.49Å; L964-A1052 HydrophobicContact CD2-CB 3.91Å
965	D	89.7	Confident	92.3	Very high	83 Å²	83	65.7 Å²	65.7	44%	0.444	33%	0.331	S	S	.	.			trans	-78.6	176.6	174	-158.1	-9.2	0	0	0	111.2	D967 N968 C969 H971	D965-D967 PolarHBondContact O-N 3.03Å; D965-N968 WeakPolarHBondContact O-CA 3.36Å; D965-N968 PolarHBondContact O-N 2.98Å; D965-C969 WeakPolarHBondContact CB-O 3.38Å; D965-C969 PolarHBondContact N-O 2.85Å; D965-H971 IonicContact OD2-CE1 2.69Å; D965-H971 IonicContact OD2-CG 3.38Å; D965-H971 IonicContact OD2-ND1 3.21Å; D965-H971 PolarHBondContact OD2-ND1 2.92Å
966	R	84.9	Confident	92.3	Very high	236 Å²	236	65.4 Å²	65.4	89%	0.891	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.8	-177.4	-64.4	-179.7	178.8	179.6	0.3	114.5	N968	R966-N968 PolarHBondContact O-N 2.91Å
967	D	86.1	Confident	92.1	Very high	126 Å²	126	66.4 Å²	66.4	67%	0.674	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	15.3	179.1	-58.3	-29.5	0	0	0	112.6	D965 C969	D965-D967 PolarHBondContact O-N 3.03Å; D967-C969 PolarHBondContact O-N 3.45Å
968	N	85.8	Confident	92.1	Very high	108 Å²	108	68.1 Å²	68.1	58%	0.578	34%	0.342	S	S	*	.	S	Bend	trans	57.1	41.8	178.8	-159	79.4	0	0	0	113.8	D965 R966	D965-N968 WeakPolarHBondContact O-CA 3.36Å; D965-N968 PolarHBondContact O-N 2.98Å; R966-N968 PolarHBondContact O-N 2.91Å
969	C	92.4	Very high	92	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.1	179.8	60.4	0	0	0	0	111.4	D965 D967 H971 K1053	D965-C969 WeakPolarHBondContact CB-O 3.38Å; D965-C969 PolarHBondContact N-O 2.85Å; D967-C969 PolarHBondContact O-N 3.45Å; C969-H971 PolarHBondContact SG-CE1 2.93Å; C969-K1053 CarbonylContact C-O 3.6Å; C969-K1053 WeakPolarHBondContact CA-O 3.45Å; C969-K1053 HydrophobicContact CB-CB 3.76Å; C969-K1053 WeakPolarHBondContact CB-O 3.04Å
970	Y	94.1	Very high	91.8	Very high	11 Å²	11	72.1 Å²	72.1	4%	0.043	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.4	168	-68.1	-77.5	0	0	0	110.6	F961 V962 L964 F972 L987 L988 A1052 K1053 V1054 H1055	F961-Y970 HydrophobicContact CB-CE2 4.38Å; F961-Y970 AromaticContact CD1-CE2 3.74Å; F961-Y970 HydrophobicContact CD1-CE2 3.74Å; F961-Y970 HydrophobicContact CE1-CE2 4.36Å; F961-Y970 HydrophobicContact CG-CE2 4.34Å; V962-Y970 PolarHBondContact N-OH 2.91Å; V962-Y970 WeakPolarHBondContact O-CE1 3.49Å; V962-Y970 PolarHBondContact O-OH 2.89Å; L964-Y970 HydrophobicContact CD2-CD1 4.33Å; L964-Y970 HydrophobicContact CD2-CD2 3.52Å; L964-Y970 HydrophobicContact CD2-CE1 4.21Å; L964-Y970 HydrophobicContact CD2-CE2 3.41Å; L964-Y970 VanDerWaalsContact CD2-CE2 3.41Å; L964-Y970 HydrophobicContact CD2-CG 4.01Å; L964-Y970 HydrophobicContact CG-CE2 4.5Å; Y970-F972 HydrophobicContact CD1-CZ 4.2Å; Y970-F972 HydrophobicContact CG-CZ 4.23Å; Y970-L987 HydrophobicContact CD2-CD2 3.52Å; Y970-L987 HydrophobicContact CE2-CB 4.4Å; Y970-L987 HydrophobicContact CE2-CD2 3.65Å; Y970-L987 HydrophobicContact CG-CD2 4.05Å; Y970-L988 PolarHBondContact OH-N 3.28Å; Y970-L988 PolarHBondContact OH-O 2.94Å; Y970-A1052 HydrophobicContact CE2-CB 4.5Å; Y970-K1053 PolarHBondContact N-O 2.81Å; Y970-V1054 HydrophobicContact CD2-CG2 4.17Å; Y970-H1055 PolarHBondContact O-N 2.99Å
971	H	94.2	Very high	91.8	Very high	93 Å²	93	71.6 Å²	71.6	43%	0.431	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.9	173	-73.3	122.7	0	0	0	110.4	D965 C969 H1055	D965-H971 IonicContact OD2-CE1 2.69Å; D965-H971 IonicContact OD2-CG 3.38Å; D965-H971 IonicContact OD2-ND1 3.21Å; D965-H971 PolarHBondContact OD2-ND1 2.92Å; C969-H971 PolarHBondContact SG-CE1 2.93Å; H971-H1055 AromaticContact CD2-ND1 3.69Å; H971-H1055 AromaticContact NE2-ND1 3.2Å; H971-H1055 PolarHBondContact NE2-ND1 2.99Å; H971-H1055 VanDerWaalsContact NE2-ND1 3.2Å
972	F	95.2	Very high	91.8	Very high	35 Å²	35	72 Å²	72	15%	0.154	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	154.4	174.1	-60.8	-44	0	0	0	111.7	Y970 V984 L987 L1020 V1054 H1055 I1056 H1057	Y970-F972 HydrophobicContact CD1-CZ 4.2Å; Y970-F972 HydrophobicContact CG-CZ 4.23Å; F972-V984 HydrophobicContact CB-CG1 3.85Å; F972-V984 HydrophobicContact CD2-CG1 4.2Å; F972-V984 HydrophobicContact CG-CG1 4.31Å; F972-L987 HydrophobicContact CE2-CD2 4.01Å; F972-L987 HydrophobicContact CZ-CD2 4.26Å; F972-L1020 HydrophobicContact CD2-CD2 4.14Å; F972-L1020 HydrophobicContact CE2-CD2 4.25Å; F972-V1054 HydrophobicContact CD2-CG1 3.42Å; F972-V1054 VanDerWaalsContact CD2-CG1 3.42Å; F972-V1054 HydrophobicContact CE2-CG1 3.61Å; F972-H1055 PolarHBondContact N-O 2.74Å; F972-I1056 HydrophobicContact CB-CG1 4.48Å; F972-I1056 WeakPolarHBondContact O-CA 3.42Å; F972-H1057 PolarHBondContact O-N 2.89Å
973	R	94.8	Very high	92	Very high	197 Å²	197	75 Å²	75	74%	0.743	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.6	175.4	-63.6	-173	177.3	-172.6	-2.9	109.2	H1057 T1059	R973-H1057 WeakPolarHBondContact CA-O 3.48Å; R973-H1057 HydrophobicContact CG-CB 4.36Å; R973-T1059 HydrophobicContact CB-CG2 4.31Å
974	I	95.1	Very high	92.3	Very high	10 Å²	10	72.5 Å²	72.5	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141	174	-171.3	166.4	0	0	0	107.6	Q978 T982 V984 T1022 L1026 I1056 H1057 V1058 T1059	I974-Q978 HydrophobicContact CD1-CB 4.49Å; I974-Q978 HydrophobicContact CG1-CG 4.17Å; I974-T982 HydrophobicContact CD1-CG2 3.76Å; I974-V984 HydrophobicContact CD1-CG2 3.86Å; I974-T1022 HydrophobicContact CD1-CG2 3.55Å; I974-L1026 HydrophobicContact CG2-CD1 3.91Å; I974-I1056 HydrophobicContact CG2-CG2 3.89Å; I974-H1057 PolarHBondContact N-O 2.87Å; I974-V1058 CarbonylContact O-C 3.41Å; I974-V1058 VanDerWaalsContact O-CA 3.23Å; I974-V1058 WeakPolarHBondContact O-CA 2.99Å; I974-T1059 PolarHBondContact O-N 3.3Å
975	A	93.3	Very high	92.4	Very high	29 Å²	29	70.4 Å²	70.4	24%	0.24	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	161.1	172	0	0	0	0	0	110.5	Q978 T1059 I1061	A975-Q978 HydrophobicContact CB-CG 4.26Å; A975-Q978 VanDerWaalsContact O-CG 3.28Å; A975-Q978 WeakPolarHBondContact O-CG 3.27Å; A975-T1059 WeakPolarHBondContact CA-O 3.14Å; A975-T1059 VanDerWaalsContact CA-OG1 3.3Å; A975-T1059 WeakPolarHBondContact CA-OG1 3.44Å; A975-I1061 HydrophobicContact CB-CD1 3.96Å; A975-I1061 HydrophobicContact CB-CG1 4.32Å
976	E	93.8	Very high	92.6	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	178.6	168.3	67.8	-160.6	121.2	0	0	112.8	Q978 L1026 R1028 V1058 T1059 D1060 I1061	E976-Q978 PolarHBondContact O-N 3.42Å; E976-Q978 PolarHBondContact O-NE2 3.21Å; E976-L1026 WeakPolarHBondContact CB-O 3.32Å; E976-R1028 WeakPolarHBondContact OE1-CB 3.43Å; E976-R1028 WeakPolarHBondContact OE2-CB 3.44Å; E976-R1028 PolarHBondContact OE2-N 2.85Å; E976-V1058 HydrophobicContact CB-CG1 3.62Å; E976-T1059 PolarHBondContact N-O 3.03Å; E976-D1060 WeakPolarHBondContact OE1-CA 3.43Å; E976-I1061 HydrophobicContact CG-CB 3.97Å; E976-I1061 HydrophobicContact CG-CD1 4.18Å; E976-I1061 HydrophobicContact CG-CG1 4.02Å; E976-I1061 VanDerWaalsContact O-CD1 3.31Å; E976-I1061 WeakPolarHBondContact O-CD1 3.3Å; E976-I1061 PolarHBondContact OE1-N 3.16Å
977	N	91.3	Very high	93.1	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	11.5	179.8	-75.7	-58.4	0	0	0	115.2	L1025 L1026 D1063	N977-L1025 WeakPolarHBondContact O-CD2 3.48Å; N977-L1026 PolarHBondContact N-O 3.37Å; N977-D1063 PolarHBondContact ND2-OD2 2.7Å
978	Q	92.2	Very high	93.4	Very high	69 Å²	69	56.5 Å²	56.5	32%	0.322	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-73.3	138.9	176.4	-60.3	-50.9	-66.9	0	0	111	I974 A975 E976 T982 L1025	I974-Q978 HydrophobicContact CD1-CB 4.49Å; I974-Q978 HydrophobicContact CG1-CG 4.17Å; A975-Q978 HydrophobicContact CB-CG 4.26Å; A975-Q978 VanDerWaalsContact O-CG 3.28Å; A975-Q978 WeakPolarHBondContact O-CG 3.27Å; E976-Q978 PolarHBondContact O-N 3.42Å; E976-Q978 PolarHBondContact O-NE2 3.21Å; Q978-T982 HydrophobicContact CB-CG2 4.06Å; Q978-T982 HydrophobicContact CG-CG2 4.48Å; Q978-L1025 WeakPolarHBondContact O-CD2 3.43Å
979	P	93.5	Very high	93.8	Very high	77 Å²	77	52.5 Å²	52.5	50%	0.5	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-62.2	156	-174.9	25.6	-34.3	0	0	0	112.3	T982 T1022	P979-T982 WeakPolarHBondContact O-CB 3.49Å; P979-T982 PolarHBondContact O-N 3.2Å; P979-T982 PolarHBondContact O-OG1 3.32Å; P979-T1022 PolarHBondContact O-OG1 3.12Å; P979-T1022 VanDerWaalsContact O-OG1 3.11Å
980	P	91.9	Very high	93.9	Very high	59 Å²	59	55.6 Å²	55.6	38%	0.383	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	146.7	170.8	-25.5	35	0	0	0	111.8	T982	P980-T982 VanDerWaalsContact C-N 3.33Å
981	N	93.2	Very high	94	Very high	104 Å²	104	56.3 Å²	56.3	56%	0.556	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	17.5	-172	-34.1	-81.1	0	0	0	115	R1012 T1022	N981-R1012 VanDerWaalsContact OD1-CZ 3.3Å; N981-R1012 PolarHBondContact OD1-NH1 2.89Å; N981-R1012 PolarHBondContact OD1-NH2 3.42Å; N981-T1022 VanDerWaalsContact CA-O 3.31Å; N981-T1022 WeakPolarHBondContact CA-O 3.5Å; N981-T1022 PolarHBondContact N-O 3.34Å; N981-T1022 PolarHBondContact N-OG1 3.39Å
982	T	95.3	Very high	94	Very high	33 Å²	33	56 Å²	56	20%	0.202	29%	0.293	C	S	.	.			trans	-70.6	136.8	170.5	-63.2	0	0	0	0	110.3	I974 Q978 P979 P980 T1021 T1022	I974-T982 HydrophobicContact CD1-CG2 3.76Å; Q978-T982 HydrophobicContact CB-CG2 4.06Å; Q978-T982 HydrophobicContact CG-CG2 4.48Å; P979-T982 WeakPolarHBondContact O-CB 3.49Å; P979-T982 PolarHBondContact O-N 3.2Å; P979-T982 PolarHBondContact O-OG1 3.32Å; P980-T982 VanDerWaalsContact C-N 3.33Å; T982-T1021 CarbonylContact O-C 3.55Å; T982-T1021 VanDerWaalsContact O-CA 3.25Å; T982-T1021 WeakPolarHBondContact O-CA 3.24Å; T982-T1022 PolarHBondContact N-OG1 3.12Å; T982-T1022 PolarHBondContact O-N 3.06Å
983	Y	95.3	Very high	94	Very high	125 Å²	125	54.7 Å²	54.7	49%	0.49	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.9	176.6	175.7	-90.4	0	0	0	111.3	G985 I986 E1019	Y983-G985 WeakPolarHBondContact CE2-O 3.23Å; Y983-G985 VanDerWaalsContact CZ-C 3.47Å; Y983-I986 HydrophobicContact CE2-CB 4.44Å; Y983-I986 WeakPolarHBondContact OH-CG2 3.38Å; Y983-I986 PolarHBondContact OH-N 2.92Å; Y983-E1019 HydrophobicContact CD2-CG 3.81Å; Y983-E1019 HydrophobicContact CE2-CG 3.96Å
984	V	95.3	Very high	93.9	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-37.2	178	-177.6	0	0	0	0	111	F972 I974 F1011 L1020 T1022 I1056	F972-V984 HydrophobicContact CB-CG1 3.85Å; F972-V984 HydrophobicContact CD2-CG1 4.2Å; F972-V984 HydrophobicContact CG-CG1 4.31Å; I974-V984 HydrophobicContact CD1-CG2 3.86Å; V984-F1011 HydrophobicContact CG2-CD1 4.05Å; V984-F1011 HydrophobicContact CG2-CE1 4.06Å; V984-L1020 HydrophobicContact CB-CB 4.38Å; V984-L1020 HydrophobicContact CB-CD2 4.36Å; V984-L1020 HydrophobicContact CB-CG 4.23Å; V984-L1020 WeakPolarHBondContact CB-O 3.31Å; V984-L1020 HydrophobicContact CG1-CD2 4.2Å; V984-L1020 PolarHBondContact N-O 3.3Å; V984-T1022 HydrophobicContact CG2-CG2 4Å; V984-I1056 HydrophobicContact CG1-CD1 4.16Å; V984-I1056 HydrophobicContact CG1-CG1 4.12Å; V984-I1056 HydrophobicContact CG1-CG2 3.83Å
985	G	93.6	Very high	93.7	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-180	-173.9	0	0	0	0	0	111.9	Y983 L1020	Y983-G985 WeakPolarHBondContact CE2-O 3.23Å; Y983-G985 VanDerWaalsContact CZ-C 3.47Å; G985-L1020 PolarHBondContact O-N 3.07Å
986	I	94.2	Very high	93.7	Very high	66 Å²	66	57.5 Å²	57.5	34%	0.338	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.4	176.7	-170	169.1	0	0	0	109.6	Y983 L988 T1017	Y983-I986 HydrophobicContact CE2-CB 4.44Å; Y983-I986 WeakPolarHBondContact OH-CG2 3.38Å; Y983-I986 PolarHBondContact OH-N 2.92Å; I986-L988 HydrophobicContact CD1-CD2 4.24Å; I986-L988 HydrophobicContact CG1-CD2 4.24Å; I986-T1017 WeakPolarHBondContact CD1-O 3.5Å; I986-T1017 WeakPolarHBondContact CG1-O 3.42Å
987	L	94.5	Very high	93.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.			trans	-89.6	137.9	170.9	-49.3	176.9	0	0	0	108.3	F961 Y970 F972 F1002 L1013 G1018 V1038 V1054	F961-L987 HydrophobicContact CE1-CB 4.41Å; F961-L987 HydrophobicContact CE1-CD1 4.5Å; Y970-L987 HydrophobicContact CD2-CD2 3.52Å; Y970-L987 HydrophobicContact CE2-CB 4.4Å; Y970-L987 HydrophobicContact CE2-CD2 3.65Å; Y970-L987 HydrophobicContact CG-CD2 4.05Å; F972-L987 HydrophobicContact CE2-CD2 4.01Å; F972-L987 HydrophobicContact CZ-CD2 4.26Å; L987-F1002 HydrophobicContact CB-CD1 3.83Å; L987-F1002 HydrophobicContact CB-CE1 3.58Å; L987-F1002 HydrophobicContact CB-CZ 4.42Å; L987-F1002 HydrophobicContact CD1-CD1 4.12Å; L987-F1002 WeakPolarHBondContact O-CZ 3.29Å; L987-L1013 HydrophobicContact CD1-CD1 3.57Å; L987-L1013 HydrophobicContact CD1-CD2 3.69Å; L987-L1013 HydrophobicContact CD1-CG 4.3Å; L987-L1013 HydrophobicContact CG-CD1 4.17Å; L987-G1018 WeakPolarHBondContact CG-O 3.24Å; L987-G1018 PolarHBondContact N-O 3.49Å; L987-V1038 HydrophobicContact CD1-CB 3.91Å; L987-V1038 HydrophobicContact CD1-CG1 3.74Å; L987-V1038 HydrophobicContact CD1-CG2 3.99Å; L987-V1054 HydrophobicContact CD2-CG2 3.71Å
988	L	93.6	Very high	93.7	Very high	87 Å²	87	56.6 Å²	56.6	46%	0.455	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.7	178.3	-61.3	177.7	0	0	0	109.5	F961 V962 Y970 I986	F961-L988 WeakPolarHBondContact CA-O 3.26Å; V962-L988 HydrophobicContact CB-CB 4.15Å; V962-L988 PolarHBondContact N-O 3.03Å; Y970-L988 PolarHBondContact OH-N 3.28Å; Y970-L988 PolarHBondContact OH-O 2.94Å; I986-L988 HydrophobicContact CD1-CD2 4.24Å; I986-L988 HydrophobicContact CG1-CD2 4.24Å
989	G	93.2	Very high	93.8	Very high	23 Å²	23	57.8 Å²	57.8	24%	0.237	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.3	-179.4	0	0	0	0	0	110.7	Q960 L1000	Q960-G989 CarbonylContact O-C 3.55Å; Q960-G989 VanDerWaalsContact O-CA 3.24Å; Q960-G989 WeakPolarHBondContact O-CA 3.47Å; G989-L1000 WeakPolarHBondContact O-CD1 3.46Å
990	T	94.4	Very high	93.8	Very high	67 Å²	67	55.8 Å²	55.8	41%	0.411	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.1	173	47.8	0	0	0	0	109.6	Q960 V962	Q960-T990 PolarHBondContact N-O 3.01Å; Q960-T990 PolarHBondContact O-N 2.87Å; V962-T990 HydrophobicContact CG2-CG2 3.78Å; V962-T990 VanDerWaalsContact CG2-OG1 3.29Å; V962-T990 WeakPolarHBondContact CG2-OG1 3.14Å
991	D	95.6	Very high	93.9	Very high	25 Å²	25	55.5 Å²	55.5	13%	0.134	29%	0.293	C	S	.	.			trans	-119.6	163.7	157.2	-135.7	-45.7	0	0	0	109.6	N957 T958 P959 A998 L1000	N957-D991 VanDerWaalsContact CB-OD1 3.26Å; N957-D991 WeakPolarHBondContact CB-OD1 3.29Å; T958-D991 VanDerWaalsContact C-OD2 3.23Å; T958-D991 PolarHBondContact N-OD1 3.04Å; P959-D991 WeakPolarHBondContact CA-OD2 3.39Å; P959-D991 WeakPolarHBondContact CD-OD2 3.38Å; P959-D991 WeakPolarHBondContact CG-OD2 3.47Å; D991-A998 HydrophobicContact CB-CB 4.06Å; D991-L1000 HydrophobicContact CB-CD2 4.28Å
992	N	94.2	Very high	94	Very high	87 Å²	87	51.3 Å²	51.3	47%	0.465	27%	0.269	S	S	.	.	S	Bend	trans	-94.6	-29.7	179.8	-63.3	-29.9	0	0	0	112.7	R920 E921 N957	R920-N992 PolarHBondContact NH2-O 2.81Å; E921-N992 HydrophobicContact CG-CB 3.68Å; N957-N992 HydrophobicContact CB-CB 4.11Å; N957-N992 PolarHBondContact OD1-ND2 2.92Å
993	D	95.8	Very high	93.9	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.037	29%	0.288	C	S	.	.	S	Bend	trans	-58.7	-171.6	179.1	-62.5	12.4	0	0	0	112.6	N955 D956 N957 N997 A998	N955-D993 VanDerWaalsContact CA-OD2 3.26Å; N955-D993 WeakPolarHBondContact CA-OD2 3.31Å; N955-D993 PolarHBondContact OD1-OD2 3.24Å; D956-D993 PolarHBondContact N-OD2 2.95Å; N957-D993 WeakPolarHBondContact CB-OD1 3.2Å; N957-D993 PolarHBondContact N-OD1 3.45Å; N957-D993 PolarHBondContact ND2-OD1 2.95Å; D993-N997 HydrophobicContact CB-CB 3.69Å; D993-A998 HydrophobicContact CB-CB 4.46Å; D993-A998 VanDerWaalsContact O-CB 3.24Å; D993-A998 WeakPolarHBondContact O-CB 3.23Å
994	I	92.5	Very high	93.7	Very high	53 Å²	53	52.8 Å²	52.8	27%	0.272	27%	0.273	S	S	.	.			trans	-127.9	173.3	174.2	52.8	163.2	0	0	0	114.9	R920 D953 E996 N997 A998	R920-I994 VanDerWaalsContact NH1-CG2 3.33Å; D953-I994 HydrophobicContact CB-CD1 4.1Å; D953-I994 HydrophobicContact CB-CG1 3.6Å; D953-I994 VanDerWaalsContact OD1-CG1 3.24Å; D953-I994 WeakPolarHBondContact OD1-CG1 3.24Å; D953-I994 PolarHBondContact OD1-N 3.18Å; D953-I994 PolarHBondContact OD2-N 2.85Å; I994-E996 PolarHBondContact O-N 2.91Å; I994-N997 WeakPolarHBondContact O-CB 3.37Å; I994-N997 PolarHBondContact O-N 3.06Å; I994-A998 PolarHBondContact O-N 2.9Å
995	D	91.8	Very high	93.4	Very high	138 Å²	138	55.7 Å²	55.7	74%	0.738	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	-117.8	174.9	-62.3	-31.4	0	0	0	114.3	N997 Q999	D995-N997 VanDerWaalsContact C-N 3.32Å; D995-N997 PolarHBondContact O-N 2.88Å; D995-Q999 WeakPolarHBondContact O-CB 3.1Å; D995-Q999 PolarHBondContact O-N 3.39Å; D995-Q999 VanDerWaalsContact O-N 3.15Å
996	E	92.1	Very high	92.7	Very high	104 Å²	104	58.6 Å²	58.6	49%	0.486	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.3	179.4	-68	-168.8	146.7	0	0	112.6	I994 Q999 H1043 G1044 K1045	I994-E996 PolarHBondContact O-N 2.91Å; E996-Q999 PolarHBondContact O-N 2.86Å; E996-H1043 HydrophobicContact CB-CB 4.32Å; E996-H1043 CarbonylContact O-C 3.59Å; E996-H1043 VanDerWaalsContact O-C 3.28Å; E996-H1043 VanDerWaalsContact O-CA 3.32Å; E996-H1043 WeakPolarHBondContact O-CA 3.23Å; E996-H1043 WeakPolarHBondContact O-CB 3.3Å; E996-H1043 PolarHBondContact O-N 2.91Å; E996-G1044 PolarHBondContact O-N 3.25Å; E996-K1045 IonicContact OE1-NZ 2.88Å; E996-K1045 IonicContact OE2-NZ 3.92Å; E996-K1045 PolarHBondContact OE2-NZ 2.84Å
997	N	93.4	Very high	91.3	Very high	21 Å²	21	62.5 Å²	62.5	11%	0.112	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.2	-177.5	-60.2	-26.2	0	0	0	111.4	D953 N955 D993 I994 D995 D1042 G1044	D953-N997 WeakPolarHBondContact OD2-CB 3.1Å; D953-N997 PolarHBondContact OD2-ND2 3.21Å; N955-N997 HydrophobicContact CB-CB 4.12Å; N955-N997 PolarHBondContact N-ND2 3.33Å; D993-N997 HydrophobicContact CB-CB 3.69Å; I994-N997 WeakPolarHBondContact O-CB 3.37Å; I994-N997 PolarHBondContact O-N 3.06Å; D995-N997 VanDerWaalsContact C-N 3.32Å; D995-N997 PolarHBondContact O-N 2.88Å; N997-D1042 WeakPolarHBondContact O-CB 3.42Å; N997-G1044 WeakPolarHBondContact OD1-CA 3.3Å
998	A	93.2	Very high	90.1	Very high	31 Å²	31	64.8 Å²	64.8	26%	0.256	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	7.3	170.1	0	0	0	0	0	114.9	D991 D993 I994 L1000	D991-A998 HydrophobicContact CB-CB 4.06Å; D993-A998 HydrophobicContact CB-CB 4.46Å; D993-A998 VanDerWaalsContact O-CB 3.24Å; D993-A998 WeakPolarHBondContact O-CB 3.23Å; I994-A998 PolarHBondContact O-N 2.9Å; A998-L1000 PolarHBondContact O-N 2.9Å
999	Q	93.3	Very high	89.5	Confident	95 Å²	95	64.6 Å²	64.6	44%	0.444	37%	0.365	S	S	.	.			trans	-78.8	92.6	178.7	-170.5	175.2	24.8	0	0	111.6	D995 E996 D1042 H1043	D995-Q999 WeakPolarHBondContact O-CB 3.1Å; D995-Q999 PolarHBondContact O-N 3.39Å; D995-Q999 VanDerWaalsContact O-N 3.15Å; E996-Q999 PolarHBondContact O-N 2.86Å; Q999-D1042 CarbonylContact O-C 3.52Å; Q999-D1042 WeakPolarHBondContact O-CA 3.49Å; Q999-H1043 HydrophobicContact CB-CB 4.29Å; Q999-H1043 VanDerWaalsContact CD-ND1 3.29Å; Q999-H1043 PolarHBondContact O-N 3.5Å; Q999-H1043 PolarHBondContact OE1-ND1 2.8Å
1000	L	94.2	Very high	89.4	Confident	35 Å²	35	64.3 Å²	64.3	18%	0.183	36%	0.357	C	S	.	.			trans	-77.7	136.2	-173.9	-62.9	-176.6	0	0	0	115.1	P959 G989 D991 A998 L1040 I1041	P959-L1000 HydrophobicContact CB-CD2 3.63Å; P959-L1000 HydrophobicContact CG-CD2 3.73Å; G989-L1000 WeakPolarHBondContact O-CD1 3.46Å; D991-L1000 HydrophobicContact CB-CD2 4.28Å; A998-L1000 PolarHBondContact O-N 2.9Å; L1000-L1040 HydrophobicContact CB-CD1 4.02Å; L1000-L1040 HydrophobicContact CD1-CD1 4.26Å; L1000-L1040 HydrophobicContact CD1-CD2 4.31Å; L1000-L1040 HydrophobicContact CD2-CD1 4.28Å; L1000-L1040 HydrophobicContact CD2-CD2 4.49Å; L1000-L1040 HydrophobicContact CD2-CG 4.23Å; L1000-L1040 HydrophobicContact CG-CD1 4.43Å; L1000-I1041 CarbonylContact C-O 3.11Å; L1000-I1041 WeakPolarHBondContact CA-O 3.41Å
1001	H	93.3	Very high	89.4	Confident	53 Å²	53	61.3 Å²	61.3	25%	0.245	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.6	171.2	-91.6	-91.2	0	0	0	112.3	S1015 I1041 H1043	H1001-S1015 PolarHBondContact ND1-OG 2.99Å; H1001-I1041 PolarHBondContact N-O 3.4Å; H1001-I1041 PolarHBondContact O-N 3.06Å; H1001-H1043 AromaticContact CD2-CE1 3.22Å; H1001-H1043 PolarHBondContact CD2-CE1 2.78Å; H1001-H1043 AromaticContact CD2-NE2 3.18Å; H1001-H1043 PolarHBondContact CD2-NE2 2.97Å; H1001-H1043 AromaticContact CG-NE2 3.83Å; H1001-H1043 AromaticContact NE2-CE1 3.39Å; H1001-H1043 PolarHBondContact NE2-CE1 3.39Å; H1001-H1043 AromaticContact NE2-NE2 3.69Å
1002	F	94.7	Very high	89.2	Confident	15 Å²	15	64.8 Å²	64.8	7%	0.066	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.6	174.7	-61.5	-92.7	0	0	0	111.2	F961 L987 L1013 S1015 L1039 L1040	F961-F1002 HydrophobicContact CD1-CE1 4.44Å; F961-F1002 HydrophobicContact CE1-CD1 4.08Å; F961-F1002 AromaticContact CE1-CE1 3.98Å; F961-F1002 HydrophobicContact CE1-CE1 3.98Å; L987-F1002 HydrophobicContact CB-CD1 3.83Å; L987-F1002 HydrophobicContact CB-CE1 3.58Å; L987-F1002 HydrophobicContact CB-CZ 4.42Å; L987-F1002 HydrophobicContact CD1-CD1 4.12Å; L987-F1002 WeakPolarHBondContact O-CZ 3.29Å; F1002-L1013 HydrophobicContact CB-CD2 4.07Å; F1002-L1013 HydrophobicContact CB-CG 4.28Å; F1002-S1015 PolarHBondContact N-O 2.86Å; F1002-S1015 VanDerWaalsContact O-CA 3.29Å; F1002-S1015 WeakPolarHBondContact O-CA 3.45Å; F1002-S1015 VanDerWaalsContact O-CB 3.31Å; F1002-S1015 WeakPolarHBondContact O-CB 3.3Å; F1002-S1015 PolarHBondContact O-OG 3.46Å; F1002-L1039 CarbonylContact C-O 3.45Å; F1002-L1040 HydrophobicContact CD1-CD1 3.79Å; F1002-L1040 HydrophobicContact CD2-CD1 4.34Å; F1002-L1040 HydrophobicContact CE1-CD1 3.65Å; F1002-L1040 HydrophobicContact CE2-CD1 4.22Å; F1002-L1040 HydrophobicContact CG-CD1 4.14Å; F1002-L1040 HydrophobicContact CZ-CD1 3.88Å
1003	R	93.1	Very high	89.2	Confident	156 Å²	156	61.7 Å²	61.7	59%	0.589	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.7	176.8	-179.6	172.8	-178.7	170.6	1.7	111.3	L1039	R1003-L1039 HydrophobicContact CB-CB 4.39Å; R1003-L1039 PolarHBondContact N-O 2.99Å; R1003-L1039 PolarHBondContact O-N 3.11Å
1004	L	92	Very high	89.1	Confident	34 Å²	34	64.4 Å²	64.4	18%	0.178	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.5	170.8	-171.1	66.9	0	0	0	109.8	L1013 L1036 V1038	L1004-L1013 HydrophobicContact CB-CB 4.48Å; L1004-L1013 HydrophobicContact CB-CD2 4.47Å; L1004-L1036 HydrophobicContact CD1-CB 3.97Å; L1004-L1036 HydrophobicContact CD1-CD1 4.05Å; L1004-L1036 HydrophobicContact CD1-CD2 4.5Å; L1004-L1036 HydrophobicContact CD1-CG 4.41Å; L1004-V1038 HydrophobicContact CD1-CG1 4.02Å
1005	L	88.6	Confident	89.1	Confident	70 Å²	70	64.3 Å²	64.3	37%	0.366	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.9	173.9	-68.4	-176.5	0	0	0	110.7	I1037 L1039 T1051	L1005-I1037 HydrophobicContact CB-CB 4.28Å; L1005-I1037 HydrophobicContact CB-CG2 4.35Å; L1005-I1037 HydrophobicContact CD1-CG2 4.04Å; L1005-I1037 PolarHBondContact N-O 2.89Å; L1005-L1039 HydrophobicContact CD1-CB 3.97Å; L1005-L1039 HydrophobicContact CD2-CB 4.16Å; L1005-L1039 HydrophobicContact CD2-CD2 4.05Å; L1005-L1039 HydrophobicContact CG-CB 3.86Å; L1005-T1051 HydrophobicContact CD1-CG2 4.05Å
1006	G	79.8	Confident	89	Confident	63 Å²	63	61.7 Å²	61.7	65%	0.649	35%	0.345	S	S	*	.	S	Bend	trans	84.4	164.6	-169.6	0	0	0	0	0	113
1007	T	63.1	Low	89	Confident	148 Å²	148	59.7 Å²	59.7	91%	0.908	34%	0.339	S	S	*	.			trans	-95.5	110.9	176.6	50.4	0	0	0	0	109.9
1008	T	69.9	Low	89	Confident	49 Å²	49	58.7 Å²	58.7	30%	0.301	33%	0.334	S	S	.	.			trans	-110	130.8	164	73.7	0	0	0	0	109.6	N1010 L1036	T1008-N1010 PolarHBondContact O-N 3.07Å; T1008-L1036 HydrophobicContact CG2-CD2 3.63Å
1009	S	81	Confident	89.1	Confident	83 Å²	83	60.4 Å²	60.4	58%	0.58	34%	0.337	S	S	*	.	S	Bend	trans	-73	-10.3	175	38.5	0	0	0	0	113	L1023	S1009-L1023 WeakPolarHBondContact O-CB 3.32Å
1010	N	91.3	Very high	89.2	Confident	16 Å²	16	55.9 Å²	55.9	9%	0.086	32%	0.316	C	S	.	.	S	Bend	trans	-102.2	-23.6	-161.3	-61.9	36.6	0	0	0	112.4	T1008 L1023 Q1024 L1026 Y1034	T1008-N1010 PolarHBondContact O-N 3.07Å; N1010-L1023 PolarHBondContact O-N 2.74Å; N1010-Q1024 VanDerWaalsContact CG-NE2 3.3Å; N1010-Q1024 PolarHBondContact ND2-NE2 2.77Å; N1010-Q1024 PolarHBondContact OD1-NE2 2.99Å; N1010-Q1024 VanDerWaalsContact OD1-NE2 3.15Å; N1010-L1026 HydrophobicContact CB-CD2 4.06Å; N1010-Y1034 HydrophobicContact CB-CE1 4.32Å; N1010-Y1034 WeakPolarHBondContact ND2-CE1 3.27Å; N1010-Y1034 PolarHBondContact ND2-OH 3.13Å; N1010-Y1034 VanDerWaalsContact ND2-OH 3.09Å
1011	F	93.8	Very high	89.2	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.9	-173.9	-55.1	-78.6	0	0	0	112.7	V984 L1020 T1021 T1022 L1023 L1026 Y1034 L1036 I1056	V984-F1011 HydrophobicContact CG2-CD1 4.05Å; V984-F1011 HydrophobicContact CG2-CE1 4.06Å; F1011-L1020 HydrophobicContact CB-CD1 4.07Å; F1011-T1021 CarbonylContact C-O 3.59Å; F1011-T1021 VanDerWaalsContact CA-O 3.29Å; F1011-T1021 WeakPolarHBondContact CA-O 3.27Å; F1011-T1022 HydrophobicContact CE1-CG2 4.4Å; F1011-L1023 WeakPolarHBondContact O-CD1 3.45Å; F1011-L1026 HydrophobicContact CE1-CD1 3.86Å; F1011-L1026 HydrophobicContact CZ-CD1 3.84Å; F1011-L1026 HydrophobicContact CZ-CD2 4.31Å; F1011-Y1034 AromaticContact CE2-CD1 3.72Å; F1011-Y1034 HydrophobicContact CE2-CD1 3.72Å; F1011-Y1034 AromaticContact CE2-CD2 3.93Å; F1011-Y1034 HydrophobicContact CE2-CD2 3.93Å; F1011-Y1034 HydrophobicContact CE2-CE1 4.23Å; F1011-Y1034 HydrophobicContact CE2-CE2 4.43Å; F1011-Y1034 AromaticContact CE2-CG 3.55Å; F1011-Y1034 HydrophobicContact CE2-CG 3.55Å; F1011-Y1034 HydrophobicContact CZ-CD1 4.4Å; F1011-Y1034 AromaticContact CZ-CD2 3.8Å; F1011-Y1034 HydrophobicContact CZ-CD2 3.8Å; F1011-Y1034 HydrophobicContact CZ-CE2 4.21Å; F1011-Y1034 AromaticContact CZ-CG 3.91Å; F1011-Y1034 HydrophobicContact CZ-CG 3.91Å; F1011-L1036 HydrophobicContact CB-CD1 4.26Å; F1011-L1036 HydrophobicContact CD2-CD1 4.07Å; F1011-L1036 HydrophobicContact CD2-CD2 4.06Å; F1011-L1036 HydrophobicContact CG-CD1 4.22Å; F1011-I1056 HydrophobicContact CD1-CD1 3.92Å; F1011-I1056 HydrophobicContact CD2-CD1 4.08Å; F1011-I1056 HydrophobicContact CE1-CD1 3.62Å; F1011-I1056 HydrophobicContact CE1-CG2 4.33Å; F1011-I1056 HydrophobicContact CE2-CD1 3.81Å; F1011-I1056 HydrophobicContact CG-CD1 4.14Å; F1011-I1056 HydrophobicContact CZ-CB 4.48Å; F1011-I1056 HydrophobicContact CZ-CD1 3.56Å; F1011-I1056 HydrophobicContact CZ-CG2 4.23Å
1012	R	92.7	Very high	89.3	Confident	98 Å²	98	52.3 Å²	52.3	37%	0.37	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.5	174.7	167.9	-171.1	58.1	-137.7	-22.3	109	N981 T1021 T1022 L1023	N981-R1012 VanDerWaalsContact OD1-CZ 3.3Å; N981-R1012 PolarHBondContact OD1-NH1 2.89Å; N981-R1012 PolarHBondContact OD1-NH2 3.42Å; R1012-T1021 PolarHBondContact N-O 3.05Å; R1012-T1021 PolarHBondContact NE-OG1 2.92Å; R1012-T1021 VanDerWaalsContact NE-OG1 3.14Å; R1012-T1021 PolarHBondContact NH2-OG1 3.45Å; R1012-T1021 PolarHBondContact O-N 3.17Å; R1012-T1021 PolarHBondContact O-OG1 3.45Å; R1012-T1021 VanDerWaalsContact O-OG1 3.09Å; R1012-T1022 PolarHBondContact NH2-O 3.09Å; R1012-L1023 HydrophobicContact CB-CD1 4.1Å; R1012-L1023 HydrophobicContact CB-CD2 3.74Å; R1012-L1023 HydrophobicContact CB-CG 3.74Å
1013	L	94	Very high	89.2	Confident	23 Å²	23	55 Å²	55	12%	0.12	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.9	175.2	179.4	57	0	0	0	109.8	L987 F1002 L1004 G1018 E1019 L1020 V1038	L987-L1013 HydrophobicContact CD1-CD1 3.57Å; L987-L1013 HydrophobicContact CD1-CD2 3.69Å; L987-L1013 HydrophobicContact CD1-CG 4.3Å; L987-L1013 HydrophobicContact CG-CD1 4.17Å; F1002-L1013 HydrophobicContact CB-CD2 4.07Å; F1002-L1013 HydrophobicContact CB-CG 4.28Å; L1004-L1013 HydrophobicContact CB-CB 4.48Å; L1004-L1013 HydrophobicContact CB-CD2 4.47Å; L1013-G1018 VanDerWaalsContact CD1-O 3.28Å; L1013-G1018 WeakPolarHBondContact CD1-O 3.23Å; L1013-E1019 CarbonylContact C-O 3.6Å; L1013-E1019 WeakPolarHBondContact CA-O 3.38Å; L1013-L1020 HydrophobicContact CB-CD1 4.09Å; L1013-L1020 HydrophobicContact CD1-CD1 4.41Å; L1013-V1038 HydrophobicContact CD2-CG1 4Å
1014	N	93.2	Very high	89	Confident	63 Å²	63	51.1 Å²	51.1	34%	0.337	30%	0.302	S	S	.	.			trans	-77.9	119.5	172.7	-174.4	-19.9	0	0	0	109.7	S1016 T1017 G1018 E1019	N1014-S1016 VanDerWaalsContact C-N 3.32Å; N1014-S1016 PolarHBondContact O-N 3.25Å; N1014-S1016 PolarHBondContact OD1-N 2.99Å; N1014-S1016 PolarHBondContact OD1-OG 2.77Å; N1014-T1017 VanDerWaalsContact CB-OG1 3.29Å; N1014-T1017 WeakPolarHBondContact CB-OG1 3.33Å; N1014-T1017 PolarHBondContact ND2-OG1 2.04Å; N1014-G1018 PolarHBondContact O-N 2.89Å; N1014-E1019 HydrophobicContact CB-CB 4Å; N1014-E1019 PolarHBondContact N-O 3.1Å
1015	S	92.4	Very high	89	Confident	51 Å²	51	54.2 Å²	54.2	36%	0.357	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.2	-170.6	-170.9	0	0	0	0	114.1	H1001 F1002	H1001-S1015 PolarHBondContact ND1-OG 2.99Å; F1002-S1015 PolarHBondContact N-O 2.86Å; F1002-S1015 VanDerWaalsContact O-CA 3.29Å; F1002-S1015 WeakPolarHBondContact O-CA 3.45Å; F1002-S1015 VanDerWaalsContact O-CB 3.31Å; F1002-S1015 WeakPolarHBondContact O-CB 3.3Å; F1002-S1015 PolarHBondContact O-OG 3.46Å
1016	S	90.9	Very high	89.2	Confident	84 Å²	84	51.1 Å²	51.1	59%	0.587	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-8.6	-177.7	63.2	0	0	0	0	114.6	N1014	N1014-S1016 VanDerWaalsContact C-N 3.32Å; N1014-S1016 PolarHBondContact O-N 3.25Å; N1014-S1016 PolarHBondContact OD1-N 2.99Å; N1014-S1016 PolarHBondContact OD1-OG 2.77Å
1017	T	91.9	Very high	89.8	Confident	61 Å²	61	50.6 Å²	50.6	37%	0.374	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-9.6	179.2	69.5	0	0	0	0	114.1	I986 N1014 E1019	I986-T1017 WeakPolarHBondContact CD1-O 3.5Å; I986-T1017 WeakPolarHBondContact CG1-O 3.42Å; N1014-T1017 VanDerWaalsContact CB-OG1 3.29Å; N1014-T1017 WeakPolarHBondContact CB-OG1 3.33Å; N1014-T1017 PolarHBondContact ND2-OG1 2.04Å; T1017-E1019 PolarHBondContact O-N 3.26Å; T1017-E1019 VanDerWaalsContact OG1-CB 3.25Å; T1017-E1019 WeakPolarHBondContact OG1-CB 3.49Å; T1017-E1019 PolarHBondContact OG1-N 2.59Å
1018	G	93.3	Very high	91.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.			trans	69.9	3.2	-174.2	0	0	0	0	0	114.2	L987 L1013 N1014 L1020	L987-G1018 WeakPolarHBondContact CG-O 3.24Å; L987-G1018 PolarHBondContact N-O 3.49Å; L1013-G1018 VanDerWaalsContact CD1-O 3.28Å; L1013-G1018 WeakPolarHBondContact CD1-O 3.23Å; N1014-G1018 PolarHBondContact O-N 2.89Å; G1018-L1020 PolarHBondContact O-N 2.83Å
1019	E	95.1	Very high	92.4	Very high	68 Å²	68	45 Å²	45	32%	0.318	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.2	-177.2	-174.7	-171.3	174.9	0	0	112.1	Y983 L1013 N1014 T1017 T1021	Y983-E1019 HydrophobicContact CD2-CG 3.81Å; Y983-E1019 HydrophobicContact CE2-CG 3.96Å; L1013-E1019 CarbonylContact C-O 3.6Å; L1013-E1019 WeakPolarHBondContact CA-O 3.38Å; N1014-E1019 HydrophobicContact CB-CB 4Å; N1014-E1019 PolarHBondContact N-O 3.1Å; T1017-E1019 PolarHBondContact O-N 3.26Å; T1017-E1019 VanDerWaalsContact OG1-CB 3.25Å; T1017-E1019 WeakPolarHBondContact OG1-CB 3.49Å; T1017-E1019 PolarHBondContact OG1-N 2.59Å; E1019-T1021 HydrophobicContact CG-CG2 4.17Å
1020	L	94.9	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	179.8	-170.3	64.2	0	0	0	110.3	F972 V984 G985 F1011 L1013 G1018 L1036 V1054 I1056	F972-L1020 HydrophobicContact CD2-CD2 4.14Å; F972-L1020 HydrophobicContact CE2-CD2 4.25Å; V984-L1020 HydrophobicContact CB-CB 4.38Å; V984-L1020 HydrophobicContact CB-CD2 4.36Å; V984-L1020 HydrophobicContact CB-CG 4.23Å; V984-L1020 WeakPolarHBondContact CB-O 3.31Å; V984-L1020 HydrophobicContact CG1-CD2 4.2Å; V984-L1020 PolarHBondContact N-O 3.3Å; G985-L1020 PolarHBondContact O-N 3.07Å; F1011-L1020 HydrophobicContact CB-CD1 4.07Å; L1013-L1020 HydrophobicContact CB-CD1 4.09Å; L1013-L1020 HydrophobicContact CD1-CD1 4.41Å; G1018-L1020 PolarHBondContact O-N 2.83Å; L1020-L1036 HydrophobicContact CD1-CD1 4.21Å; L1020-L1036 HydrophobicContact CD2-CD1 4.07Å; L1020-V1054 HydrophobicContact CD2-CG1 4.13Å; L1020-I1056 HydrophobicContact CD2-CD1 3.91Å
1021	T	94.7	Very high	92.9	Very high	12 Å²	12	52.4 Å²	52.4	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.5	-176.4	56.7	0	0	0	0	112.1	T982 F1011 R1012 E1019	T982-T1021 CarbonylContact O-C 3.55Å; T982-T1021 VanDerWaalsContact O-CA 3.25Å; T982-T1021 WeakPolarHBondContact O-CA 3.24Å; F1011-T1021 CarbonylContact C-O 3.59Å; F1011-T1021 VanDerWaalsContact CA-O 3.29Å; F1011-T1021 WeakPolarHBondContact CA-O 3.27Å; R1012-T1021 PolarHBondContact N-O 3.05Å; R1012-T1021 PolarHBondContact NE-OG1 2.92Å; R1012-T1021 VanDerWaalsContact NE-OG1 3.14Å; R1012-T1021 PolarHBondContact NH2-OG1 3.45Å; R1012-T1021 PolarHBondContact O-N 3.17Å; R1012-T1021 PolarHBondContact O-OG1 3.45Å; R1012-T1021 VanDerWaalsContact O-OG1 3.09Å; E1019-T1021 HydrophobicContact CG-CG2 4.17Å
1022	T	94.9	Very high	92.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.3	171	61.5	0	0	0	0	111.7	I974 P979 N981 T982 V984 F1011 R1012 L1026	I974-T1022 HydrophobicContact CD1-CG2 3.55Å; P979-T1022 PolarHBondContact O-OG1 3.12Å; P979-T1022 VanDerWaalsContact O-OG1 3.11Å; N981-T1022 VanDerWaalsContact CA-O 3.31Å; N981-T1022 WeakPolarHBondContact CA-O 3.5Å; N981-T1022 PolarHBondContact N-O 3.34Å; N981-T1022 PolarHBondContact N-OG1 3.39Å; T982-T1022 PolarHBondContact N-OG1 3.12Å; T982-T1022 PolarHBondContact O-N 3.06Å; V984-T1022 HydrophobicContact CG2-CG2 4Å; F1011-T1022 HydrophobicContact CE1-CG2 4.4Å; R1012-T1022 PolarHBondContact NH2-O 3.09Å; T1022-L1026 HydrophobicContact CG2-CD1 4.12Å; T1022-L1026 HydrophobicContact CG2-CG 4.41Å
1023	L	91.8	Very high	92.8	Very high	71 Å²	71	53.3 Å²	53.3	37%	0.372	28%	0.282	S	S	.	.	S	Bend	trans	-100.6	-23.4	170.5	-80.6	175.8	0	0	0	113.3	S1009 N1010 F1011 R1012	S1009-L1023 WeakPolarHBondContact O-CB 3.32Å; N1010-L1023 PolarHBondContact O-N 2.74Å; F1011-L1023 WeakPolarHBondContact O-CD1 3.45Å; R1012-L1023 HydrophobicContact CB-CD1 4.1Å; R1012-L1023 HydrophobicContact CB-CD2 3.74Å; R1012-L1023 HydrophobicContact CB-CG 3.74Å
1024	Q	90.5	Very high	92.8	Very high	75 Å²	75	53.2 Å²	53.2	35%	0.35	28%	0.28	S	S	.	.	S	Bend	trans	-144.7	170.9	-179.4	61.1	179.7	24.9	0	0	109.8	N1010	N1010-Q1024 VanDerWaalsContact CG-NE2 3.3Å; N1010-Q1024 PolarHBondContact ND2-NE2 2.77Å; N1010-Q1024 PolarHBondContact OD1-NE2 2.99Å; N1010-Q1024 VanDerWaalsContact OD1-NE2 3.15Å
1025	L	91.8	Very high	92.7	Very high	98 Å²	98	55.6 Å²	55.6	51%	0.513	29%	0.289	S	S	.	.			trans	-59.1	138.4	165.8	-73.4	152.9	0	0	0	109.6	N977 Q978	N977-L1025 WeakPolarHBondContact O-CD2 3.48Å; Q978-L1025 WeakPolarHBondContact O-CD2 3.43Å
1026	L	92.6	Very high	92.8	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	27%	0.273	C	S	.	.			trans	-102.6	143.2	170.7	-54.2	-179.4	0	0	0	108.3	I974 E976 N977 N1010 F1011 T1022 Y1034 V1058	I974-L1026 HydrophobicContact CG2-CD1 3.91Å; E976-L1026 WeakPolarHBondContact CB-O 3.32Å; N977-L1026 PolarHBondContact N-O 3.37Å; N1010-L1026 HydrophobicContact CB-CD2 4.06Å; F1011-L1026 HydrophobicContact CE1-CD1 3.86Å; F1011-L1026 HydrophobicContact CZ-CD1 3.84Å; F1011-L1026 HydrophobicContact CZ-CD2 4.31Å; T1022-L1026 HydrophobicContact CG2-CD1 4.12Å; T1022-L1026 HydrophobicContact CG2-CG 4.41Å; L1026-Y1034 HydrophobicContact CD1-CE2 4.47Å; L1026-Y1034 HydrophobicContact CD2-CE2 4.38Å; L1026-V1058 HydrophobicContact CB-CG2 4.45Å; L1026-V1058 HydrophobicContact CD1-CG2 4.19Å
1027	D	92.7	Very high	92.9	Very high	52 Å²	52	53 Å²	53	28%	0.278	26%	0.264	S	S	.	.			trans	-129.3	137.7	170.1	90.2	67.5	0	0	0	108.1	K1030 Q1031	D1027-K1030 WeakPolarHBondContact OD1-CB 3.43Å; D1027-K1030 PolarHBondContact OD1-N 2.89Å; D1027-K1030 WeakPolarHBondContact OD2-CB 3.43Å; D1027-K1030 WeakPolarHBondContact OD2-CD 3.32Å; D1027-K1030 IonicContact OD2-NZ 3.71Å; D1027-Q1031 PolarHBondContact O-N 2.96Å
1028	R	94.3	Very high	93	Very high	26 Å²	26	50.1 Å²	50.1	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-86.3	-33.8	-165.1	-174.2	-143.3	61.3	116.8	0.6	111.5	E976 K1030 Q1031 S1032 V1058 D1060 P1098 E1100	E976-R1028 WeakPolarHBondContact OE1-CB 3.43Å; E976-R1028 WeakPolarHBondContact OE2-CB 3.44Å; E976-R1028 PolarHBondContact OE2-N 2.85Å; R1028-K1030 PolarHBondContact O-N 3.27Å; R1028-Q1031 CarbonylContact O-C 3.52Å; R1028-Q1031 PolarHBondContact O-N 2.73Å; R1028-S1032 WeakPolarHBondContact O-CA 3.46Å; R1028-S1032 PolarHBondContact O-N 2.94Å; R1028-V1058 HydrophobicContact CB-CB 4.32Å; R1028-V1058 HydrophobicContact CB-CG1 3.88Å; R1028-V1058 HydrophobicContact CG-CB 4.24Å; R1028-V1058 HydrophobicContact CG-CG1 4.27Å; R1028-D1060 WeakPolarHBondContact CD-OD1 3.11Å; R1028-D1060 IonicContact CZ-OD1 2.67Å; R1028-D1060 IonicContact NE-OD1 3.88Å; R1028-D1060 PolarHBondContact NE-OD1 3.33Å; R1028-D1060 IonicContact NH1-OD1 2.64Å; R1028-D1060 IonicContact NH2-OD1 2.7Å; R1028-D1060 PolarHBondContact NH2-OD1 2.98Å; R1028-P1098 PolarHBondContact NH2-O 3.26Å; R1028-E1100 IonicContact CZ-OE2 3.85Å; R1028-E1100 IonicContact NH1-OE2 2.87Å; R1028-E1100 PolarHBondContact NH1-OE2 3.47Å
1029	E	92.3	Very high	93	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-32.8	-179.8	-65.3	58.6	-112.1	0	0	110.6	H1064 P1098	E1029-H1064 IonicContact OE2-CE1 3.11Å; E1029-H1064 IonicContact OE2-ND1 2.72Å; E1029-P1098 HydrophobicContact CB-CB 4.42Å; E1029-P1098 HydrophobicContact CG-CB 3.47Å; E1029-P1098 VanDerWaalsContact CG-CB 3.47Å
1030	K	90.4	Very high	93	Very high	166 Å²	166	48 Å²	48	72%	0.722	24%	0.237	S	C	*	.	H	α-helix	trans	-80.7	-43.8	172.7	-176	-176.9	-178.4	-179.5	0	113.1	D1027 R1028	D1027-K1030 WeakPolarHBondContact OD1-CB 3.43Å; D1027-K1030 PolarHBondContact OD1-N 2.89Å; D1027-K1030 WeakPolarHBondContact OD2-CB 3.43Å; D1027-K1030 WeakPolarHBondContact OD2-CD 3.32Å; D1027-K1030 IonicContact OD2-NZ 3.71Å; R1028-K1030 PolarHBondContact O-N 3.27Å
1031	Q	92.1	Very high	93	Very high	88 Å²	88	50 Å²	50	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-157.3	94.8	175.2	-174.5	167.3	0.2	0	0	113.3	D1027 R1028 N1033 Y1034	D1027-Q1031 PolarHBondContact O-N 2.96Å; R1028-Q1031 CarbonylContact O-C 3.52Å; R1028-Q1031 PolarHBondContact O-N 2.73Å; Q1031-N1033 VanDerWaalsContact C-N 3.33Å; Q1031-N1033 VanDerWaalsContact CG-O 3.29Å; Q1031-N1033 WeakPolarHBondContact CG-O 3.46Å; Q1031-N1033 PolarHBondContact NE2-O 3.32Å; Q1031-N1033 PolarHBondContact O-N 3.41Å; Q1031-Y1034 HydrophobicContact CB-CE1 4.26Å; Q1031-Y1034 HydrophobicContact CB-CE2 4.44Å; Q1031-Y1034 HydrophobicContact CG-CD1 4.18Å; Q1031-Y1034 HydrophobicContact CG-CE1 3.74Å; Q1031-Y1034 HydrophobicContact CG-CE2 4.08Å; Q1031-Y1034 VanDerWaalsContact NE2-CD1 3.3Å; Q1031-Y1034 VanDerWaalsContact O-CE2 3.26Å; Q1031-Y1034 WeakPolarHBondContact O-CE2 3.39Å; Q1031-Y1034 VanDerWaalsContact OE1-CE1 3.28Å
1032	S	92.2	Very high	93	Very high	41 Å²	41	49.5 Å²	49.5	29%	0.287	24%	0.244	S	C	.	.	S	Bend	trans	-68.8	-22.9	178.6	64.2	0	0	0	0	115.2	R1028 V1058	R1028-S1032 WeakPolarHBondContact O-CA 3.46Å; R1028-S1032 PolarHBondContact O-N 2.94Å; S1032-V1058 PolarHBondContact O-N 3.05Å
1033	N	93.5	Very high	92.9	Very high	81 Å²	81	52.9 Å²	52.9	43%	0.433	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.1	-172.5	-77.3	-93.3	0	0	0	112	Q1031 I1056 H1057	Q1031-N1033 VanDerWaalsContact C-N 3.33Å; Q1031-N1033 VanDerWaalsContact CG-O 3.29Å; Q1031-N1033 WeakPolarHBondContact CG-O 3.46Å; Q1031-N1033 PolarHBondContact NE2-O 3.32Å; Q1031-N1033 PolarHBondContact O-N 3.41Å; N1033-I1056 WeakPolarHBondContact CA-O 3.38Å; N1033-H1057 PolarHBondContact OD1-CD2 2.89Å
1034	Y	92.9	Very high	92.8	Very high	21 Å²	21	49.7 Å²	49.7	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.9	175.6	-60.2	-92.8	0	0	0	110.8	N1010 F1011 L1026 Q1031 H1055 I1056 V1058	N1010-Y1034 HydrophobicContact CB-CE1 4.32Å; N1010-Y1034 WeakPolarHBondContact ND2-CE1 3.27Å; N1010-Y1034 PolarHBondContact ND2-OH 3.13Å; N1010-Y1034 VanDerWaalsContact ND2-OH 3.09Å; F1011-Y1034 AromaticContact CE2-CD1 3.72Å; F1011-Y1034 HydrophobicContact CE2-CD1 3.72Å; F1011-Y1034 AromaticContact CE2-CD2 3.93Å; F1011-Y1034 HydrophobicContact CE2-CD2 3.93Å; F1011-Y1034 HydrophobicContact CE2-CE1 4.23Å; F1011-Y1034 HydrophobicContact CE2-CE2 4.43Å; F1011-Y1034 AromaticContact CE2-CG 3.55Å; F1011-Y1034 HydrophobicContact CE2-CG 3.55Å; F1011-Y1034 HydrophobicContact CZ-CD1 4.4Å; F1011-Y1034 AromaticContact CZ-CD2 3.8Å; F1011-Y1034 HydrophobicContact CZ-CD2 3.8Å; F1011-Y1034 HydrophobicContact CZ-CE2 4.21Å; F1011-Y1034 AromaticContact CZ-CG 3.91Å; F1011-Y1034 HydrophobicContact CZ-CG 3.91Å; L1026-Y1034 HydrophobicContact CD1-CE2 4.47Å; L1026-Y1034 HydrophobicContact CD2-CE2 4.38Å; Q1031-Y1034 HydrophobicContact CB-CE1 4.26Å; Q1031-Y1034 HydrophobicContact CB-CE2 4.44Å; Q1031-Y1034 HydrophobicContact CG-CD1 4.18Å; Q1031-Y1034 HydrophobicContact CG-CE1 3.74Å; Q1031-Y1034 HydrophobicContact CG-CE2 4.08Å; Q1031-Y1034 VanDerWaalsContact NE2-CD1 3.3Å; Q1031-Y1034 VanDerWaalsContact O-CE2 3.26Å; Q1031-Y1034 WeakPolarHBondContact O-CE2 3.39Å; Q1031-Y1034 VanDerWaalsContact OE1-CE1 3.28Å; Y1034-H1055 WeakPolarHBondContact O-CA 3.12Å; Y1034-I1056 PolarHBondContact N-O 3.09Å; Y1034-I1056 PolarHBondContact O-N 3.47Å; Y1034-V1058 HydrophobicContact CD2-CG2 4.07Å; Y1034-V1058 HydrophobicContact CE2-CG2 3.64Å
1035	E	92.4	Very high	92.7	Very high	112 Å²	112	53 Å²	53	52%	0.523	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.8	167.3	-178.2	179.1	167	0	0	108.6	K1053	E1035-K1053 WeakPolarHBondContact OE1-CD 3.42Å; E1035-K1053 WeakPolarHBondContact OE1-CE 3.42Å; E1035-K1053 IonicContact OE1-NZ 2.68Å; E1035-K1053 PolarHBondContact OE1-NZ 3.01Å
1036	L	93	Very high	92.6	Very high	5 Å²	5	53 Å²	53	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148	172.2	-50.9	-178.5	0	0	0	109.7	L1004 T1008 F1011 L1020 K1053 V1054 I1056	L1004-L1036 HydrophobicContact CD1-CB 3.97Å; L1004-L1036 HydrophobicContact CD1-CD1 4.05Å; L1004-L1036 HydrophobicContact CD1-CD2 4.5Å; L1004-L1036 HydrophobicContact CD1-CG 4.41Å; T1008-L1036 HydrophobicContact CG2-CD2 3.63Å; F1011-L1036 HydrophobicContact CB-CD1 4.26Å; F1011-L1036 HydrophobicContact CD2-CD1 4.07Å; F1011-L1036 HydrophobicContact CD2-CD2 4.06Å; F1011-L1036 HydrophobicContact CG-CD1 4.22Å; L1020-L1036 HydrophobicContact CD1-CD1 4.21Å; L1020-L1036 HydrophobicContact CD2-CD1 4.07Å; L1036-K1053 CarbonylContact O-C 3.57Å; L1036-K1053 WeakPolarHBondContact O-CA 3.49Å; L1036-V1054 HydrophobicContact CB-CB 4.2Å; L1036-V1054 PolarHBondContact N-O 3.09Å; L1036-V1054 PolarHBondContact O-N 3.46Å; L1036-I1056 HydrophobicContact CD1-CD1 3.63Å; L1036-I1056 HydrophobicContact CG-CD1 4.11Å
1037	I	93.3	Very high	92.7	Very high	76 Å²	76	55.9 Å²	55.9	39%	0.39	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130	167.2	-54.5	178.6	0	0	0	107.9	L1005	L1005-I1037 HydrophobicContact CB-CB 4.28Å; L1005-I1037 HydrophobicContact CB-CG2 4.35Å; L1005-I1037 HydrophobicContact CD1-CG2 4.04Å; L1005-I1037 PolarHBondContact N-O 2.89Å
1038	V	93.6	Very high	92.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.1	-178	-66.4	0	0	0	0	109.6	F961 L987 L1004 L1013 T1051 A1052 V1054	F961-V1038 HydrophobicContact CE1-CG2 3.91Å; F961-V1038 HydrophobicContact CE2-CG2 4.46Å; F961-V1038 HydrophobicContact CZ-CB 4.23Å; F961-V1038 HydrophobicContact CZ-CG2 3.67Å; L987-V1038 HydrophobicContact CD1-CB 3.91Å; L987-V1038 HydrophobicContact CD1-CG1 3.74Å; L987-V1038 HydrophobicContact CD1-CG2 3.99Å; L1004-V1038 HydrophobicContact CD1-CG1 4.02Å; L1013-V1038 HydrophobicContact CD2-CG1 4Å; V1038-T1051 CarbonylContact O-C 3.47Å; V1038-T1051 WeakPolarHBondContact O-CA 3.41Å; V1038-A1052 HydrophobicContact CG2-CB 3.98Å; V1038-A1052 WeakPolarHBondContact CG2-O 3.24Å; V1038-A1052 PolarHBondContact N-O 3.16Å; V1038-A1052 PolarHBondContact O-N 3.14Å; V1038-V1054 HydrophobicContact CB-CG2 4.49Å; V1038-V1054 HydrophobicContact CG1-CG2 3.82Å; V1038-V1054 HydrophobicContact CG2-CG2 3.8Å
1039	L	94.1	Very high	92.8	Very high	25 Å²	25	58.8 Å²	58.8	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.2	-179.1	-179.9	73.1	0	0	0	108.1	F1002 R1003 L1005 I1041 A1050 T1051	F1002-L1039 CarbonylContact C-O 3.45Å; R1003-L1039 HydrophobicContact CB-CB 4.39Å; R1003-L1039 PolarHBondContact N-O 2.99Å; R1003-L1039 PolarHBondContact O-N 3.11Å; L1005-L1039 HydrophobicContact CD1-CB 3.97Å; L1005-L1039 HydrophobicContact CD2-CB 4.16Å; L1005-L1039 HydrophobicContact CD2-CD2 4.05Å; L1005-L1039 HydrophobicContact CG-CB 3.86Å; L1039-I1041 HydrophobicContact CD2-CD1 3.61Å; L1039-I1041 HydrophobicContact CD2-CG1 3.77Å; L1039-I1041 HydrophobicContact CG-CD1 4.15Å; L1039-I1041 HydrophobicContact CG-CG1 3.73Å; L1039-A1050 WeakPolarHBondContact CA-O 3.25Å; L1039-T1051 HydrophobicContact CB-CG2 4.49Å; L1039-T1051 HydrophobicContact CD1-CG2 3.58Å
1040	L	94.9	Very high	92.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.8	170.7	-177	65.5	0	0	0	107.2	P959 F961 L1000 F1002 S1049 A1050	P959-L1040 HydrophobicContact CB-CB 4.28Å; P959-L1040 HydrophobicContact CB-CD2 3.53Å; P959-L1040 HydrophobicContact CB-CG 3.56Å; F961-L1040 HydrophobicContact CD2-CB 4.26Å; F961-L1040 HydrophobicContact CE1-CB 4.08Å; F961-L1040 HydrophobicContact CE2-CB 3.61Å; F961-L1040 HydrophobicContact CZ-CB 3.53Å; L1000-L1040 HydrophobicContact CB-CD1 4.02Å; L1000-L1040 HydrophobicContact CD1-CD1 4.26Å; L1000-L1040 HydrophobicContact CD1-CD2 4.31Å; L1000-L1040 HydrophobicContact CD2-CD1 4.28Å; L1000-L1040 HydrophobicContact CD2-CD2 4.49Å; L1000-L1040 HydrophobicContact CD2-CG 4.23Å; L1000-L1040 HydrophobicContact CG-CD1 4.43Å; F1002-L1040 HydrophobicContact CD1-CD1 3.79Å; F1002-L1040 HydrophobicContact CD2-CD1 4.34Å; F1002-L1040 HydrophobicContact CE1-CD1 3.65Å; F1002-L1040 HydrophobicContact CE2-CD1 4.22Å; F1002-L1040 HydrophobicContact CG-CD1 4.14Å; F1002-L1040 HydrophobicContact CZ-CD1 3.88Å; L1040-S1049 CarbonylContact O-C 3.56Å; L1040-S1049 WeakPolarHBondContact O-CA 3.32Å; L1040-S1049 WeakPolarHBondContact O-CB 3.25Å; L1040-A1050 PolarHBondContact N-O 3.24Å; L1040-A1050 PolarHBondContact O-N 2.84Å
1041	I	94.8	Very high	93.1	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.205	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.5	-176.2	-37	175.7	0	0	0	108.6	L1000 H1001 L1039 S1047 R1048	L1000-I1041 CarbonylContact C-O 3.11Å; L1000-I1041 WeakPolarHBondContact CA-O 3.41Å; H1001-I1041 PolarHBondContact N-O 3.4Å; H1001-I1041 PolarHBondContact O-N 3.06Å; L1039-I1041 HydrophobicContact CD2-CD1 3.61Å; L1039-I1041 HydrophobicContact CD2-CG1 3.77Å; L1039-I1041 HydrophobicContact CG-CD1 4.15Å; L1039-I1041 HydrophobicContact CG-CG1 3.73Å; I1041-S1047 VanDerWaalsContact CG2-OG 3.3Å; I1041-S1047 WeakPolarHBondContact CG2-OG 3.23Å; I1041-R1048 WeakPolarHBondContact CA-O 3.38Å; I1041-R1048 WeakPolarHBondContact CG2-O 3.41Å
1042	D	95.3	Very high	93.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	27%	0.272	C	S	.	.			trans	-82.7	-171.3	164.4	60	48.7	0	0	0	112.8	N955 P959 N997 Q999 G1044 S1047 R1048	N955-D1042 PolarHBondContact ND2-OD1 3.17Å; N955-D1042 PolarHBondContact ND2-OD2 2.89Å; P959-D1042 HydrophobicContact CG-CB 4.1Å; N997-D1042 WeakPolarHBondContact O-CB 3.42Å; Q999-D1042 CarbonylContact O-C 3.52Å; Q999-D1042 WeakPolarHBondContact O-CA 3.49Å; D1042-G1044 PolarHBondContact OD1-N 2.78Å; D1042-S1047 PolarHBondContact O-OG 2.82Å; D1042-S1047 WeakPolarHBondContact OD1-CA 3.45Å; D1042-S1047 WeakPolarHBondContact OD1-CB 3.27Å; D1042-S1047 PolarHBondContact OD1-OG 2.75Å; D1042-R1048 VanDerWaalsContact CG-N 3.32Å; D1042-R1048 PolarHBondContact N-O 2.67Å; D1042-R1048 PolarHBondContact OD1-N 3.13Å; D1042-R1048 VanDerWaalsContact OD1-N 3.13Å; D1042-R1048 VanDerWaalsContact OD2-CA 3.27Å; D1042-R1048 WeakPolarHBondContact OD2-CA 3.41Å; D1042-R1048 WeakPolarHBondContact OD2-CB 3.47Å; D1042-R1048 PolarHBondContact OD2-N 2.89Å
1043	H	92.5	Very high	93.2	Very high	73 Å²	73	52.3 Å²	52.3	34%	0.338	28%	0.277	S	S	.	.			trans	-113.2	15	164.7	-72.6	168.4	0	0	0	113.7	E996 Q999 H1001 K1045	E996-H1043 HydrophobicContact CB-CB 4.32Å; E996-H1043 CarbonylContact O-C 3.59Å; E996-H1043 VanDerWaalsContact O-C 3.28Å; E996-H1043 VanDerWaalsContact O-CA 3.32Å; E996-H1043 WeakPolarHBondContact O-CA 3.23Å; E996-H1043 WeakPolarHBondContact O-CB 3.3Å; E996-H1043 PolarHBondContact O-N 2.91Å; Q999-H1043 HydrophobicContact CB-CB 4.29Å; Q999-H1043 VanDerWaalsContact CD-ND1 3.29Å; Q999-H1043 PolarHBondContact O-N 3.5Å; Q999-H1043 PolarHBondContact OE1-ND1 2.8Å; H1001-H1043 AromaticContact CD2-CE1 3.22Å; H1001-H1043 PolarHBondContact CD2-CE1 2.78Å; H1001-H1043 AromaticContact CD2-NE2 3.18Å; H1001-H1043 PolarHBondContact CD2-NE2 2.97Å; H1001-H1043 AromaticContact CG-NE2 3.83Å; H1001-H1043 AromaticContact NE2-CE1 3.39Å; H1001-H1043 PolarHBondContact NE2-CE1 3.39Å; H1001-H1043 AromaticContact NE2-NE2 3.69Å; H1043-K1045 PolarHBondContact O-NZ 2.93Å
1044	G	90	Very high	93.2	Very high	4 Å²	4	48.4 Å²	48.4	4%	0.041	26%	0.257	C	S	.	.			trans	-71.7	176.6	-174.5	0	0	0	0	0	114.3	E996 N997 D1042 P1046 S1047	E996-G1044 PolarHBondContact O-N 3.25Å; N997-G1044 WeakPolarHBondContact OD1-CA 3.3Å; D1042-G1044 PolarHBondContact OD1-N 2.78Å; G1044-P1046 VanDerWaalsContact C-C 3.45Å; G1044-P1046 CarbonylContact C-O 3.54Å; G1044-P1046 VanDerWaalsContact C-O 3.27Å; G1044-P1046 CarbonylContact O-C 3.57Å; G1044-P1046 VanDerWaalsContact O-C 3.3Å; G1044-S1047 VanDerWaalsContact O-CA 3.28Å; G1044-S1047 WeakPolarHBondContact O-CA 3.5Å; G1044-S1047 WeakPolarHBondContact O-CB 3.28Å; G1044-S1047 PolarHBondContact O-N 3.03Å; G1044-S1047 VanDerWaalsContact O-N 3.1Å
1045	K	88.1	Confident	93.3	Very high	144 Å²	144	50.1 Å²	50.1	63%	0.626	27%	0.265	S	S	*	.	S	Bend	trans	-137.2	100.4	-173.6	-63.4	173.6	-170.3	62	0	110.9	E996 H1043	E996-K1045 IonicContact OE1-NZ 2.88Å; E996-K1045 IonicContact OE2-NZ 3.92Å; E996-K1045 PolarHBondContact OE2-NZ 2.84Å; H1043-K1045 PolarHBondContact O-NZ 2.93Å
1046	P	90.8	Very high	93.4	Very high	98 Å²	98	44.8 Å²	44.8	64%	0.636	24%	0.24	S	C	*	.	S	Bend	cis	-64.2	154.2	-0.6	30.7	-36.9	0	0	0	111.9	N955 G1044	N955-P1046 PolarHBondContact ND2-O 2.94Å; G1044-P1046 VanDerWaalsContact C-C 3.45Å; G1044-P1046 CarbonylContact C-O 3.54Å; G1044-P1046 VanDerWaalsContact C-O 3.27Å; G1044-P1046 CarbonylContact O-C 3.57Å; G1044-P1046 VanDerWaalsContact O-C 3.3Å
1047	S	93.4	Very high	93.5	Very high	66 Å²	66	47.4 Å²	47.4	46%	0.462	25%	0.253	S	S	.	.			trans	-85.3	140.4	175.3	177.4	0	0	0	0	110.5	I1041 D1042 G1044	I1041-S1047 VanDerWaalsContact CG2-OG 3.3Å; I1041-S1047 WeakPolarHBondContact CG2-OG 3.23Å; D1042-S1047 PolarHBondContact O-OG 2.82Å; D1042-S1047 WeakPolarHBondContact OD1-CA 3.45Å; D1042-S1047 WeakPolarHBondContact OD1-CB 3.27Å; D1042-S1047 PolarHBondContact OD1-OG 2.75Å; G1044-S1047 VanDerWaalsContact O-CA 3.28Å; G1044-S1047 WeakPolarHBondContact O-CA 3.5Å; G1044-S1047 WeakPolarHBondContact O-CB 3.28Å; G1044-S1047 PolarHBondContact O-N 3.03Å; G1044-S1047 VanDerWaalsContact O-N 3.1Å
1048	R	94.2	Very high	93.5	Very high	80 Å²	80	43.8 Å²	43.8	30%	0.302	23%	0.234	S	C	.	.			trans	-119.5	165.5	-177.6	-52.3	179.3	178	-144.9	5.3	110.4	N955 D956 N957 T958 I1041 D1042	N955-R1048 PolarHBondContact O-NE 2.63Å; N955-R1048 PolarHBondContact O-NH2 2.82Å; N955-R1048 WeakPolarHBondContact OD1-CD 3.24Å; N955-R1048 PolarHBondContact OD1-NE 2.81Å; D956-R1048 VanDerWaalsContact CA-NH2 3.27Å; D956-R1048 PolarHBondContact O-NH1 3.32Å; D956-R1048 PolarHBondContact O-NH2 2.85Å; D956-R1048 VanDerWaalsContact O-NH2 3.15Å; N957-R1048 WeakPolarHBondContact O-CD 3.14Å; N957-R1048 VanDerWaalsContact O-CZ 3.25Å; N957-R1048 PolarHBondContact O-NE 2.7Å; N957-R1048 PolarHBondContact O-NH1 3.23Å; T958-R1048 HydrophobicContact CG2-CB 4.36Å; I1041-R1048 WeakPolarHBondContact CA-O 3.38Å; I1041-R1048 WeakPolarHBondContact CG2-O 3.41Å; D1042-R1048 VanDerWaalsContact CG-N 3.32Å; D1042-R1048 PolarHBondContact N-O 2.67Å; D1042-R1048 PolarHBondContact OD1-N 3.13Å; D1042-R1048 VanDerWaalsContact OD1-N 3.13Å; D1042-R1048 VanDerWaalsContact OD2-CA 3.27Å; D1042-R1048 WeakPolarHBondContact OD2-CA 3.41Å; D1042-R1048 WeakPolarHBondContact OD2-CB 3.47Å; D1042-R1048 PolarHBondContact OD2-N 2.89Å
1049	S	95	Very high	93.5	Very high	59 Å²	59	46.2 Å²	46.2	41%	0.413	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	149.8	-172.7	65.5	0	0	0	0	113.7	L1040	L1040-S1049 CarbonylContact O-C 3.56Å; L1040-S1049 WeakPolarHBondContact O-CA 3.32Å; L1040-S1049 WeakPolarHBondContact O-CB 3.25Å
1050	A	94.4	Very high	93.4	Very high	29 Å²	29	46.6 Å²	46.6	24%	0.24	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	160.5	167.6	0	0	0	0	0	112.2	P959 F961 L1039 L1040	P959-A1050 WeakPolarHBondContact O-CB 3.48Å; F961-A1050 HydrophobicContact CD2-CB 4.49Å; F961-A1050 WeakPolarHBondContact CE2-O 3Å; L1039-A1050 WeakPolarHBondContact CA-O 3.25Å; L1040-A1050 PolarHBondContact N-O 3.24Å; L1040-A1050 PolarHBondContact O-N 2.84Å
1051	T	94.4	Very high	93.2	Very high	85 Å²	85	49.7 Å²	49.7	52%	0.521	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.6	176.8	54.9	0	0	0	0	112.1	L1005 V1038 L1039	L1005-T1051 HydrophobicContact CD1-CG2 4.05Å; V1038-T1051 CarbonylContact O-C 3.47Å; V1038-T1051 WeakPolarHBondContact O-CA 3.41Å; L1039-T1051 HydrophobicContact CB-CG2 4.49Å; L1039-T1051 HydrophobicContact CD1-CG2 3.58Å
1052	A	92.9	Very high	93.1	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	163.6	170.6	0	0	0	0	0	111.4	F961 L964 Y970 V1038	F961-A1052 HydrophobicContact CB-CB 4.31Å; F961-A1052 HydrophobicContact CD1-CB 4.23Å; F961-A1052 HydrophobicContact CD2-CB 3.49Å; F961-A1052 VanDerWaalsContact CD2-CB 3.49Å; F961-A1052 HydrophobicContact CE1-CB 4.39Å; F961-A1052 HydrophobicContact CE2-CB 3.68Å; F961-A1052 HydrophobicContact CG-CB 3.77Å; F961-A1052 HydrophobicContact CZ-CB 4.12Å; L964-A1052 HydrophobicContact CD1-CB 4.49Å; L964-A1052 HydrophobicContact CD2-CB 3.91Å; Y970-A1052 HydrophobicContact CE2-CB 4.5Å; V1038-A1052 HydrophobicContact CG2-CB 3.98Å; V1038-A1052 WeakPolarHBondContact CG2-O 3.24Å; V1038-A1052 PolarHBondContact N-O 3.16Å; V1038-A1052 PolarHBondContact O-N 3.14Å
1053	K	93.3	Very high	92.8	Very high	93 Å²	93	50.6 Å²	50.6	40%	0.404	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	148.7	168.3	-67.9	-171.7	176.5	-156.2	0	110.8	C969 Y970 E1035 L1036	C969-K1053 CarbonylContact C-O 3.6Å; C969-K1053 WeakPolarHBondContact CA-O 3.45Å; C969-K1053 HydrophobicContact CB-CB 3.76Å; C969-K1053 WeakPolarHBondContact CB-O 3.04Å; Y970-K1053 PolarHBondContact N-O 2.81Å; E1035-K1053 WeakPolarHBondContact OE1-CD 3.42Å; E1035-K1053 WeakPolarHBondContact OE1-CE 3.42Å; E1035-K1053 IonicContact OE1-NZ 2.68Å; E1035-K1053 PolarHBondContact OE1-NZ 3.01Å; L1036-K1053 CarbonylContact O-C 3.57Å; L1036-K1053 WeakPolarHBondContact O-CA 3.49Å
1054	V	94.1	Very high	92.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.2	168.3	-171.6	0	0	0	0	108	Y970 F972 L987 L1020 L1036 V1038 I1056	Y970-V1054 HydrophobicContact CD2-CG2 4.17Å; F972-V1054 HydrophobicContact CD2-CG1 3.42Å; F972-V1054 VanDerWaalsContact CD2-CG1 3.42Å; F972-V1054 HydrophobicContact CE2-CG1 3.61Å; L987-V1054 HydrophobicContact CD2-CG2 3.71Å; L1020-V1054 HydrophobicContact CD2-CG1 4.13Å; L1036-V1054 HydrophobicContact CB-CB 4.2Å; L1036-V1054 PolarHBondContact N-O 3.09Å; L1036-V1054 PolarHBondContact O-N 3.46Å; V1038-V1054 HydrophobicContact CB-CG2 4.49Å; V1038-V1054 HydrophobicContact CG1-CG2 3.82Å; V1038-V1054 HydrophobicContact CG2-CG2 3.8Å; V1054-I1056 HydrophobicContact CG1-CG1 4.03Å
1055	H	94.1	Very high	92.7	Very high	56 Å²	56	53.5 Å²	53.5	26%	0.259	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.6	170.5	-61.7	153.1	0	0	0	108.8	Y970 H971 F972 Y1034	Y970-H1055 PolarHBondContact O-N 2.99Å; H971-H1055 AromaticContact CD2-ND1 3.69Å; H971-H1055 AromaticContact NE2-ND1 3.2Å; H971-H1055 PolarHBondContact NE2-ND1 2.99Å; H971-H1055 VanDerWaalsContact NE2-ND1 3.2Å; F972-H1055 PolarHBondContact N-O 2.74Å; Y1034-H1055 WeakPolarHBondContact O-CA 3.12Å
1056	I	94.6	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.8	177.5	-51.2	162	0	0	0	107.8	F972 I974 V984 F1011 L1020 N1033 Y1034 L1036 V1054	F972-I1056 HydrophobicContact CB-CG1 4.48Å; F972-I1056 WeakPolarHBondContact O-CA 3.42Å; I974-I1056 HydrophobicContact CG2-CG2 3.89Å; V984-I1056 HydrophobicContact CG1-CD1 4.16Å; V984-I1056 HydrophobicContact CG1-CG1 4.12Å; V984-I1056 HydrophobicContact CG1-CG2 3.83Å; F1011-I1056 HydrophobicContact CD1-CD1 3.92Å; F1011-I1056 HydrophobicContact CD2-CD1 4.08Å; F1011-I1056 HydrophobicContact CE1-CD1 3.62Å; F1011-I1056 HydrophobicContact CE1-CG2 4.33Å; F1011-I1056 HydrophobicContact CE2-CD1 3.81Å; F1011-I1056 HydrophobicContact CG-CD1 4.14Å; F1011-I1056 HydrophobicContact CZ-CB 4.48Å; F1011-I1056 HydrophobicContact CZ-CD1 3.56Å; F1011-I1056 HydrophobicContact CZ-CG2 4.23Å; L1020-I1056 HydrophobicContact CD2-CD1 3.91Å; N1033-I1056 WeakPolarHBondContact CA-O 3.38Å; Y1034-I1056 PolarHBondContact N-O 3.09Å; Y1034-I1056 PolarHBondContact O-N 3.47Å; L1036-I1056 HydrophobicContact CD1-CD1 3.63Å; L1036-I1056 HydrophobicContact CG-CD1 4.11Å; V1054-I1056 HydrophobicContact CG1-CG1 4.03Å
1057	H	94.8	Very high	93	Very high	61 Å²	61	46.5 Å²	46.5	28%	0.282	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.2	174	-170.5	-64.7	0	0	0	109.2	F972 R973 I974 N1033	F972-H1057 PolarHBondContact O-N 2.89Å; R973-H1057 WeakPolarHBondContact CA-O 3.48Å; R973-H1057 HydrophobicContact CG-CB 4.36Å; I974-H1057 PolarHBondContact N-O 2.87Å; N1033-H1057 PolarHBondContact OD1-CD2 2.89Å
1058	V	94.9	Very high	92.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.1	169.9	-173.1	0	0	0	0	108.1	I974 E976 L1026 R1028 S1032 Y1034	I974-V1058 CarbonylContact O-C 3.41Å; I974-V1058 VanDerWaalsContact O-CA 3.23Å; I974-V1058 WeakPolarHBondContact O-CA 2.99Å; E976-V1058 HydrophobicContact CB-CG1 3.62Å; L1026-V1058 HydrophobicContact CB-CG2 4.45Å; L1026-V1058 HydrophobicContact CD1-CG2 4.19Å; R1028-V1058 HydrophobicContact CB-CB 4.32Å; R1028-V1058 HydrophobicContact CB-CG1 3.88Å; R1028-V1058 HydrophobicContact CG-CB 4.24Å; R1028-V1058 HydrophobicContact CG-CG1 4.27Å; S1032-V1058 PolarHBondContact O-N 3.05Å; Y1034-V1058 HydrophobicContact CD2-CG2 4.07Å; Y1034-V1058 HydrophobicContact CE2-CG2 3.64Å
1059	T	93.7	Very high	92.5	Very high	50 Å²	50	43.6 Å²	43.6	31%	0.307	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.2	178.8	61.8	0	0	0	0	111.4	R973 I974 A975 E976	R973-T1059 HydrophobicContact CB-CG2 4.31Å; I974-T1059 PolarHBondContact O-N 3.3Å; A975-T1059 WeakPolarHBondContact CA-O 3.14Å; A975-T1059 VanDerWaalsContact CA-OG1 3.3Å; A975-T1059 WeakPolarHBondContact CA-OG1 3.44Å; E976-T1059 PolarHBondContact N-O 3.03Å
1060	D	92	Very high	92.1	Very high	34 Å²	34	43.6 Å²	43.6	18%	0.182	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-53	136.3	-175.1	-162.9	88.8	0	0	0	115	E976 R1028 E1100 N1103	E976-D1060 WeakPolarHBondContact OE1-CA 3.43Å; R1028-D1060 WeakPolarHBondContact CD-OD1 3.11Å; R1028-D1060 IonicContact CZ-OD1 2.67Å; R1028-D1060 IonicContact NE-OD1 3.88Å; R1028-D1060 PolarHBondContact NE-OD1 3.33Å; R1028-D1060 IonicContact NH1-OD1 2.64Å; R1028-D1060 IonicContact NH2-OD1 2.7Å; R1028-D1060 PolarHBondContact NH2-OD1 2.98Å; D1060-E1100 HydrophobicContact CB-CB 3.78Å; D1060-E1100 VanDerWaalsContact CG-CB 3.45Å; D1060-E1100 VanDerWaalsContact OD1-CB 3.24Å; D1060-E1100 WeakPolarHBondContact OD1-CB 3.24Å; D1060-E1100 PolarHBondContact OD1-N 2.79Å; D1060-E1100 PolarHBondContact OD2-N 3.47Å; D1060-N1103 WeakPolarHBondContact OD2-CB 3.41Å; D1060-N1103 PolarHBondContact OD2-ND2 3.07Å
1061	I	90.9	Very high	91.7	Very high	65 Å²	65	42.4 Å²	42.4	33%	0.333	22%	0.221	S	C	.	.			trans	-129.4	128.5	166.7	-60.3	179.1	0	0	0	107.9	A975 E976 D1063	A975-I1061 HydrophobicContact CB-CD1 3.96Å; A975-I1061 HydrophobicContact CB-CG1 4.32Å; E976-I1061 HydrophobicContact CG-CB 3.97Å; E976-I1061 HydrophobicContact CG-CD1 4.18Å; E976-I1061 HydrophobicContact CG-CG1 4.02Å; E976-I1061 VanDerWaalsContact O-CD1 3.31Å; E976-I1061 WeakPolarHBondContact O-CD1 3.3Å; E976-I1061 PolarHBondContact OE1-N 3.16Å; I1061-D1063 WeakPolarHBondContact O-CB 3.38Å; I1061-D1063 PolarHBondContact O-N 2.68Å
1062	N	91.7	Very high	90.8	Very high	14 Å²	14	41.5 Å²	41.5	8%	0.075	22%	0.215	C	C	.	.			trans	-56.9	88.7	-177.7	-156.4	71.7	0	0	0	113.1	D1099 N1103 D1150 P1154	N1062-D1099 VanDerWaalsContact CA-OD2 3.29Å; N1062-D1099 WeakPolarHBondContact CA-OD2 3.38Å; N1062-N1103 HydrophobicContact CB-CB 4.16Å; N1062-N1103 PolarHBondContact N-ND2 3.24Å; N1062-N1103 WeakPolarHBondContact OD1-CA 3.43Å; N1062-N1103 WeakPolarHBondContact OD1-CB 2.86Å; N1062-N1103 VanDerWaalsContact OD1-CG 3.28Å; N1062-N1103 PolarHBondContact OD1-O 2.64Å; N1062-D1150 PolarHBondContact ND2-OD2 3.29Å; N1062-D1150 PolarHBondContact OD1-OD2 3.11Å; N1062-P1154 PolarHBondContact ND2-O 2.9Å
1063	D	90.1	Very high	89.6	Confident	47 Å²	47	48.6 Å²	48.6	25%	0.251	25%	0.252	S	S	.	.			trans	-126.7	-8.9	-167.4	111.4	-24.9	0	0	0	115.5	N977 I1061 D1099 R1156	N977-D1063 PolarHBondContact ND2-OD2 2.7Å; I1061-D1063 WeakPolarHBondContact O-CB 3.38Å; I1061-D1063 PolarHBondContact O-N 2.68Å; D1063-D1099 PolarHBondContact N-OD2 2.88Å; D1063-R1156 PolarHBondContact O-NH1 3.08Å; D1063-R1156 PolarHBondContact O-NH2 2.9Å; D1063-R1156 VanDerWaalsContact O-NH2 3.1Å
1064	H	88.9	Confident	88	Confident	63 Å²	63	46.5 Å²	46.5	29%	0.292	26%	0.257	S	S	.	.	S	Bend	trans	-99.9	168.2	168.4	-70.5	73.7	0	0	0	113.6	E1029 P1098 D1099 R1156	E1029-H1064 IonicContact OE2-CE1 3.11Å; E1029-H1064 IonicContact OE2-ND1 2.72Å; H1064-P1098 HydrophobicContact CB-CB 4.33Å; H1064-P1098 HydrophobicContact CB-CG 3.87Å; H1064-D1099 VanDerWaalsContact CB-OD1 3.31Å; H1064-D1099 WeakPolarHBondContact CB-OD1 3.38Å; H1064-D1099 IonicContact CG-OD1 2.79Å; H1064-D1099 PolarHBondContact N-OD2 3.48Å; H1064-D1099 IonicContact ND1-OD1 2.69Å; H1064-D1099 PolarHBondContact ND1-OD1 2.78Å; H1064-R1156 WeakPolarHBondContact O-CD 3.34Å; H1064-R1156 PolarHBondContact O-NE 3.06Å
1065	D	90.7	Very high	86.3	Confident	75 Å²	75	55.2 Å²	55.2	40%	0.401	30%	0.295	S	S	.	.			trans	-111.9	142.9	173.1	-60.7	-61	0	0	0	110.1	I1067 R1156	D1065-I1067 WeakPolarHBondContact O-CG1 3.11Å; D1065-I1067 PolarHBondContact O-N 2.98Å; D1065-I1067 VanDerWaalsContact O-N 3.08Å; D1065-R1156 IonicContact OD1-CZ 3.12Å; D1065-R1156 VanDerWaalsContact OD1-CZ 3.31Å; D1065-R1156 IonicContact OD1-NE 3.73Å; D1065-R1156 PolarHBondContact OD1-NE 3.22Å; D1065-R1156 IonicContact OD1-NH2 2.74Å; D1065-R1156 PolarHBondContact OD1-NH2 3.1Å; D1065-R1156 IonicContact OD2-CZ 2.73Å; D1065-R1156 IonicContact OD2-NH2 3.38Å; D1065-R1156 PolarHBondContact OD2-NH2 2.72Å
1066	P	93.3	Very high	85.2	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.			trans	-49	112.8	-179	-30	31.1	0	0	0	114.5	D1097 L1106 I1148 T1158	P1066-D1097 VanDerWaalsContact CA-OD2 3.27Å; P1066-D1097 WeakPolarHBondContact CA-OD2 3.31Å; P1066-D1097 WeakPolarHBondContact CD-OD2 3.37Å; P1066-D1097 WeakPolarHBondContact CG-OD2 3.47Å; P1066-L1106 HydrophobicContact CB-CD2 3.72Å; P1066-L1106 HydrophobicContact CG-CD2 3.75Å; P1066-I1148 HydrophobicContact CB-CB 4.41Å; P1066-I1148 HydrophobicContact CB-CG2 3.83Å; P1066-T1158 WeakPolarHBondContact O-CB 3.5Å; P1066-T1158 WeakPolarHBondContact O-CG2 3.28Å; P1066-T1158 PolarHBondContact O-OG1 3.4Å
1067	I	91.1	Very high	84.3	Confident	94 Å²	94	57.7 Å²	57.7	48%	0.482	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.6	-173.5	-51.8	179.5	0	0	0	110.5	D1065 A1095 R1096 P1098	D1065-I1067 WeakPolarHBondContact O-CG1 3.11Å; D1065-I1067 PolarHBondContact O-N 2.98Å; D1065-I1067 VanDerWaalsContact O-N 3.08Å; I1067-A1095 CarbonylContact O-C 3.54Å; I1067-A1095 WeakPolarHBondContact O-CA 3.35Å; I1067-A1095 WeakPolarHBondContact O-CB 3.48Å; I1067-R1096 WeakPolarHBondContact CA-O 3.13Å; I1067-R1096 WeakPolarHBondContact CB-O 3.44Å; I1067-R1096 PolarHBondContact N-O 2.81Å; I1067-R1096 PolarHBondContact O-N 3.49Å; I1067-P1098 HydrophobicContact CD1-CG 3.84Å
1068	V	89.5	Confident	83.8	Confident	32 Å²	32	56 Å²	56	19%	0.194	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.8	-175.7	-166	0	0	0	0	112.5	I1148 T1158 V1160	V1068-I1148 HydrophobicContact CG1-CD1 4.18Å; V1068-I1148 HydrophobicContact CG2-CD1 3.82Å; V1068-T1158 HydrophobicContact CG2-CG2 3.67Å; V1068-V1160 HydrophobicContact CG1-CB 4.15Å; V1068-V1160 HydrophobicContact CG1-CG1 4.19Å; V1068-V1160 HydrophobicContact CG1-CG2 4.05Å; V1068-V1160 HydrophobicContact CG2-CB 4.28Å
1069	V	88.4	Confident	83.3	Confident	54 Å²	54	58.9 Å²	58.9	33%	0.327	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-28.3	-179.7	178.4	0	0	0	0	112	V1072 E1094 R1096	V1069-V1072 WeakPolarHBondContact O-CG2 3.36Å; V1069-E1094 CarbonylContact C-O 3.46Å; V1069-E1094 WeakPolarHBondContact CA-O 3.17Å; V1069-E1094 HydrophobicContact CB-CB 3.85Å; V1069-E1094 HydrophobicContact CG1-CB 4.13Å; V1069-E1094 PolarHBondContact N-O 3Å; V1069-R1096 HydrophobicContact CG2-CG 3.98Å
1070	F	86.1	Confident	83	Confident	58 Å²	58	56.9 Å²	56.9	25%	0.254	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	133.3	168	-177.7	-90.8	0	0	0	111.6	I1078 R1092 I1093 E1094	F1070-I1078 HydrophobicContact CE1-CD1 4.23Å; F1070-I1078 HydrophobicContact CZ-CD1 4.15Å; F1070-R1092 VanDerWaalsContact CD1-O 3.25Å; F1070-R1092 WeakPolarHBondContact CD1-O 3.37Å; F1070-I1093 WeakPolarHBondContact O-CG2 3.36Å; F1070-E1094 HydrophobicContact CB-CB 4Å; F1070-E1094 HydrophobicContact CB-CG 4.3Å; F1070-E1094 PolarHBondContact N-O 3.49Å; F1070-E1094 PolarHBondContact O-N 2.76Å
1071	P	85.9	Confident	82.8	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.032	30%	0.304	C	S	.	.	S	Bend	cis	-86.3	137.7	-0.1	34.8	-36.3	0	0	0	113.1	V1160 L1162	P1071-V1160 HydrophobicContact CG-CG2 3.76Å; P1071-V1160 WeakPolarHBondContact O-CG2 3.5Å; P1071-L1162 HydrophobicContact CB-CD1 4.28Å; P1071-L1162 HydrophobicContact CG-CB 4.09Å; P1071-L1162 HydrophobicContact CG-CD1 4.04Å
1072	V	76.2	Confident	82.7	Confident	65 Å²	65	54.1 Å²	54.1	39%	0.394	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-97.6	129.3	-177.7	-171.2	0	0	0	0	111.4	V1069 G1074 K1075	V1069-V1072 WeakPolarHBondContact O-CG2 3.36Å; V1072-G1074 VanDerWaalsContact C-N 3.27Å; V1072-G1074 PolarHBondContact O-N 3.17Å; V1072-G1074 VanDerWaalsContact O-N 3.09Å; V1072-K1075 WeakPolarHBondContact O-CA 3.39Å; V1072-K1075 WeakPolarHBondContact O-CB 3.25Å; V1072-K1075 PolarHBondContact O-N 3.5Å
1073	N	66.9	Low	82.5	Confident	155 Å²	155	58.4 Å²	58.4	83%	0.829	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	40.8	167.7	-64.4	-24.8	0	0	0	114.8	K1075	N1073-K1075 PolarHBondContact O-N 3.49Å
1074	G	59.5	Low	82.2	Confident	48 Å²	48	56.9 Å²	56.9	50%	0.495	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	2.6	-177.6	0	0	0	0	0	115.4	V1072 G1076 N1077	V1072-G1074 VanDerWaalsContact C-N 3.27Å; V1072-G1074 PolarHBondContact O-N 3.17Å; V1072-G1074 VanDerWaalsContact O-N 3.09Å; G1074-G1076 VanDerWaalsContact C-N 3.32Å; G1074-G1076 PolarHBondContact O-N 2.04Å; G1074-N1077 PolarHBondContact O-OD1 2.76Å
1075	K	60.1	Low	82.1	Confident	184 Å²	184	57.3 Å²	57.3	80%	0.8	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-90.2	66.4	173.3	-65	-178.1	179.5	176.7	0	110.4	V1072 N1073	V1072-K1075 WeakPolarHBondContact O-CA 3.39Å; V1072-K1075 WeakPolarHBondContact O-CB 3.25Å; V1072-K1075 PolarHBondContact O-N 3.5Å; N1073-K1075 PolarHBondContact O-N 3.49Å
1076	G	69.3	Low	82	Confident	10 Å²	10	57.2 Å²	57.2	10%	0.103	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-161.6	20.3	177	0	0	0	0	0	114.2	G1074 I1078 L1162	G1074-G1076 VanDerWaalsContact C-N 3.32Å; G1074-G1076 PolarHBondContact O-N 2.04Å; G1076-I1078 WeakPolarHBondContact O-CG1 3.48Å; G1076-I1078 PolarHBondContact O-N 3.06Å; G1076-L1162 WeakPolarHBondContact O-CD1 3.31Å
1077	N	76	Confident	81.7	Confident	98 Å²	98	59.2 Å²	59.2	52%	0.524	34%	0.335	S	S	.	.			trans	-71.7	123.1	-173.4	-57.5	-7.7	0	0	0	110.6	G1074 L1163	G1074-N1077 PolarHBondContact O-OD1 2.76Å; N1077-L1163 CarbonylContact C-O 3.6Å; N1077-L1163 VanDerWaalsContact CA-O 3.27Å; N1077-L1163 WeakPolarHBondContact CA-O 3.43Å; N1077-L1163 HydrophobicContact CB-CB 4.26Å
1078	I	84.1	Confident	81.5	Confident	24 Å²	24	59 Å²	59	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.6	-170.9	-70.3	158.5	0	0	0	110.4	F1070 G1076 V1080 V1090 A1091 L1162 L1163 V1164 K1165	F1070-I1078 HydrophobicContact CE1-CD1 4.23Å; F1070-I1078 HydrophobicContact CZ-CD1 4.15Å; G1076-I1078 WeakPolarHBondContact O-CG1 3.48Å; G1076-I1078 PolarHBondContact O-N 3.06Å; I1078-V1080 HydrophobicContact CG2-CG2 3.91Å; I1078-V1090 HydrophobicContact CB-CG1 4.48Å; I1078-V1090 HydrophobicContact CG2-CG1 3.83Å; I1078-A1091 HydrophobicContact CD1-CB 3.51Å; I1078-L1162 HydrophobicContact CD1-CD1 4.23Å; I1078-L1163 PolarHBondContact N-O 3.15Å; I1078-V1164 CarbonylContact O-C 3.59Å; I1078-V1164 WeakPolarHBondContact O-CA 3.3Å; I1078-K1165 PolarHBondContact O-N 3.01Å
1079	S	85.1	Confident	81.5	Confident	62 Å²	62	61.5 Å²	61.5	43%	0.434	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.8	171.8	60.3	0	0	0	0	112	K1165 R1172	S1079-K1165 CarbonylContact C-O 3.56Å; S1079-K1165 VanDerWaalsContact CA-O 3.27Å; S1079-K1165 WeakPolarHBondContact CA-O 3.35Å; S1079-R1172 PolarHBondContact O-NE 3.47Å; S1079-R1172 VanDerWaalsContact O-NE 3.07Å; S1079-R1172 PolarHBondContact O-NH2 3.3Å
1080	V	87.4	Confident	81.5	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.6	-175.4	-171.8	0	0	0	0	108.4	I1078 E1084 V1090 I1130 V1164 K1165 I1166 T1167	I1078-V1080 HydrophobicContact CG2-CG2 3.91Å; V1080-E1084 HydrophobicContact CG1-CB 4.29Å; V1080-E1084 HydrophobicContact CG1-CG 3.58Å; V1080-V1090 HydrophobicContact CG2-CB 4.49Å; V1080-V1090 HydrophobicContact CG2-CG1 3.73Å; V1080-V1090 HydrophobicContact CG2-CG2 4.2Å; V1080-I1130 HydrophobicContact CG1-CD1 3.78Å; V1080-V1164 HydrophobicContact CG2-CG1 3.68Å; V1080-K1165 PolarHBondContact N-O 2.74Å; V1080-I1166 CarbonylContact O-C 3.57Å; V1080-I1166 WeakPolarHBondContact O-CA 3.42Å; V1080-T1167 PolarHBondContact O-N 3.06Å; V1080-T1167 PolarHBondContact O-OG1 2.63Å
1081	S	87.4	Confident	81.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	145.6	171.1	-173.2	0	0	0	0	110.8	R1083 E1084 L1134 T1167 S1169	S1081-R1083 PolarHBondContact O-N 3.44Å; S1081-R1083 VanDerWaalsContact O-N 3.12Å; S1081-R1083 WeakPolarHBondContact OG-CB 3.39Å; S1081-R1083 PolarHBondContact OG-N 2.89Å; S1081-E1084 WeakPolarHBondContact CB-OE1 3.02Å; S1081-E1084 WeakPolarHBondContact O-CG 3.43Å; S1081-E1084 PolarHBondContact O-N 3.23Å; S1081-L1134 WeakPolarHBondContact O-CD1 2.91Å; S1081-T1167 WeakPolarHBondContact CA-O 3.49Å; S1081-S1169 PolarHBondContact OG-O 2.89Å
1082	Y	89.6	Confident	81.8	Confident	41 Å²	41	63.5 Å²	63.5	16%	0.161	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-2	163	90.3	-81.4	0	0	0	112.6	L1134 L1136 I1139 T1167 D1168	Y1082-L1134 VanDerWaalsContact O-CB 3.31Å; Y1082-L1134 WeakPolarHBondContact O-CB 3.47Å; Y1082-L1136 HydrophobicContact CD1-CD2 4.45Å; Y1082-L1136 HydrophobicContact CD2-CD2 4.26Å; Y1082-L1136 HydrophobicContact CD2-CG 4.46Å; Y1082-L1136 HydrophobicContact CE1-CD2 3.86Å; Y1082-L1136 HydrophobicContact CE2-CD2 3.68Å; Y1082-L1136 HydrophobicContact CE2-CG 3.87Å; Y1082-L1136 VanDerWaalsContact CZ-CD2 3.46Å; Y1082-I1139 HydrophobicContact CD1-CD1 3.81Å; Y1082-I1139 HydrophobicContact CD1-CG1 4.25Å; Y1082-I1139 HydrophobicContact CE1-CD1 4.34Å; Y1082-I1139 HydrophobicContact CG-CD1 4.05Å; Y1082-I1139 HydrophobicContact CG-CG1 4.13Å; Y1082-T1167 PolarHBondContact N-O 2.85Å; Y1082-D1168 HydrophobicContact CD1-CB 4.3Å; Y1082-D1168 HydrophobicContact CE1-CB 4.14Å
1083	R	86.7	Confident	82.5	Confident	104 Å²	104	60.5 Å²	60.5	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.3	176.6	-54.6	-178.5	-179.8	100.2	5.7	113.6	S1081 D1168 S1169 P1171	S1081-R1083 PolarHBondContact O-N 3.44Å; S1081-R1083 VanDerWaalsContact O-N 3.12Å; S1081-R1083 WeakPolarHBondContact OG-CB 3.39Å; S1081-R1083 PolarHBondContact OG-N 2.89Å; R1083-D1168 IonicContact CZ-OD1 3.6Å; R1083-D1168 IonicContact NH1-OD1 3.68Å; R1083-D1168 PolarHBondContact NH1-OD1 3.35Å; R1083-D1168 IonicContact NH2-OD1 2.71Å; R1083-D1168 PolarHBondContact NH2-OD1 2.85Å; R1083-D1168 IonicContact NH2-OD2 3.48Å; R1083-S1169 PolarHBondContact NH1-O 3Å; R1083-P1171 HydrophobicContact CB-CG 3.87Å
1084	E	84.2	Confident	83.6	Confident	15 Å²	15	57.1 Å²	57.1	7%	0.07	31%	0.308	C	S	.	.	S	Bend	trans	-71.8	145.7	168.9	-52.8	-49.1	166.2	0	0	110.1	V1080 S1081 E1088 I1130 P1171 R1172	V1080-E1084 HydrophobicContact CG1-CB 4.29Å; V1080-E1084 HydrophobicContact CG1-CG 3.58Å; S1081-E1084 WeakPolarHBondContact CB-OE1 3.02Å; S1081-E1084 WeakPolarHBondContact O-CG 3.43Å; S1081-E1084 PolarHBondContact O-N 3.23Å; E1084-E1088 HydrophobicContact CB-CB 4.41Å; E1084-E1088 HydrophobicContact CB-CG 4.4Å; E1084-I1130 HydrophobicContact CB-CD1 3.55Å; E1084-I1130 HydrophobicContact CG-CD1 4.25Å; E1084-P1171 WeakPolarHBondContact OE1-CA 3.4Å; E1084-P1171 WeakPolarHBondContact OE2-CB 3.18Å; E1084-R1172 PolarHBondContact OE1-N 2.84Å
1085	P	86.6	Confident	85.1	Confident	72 Å²	72	55.8 Å²	55.8	47%	0.468	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-75.7	159.4	-178.7	31.7	-35.9	0	0	0	112.9	G1087 E1088	P1085-G1087 PolarHBondContact O-N 2.79Å; P1085-E1088 HydrophobicContact CG-CB 4.43Å; P1085-E1088 WeakPolarHBondContact O-CB 2.89Å; P1085-E1088 PolarHBondContact O-N 2.92Å
1086	P	88.1	Confident	86.7	Confident	72 Å²	72	53.4 Å²	53.4	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.5	165.2	-16.3	28.3	0	0	0	110.4	E1133	P1086-E1133 HydrophobicContact CG-CB 4.17Å
1087	G	86.8	Confident	87.8	Confident	43 Å²	43	54 Å²	54	44%	0.443	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-8.4	-177.6	0	0	0	0	0	115.6	P1085 I1130	P1085-G1087 PolarHBondContact O-N 2.79Å; G1087-I1130 PolarHBondContact N-O 2.78Å
1088	E	87.9	Confident	88.5	Confident	88 Å²	88	51.4 Å²	51.4	41%	0.411	27%	0.267	S	S	.	.			trans	-67.6	139.4	175.7	-175.5	60.5	-162.8	0	0	111.7	E1084 P1085 V1090 I1129 I1130	E1084-E1088 HydrophobicContact CB-CB 4.41Å; E1084-E1088 HydrophobicContact CB-CG 4.4Å; P1085-E1088 HydrophobicContact CG-CB 4.43Å; P1085-E1088 WeakPolarHBondContact O-CB 2.89Å; P1085-E1088 PolarHBondContact O-N 2.92Å; E1088-V1090 PolarHBondContact O-N 2.68Å; E1088-I1129 WeakPolarHBondContact O-CA 3.37Å; E1088-I1130 HydrophobicContact CB-CD1 4.01Å; E1088-I1130 HydrophobicContact CB-CG1 4.45Å; E1088-I1130 PolarHBondContact O-N 2.95Å
1089	I	89.1	Confident	88.9	Confident	86 Å²	86	50.6 Å²	50.6	44%	0.441	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.2	179.6	-61.1	169.3	0	0	0	109.3	A1091 E1127 I1129	I1089-A1091 WeakPolarHBondContact CG2-O 3.17Å; I1089-E1127 HydrophobicContact CD1-CG 4.37Å; I1089-E1127 HydrophobicContact CG2-CB 4.43Å; I1089-E1127 HydrophobicContact CG2-CG 4.41Å; I1089-I1129 HydrophobicContact CG1-CG1 4.01Å
1090	V	88.8	Confident	89.1	Confident	17 Å²	17	52 Å²	52	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-46.6	175.6	177.3	0	0	0	0	110.9	I1078 V1080 E1088 F1119 L1128 I1130 V1164	I1078-V1090 HydrophobicContact CB-CG1 4.48Å; I1078-V1090 HydrophobicContact CG2-CG1 3.83Å; V1080-V1090 HydrophobicContact CG2-CB 4.49Å; V1080-V1090 HydrophobicContact CG2-CG1 3.73Å; V1080-V1090 HydrophobicContact CG2-CG2 4.2Å; E1088-V1090 PolarHBondContact O-N 2.68Å; V1090-F1119 HydrophobicContact CG2-CD1 3.84Å; V1090-F1119 HydrophobicContact CG2-CE1 3.81Å; V1090-L1128 HydrophobicContact CB-CD2 4.03Å; V1090-L1128 HydrophobicContact CB-CG 4.3Å; V1090-L1128 WeakPolarHBondContact CB-O 3.31Å; V1090-L1128 HydrophobicContact CG1-CD2 3.88Å; V1090-L1128 PolarHBondContact N-O 2.94Å; V1090-I1130 HydrophobicContact CG2-CD1 4.29Å; V1090-I1130 HydrophobicContact CG2-CG1 3.54Å; V1090-V1164 HydrophobicContact CG1-CG1 3.83Å; V1090-V1164 HydrophobicContact CG1-CG2 3.94Å
1091	A	87.9	Confident	89.2	Confident	8 Å²	8	54.1 Å²	54.1	7%	0.066	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.7	-175.4	0	0	0	0	0	110.6	I1078 I1089 I1093 E1127 L1128 L1162	I1078-A1091 HydrophobicContact CD1-CB 3.51Å; I1089-A1091 WeakPolarHBondContact CG2-O 3.17Å; A1091-I1093 HydrophobicContact CB-CD1 4.44Å; A1091-E1127 WeakPolarHBondContact O-CA 3.49Å; A1091-L1128 HydrophobicContact CB-CB 4.04Å; A1091-L1128 HydrophobicContact CB-CD2 4.38Å; A1091-L1128 PolarHBondContact N-O 3.17Å; A1091-L1128 PolarHBondContact O-N 2.97Å; A1091-L1162 HydrophobicContact CB-CD2 4Å
1092	R	90.2	Very high	89.2	Confident	133 Å²	133	60.7 Å²	60.7	50%	0.502	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	151.9	177.6	174.7	-86.5	174.5	-5	107.4	F1070 S1125 A1126 E1127	F1070-R1092 VanDerWaalsContact CD1-O 3.25Å; F1070-R1092 WeakPolarHBondContact CD1-O 3.37Å; R1092-S1125 PolarHBondContact NE-O 3.35Å; R1092-A1126 CarbonylContact C-O 3.23Å; R1092-A1126 WeakPolarHBondContact CA-O 3.08Å; R1092-A1126 HydrophobicContact CG-CB 4.36Å; R1092-E1127 IonicContact CZ-OE1 3.9Å; R1092-E1127 IonicContact NE-OE1 3.57Å; R1092-E1127 IonicContact NH2-OE1 3.82Å; R1092-E1127 PolarHBondContact NH2-OE1 3.5Å
1093	I	90.9	Very high	89.3	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	32%	0.316	C	S	.	.			trans	-78.7	139.5	171.9	-47.8	-55	0	0	0	107	F1070 A1091 F1108 L1121 A1126 I1146 I1148 L1162	F1070-I1093 WeakPolarHBondContact O-CG2 3.36Å; A1091-I1093 HydrophobicContact CB-CD1 4.44Å; I1093-F1108 HydrophobicContact CB-CD1 4.16Å; I1093-F1108 HydrophobicContact CB-CE1 4.22Å; I1093-F1108 HydrophobicContact CG2-CD1 3.96Å; I1093-F1108 HydrophobicContact CG2-CE1 3.88Å; I1093-L1121 HydrophobicContact CG1-CD1 3.91Å; I1093-A1126 HydrophobicContact CB-CB 4.22Å; I1093-A1126 PolarHBondContact N-O 2.82Å; I1093-A1126 WeakPolarHBondContact O-CB 3.46Å; I1093-I1146 HydrophobicContact CD1-CD1 3.54Å; I1093-I1146 HydrophobicContact CG1-CD1 3.95Å; I1093-I1148 HydrophobicContact CG2-CD1 3.96Å; I1093-L1162 HydrophobicContact CD1-CD2 3.76Å
1094	E	90.4	Very high	89.5	Confident	84 Å²	84	57.1 Å²	57.1	39%	0.393	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.4	176.8	-62.1	-171.5	174.7	0	0	109.2	V1069 F1070	V1069-E1094 CarbonylContact C-O 3.46Å; V1069-E1094 WeakPolarHBondContact CA-O 3.17Å; V1069-E1094 HydrophobicContact CB-CB 3.85Å; V1069-E1094 HydrophobicContact CG1-CB 4.13Å; V1069-E1094 PolarHBondContact N-O 3Å; F1070-E1094 HydrophobicContact CB-CB 4Å; F1070-E1094 HydrophobicContact CB-CG 4.3Å; F1070-E1094 PolarHBondContact N-O 3.49Å; F1070-E1094 PolarHBondContact O-N 2.76Å
1095	A	91.4	Very high	89.8	Confident	19 Å²	19	60.3 Å²	60.3	16%	0.157	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164.2	173.6	0	0	0	0	0	109.7	I1067 L1106 F1108 I1148	I1067-A1095 CarbonylContact O-C 3.54Å; I1067-A1095 WeakPolarHBondContact O-CA 3.35Å; I1067-A1095 WeakPolarHBondContact O-CB 3.48Å; A1095-L1106 HydrophobicContact CB-CD1 3.65Å; A1095-F1108 HydrophobicContact CB-CE1 4.1Å; A1095-F1108 HydrophobicContact CB-CZ 4.19Å; A1095-I1148 HydrophobicContact CB-CD1 3.98Å; A1095-I1148 HydrophobicContact CB-CG2 3.87Å
1096	R	91.7	Very high	90.2	Very high	135 Å²	135	58 Å²	58	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	140.4	-179.2	-60.6	179.6	-174.4	-168.7	0.8	109.3	I1067 V1069 Y1183	I1067-R1096 WeakPolarHBondContact CA-O 3.13Å; I1067-R1096 WeakPolarHBondContact CB-O 3.44Å; I1067-R1096 PolarHBondContact N-O 2.81Å; I1067-R1096 PolarHBondContact O-N 3.49Å; V1069-R1096 HydrophobicContact CG2-CG 3.98Å; R1096-Y1183 PolarHBondContact NH2-OH 3.17Å; R1096-Y1183 VanDerWaalsContact NH2-OH 3.11Å
1097	D	93	Very high	90.4	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.118	30%	0.303	C	S	.	.			trans	-101.9	144	163.7	-120.3	-61.9	0	0	0	110.5	P1066 L1106	P1066-D1097 VanDerWaalsContact CA-OD2 3.27Å; P1066-D1097 WeakPolarHBondContact CA-OD2 3.31Å; P1066-D1097 WeakPolarHBondContact CD-OD2 3.37Å; P1066-D1097 WeakPolarHBondContact CG-OD2 3.47Å; D1097-L1106 HydrophobicContact CB-CD2 4.26Å; D1097-L1106 WeakPolarHBondContact OD2-CD2 3.26Å
1098	P	91.4	Very high	90.8	Very high	44 Å²	44	56.3 Å²	56.3	29%	0.286	29%	0.285	S	S	.	.	S	Bend	trans	-68.4	-34.4	168.9	-24.9	38.7	0	0	0	114.3	R1028 E1029 H1064 I1067	R1028-P1098 PolarHBondContact NH2-O 3.26Å; E1029-P1098 HydrophobicContact CB-CB 4.42Å; E1029-P1098 HydrophobicContact CG-CB 3.47Å; E1029-P1098 VanDerWaalsContact CG-CB 3.47Å; H1064-P1098 HydrophobicContact CB-CB 4.33Å; H1064-P1098 HydrophobicContact CB-CG 3.87Å; I1067-P1098 HydrophobicContact CD1-CG 3.84Å
1099	D	93.1	Very high	91	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	29%	0.285	C	S	.	.	S	Bend	trans	-67.3	-173.8	-167.5	-61	11.8	0	0	0	113.2	N1062 D1063 H1064 N1103 S1104	N1062-D1099 VanDerWaalsContact CA-OD2 3.29Å; N1062-D1099 WeakPolarHBondContact CA-OD2 3.38Å; D1063-D1099 PolarHBondContact N-OD2 2.88Å; H1064-D1099 VanDerWaalsContact CB-OD1 3.31Å; H1064-D1099 WeakPolarHBondContact CB-OD1 3.38Å; H1064-D1099 IonicContact CG-OD1 2.79Å; H1064-D1099 PolarHBondContact N-OD2 3.48Å; H1064-D1099 IonicContact ND1-OD1 2.69Å; H1064-D1099 PolarHBondContact ND1-OD1 2.78Å; D1099-N1103 HydrophobicContact CB-CB 3.74Å; D1099-S1104 WeakPolarHBondContact O-CB 3.43Å; D1099-S1104 PolarHBondContact O-OG 3.21Å
1100	E	89.2	Confident	91.1	Very high	92 Å²	92	53.8 Å²	53.8	43%	0.43	28%	0.275	S	S	.	.			trans	-116.9	139.4	-170	-149	170.5	136.1	0	0	116	R1028 D1060 H1102 N1103	R1028-E1100 IonicContact CZ-OE2 3.85Å; R1028-E1100 IonicContact NH1-OE2 2.87Å; R1028-E1100 PolarHBondContact NH1-OE2 3.47Å; D1060-E1100 HydrophobicContact CB-CB 3.78Å; D1060-E1100 VanDerWaalsContact CG-CB 3.45Å; D1060-E1100 VanDerWaalsContact OD1-CB 3.24Å; D1060-E1100 WeakPolarHBondContact OD1-CB 3.24Å; D1060-E1100 PolarHBondContact OD1-N 2.79Å; D1060-E1100 PolarHBondContact OD2-N 3.47Å; E1100-H1102 PolarHBondContact O-N 2.95Å; E1100-N1103 WeakPolarHBondContact O-CB 3.01Å; E1100-N1103 PolarHBondContact O-N 3.48Å
1101	G	88	Confident	91.2	Very high	51 Å²	51	60.6 Å²	60.6	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	-107.5	167.8	0	0	0	0	0	112.8	S1104	G1101-S1104 PolarHBondContact N-OG 2.81Å; G1101-S1104 PolarHBondContact O-OG 3.27Å
1102	H	88.1	Confident	91.3	Very high	139 Å²	139	62.1 Å²	62.1	64%	0.644	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-30.5	176.5	-72.8	26.2	0	0	0	112.1	E1100 S1104 L1105 A1151	E1100-H1102 PolarHBondContact O-N 2.95Å; H1102-S1104 PolarHBondContact O-N 3Å; H1102-L1105 WeakPolarHBondContact O-CB 3.27Å; H1102-L1105 PolarHBondContact O-N 3.4Å; H1102-L1105 VanDerWaalsContact O-N 3.09Å; H1102-A1151 CarbonylContact O-C 3.56Å; H1102-A1151 WeakPolarHBondContact O-CA 3.38Å; H1102-A1151 WeakPolarHBondContact O-CB 3.02Å; H1102-A1151 PolarHBondContact O-N 3.38Å
1103	N	90.9	Very high	91.2	Very high	30 Å²	30	56 Å²	56	16%	0.16	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.9	178.3	-67.2	-5.6	0	0	0	110.8	D1060 N1062 D1099 E1100 D1150 G1152	D1060-N1103 WeakPolarHBondContact OD2-CB 3.41Å; D1060-N1103 PolarHBondContact OD2-ND2 3.07Å; N1062-N1103 HydrophobicContact CB-CB 4.16Å; N1062-N1103 PolarHBondContact N-ND2 3.24Å; N1062-N1103 WeakPolarHBondContact OD1-CA 3.43Å; N1062-N1103 WeakPolarHBondContact OD1-CB 2.86Å; N1062-N1103 VanDerWaalsContact OD1-CG 3.28Å; N1062-N1103 PolarHBondContact OD1-O 2.64Å; D1099-N1103 HydrophobicContact CB-CB 3.74Å; E1100-N1103 WeakPolarHBondContact O-CB 3.01Å; E1100-N1103 PolarHBondContact O-N 3.48Å; N1103-D1150 VanDerWaalsContact O-CB 3.28Å; N1103-D1150 WeakPolarHBondContact O-CB 3.23Å; N1103-G1152 VanDerWaalsContact OD1-CA 3.31Å; N1103-G1152 WeakPolarHBondContact OD1-CA 3.32Å
1104	S	91.3	Very high	91.2	Very high	40 Å²	40	57.3 Å²	57.3	28%	0.28	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.3	171.1	56.3	0	0	0	0	117.2	D1099 G1101 H1102 L1106	D1099-S1104 WeakPolarHBondContact O-CB 3.43Å; D1099-S1104 PolarHBondContact O-OG 3.21Å; G1101-S1104 PolarHBondContact N-OG 2.81Å; G1101-S1104 PolarHBondContact O-OG 3.27Å; H1102-S1104 PolarHBondContact O-N 3Å; S1104-L1106 PolarHBondContact O-N 3.17Å
1105	L	91.9	Very high	91	Very high	82 Å²	82	60.3 Å²	60.3	43%	0.429	31%	0.309	S	S	.	.			trans	-85.9	94.5	-171.7	179.9	59.3	0	0	0	112.3	H1102 H1107 D1150 A1151	H1102-L1105 WeakPolarHBondContact O-CB 3.27Å; H1102-L1105 PolarHBondContact O-N 3.4Å; H1102-L1105 VanDerWaalsContact O-N 3.09Å; L1105-H1107 PolarHBondContact O-ND1 3.21Å; L1105-D1150 CarbonylContact O-C 3.51Å; L1105-A1151 HydrophobicContact CB-CB 3.88Å; L1105-A1151 HydrophobicContact CD2-CB 4.15Å; L1105-A1151 HydrophobicContact CG-CB 4.22Å; L1105-A1151 PolarHBondContact O-N 3.4Å; L1105-A1151 VanDerWaalsContact O-N 3.16Å
1106	L	93.8	Very high	90.7	Very high	22 Å²	22	61.6 Å²	61.6	12%	0.115	32%	0.32	C	S	.	.			trans	-76.9	133.7	-173.7	-58.1	-173.6	0	0	0	115.3	P1066 A1095 D1097 S1104 F1108 I1148 Q1149	P1066-L1106 HydrophobicContact CB-CD2 3.72Å; P1066-L1106 HydrophobicContact CG-CD2 3.75Å; A1095-L1106 HydrophobicContact CB-CD1 3.65Å; D1097-L1106 HydrophobicContact CB-CD2 4.26Å; D1097-L1106 WeakPolarHBondContact OD2-CD2 3.26Å; S1104-L1106 PolarHBondContact O-N 3.17Å; L1106-F1108 HydrophobicContact CB-CE2 3.78Å; L1106-F1108 HydrophobicContact CB-CZ 4.09Å; L1106-F1108 HydrophobicContact CD1-CZ 4.24Å; L1106-I1148 HydrophobicContact CB-CG2 4.46Å; L1106-I1148 HydrophobicContact CD1-CG2 4.13Å; L1106-I1148 HydrophobicContact CD2-CG2 4.34Å; L1106-Q1149 CarbonylContact C-O 3.55Å; L1106-Q1149 WeakPolarHBondContact CA-O 3Å
1107	H	93.1	Very high	90.6	Very high	66 Å²	66	58.6 Å²	58.6	31%	0.306	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133	172.1	-64.2	105.5	0	0	0	111.1	L1105 S1123 I1148 Q1149 D1150	L1105-H1107 PolarHBondContact O-ND1 3.21Å; H1107-S1123 WeakPolarHBondContact CA-O 3.44Å; H1107-I1148 WeakPolarHBondContact O-CA 3.32Å; H1107-Q1149 PolarHBondContact N-O 2.69Å; H1107-Q1149 PolarHBondContact O-N 3.14Å; H1107-D1150 PolarHBondContact ND1-O 3.32Å
1108	F	94.1	Very high	90.5	Very high	15 Å²	15	57.6 Å²	57.6	7%	0.066	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.6	-172.7	-63.8	-98.2	0	0	0	111.9	I1093 A1095 L1106 L1121 S1123 A1126 I1148	I1093-F1108 HydrophobicContact CB-CD1 4.16Å; I1093-F1108 HydrophobicContact CB-CE1 4.22Å; I1093-F1108 HydrophobicContact CG2-CD1 3.96Å; I1093-F1108 HydrophobicContact CG2-CE1 3.88Å; A1095-F1108 HydrophobicContact CB-CE1 4.1Å; A1095-F1108 HydrophobicContact CB-CZ 4.19Å; L1106-F1108 HydrophobicContact CB-CE2 3.78Å; L1106-F1108 HydrophobicContact CB-CZ 4.09Å; L1106-F1108 HydrophobicContact CD1-CZ 4.24Å; F1108-L1121 HydrophobicContact CB-CD2 3.99Å; F1108-L1121 HydrophobicContact CB-CG 4.24Å; F1108-S1123 PolarHBondContact N-O 2.96Å; F1108-S1123 VanDerWaalsContact O-CA 3.31Å; F1108-S1123 WeakPolarHBondContact O-CA 3.47Å; F1108-A1126 HydrophobicContact CD1-CB 4.02Å; F1108-A1126 HydrophobicContact CD2-CB 3.94Å; F1108-A1126 HydrophobicContact CE1-CB 4Å; F1108-A1126 HydrophobicContact CE2-CB 3.92Å; F1108-A1126 HydrophobicContact CG-CB 4Å; F1108-A1126 HydrophobicContact CZ-CB 3.96Å; F1108-I1148 HydrophobicContact CD1-CD1 4.17Å; F1108-I1148 HydrophobicContact CD1-CG1 3.82Å; F1108-I1148 HydrophobicContact CD1-CG2 4.22Å; F1108-I1148 HydrophobicContact CE1-CD1 3.96Å; F1108-I1148 HydrophobicContact CE1-CG1 4Å; F1108-I1148 HydrophobicContact CE1-CG2 3.87Å; F1108-I1148 HydrophobicContact CZ-CG2 4.23Å
1109	N	92.4	Very high	90.6	Very high	76 Å²	76	55.7 Å²	55.7	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.3	-177.3	-71.9	-48.4	0	0	0	112	Y1111 I1146 H1147	N1109-Y1111 PolarHBondContact O-N 3.28Å; N1109-I1146 CarbonylContact O-C 3.59Å; N1109-I1146 WeakPolarHBondContact O-CA 3.48Å; N1109-H1147 PolarHBondContact N-O 3.41Å; N1109-H1147 PolarHBondContact O-N 2.78Å
1110	L	91.8	Very high	90.6	Very high	44 Å²	44	60.9 Å²	60.9	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	105.9	176.9	-171.7	64.2	0	0	0	109.7	N1114 L1121 L1128 L1144 I1146	L1110-N1114 HydrophobicContact CD2-CB 3.98Å; L1110-N1114 WeakPolarHBondContact CD2-ND2 3.14Å; L1110-N1114 HydrophobicContact CG-CB 4.45Å; L1110-L1121 HydrophobicContact CB-CB 3.96Å; L1110-L1121 HydrophobicContact CB-CD2 4.31Å; L1110-L1128 HydrophobicContact CD1-CD1 4.43Å; L1110-L1128 HydrophobicContact CD2-CD1 4.32Å; L1110-L1144 HydrophobicContact CD1-CB 4.05Å; L1110-L1144 HydrophobicContact CD1-CD1 4.45Å; L1110-L1144 HydrophobicContact CD1-CD2 4.23Å; L1110-L1144 HydrophobicContact CD1-CG 4.48Å; L1110-I1146 HydrophobicContact CD1-CG1 3.92Å
1111	Y	89.8	Confident	90.8	Very high	161 Å²	161	57.7 Å²	57.7	63%	0.631	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	-43.7	-165.3	-170	-100.6	0	0	0	114.1	N1109 I1145 H1147	N1109-Y1111 PolarHBondContact O-N 3.28Å; Y1111-I1145 PolarHBondContact N-O 3.43Å; Y1111-H1147 AromaticContact CD1-CE1 3.73Å; Y1111-H1147 AromaticContact CD2-CE1 3.3Å; Y1111-H1147 WeakPolarHBondContact CD2-CE1 3.42Å; Y1111-H1147 AromaticContact CD2-ND1 3.29Å; Y1111-H1147 VanDerWaalsContact CD2-ND1 3.29Å; Y1111-H1147 WeakPolarHBondContact CD2-ND1 3.34Å; Y1111-H1147 AromaticContact CE1-CE1 3.95Å; Y1111-H1147 AromaticContact CE2-CE1 3.55Å; Y1111-H1147 AromaticContact CE2-ND1 3.79Å; Y1111-H1147 AromaticContact CG-CE1 3.4Å; Y1111-H1147 AromaticContact CG-ND1 3.66Å; Y1111-H1147 AromaticContact CG-NE2 3.9Å; Y1111-H1147 AromaticContact CZ-CE1 3.87Å
1112	S	91.3	Very high	91	Very high	40 Å²	40	56.1 Å²	56.1	28%	0.28	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	175.3	179	69.8	0	0	0	0	112.9	L1144 I1145	S1112-L1144 CarbonylContact O-C 3.59Å; S1112-L1144 WeakPolarHBondContact O-CA 3.3Å; S1112-I1145 PolarHBondContact N-O 2.75Å; S1112-I1145 PolarHBondContact O-N 2.81Å; S1112-I1145 WeakPolarHBondContact OG-CB 3.41Å
1113	G	88.3	Confident	91	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.031	28%	0.279	C	S	.	.	S	Bend	trans	85.8	8	-179.4	0	0	0	0	0	114.4	E1115 L1144	G1113-E1115 VanDerWaalsContact CA-OE1 3.25Å; G1113-E1115 WeakPolarHBondContact CA-OE1 3.49Å; G1113-E1115 VanDerWaalsContact CA-OE2 3.31Å; G1113-E1115 WeakPolarHBondContact CA-OE2 3.2Å; G1113-E1115 PolarHBondContact N-OE1 3.49Å; G1113-L1144 VanDerWaalsContact O-CD2 3.3Å; G1113-L1144 WeakPolarHBondContact O-CD2 3.38Å
1114	N	91.2	Very high	90.9	Very high	31 Å²	31	56.1 Å²	56.1	17%	0.166	30%	0.303	C	S	.	.			trans	-124.1	33.4	-176.5	-171.4	43.1	0	0	0	111.5	L1110 A1116 S1117 V1118 F1119 L1144	L1110-N1114 HydrophobicContact CD2-CB 3.98Å; L1110-N1114 WeakPolarHBondContact CD2-ND2 3.14Å; L1110-N1114 HydrophobicContact CG-CB 4.45Å; N1114-A1116 PolarHBondContact O-N 3.04Å; N1114-S1117 PolarHBondContact O-N 3.15Å; N1114-V1118 PolarHBondContact OD1-N 2.79Å; N1114-F1119 PolarHBondContact ND2-O 2.9Å; N1114-F1119 PolarHBondContact OD1-N 3.01Å; N1114-L1144 HydrophobicContact CB-CD2 3.86Å
1115	E	86.4	Confident	90.8	Very high	148 Å²	148	56.1 Å²	56.1	69%	0.692	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.2	-169.9	-63.4	69.5	-150.7	0	0	113.4	G1113	G1113-E1115 VanDerWaalsContact CA-OE1 3.25Å; G1113-E1115 WeakPolarHBondContact CA-OE1 3.49Å; G1113-E1115 VanDerWaalsContact CA-OE2 3.31Å; G1113-E1115 WeakPolarHBondContact CA-OE2 3.2Å; G1113-E1115 PolarHBondContact N-OE1 3.49Å
1116	A	83.5	Confident	90.8	Very high	45 Å²	45	52.5 Å²	52.5	37%	0.372	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	11.4	176.5	0	0	0	0	0	114	N1114 V1118 R1132	N1114-A1116 PolarHBondContact O-N 3.04Å; A1116-V1118 HydrophobicContact CB-CG2 3.82Å; A1116-V1118 PolarHBondContact O-N 3.47Å; A1116-R1132 PolarHBondContact O-NE 2.98Å; A1116-R1132 PolarHBondContact O-NH2 3.35Å
1117	S	89.4	Confident	90.8	Very high	73 Å²	73	53.5 Å²	53.5	51%	0.51	29%	0.289	S	S	.	.			trans	46	61.2	-178.1	-59.3	0	0	0	0	112.2	N1114 R1132	N1114-S1117 PolarHBondContact O-N 3.15Å; S1117-R1132 WeakPolarHBondContact O-CD 3.15Å; S1117-R1132 PolarHBondContact O-NE 3.45Å; S1117-R1132 VanDerWaalsContact O-NE 3.11Å
1118	V	91.1	Very high	90.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.			trans	-99.9	-35.9	-173.8	176.3	0	0	0	0	111.1	N1114 A1116 D1131 L1134 Y1142 I1166	N1114-V1118 PolarHBondContact OD1-N 2.79Å; A1116-V1118 HydrophobicContact CB-CG2 3.82Å; A1116-V1118 PolarHBondContact O-N 3.47Å; V1118-D1131 PolarHBondContact O-N 3.41Å; V1118-L1134 HydrophobicContact CG1-CD2 3.61Å; V1118-Y1142 HydrophobicContact CB-CE1 4.24Å; V1118-Y1142 HydrophobicContact CG2-CE1 3.73Å; V1118-I1166 HydrophobicContact CG1-CD1 3.7Å
1119	F	93.9	Very high	90.6	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.8	179.7	-45.9	-76.9	0	0	0	111.4	V1090 N1114 L1128 I1129 Y1142 L1144 V1164 I1166	V1090-F1119 HydrophobicContact CG2-CD1 3.84Å; V1090-F1119 HydrophobicContact CG2-CE1 3.81Å; N1114-F1119 PolarHBondContact ND2-O 2.9Å; N1114-F1119 PolarHBondContact OD1-N 3.01Å; F1119-L1128 HydrophobicContact CB-CD1 3.68Å; F1119-L1128 HydrophobicContact CB-CG 4.11Å; F1119-L1128 HydrophobicContact CG-CD1 4.37Å; F1119-L1128 HydrophobicContact CG-CD2 4.49Å; F1119-L1128 HydrophobicContact CG-CG 4.43Å; F1119-I1129 CarbonylContact C-O 3.56Å; F1119-I1129 VanDerWaalsContact CA-O 3.23Å; F1119-I1129 WeakPolarHBondContact CA-O 3.35Å; F1119-Y1142 HydrophobicContact CE2-CD1 4.03Å; F1119-Y1142 HydrophobicContact CE2-CD2 4.12Å; F1119-Y1142 AromaticContact CE2-CG 3.71Å; F1119-Y1142 HydrophobicContact CE2-CG 3.71Å; F1119-Y1142 HydrophobicContact CZ-CD2 4.36Å; F1119-Y1142 HydrophobicContact CZ-CG 4.38Å; F1119-L1144 HydrophobicContact CD2-CD1 3.91Å; F1119-L1144 HydrophobicContact CD2-CD2 3.86Å; F1119-L1144 HydrophobicContact CD2-CG 4.45Å; F1119-L1144 HydrophobicContact CE2-CD1 4.3Å; F1119-L1144 HydrophobicContact CE2-CD2 4.3Å; F1119-L1144 HydrophobicContact CG-CD1 4.38Å; F1119-V1164 HydrophobicContact CE1-CG1 3.94Å; F1119-V1164 HydrophobicContact CE2-CB 4.31Å; F1119-V1164 HydrophobicContact CE2-CG1 4.34Å; F1119-V1164 HydrophobicContact CZ-CB 3.98Å; F1119-V1164 HydrophobicContact CZ-CG1 3.53Å; F1119-I1166 HydrophobicContact CE1-CD1 4.5Å; F1119-I1166 HydrophobicContact CZ-CD1 3.92Å; F1119-I1166 HydrophobicContact CZ-CG1 4.29Å
1120	R	93.5	Very high	90.6	Very high	116 Å²	116	46.7 Å²	46.7	44%	0.438	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.5	160.9	59.1	170.6	167.6	92.5	4.5	109.9	L1128 I1129 D1131	R1120-L1128 CarbonylContact O-C 3.58Å; R1120-L1128 WeakPolarHBondContact O-CA 3.21Å; R1120-I1129 HydrophobicContact CG-CB 4.21Å; R1120-I1129 PolarHBondContact N-O 3.28Å; R1120-I1129 PolarHBondContact O-N 3.1Å; R1120-D1131 HydrophobicContact CB-CB 4.43Å; R1120-D1131 WeakPolarHBondContact CD-OD1 3.06Å; R1120-D1131 HydrophobicContact CG-CB 4.23Å; R1120-D1131 WeakPolarHBondContact CG-OD1 3.32Å; R1120-D1131 IonicContact NE-OD1 2.77Å; R1120-D1131 PolarHBondContact NE-OD1 2.93Å
1121	L	93.8	Very high	90.6	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.2	175.4	-176.5	59.4	0	0	0	109	I1093 F1108 L1110 S1123 E1127 L1128 I1146	I1093-L1121 HydrophobicContact CG1-CD1 3.91Å; F1108-L1121 HydrophobicContact CB-CD2 3.99Å; F1108-L1121 HydrophobicContact CB-CG 4.24Å; L1110-L1121 HydrophobicContact CB-CB 3.96Å; L1110-L1121 HydrophobicContact CB-CD2 4.31Å; L1121-S1123 PolarHBondContact O-N 2.66Å; L1121-E1127 WeakPolarHBondContact CA-O 3.14Å; L1121-L1128 HydrophobicContact CB-CD1 4.36Å; L1121-L1128 HydrophobicContact CD1-CB 4.27Å; L1121-I1146 HydrophobicContact CD2-CB 4.48Å; L1121-I1146 HydrophobicContact CD2-CG1 4.13Å; L1121-I1146 HydrophobicContact CD2-CG2 3.61Å
1122	G	90.6	Very high	90.7	Very high	17 Å²	17	44.4 Å²	44.4	18%	0.175	25%	0.249	C	C	.	.			trans	-73.7	117.5	173.1	0	0	0	0	0	110.8	T1124 S1125 A1126 E1127	G1122-T1124 PolarHBondContact O-N 3.49Å; G1122-T1124 VanDerWaalsContact O-N 3.12Å; G1122-S1125 PolarHBondContact O-N 2.78Å; G1122-A1126 WeakPolarHBondContact O-CA 3.46Å; G1122-A1126 PolarHBondContact O-N 2.87Å; G1122-E1127 PolarHBondContact N-O 2.93Å
1123	S	89.8	Confident	90.5	Very high	59 Å²	59	49.7 Å²	49.7	41%	0.413	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20	-171.2	57.1	0	0	0	0	115.4	H1107 F1108 L1121	H1107-S1123 WeakPolarHBondContact CA-O 3.44Å; F1108-S1123 PolarHBondContact N-O 2.96Å; F1108-S1123 VanDerWaalsContact O-CA 3.31Å; F1108-S1123 WeakPolarHBondContact O-CA 3.47Å; L1121-S1123 PolarHBondContact O-N 2.66Å
1124	T	88.8	Confident	90.6	Very high	110 Å²	110	50.1 Å²	50.1	68%	0.675	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	-17.6	174.4	55.3	0	0	0	0	113.9	G1122	G1122-T1124 PolarHBondContact O-N 3.49Å; G1122-T1124 VanDerWaalsContact O-N 3.12Å
1125	S	88.6	Confident	90.4	Very high	40 Å²	40	51.4 Å²	51.4	28%	0.28	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-13.1	174.8	78.8	0	0	0	0	113.6	R1092 G1122 E1127	R1092-S1125 PolarHBondContact NE-O 3.35Å; G1122-S1125 PolarHBondContact O-N 2.78Å; S1125-E1127 WeakPolarHBondContact CB-OE2 3.44Å; S1125-E1127 PolarHBondContact O-N 2.66Å; S1125-E1127 PolarHBondContact OG-N 2.58Å; S1125-E1127 PolarHBondContact OG-OE2 3.12Å
1126	A	91.1	Very high	90.3	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	28%	0.276	C	S	.	.			trans	55.9	15.1	-175.7	0	0	0	0	0	114.4	R1092 I1093 F1108 G1122	R1092-A1126 CarbonylContact C-O 3.23Å; R1092-A1126 WeakPolarHBondContact CA-O 3.08Å; R1092-A1126 HydrophobicContact CG-CB 4.36Å; I1093-A1126 HydrophobicContact CB-CB 4.22Å; I1093-A1126 PolarHBondContact N-O 2.82Å; I1093-A1126 WeakPolarHBondContact O-CB 3.46Å; F1108-A1126 HydrophobicContact CD1-CB 4.02Å; F1108-A1126 HydrophobicContact CD2-CB 3.94Å; F1108-A1126 HydrophobicContact CE1-CB 4Å; F1108-A1126 HydrophobicContact CE2-CB 3.92Å; F1108-A1126 HydrophobicContact CG-CB 4Å; F1108-A1126 HydrophobicContact CZ-CB 3.96Å; G1122-A1126 WeakPolarHBondContact O-CA 3.46Å; G1122-A1126 PolarHBondContact O-N 2.87Å
1127	E	93.4	Very high	90.5	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.4	-179.2	-71	147.2	175	0	0	110.9	I1089 A1091 R1092 L1121 G1122 S1125 I1129	I1089-E1127 HydrophobicContact CD1-CG 4.37Å; I1089-E1127 HydrophobicContact CG2-CB 4.43Å; I1089-E1127 HydrophobicContact CG2-CG 4.41Å; A1091-E1127 WeakPolarHBondContact O-CA 3.49Å; R1092-E1127 IonicContact CZ-OE1 3.9Å; R1092-E1127 IonicContact NE-OE1 3.57Å; R1092-E1127 IonicContact NH2-OE1 3.82Å; R1092-E1127 PolarHBondContact NH2-OE1 3.5Å; L1121-E1127 WeakPolarHBondContact CA-O 3.14Å; G1122-E1127 PolarHBondContact N-O 2.93Å; S1125-E1127 WeakPolarHBondContact CB-OE2 3.44Å; S1125-E1127 PolarHBondContact O-N 2.66Å; S1125-E1127 PolarHBondContact OG-N 2.58Å; S1125-E1127 PolarHBondContact OG-OE2 3.12Å; E1127-I1129 HydrophobicContact CB-CD1 3.95Å; E1127-I1129 HydrophobicContact CB-CG1 4.08Å
1128	L	92.8	Very high	90.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118	167.9	-173.6	76.5	0	0	0	108.5	V1090 A1091 L1110 F1119 R1120 L1121 L1144 L1162 V1164	V1090-L1128 HydrophobicContact CB-CD2 4.03Å; V1090-L1128 HydrophobicContact CB-CG 4.3Å; V1090-L1128 WeakPolarHBondContact CB-O 3.31Å; V1090-L1128 HydrophobicContact CG1-CD2 3.88Å; V1090-L1128 PolarHBondContact N-O 2.94Å; A1091-L1128 HydrophobicContact CB-CB 4.04Å; A1091-L1128 HydrophobicContact CB-CD2 4.38Å; A1091-L1128 PolarHBondContact N-O 3.17Å; A1091-L1128 PolarHBondContact O-N 2.97Å; L1110-L1128 HydrophobicContact CD1-CD1 4.43Å; L1110-L1128 HydrophobicContact CD2-CD1 4.32Å; F1119-L1128 HydrophobicContact CB-CD1 3.68Å; F1119-L1128 HydrophobicContact CB-CG 4.11Å; F1119-L1128 HydrophobicContact CG-CD1 4.37Å; F1119-L1128 HydrophobicContact CG-CD2 4.49Å; F1119-L1128 HydrophobicContact CG-CG 4.43Å; R1120-L1128 CarbonylContact O-C 3.58Å; R1120-L1128 WeakPolarHBondContact O-CA 3.21Å; L1121-L1128 HydrophobicContact CB-CD1 4.36Å; L1121-L1128 HydrophobicContact CD1-CB 4.27Å; L1128-L1144 HydrophobicContact CD1-CD1 3.93Å; L1128-L1144 HydrophobicContact CD2-CD1 3.4Å; L1128-L1144 HydrophobicContact CG-CD1 4.3Å; L1128-L1162 HydrophobicContact CD2-CD2 3.8Å; L1128-V1164 HydrophobicContact CD2-CG2 3.9Å
1129	I	91.6	Very high	90.4	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.2	-169.8	-66.5	160.3	0	0	0	109.7	E1088 I1089 F1119 R1120 E1127 D1131	E1088-I1129 WeakPolarHBondContact O-CA 3.37Å; I1089-I1129 HydrophobicContact CG1-CG1 4.01Å; F1119-I1129 CarbonylContact C-O 3.56Å; F1119-I1129 VanDerWaalsContact CA-O 3.23Å; F1119-I1129 WeakPolarHBondContact CA-O 3.35Å; R1120-I1129 HydrophobicContact CG-CB 4.21Å; R1120-I1129 PolarHBondContact N-O 3.28Å; R1120-I1129 PolarHBondContact O-N 3.1Å; E1127-I1129 HydrophobicContact CB-CD1 3.95Å; E1127-I1129 HydrophobicContact CB-CG1 4.08Å; I1129-D1131 PolarHBondContact O-N 2.98Å
1130	I	92.6	Very high	90.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	120.2	171.7	-54.2	-179.7	0	0	0	108.9	V1080 E1084 G1087 E1088 V1090 R1132 L1134	V1080-I1130 HydrophobicContact CG1-CD1 3.78Å; E1084-I1130 HydrophobicContact CB-CD1 3.55Å; E1084-I1130 HydrophobicContact CG-CD1 4.25Å; G1087-I1130 PolarHBondContact N-O 2.78Å; E1088-I1130 HydrophobicContact CB-CD1 4.01Å; E1088-I1130 HydrophobicContact CB-CG1 4.45Å; E1088-I1130 PolarHBondContact O-N 2.95Å; V1090-I1130 HydrophobicContact CG2-CD1 4.29Å; V1090-I1130 HydrophobicContact CG2-CG1 3.54Å; I1130-R1132 VanDerWaalsContact CG2-O 3.28Å; I1130-R1132 WeakPolarHBondContact CG2-O 3.25Å; I1130-L1134 HydrophobicContact CD1-CD1 4.05Å; I1130-L1134 HydrophobicContact CG2-CD1 4.17Å; I1130-L1134 HydrophobicContact CG2-CD2 4.05Å; I1130-L1134 HydrophobicContact CG2-CG 3.93Å
1131	D	91.6	Very high	90	Very high	79 Å²	79	57.6 Å²	57.6	42%	0.422	31%	0.314	S	S	.	.			trans	-88.7	-29.7	-169.7	-160.5	49.6	0	0	0	113.6	V1118 R1120 I1129	V1118-D1131 PolarHBondContact O-N 3.41Å; R1120-D1131 HydrophobicContact CB-CB 4.43Å; R1120-D1131 WeakPolarHBondContact CD-OD1 3.06Å; R1120-D1131 HydrophobicContact CG-CB 4.23Å; R1120-D1131 WeakPolarHBondContact CG-OD1 3.32Å; R1120-D1131 IonicContact NE-OD1 2.77Å; R1120-D1131 PolarHBondContact NE-OD1 2.93Å; I1129-D1131 PolarHBondContact O-N 2.98Å
1132	R	90.7	Very high	89.9	Confident	78 Å²	78	57.6 Å²	57.6	29%	0.294	31%	0.312	S	S	.	.	S	Bend	trans	-140.6	169.8	-178	63.9	169.7	175.9	82.2	-6.6	112.3	A1116 S1117 I1130 L1134 D1138	A1116-R1132 PolarHBondContact O-NE 2.98Å; A1116-R1132 PolarHBondContact O-NH2 3.35Å; S1117-R1132 WeakPolarHBondContact O-CD 3.15Å; S1117-R1132 PolarHBondContact O-NE 3.45Å; S1117-R1132 VanDerWaalsContact O-NE 3.11Å; I1130-R1132 VanDerWaalsContact CG2-O 3.28Å; I1130-R1132 WeakPolarHBondContact CG2-O 3.25Å; R1132-L1134 PolarHBondContact O-N 3.44Å; R1132-D1138 IonicContact CZ-OD1 2.71Å; R1132-D1138 IonicContact CZ-OD2 2.52Å; R1132-D1138 VanDerWaalsContact NH1-CG 3.32Å; R1132-D1138 IonicContact NH1-OD1 3.99Å; R1132-D1138 PolarHBondContact NH1-OD1 3.35Å; R1132-D1138 IonicContact NH1-OD2 2.73Å; R1132-D1138 PolarHBondContact NH1-OD2 3.47Å; R1132-D1138 IonicContact NH2-OD1 3.14Å; R1132-D1138 PolarHBondContact NH2-OD1 3.12Å; R1132-D1138 IonicContact NH2-OD2 3.48Å
1133	E	88.2	Confident	89.8	Confident	152 Å²	152	59.1 Å²	59.1	71%	0.71	32%	0.319	S	S	*	.			trans	-63.3	133.2	175.9	-166.6	172.5	-175.2	0	0	110.4	P1086	P1086-E1133 HydrophobicContact CG-CB 4.17Å
1134	L	89.1	Confident	89.9	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	30%	0.299	C	S	.	.			trans	-89.6	131.4	-177.1	-63.7	-177.7	0	0	0	110.2	S1081 Y1082 V1118 I1130 R1132 D1138 I1166	S1081-L1134 WeakPolarHBondContact O-CD1 2.91Å; Y1082-L1134 VanDerWaalsContact O-CB 3.31Å; Y1082-L1134 WeakPolarHBondContact O-CB 3.47Å; V1118-L1134 HydrophobicContact CG1-CD2 3.61Å; I1130-L1134 HydrophobicContact CD1-CD1 4.05Å; I1130-L1134 HydrophobicContact CG2-CD1 4.17Å; I1130-L1134 HydrophobicContact CG2-CD2 4.05Å; I1130-L1134 HydrophobicContact CG2-CG 3.93Å; R1132-L1134 PolarHBondContact O-N 3.44Å; L1134-D1138 HydrophobicContact CD2-CB 4.29Å; L1134-I1166 HydrophobicContact CD1-CD1 4.02Å; L1134-I1166 HydrophobicContact CD1-CG2 4.38Å; L1134-I1166 HydrophobicContact CD2-CD1 3.92Å
1135	T	88.4	Confident	90.1	Very high	59 Å²	59	52.4 Å²	52.4	36%	0.362	27%	0.274	S	S	.	.			trans	-104.4	169.8	179.4	71.9	0	0	0	0	111.1	Q1137 D1138	T1135-Q1137 PolarHBondContact O-N 2.79Å; T1135-Q1137 VanDerWaalsContact O-N 3.08Å; T1135-Q1137 WeakPolarHBondContact OG1-CB 3.26Å; T1135-Q1137 PolarHBondContact OG1-N 2.8Å; T1135-Q1137 VanDerWaalsContact OG1-N 3.11Å; T1135-D1138 WeakPolarHBondContact CB-OD2 3Å; T1135-D1138 PolarHBondContact N-OD2 2.96Å; T1135-D1138 PolarHBondContact O-N 3.42Å; T1135-D1138 PolarHBondContact OG1-N 3.17Å; T1135-D1138 PolarHBondContact OG1-OD2 3.16Å
1136	L	84	Confident	90.2	Very high	114 Å²	114	50.5 Å²	50.5	60%	0.597	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.4	168.3	-72.7	168.6	0	0	0	113.3	Y1082 I1139	Y1082-L1136 HydrophobicContact CD1-CD2 4.45Å; Y1082-L1136 HydrophobicContact CD2-CD2 4.26Å; Y1082-L1136 HydrophobicContact CD2-CG 4.46Å; Y1082-L1136 HydrophobicContact CE1-CD2 3.86Å; Y1082-L1136 HydrophobicContact CE2-CD2 3.68Å; Y1082-L1136 HydrophobicContact CE2-CG 3.87Å; Y1082-L1136 VanDerWaalsContact CZ-CD2 3.46Å; L1136-I1139 HydrophobicContact CD2-CD1 3.84Å
1137	Q	86.7	Confident	90.3	Very high	181 Å²	181	52 Å²	52	85%	0.846	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-17.2	177.6	-55.9	171.7	4.7	0	0	112.1	T1135 I1139	T1135-Q1137 PolarHBondContact O-N 2.79Å; T1135-Q1137 VanDerWaalsContact O-N 3.08Å; T1135-Q1137 WeakPolarHBondContact OG1-CB 3.26Å; T1135-Q1137 PolarHBondContact OG1-N 2.8Å; T1135-Q1137 VanDerWaalsContact OG1-N 3.11Å; Q1137-I1139 VanDerWaalsContact C-N 3.32Å
1138	D	89.6	Confident	90.3	Very high	10 Å²	10	50 Å²	50	5%	0.053	26%	0.257	C	S	.	.	S	Bend	trans	-88.3	3.4	177.8	-59.7	-66.6	0	0	0	112.8	R1132 L1134 T1135 G1140 Y1142 I1166	R1132-D1138 IonicContact CZ-OD1 2.71Å; R1132-D1138 IonicContact CZ-OD2 2.52Å; R1132-D1138 VanDerWaalsContact NH1-CG 3.32Å; R1132-D1138 IonicContact NH1-OD1 3.99Å; R1132-D1138 PolarHBondContact NH1-OD1 3.35Å; R1132-D1138 IonicContact NH1-OD2 2.73Å; R1132-D1138 PolarHBondContact NH1-OD2 3.47Å; R1132-D1138 IonicContact NH2-OD1 3.14Å; R1132-D1138 PolarHBondContact NH2-OD1 3.12Å; R1132-D1138 IonicContact NH2-OD2 3.48Å; L1134-D1138 HydrophobicContact CD2-CB 4.29Å; T1135-D1138 WeakPolarHBondContact CB-OD2 3Å; T1135-D1138 PolarHBondContact N-OD2 2.96Å; T1135-D1138 PolarHBondContact O-N 3.42Å; T1135-D1138 PolarHBondContact OG1-N 3.17Å; T1135-D1138 PolarHBondContact OG1-OD2 3.16Å; D1138-G1140 PolarHBondContact O-N 3.22Å; D1138-G1140 VanDerWaalsContact O-N 3.17Å; D1138-Y1142 WeakPolarHBondContact O-CE2 3.47Å; D1138-Y1142 PolarHBondContact O-OH 3.37Å; D1138-Y1142 VanDerWaalsContact O-OH 3.14Å; D1138-I1166 VanDerWaalsContact O-CB 3.3Å; D1138-I1166 WeakPolarHBondContact O-CB 3.35Å; D1138-I1166 WeakPolarHBondContact O-CD1 3.3Å; D1138-I1166 WeakPolarHBondContact O-CG2 3.14Å
1139	I	88.9	Confident	90.3	Very high	69 Å²	69	53.4 Å²	53.4	35%	0.354	27%	0.273	S	S	.	.			trans	-71.9	108.4	175.7	-66.9	173.5	0	0	0	109.1	Y1082 L1136 Q1137 I1166 D1168	Y1082-I1139 HydrophobicContact CD1-CD1 3.81Å; Y1082-I1139 HydrophobicContact CD1-CG1 4.25Å; Y1082-I1139 HydrophobicContact CE1-CD1 4.34Å; Y1082-I1139 HydrophobicContact CG-CD1 4.05Å; Y1082-I1139 HydrophobicContact CG-CG1 4.13Å; L1136-I1139 HydrophobicContact CD2-CD1 3.84Å; Q1137-I1139 VanDerWaalsContact C-N 3.32Å; I1139-I1166 HydrophobicContact CG1-CG2 4.35Å; I1139-D1168 HydrophobicContact CD1-CB 4.12Å
1140	G	88.9	Confident	90.4	Very high	28 Å²	28	52.9 Å²	52.9	29%	0.289	27%	0.27	S	S	.	.	S	Bend	trans	-171.5	-168.7	-172.1	0	0	0	0	0	114.8	D1138 K1165 I1166	D1138-G1140 PolarHBondContact O-N 3.22Å; D1138-G1140 VanDerWaalsContact O-N 3.17Å; G1140-K1165 CarbonylContact O-C 3.51Å; G1140-K1165 WeakPolarHBondContact O-CA 3.46Å; G1140-I1166 PolarHBondContact N-O 3.25Å; G1140-I1166 PolarHBondContact O-N 2.82Å
1141	L	89.9	Confident	90.3	Very high	114 Å²	114	54.3 Å²	54.3	60%	0.597	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.1	173.7	-96.3	162.9	0	0	0	108.6	P1143 L1163 K1165	L1141-P1143 WeakPolarHBondContact O-CD 2.93Å; L1141-L1163 HydrophobicContact CD2-CD2 4.42Å; L1141-K1165 HydrophobicContact CD2-CB 3.82Å; L1141-K1165 HydrophobicContact CD2-CG 4.08Å; L1141-K1165 HydrophobicContact CG-CB 4.35Å; L1141-K1165 HydrophobicContact CG-CG 4.08Å
1142	Y	91.5	Very high	90.1	Very high	25 Å²	25	50.8 Å²	50.8	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	105.2	-177.7	-66.2	-94.8	0	0	0	108.6	V1118 F1119 D1138 L1144 V1164 I1166	V1118-Y1142 HydrophobicContact CB-CE1 4.24Å; V1118-Y1142 HydrophobicContact CG2-CE1 3.73Å; F1119-Y1142 HydrophobicContact CE2-CD1 4.03Å; F1119-Y1142 HydrophobicContact CE2-CD2 4.12Å; F1119-Y1142 AromaticContact CE2-CG 3.71Å; F1119-Y1142 HydrophobicContact CE2-CG 3.71Å; F1119-Y1142 HydrophobicContact CZ-CD2 4.36Å; F1119-Y1142 HydrophobicContact CZ-CG 4.38Å; D1138-Y1142 WeakPolarHBondContact O-CE2 3.47Å; D1138-Y1142 PolarHBondContact O-OH 3.37Å; D1138-Y1142 VanDerWaalsContact O-OH 3.14Å; Y1142-L1144 VanDerWaalsContact C-N 3.26Å; Y1142-L1144 PolarHBondContact O-N 3.34Å; Y1142-L1144 VanDerWaalsContact O-N 3.09Å; Y1142-V1164 PolarHBondContact N-O 2.79Å; Y1142-V1164 PolarHBondContact O-N 2.92Å; Y1142-I1166 HydrophobicContact CD2-CD1 4.16Å; Y1142-I1166 HydrophobicContact CD2-CG1 4.18Å; Y1142-I1166 HydrophobicContact CE2-CB 4.39Å; Y1142-I1166 HydrophobicContact CE2-CD1 3.64Å; Y1142-I1166 HydrophobicContact CE2-CG1 3.94Å
1143	P	90	Very high	89.7	Confident	50 Å²	50	54.6 Å²	54.6	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	65.8	-177.6	36.5	-35	0	0	0	110.2	L1141 I1145 L1163	L1141-P1143 WeakPolarHBondContact O-CD 2.93Å; P1143-I1145 PolarHBondContact O-N 3.12Å; P1143-L1163 HydrophobicContact CB-CD2 3.9Å
1144	L	91.9	Very high	89.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	130.1	-175.7	-55.3	177.5	0	0	0	111	L1110 S1112 G1113 N1114 F1119 L1128 Y1142 K1161 L1162 V1164	L1110-L1144 HydrophobicContact CD1-CB 4.05Å; L1110-L1144 HydrophobicContact CD1-CD1 4.45Å; L1110-L1144 HydrophobicContact CD1-CD2 4.23Å; L1110-L1144 HydrophobicContact CD1-CG 4.48Å; S1112-L1144 CarbonylContact O-C 3.59Å; S1112-L1144 WeakPolarHBondContact O-CA 3.3Å; G1113-L1144 VanDerWaalsContact O-CD2 3.3Å; G1113-L1144 WeakPolarHBondContact O-CD2 3.38Å; N1114-L1144 HydrophobicContact CB-CD2 3.86Å; F1119-L1144 HydrophobicContact CD2-CD1 3.91Å; F1119-L1144 HydrophobicContact CD2-CD2 3.86Å; F1119-L1144 HydrophobicContact CD2-CG 4.45Å; F1119-L1144 HydrophobicContact CE2-CD1 4.3Å; F1119-L1144 HydrophobicContact CE2-CD2 4.3Å; F1119-L1144 HydrophobicContact CG-CD1 4.38Å; L1128-L1144 HydrophobicContact CD1-CD1 3.93Å; L1128-L1144 HydrophobicContact CD2-CD1 3.4Å; L1128-L1144 HydrophobicContact CG-CD1 4.3Å; Y1142-L1144 VanDerWaalsContact C-N 3.26Å; Y1142-L1144 PolarHBondContact O-N 3.34Å; Y1142-L1144 VanDerWaalsContact O-N 3.09Å; L1144-K1161 CarbonylContact O-C 3.6Å; L1144-K1161 WeakPolarHBondContact O-CA 3.41Å; L1144-L1162 HydrophobicContact CB-CB 4.4Å; L1144-L1162 WeakPolarHBondContact CB-O 3.34Å; L1144-L1162 PolarHBondContact N-O 3.4Å; L1144-L1162 PolarHBondContact O-N 3.32Å; L1144-V1164 HydrophobicContact CD1-CB 4.47Å; L1144-V1164 HydrophobicContact CD1-CG2 3.63Å; L1144-V1164 HydrophobicContact CG-CG2 4.42Å
1145	I	91.8	Very high	89.6	Confident	28 Å²	28	54.2 Å²	54.2	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.7	170.1	-60.1	-171	0	0	0	108	Y1111 S1112 P1143 E1159 K1161	Y1111-I1145 PolarHBondContact N-O 3.43Å; S1112-I1145 PolarHBondContact N-O 2.75Å; S1112-I1145 PolarHBondContact O-N 2.81Å; S1112-I1145 WeakPolarHBondContact OG-CB 3.41Å; P1143-I1145 PolarHBondContact O-N 3.12Å; I1145-E1159 HydrophobicContact CG2-CG 3.44Å; I1145-E1159 VanDerWaalsContact CG2-CG 3.44Å; I1145-K1161 HydrophobicContact CG1-CG 4.43Å
1146	I	91.6	Very high	89.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.9	-173.7	-60.9	156.4	0	0	0	107.5	I1093 N1109 L1110 L1121 I1148 E1159 V1160 L1162	I1093-I1146 HydrophobicContact CD1-CD1 3.54Å; I1093-I1146 HydrophobicContact CG1-CD1 3.95Å; N1109-I1146 CarbonylContact O-C 3.59Å; N1109-I1146 WeakPolarHBondContact O-CA 3.48Å; L1110-I1146 HydrophobicContact CD1-CG1 3.92Å; L1121-I1146 HydrophobicContact CD2-CB 4.48Å; L1121-I1146 HydrophobicContact CD2-CG1 4.13Å; L1121-I1146 HydrophobicContact CD2-CG2 3.61Å; I1146-I1148 HydrophobicContact CG2-CG1 4.04Å; I1146-E1159 WeakPolarHBondContact O-CA 3.09Å; I1146-V1160 HydrophobicContact CB-CG1 3.91Å; I1146-V1160 HydrophobicContact CD1-CG1 4.47Å; I1146-V1160 HydrophobicContact CG2-CG1 4.32Å; I1146-V1160 PolarHBondContact N-O 3.22Å; I1146-V1160 PolarHBondContact O-N 2.93Å; I1146-L1162 HydrophobicContact CD1-CB 4.02Å; I1146-L1162 HydrophobicContact CD1-CD2 4.33Å
1147	H	93.3	Very high	90.2	Very high	38 Å²	38	52.4 Å²	52.4	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.8	170	-69.6	170.7	0	0	0	109.1	N1109 Y1111 T1157 E1159	N1109-H1147 PolarHBondContact N-O 3.41Å; N1109-H1147 PolarHBondContact O-N 2.78Å; Y1111-H1147 AromaticContact CD1-CE1 3.73Å; Y1111-H1147 AromaticContact CD2-CE1 3.3Å; Y1111-H1147 WeakPolarHBondContact CD2-CE1 3.42Å; Y1111-H1147 AromaticContact CD2-ND1 3.29Å; Y1111-H1147 VanDerWaalsContact CD2-ND1 3.29Å; Y1111-H1147 WeakPolarHBondContact CD2-ND1 3.34Å; Y1111-H1147 AromaticContact CE1-CE1 3.95Å; Y1111-H1147 AromaticContact CE2-CE1 3.55Å; Y1111-H1147 AromaticContact CE2-ND1 3.79Å; Y1111-H1147 AromaticContact CG-CE1 3.4Å; Y1111-H1147 AromaticContact CG-ND1 3.66Å; Y1111-H1147 AromaticContact CG-NE2 3.9Å; Y1111-H1147 AromaticContact CZ-CE1 3.87Å; H1147-T1157 HydrophobicContact CB-CG2 4.12Å; H1147-E1159 IonicContact CD2-OE2 3.99Å; H1147-E1159 IonicContact CE1-OE2 2.69Å; H1147-E1159 IonicContact NE2-OE2 3.78Å; H1147-E1159 PolarHBondContact NE2-OE2 3.04Å
1148	I	93.5	Very high	90.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.4	-179.4	-55.5	174.4	0	0	0	105.2	P1066 V1068 I1093 A1095 L1106 H1107 F1108 I1146 T1157 T1158 V1160	P1066-I1148 HydrophobicContact CB-CB 4.41Å; P1066-I1148 HydrophobicContact CB-CG2 3.83Å; V1068-I1148 HydrophobicContact CG1-CD1 4.18Å; V1068-I1148 HydrophobicContact CG2-CD1 3.82Å; I1093-I1148 HydrophobicContact CG2-CD1 3.96Å; A1095-I1148 HydrophobicContact CB-CD1 3.98Å; A1095-I1148 HydrophobicContact CB-CG2 3.87Å; L1106-I1148 HydrophobicContact CB-CG2 4.46Å; L1106-I1148 HydrophobicContact CD1-CG2 4.13Å; L1106-I1148 HydrophobicContact CD2-CG2 4.34Å; H1107-I1148 WeakPolarHBondContact O-CA 3.32Å; F1108-I1148 HydrophobicContact CD1-CD1 4.17Å; F1108-I1148 HydrophobicContact CD1-CG1 3.82Å; F1108-I1148 HydrophobicContact CD1-CG2 4.22Å; F1108-I1148 HydrophobicContact CE1-CD1 3.96Å; F1108-I1148 HydrophobicContact CE1-CG1 4Å; F1108-I1148 HydrophobicContact CE1-CG2 3.87Å; F1108-I1148 HydrophobicContact CZ-CG2 4.23Å; I1146-I1148 HydrophobicContact CG2-CG1 4.04Å; I1148-T1157 CarbonylContact O-C 3.55Å; I1148-T1157 VanDerWaalsContact O-CA 3.3Å; I1148-T1157 WeakPolarHBondContact O-CA 3.48Å; I1148-T1158 PolarHBondContact N-O 2.61Å; I1148-T1158 PolarHBondContact O-N 3.08Å; I1148-V1160 HydrophobicContact CD1-CG1 3.82Å
1149	Q	92.8	Very high	90.5	Very high	71 Å²	71	50.3 Å²	50.3	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.1	-170.2	177.3	171.3	9.9	0	0	109.3	L1106 H1107 S1155 R1156 T1157	L1106-Q1149 CarbonylContact C-O 3.55Å; L1106-Q1149 WeakPolarHBondContact CA-O 3Å; H1107-Q1149 PolarHBondContact N-O 2.69Å; H1107-Q1149 PolarHBondContact O-N 3.14Å; Q1149-S1155 WeakPolarHBondContact CG-OG 3.47Å; Q1149-S1155 PolarHBondContact NE2-OG 3.4Å; Q1149-R1156 WeakPolarHBondContact CA-O 2.9Å; Q1149-T1157 HydrophobicContact CB-CG2 4.2Å; Q1149-T1157 WeakPolarHBondContact CG-OG1 3.18Å
1150	D	93.4	Very high	90.5	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	27%	0.268	C	S	.	.			trans	-73.3	-161.7	175	65.3	31.1	0	0	0	113.1	N1062 N1103 L1105 H1107 G1152 S1155 R1156	N1062-D1150 PolarHBondContact ND2-OD2 3.29Å; N1062-D1150 PolarHBondContact OD1-OD2 3.11Å; N1103-D1150 VanDerWaalsContact O-CB 3.28Å; N1103-D1150 WeakPolarHBondContact O-CB 3.23Å; L1105-D1150 CarbonylContact O-C 3.51Å; H1107-D1150 PolarHBondContact ND1-O 3.32Å; D1150-G1152 PolarHBondContact OD1-N 2.83Å; D1150-S1155 WeakPolarHBondContact OD1-CA 3.03Å; D1150-S1155 WeakPolarHBondContact OD1-CB 3.5Å; D1150-S1155 PolarHBondContact OD1-OG 3.41Å; D1150-R1156 VanDerWaalsContact CG-N 3.28Å; D1150-R1156 PolarHBondContact N-O 3.04Å; D1150-R1156 VanDerWaalsContact N-O 3.13Å; D1150-R1156 PolarHBondContact OD1-N 3.44Å; D1150-R1156 WeakPolarHBondContact OD2-CA 3.36Å; D1150-R1156 VanDerWaalsContact OD2-CB 3.26Å; D1150-R1156 WeakPolarHBondContact OD2-CB 3.44Å; D1150-R1156 PolarHBondContact OD2-N 2.98Å
1151	A	90.5	Very high	90.5	Very high	31 Å²	31	52.1 Å²	52.1	26%	0.256	28%	0.278	S	S	.	.	S	Bend	trans	-125.9	24.2	162.3	0	0	0	0	0	112.6	H1102 L1105	H1102-A1151 CarbonylContact O-C 3.56Å; H1102-A1151 WeakPolarHBondContact O-CA 3.38Å; H1102-A1151 WeakPolarHBondContact O-CB 3.02Å; H1102-A1151 PolarHBondContact O-N 3.38Å; L1105-A1151 HydrophobicContact CB-CB 3.88Å; L1105-A1151 HydrophobicContact CD2-CB 4.15Å; L1105-A1151 HydrophobicContact CG-CB 4.22Å; L1105-A1151 PolarHBondContact O-N 3.4Å; L1105-A1151 VanDerWaalsContact O-N 3.16Å
1152	G	86.5	Confident	90.5	Very high	5 Å²	5	46.7 Å²	46.7	5%	0.052	25%	0.25	C	C	.	.			trans	-78.6	175.3	-179.8	0	0	0	0	0	113.7	N1103 D1150 P1154 S1155	N1103-G1152 VanDerWaalsContact OD1-CA 3.31Å; N1103-G1152 WeakPolarHBondContact OD1-CA 3.32Å; D1150-G1152 PolarHBondContact OD1-N 2.83Å; G1152-P1154 CarbonylContact O-C 3.57Å; G1152-S1155 WeakPolarHBondContact O-CA 3.21Å; G1152-S1155 WeakPolarHBondContact O-CB 3.18Å; G1152-S1155 PolarHBondContact O-N 3.17Å
1153	I	82.9	Confident	90.4	Very high	159 Å²	159	48.1 Å²	48.1	82%	0.815	26%	0.259	S	S	*	.	S	Bend	trans	-137.4	108.1	-179.6	-56.2	178.6	0	0	0	109.5
1154	P	87.2	Confident	90.4	Very high	107 Å²	107	45.7 Å²	45.7	70%	0.695	24%	0.243	S	C	*	.	S	Bend	cis	-68.7	143	-4.4	31.4	-35.6	0	0	0	112	N1062 G1152	N1062-P1154 PolarHBondContact ND2-O 2.9Å; G1152-P1154 CarbonylContact O-C 3.57Å
1155	S	89.3	Confident	90.3	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	27%	0.265	S	S	.	.			trans	-75.7	141.5	-179.7	178.6	0	0	0	0	112.1	Q1149 D1150 G1152	Q1149-S1155 WeakPolarHBondContact CG-OG 3.47Å; Q1149-S1155 PolarHBondContact NE2-OG 3.4Å; D1150-S1155 WeakPolarHBondContact OD1-CA 3.03Å; D1150-S1155 WeakPolarHBondContact OD1-CB 3.5Å; D1150-S1155 PolarHBondContact OD1-OG 3.41Å; G1152-S1155 WeakPolarHBondContact O-CA 3.21Å; G1152-S1155 WeakPolarHBondContact O-CB 3.18Å; G1152-S1155 PolarHBondContact O-N 3.17Å
1156	R	91.2	Very high	90.2	Very high	72 Å²	72	49.5 Å²	49.5	27%	0.272	26%	0.259	S	S	.	.			trans	-118.2	158.2	-174.4	-57.4	-179.9	64.8	157.8	-17.2	110.6	D1063 H1064 D1065 Q1149 D1150	D1063-R1156 PolarHBondContact O-NH1 3.08Å; D1063-R1156 PolarHBondContact O-NH2 2.9Å; D1063-R1156 VanDerWaalsContact O-NH2 3.1Å; H1064-R1156 WeakPolarHBondContact O-CD 3.34Å; H1064-R1156 PolarHBondContact O-NE 3.06Å; D1065-R1156 IonicContact OD1-CZ 3.12Å; D1065-R1156 VanDerWaalsContact OD1-CZ 3.31Å; D1065-R1156 IonicContact OD1-NE 3.73Å; D1065-R1156 PolarHBondContact OD1-NE 3.22Å; D1065-R1156 IonicContact OD1-NH2 2.74Å; D1065-R1156 PolarHBondContact OD1-NH2 3.1Å; D1065-R1156 IonicContact OD2-CZ 2.73Å; D1065-R1156 IonicContact OD2-NH2 3.38Å; D1065-R1156 PolarHBondContact OD2-NH2 2.72Å; Q1149-R1156 WeakPolarHBondContact CA-O 2.9Å; D1150-R1156 VanDerWaalsContact CG-N 3.28Å; D1150-R1156 PolarHBondContact N-O 3.04Å; D1150-R1156 VanDerWaalsContact N-O 3.13Å; D1150-R1156 PolarHBondContact OD1-N 3.44Å; D1150-R1156 WeakPolarHBondContact OD2-CA 3.36Å; D1150-R1156 VanDerWaalsContact OD2-CB 3.26Å; D1150-R1156 WeakPolarHBondContact OD2-CB 3.44Å; D1150-R1156 PolarHBondContact OD2-N 2.98Å
1157	T	92.2	Very high	90.1	Very high	62 Å²	62	50.9 Å²	50.9	38%	0.38	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	132.4	-163.6	-56.8	0	0	0	0	113	H1147 I1148 Q1149	H1147-T1157 HydrophobicContact CB-CG2 4.12Å; I1148-T1157 CarbonylContact O-C 3.55Å; I1148-T1157 VanDerWaalsContact O-CA 3.3Å; I1148-T1157 WeakPolarHBondContact O-CA 3.48Å; Q1149-T1157 HydrophobicContact CB-CG2 4.2Å; Q1149-T1157 WeakPolarHBondContact CG-OG1 3.18Å
1158	T	92.4	Very high	89.7	Confident	35 Å²	35	53.9 Å²	53.9	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.4	174.6	-59.1	0	0	0	0	111.1	P1066 V1068 I1148	P1066-T1158 WeakPolarHBondContact O-CB 3.5Å; P1066-T1158 WeakPolarHBondContact O-CG2 3.28Å; P1066-T1158 PolarHBondContact O-OG1 3.4Å; V1068-T1158 HydrophobicContact CG2-CG2 3.67Å; I1148-T1158 PolarHBondContact N-O 2.61Å; I1148-T1158 PolarHBondContact O-N 3.08Å
1159	E	90.7	Very high	89	Confident	113 Å²	113	55.6 Å²	55.6	53%	0.528	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.3	174.8	-178.2	173.8	116.7	0	0	111.4	I1145 I1146 H1147	I1145-E1159 HydrophobicContact CG2-CG 3.44Å; I1145-E1159 VanDerWaalsContact CG2-CG 3.44Å; I1146-E1159 WeakPolarHBondContact O-CA 3.09Å; H1147-E1159 IonicContact CD2-OE2 3.99Å; H1147-E1159 IonicContact CE1-OE2 2.69Å; H1147-E1159 IonicContact NE2-OE2 3.78Å; H1147-E1159 PolarHBondContact NE2-OE2 3.04Å
1160	V	89.2	Confident	88	Confident	17 Å²	17	57 Å²	57	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.8	170.4	67.6	0	0	0	0	112.4	V1068 P1071 I1146 I1148	V1068-V1160 HydrophobicContact CG1-CB 4.15Å; V1068-V1160 HydrophobicContact CG1-CG1 4.19Å; V1068-V1160 HydrophobicContact CG1-CG2 4.05Å; V1068-V1160 HydrophobicContact CG2-CB 4.28Å; P1071-V1160 HydrophobicContact CG-CG2 3.76Å; P1071-V1160 WeakPolarHBondContact O-CG2 3.5Å; I1146-V1160 HydrophobicContact CB-CG1 3.91Å; I1146-V1160 HydrophobicContact CD1-CG1 4.47Å; I1146-V1160 HydrophobicContact CG2-CG1 4.32Å; I1146-V1160 PolarHBondContact N-O 3.22Å; I1146-V1160 PolarHBondContact O-N 2.93Å; I1148-V1160 HydrophobicContact CD1-CG1 3.82Å
1161	K	89	Confident	86.6	Confident	118 Å²	118	59.7 Å²	59.7	51%	0.513	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.4	179.6	-171	169.8	-170.9	162.3	0	112.1	L1144 I1145	L1144-K1161 CarbonylContact O-C 3.6Å; L1144-K1161 WeakPolarHBondContact O-CA 3.41Å; I1145-K1161 HydrophobicContact CG1-CG 4.43Å
1162	L	89.4	Confident	85	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.6	177	176.2	58.8	0	0	0	110.4	P1071 G1076 I1078 A1091 I1093 L1128 L1144 I1146 V1164	P1071-L1162 HydrophobicContact CB-CD1 4.28Å; P1071-L1162 HydrophobicContact CG-CB 4.09Å; P1071-L1162 HydrophobicContact CG-CD1 4.04Å; G1076-L1162 WeakPolarHBondContact O-CD1 3.31Å; I1078-L1162 HydrophobicContact CD1-CD1 4.23Å; A1091-L1162 HydrophobicContact CB-CD2 4Å; I1093-L1162 HydrophobicContact CD1-CD2 3.76Å; L1128-L1162 HydrophobicContact CD2-CD2 3.8Å; L1144-L1162 HydrophobicContact CB-CB 4.4Å; L1144-L1162 WeakPolarHBondContact CB-O 3.34Å; L1144-L1162 PolarHBondContact N-O 3.4Å; L1144-L1162 PolarHBondContact O-N 3.32Å; I1146-L1162 HydrophobicContact CD1-CB 4.02Å; I1146-L1162 HydrophobicContact CD1-CD2 4.33Å; L1162-V1164 HydrophobicContact CD2-CG2 4.22Å; L1162-V1164 HydrophobicContact CG-CG2 4.06Å
1163	L	89.2	Confident	83	Confident	54 Å²	54	73.4 Å²	73.4	28%	0.283	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	106.9	174.9	-73.5	156.7	0	0	0	110.4	N1077 I1078 L1141 P1143	N1077-L1163 CarbonylContact C-O 3.6Å; N1077-L1163 VanDerWaalsContact CA-O 3.27Å; N1077-L1163 WeakPolarHBondContact CA-O 3.43Å; N1077-L1163 HydrophobicContact CB-CB 4.26Å; I1078-L1163 PolarHBondContact N-O 3.15Å; L1141-L1163 HydrophobicContact CD2-CD2 4.42Å; P1143-L1163 HydrophobicContact CB-CD2 3.9Å
1164	V	89.8	Confident	80.7	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.9	170.7	-174.2	0	0	0	0	109.2	I1078 V1080 V1090 F1119 L1128 Y1142 L1144 L1162	I1078-V1164 CarbonylContact O-C 3.59Å; I1078-V1164 WeakPolarHBondContact O-CA 3.3Å; V1080-V1164 HydrophobicContact CG2-CG1 3.68Å; V1090-V1164 HydrophobicContact CG1-CG1 3.83Å; V1090-V1164 HydrophobicContact CG1-CG2 3.94Å; F1119-V1164 HydrophobicContact CE1-CG1 3.94Å; F1119-V1164 HydrophobicContact CE2-CB 4.31Å; F1119-V1164 HydrophobicContact CE2-CG1 4.34Å; F1119-V1164 HydrophobicContact CZ-CB 3.98Å; F1119-V1164 HydrophobicContact CZ-CG1 3.53Å; L1128-V1164 HydrophobicContact CD2-CG2 3.9Å; Y1142-V1164 PolarHBondContact N-O 2.79Å; Y1142-V1164 PolarHBondContact O-N 2.92Å; L1144-V1164 HydrophobicContact CD1-CB 4.47Å; L1144-V1164 HydrophobicContact CD1-CG2 3.63Å; L1144-V1164 HydrophobicContact CG-CG2 4.42Å; L1162-V1164 HydrophobicContact CD2-CG2 4.22Å; L1162-V1164 HydrophobicContact CG-CG2 4.06Å
1165	K	89.5	Confident	78.1	Confident	106 Å²	106	77.4 Å²	77.4	46%	0.461	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.5	177.6	-172	-176.7	-179.8	-174.6	0	110.2	I1078 S1079 V1080 G1140 L1141 T1167	I1078-K1165 PolarHBondContact O-N 3.01Å; S1079-K1165 CarbonylContact C-O 3.56Å; S1079-K1165 VanDerWaalsContact CA-O 3.27Å; S1079-K1165 WeakPolarHBondContact CA-O 3.35Å; V1080-K1165 PolarHBondContact N-O 2.74Å; G1140-K1165 CarbonylContact O-C 3.51Å; G1140-K1165 WeakPolarHBondContact O-CA 3.46Å; L1141-K1165 HydrophobicContact CD2-CB 3.82Å; L1141-K1165 HydrophobicContact CD2-CG 4.08Å; L1141-K1165 HydrophobicContact CG-CB 4.35Å; L1141-K1165 HydrophobicContact CG-CG 4.08Å; K1165-T1167 HydrophobicContact CD-CG2 3.96Å; K1165-T1167 HydrophobicContact CG-CG2 3.95Å
1166	I	90.5	Very high	75.2	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133	173.2	-59.9	-175.6	0	0	0	108.6	V1080 V1118 F1119 L1134 D1138 I1139 G1140 Y1142	V1080-I1166 CarbonylContact O-C 3.57Å; V1080-I1166 WeakPolarHBondContact O-CA 3.42Å; V1118-I1166 HydrophobicContact CG1-CD1 3.7Å; F1119-I1166 HydrophobicContact CE1-CD1 4.5Å; F1119-I1166 HydrophobicContact CZ-CD1 3.92Å; F1119-I1166 HydrophobicContact CZ-CG1 4.29Å; L1134-I1166 HydrophobicContact CD1-CD1 4.02Å; L1134-I1166 HydrophobicContact CD1-CG2 4.38Å; L1134-I1166 HydrophobicContact CD2-CD1 3.92Å; D1138-I1166 VanDerWaalsContact O-CB 3.3Å; D1138-I1166 WeakPolarHBondContact O-CB 3.35Å; D1138-I1166 WeakPolarHBondContact O-CD1 3.3Å; D1138-I1166 WeakPolarHBondContact O-CG2 3.14Å; I1139-I1166 HydrophobicContact CG1-CG2 4.35Å; G1140-I1166 PolarHBondContact N-O 3.25Å; G1140-I1166 PolarHBondContact O-N 2.82Å; Y1142-I1166 HydrophobicContact CD2-CD1 4.16Å; Y1142-I1166 HydrophobicContact CD2-CG1 4.18Å; Y1142-I1166 HydrophobicContact CE2-CB 4.39Å; Y1142-I1166 HydrophobicContact CE2-CD1 3.64Å; Y1142-I1166 HydrophobicContact CE2-CG1 3.94Å
1167	T	88.7	Confident	72.3	Confident	30 Å²	30	81.9 Å²	81.9	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.4	-173.6	49	0	0	0	0	113.8	V1080 S1081 Y1082 K1165 S1169	V1080-T1167 PolarHBondContact O-N 3.06Å; V1080-T1167 PolarHBondContact O-OG1 2.63Å; S1081-T1167 WeakPolarHBondContact CA-O 3.49Å; Y1082-T1167 PolarHBondContact N-O 2.85Å; K1165-T1167 HydrophobicContact CD-CG2 3.96Å; K1165-T1167 HydrophobicContact CG-CG2 3.95Å; T1167-S1169 PolarHBondContact O-N 3.35Å; T1167-S1169 PolarHBondContact OG1-OG 3.34Å
1168	D	86.4	Confident	69.3	Low	100 Å²	100	89 Å²	89	54%	0.535	43%	0.434	S	S	.	.	S	Bend	trans	-73.1	70.9	159.2	-168.8	-7.1	0	0	0	110.5	Y1082 R1083 I1139	Y1082-D1168 HydrophobicContact CD1-CB 4.3Å; Y1082-D1168 HydrophobicContact CE1-CB 4.14Å; R1083-D1168 IonicContact CZ-OD1 3.6Å; R1083-D1168 IonicContact NH1-OD1 3.68Å; R1083-D1168 PolarHBondContact NH1-OD1 3.35Å; R1083-D1168 IonicContact NH2-OD1 2.71Å; R1083-D1168 PolarHBondContact NH2-OD1 2.85Å; R1083-D1168 IonicContact NH2-OD2 3.48Å; I1139-D1168 HydrophobicContact CD1-CB 4.12Å
1169	S	77.9	Confident	66.3	Low	37 Å²	37	96.9 Å²	96.9	26%	0.259	47%	0.465	S	S	.	.	S	Bend	trans	-109.1	164.3	165.8	64	0	0	0	0	109.3	S1081 R1083 T1167	S1081-S1169 PolarHBondContact OG-O 2.89Å; R1083-S1169 PolarHBondContact NH1-O 3Å; T1167-S1169 PolarHBondContact O-N 3.35Å; T1167-S1169 PolarHBondContact OG1-OG 3.34Å
1170	P	72.6	Confident	63.3	Low	100 Å²	100	95.9 Å²	95.9	65%	0.649	47%	0.467	S	S	*	.			trans	-52.5	154.4	157.4	-22.6	34.5	0	0	0	110.8
1171	P	64.3	Low	60.4	Low	59 Å²	59	102.4 Å²	102.4	38%	0.383	50%	0.501	S	S	.	.			trans	-53.3	148.9	165.9	-21.2	31.2	0	0	0	110.9	R1083 E1084 H1173	R1083-P1171 HydrophobicContact CB-CG 3.87Å; E1084-P1171 WeakPolarHBondContact OE1-CA 3.4Å; E1084-P1171 WeakPolarHBondContact OE2-CB 3.18Å; P1171-H1173 PolarHBondContact O-N 2.96Å; P1171-H1173 VanDerWaalsContact O-N 3.08Å
1172	R	56.4	Low	57.5	Low	146 Å²	146	105 Å²	105	55%	0.551	52%	0.52	S	S	*	.			trans	-65.6	109.5	170.6	-73.1	-174.4	175.7	-143.8	3.2	108.9	S1079 E1084 I1174	S1079-R1172 PolarHBondContact O-NE 3.47Å; S1079-R1172 VanDerWaalsContact O-NE 3.07Å; S1079-R1172 PolarHBondContact O-NH2 3.3Å; E1084-R1172 PolarHBondContact OE1-N 2.84Å; R1172-I1174 PolarHBondContact O-N 3.16Å; R1172-I1174 VanDerWaalsContact O-N 3.12Å
1173	H	45.1	Very low	54.5	Low	178 Å²	178	113.3 Å²	113.3	82%	0.824	55%	0.552	S	S	*	*			trans	-57.1	122.6	169.8	-94.9	-78.9	0	0	0	109.9	P1171 Y1175	P1171-H1173 PolarHBondContact O-N 2.96Å; P1171-H1173 VanDerWaalsContact O-N 3.08Å; H1173-Y1175 PolarHBondContact O-N 3.05Å; H1173-Y1175 VanDerWaalsContact O-N 3.12Å
1174	I	34.3	Very low	51.5	Low	144 Å²	144	120.1 Å²	120.1	74%	0.738	58%	0.582	S	S	*	*			trans	-52.1	112.7	-166.9	-62.9	161.7	0	0	0	111.5	R1172	R1172-I1174 PolarHBondContact O-N 3.16Å; R1172-I1174 VanDerWaalsContact O-N 3.12Å
1175	Y	32.4	Very low	48.3	Very low	206 Å²	206	125.4 Å²	125.4	81%	0.808	62%	0.619	S	S	*	*			trans	-117.2	66.8	156.6	-87.1	-71.5	0	0	0	109.5	H1173	H1173-Y1175 PolarHBondContact O-N 3.05Å; H1173-Y1175 VanDerWaalsContact O-N 3.12Å
1176	S	28.8	Very low	45.3	Very low	77 Å²	77	126 Å²	126	54%	0.538	63%	0.632	S	S	.	*			trans	-54.6	160.4	146.1	52.8	0	0	0	0	109.5
1177	N	30.1	Very low	42.3	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	67%	0.672	S	S	*	*	S	Bend	trans	73.8	38.1	-174.1	-43.2	-36	0	0	0	115.9
1178	R	28.8	Very low	39.3	Very low	212 Å²	212	140.3 Å²	140.3	80%	0.8	70%	0.699	S	S	*	*	S	Bend	trans	-128.7	0.1	161.4	-94.1	-164.5	-177.6	-158.9	2.2	117.1
1179	F	29.8	Very low	36.4	Very low	200 Å²	200	142.7 Å²	142.7	88%	0.877	71%	0.711	S	S	*	*	S	Bend	trans	-120.1	35.6	168.9	-69.4	-76.7	0	0	0	112
1180	T	27.6	Very low	34	Very low	92 Å²	92	147.3 Å²	147.3	56%	0.564	73%	0.732	S	S	*	*	S	Bend	trans	-130.6	147.4	161	46.7	0	0	0	0	107.1
1181	N	27	Very low	31.8	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	74%	0.735	S	S	*	*	S	Bend	trans	70.3	56.2	-172.9	-48.1	-32.6	0	0	0	116.1
1182	L	28	Very low	30.1	Very low	173 Å²	173	154.7 Å²	154.7	91%	0.906	76%	0.757	S	S	*	*	S	Bend	trans	-135.1	24.6	150.3	-119.6	166.1	0	0	0	113.4
1183	Y	26.5	Very low	28.7	Very low	173 Å²	173	155.6 Å²	155.6	68%	0.678	77%	0.767	S	S	*	*	S	Bend	trans	-113.4	149.1	152.1	-92.8	-112.5	0	0	0	107.1	R1096	R1096-Y1183 PolarHBondContact NH2-OH 3.17Å; R1096-Y1183 VanDerWaalsContact NH2-OH 3.11Å
1184	H	26	Very low	28.3	Very low	197 Å²	197	151.4 Å²	151.4	91%	0.912	76%	0.756	S	S	*	*	S	Bend	trans	62.7	69.2	-173.1	-60.6	-64.1	0	0	0	117.3
1185	S	23.7	Very low	28	Very low	111 Å²	111	152.9 Å²	152.9	78%	0.776	76%	0.759	S	S	*	*			trans	-158.7	168.4	139.3	-161.3	0	0	0	0	110.6
1186	T	26.2	Very low	27.8	Very low	120 Å²	120	149.6 Å²	149.6	74%	0.736	76%	0.755	S	S	*	*			trans	52.2	105.9	-176.3	60.7	0	0	0	0	114.8
1187	K	26.9	Very low	27.7	Very low	192 Å²	192	153.9 Å²	153.9	84%	0.835	76%	0.764	S	S	*	*			cis	60.6	94	3.4	-147.7	173.3	-168.3	176.8	0	116.1
1188	N	27	Very low	27.8	Very low	139 Å²	139	153.9 Å²	153.9	74%	0.743	76%	0.764	S	S	*	*			trans	69.9	112.2	177	-55.2	2.6	0	0	0	115.1
1189	D	25.3	Very low	27.8	Very low	149 Å²	149	152.6 Å²	152.6	80%	0.797	77%	0.767	S	S	*	*			trans	156.2	144.6	146.9	-87.1	0.4	0	0	0	110
1190	L	26.2	Very low	27.9	Very low	135 Å²	135	148.4 Å²	148.4	71%	0.707	76%	0.76	S	S	*	*			cis	-159.1	136.7	-24.7	-160.7	76.5	0	0	0	110.7
1191	N	27.2	Very low	28.1	Very low	130 Å²	130	155 Å²	155	70%	0.695	78%	0.776	S	S	*	*			trans	18.8	122.4	156.7	-56.7	-23.2	0	0	0	121.8
1192	H	28.7	Very low	28.3	Very low	183 Å²	183	158.3 Å²	158.3	85%	0.847	78%	0.779	S	S	*	*			trans	-148.2	107.3	138.7	-95.5	63	0	0	0	107.3
1193	H	28.1	Very low	28.2	Very low	166 Å²	166	157.4 Å²	157.4	77%	0.769	77%	0.77	S	S	*	*				71.5	140.3	91.6	-95.3	-91	0	0	0	116
1194	P	35.3	Very low	28.2	Very low	90 Å²	90	156.8 Å²	156.8	58%	0.584	77%	0.773	S	S	*	*			cis	-145.7	165.6	-41.8	39.6	-22.2	0	0	0	116.5
1195	Q	27.8	Very low	28.2	Very low	174 Å²	174	154.5 Å²	154.5	81%	0.813	77%	0.766	S	S	*	*			trans	64.8	144.4	156.8	-67.5	170.4	43	0	0	118.2
1196	L	28.3	Very low	28.2	Very low	137 Å²	137	156.8 Å²	156.8	72%	0.717	77%	0.768	S	S	*	*			cis	-146.1	149	26.6	-88.8	97.9	0	0	0	114.3
1197	K	27.5	Very low	28.2	Very low	168 Å²	168	157 Å²	157	73%	0.73	77%	0.765	S	S	*	*			trans	66.5	136.1	141.8	-79.6	-175.2	172	-168.2	0	124.1
1198	D	32	Very low	28.1	Very low	136 Å²	136	153.1 Å²	153.1	73%	0.727	75%	0.753	S	S	*	*			trans	60.1	125	141.6	-51.8	-17.4	0	0	0	118.5
1199	Q	29.1	Very low	28.1	Very low	185 Å²	185	153.3 Å²	153.3	86%	0.864	75%	0.754	S	S	*	*			cis	-143.7	164.3	3.8	-93.3	-175.8	-4.6	0	0	111.5
1200	P	32.1	Very low	28.2	Very low	113 Å²	113	152.2 Å²	152.2	73%	0.734	75%	0.749	S	S	*	*			trans	-106.6	147.9	177.9	38.1	-30.4	0	0	0	114.6
1201	Y	30.8	Very low	28.6	Very low	230 Å²	230	151.8 Å²	151.8	90%	0.902	75%	0.747	S	S	*	*			trans	-157.6	129.8	144.9	-118.5	-76	0	0	0	112.1
1202	Y	31.5	Very low	28.7	Very low	224 Å²	224	151.8 Å²	151.8	88%	0.878	75%	0.747	S	S	*	*			trans	-155.4	87.5	-177.2	-160.8	-69.6	0	0	0	108.8
1203	H	25.7	Very low	28.7	Very low	154 Å²	154	149.2 Å²	149.2	71%	0.713	74%	0.735	S	S	*	*			trans	-158.2	135.1	175.5	-113.2	-88.3	0	0	0	114
1204	Q	27.7	Very low	28.8	Very low	160 Å²	160	148.7 Å²	148.7	75%	0.748	73%	0.731	S	S	*	*			trans	18.5	121.7	148.8	-65	166.4	-39.4	0	0	119.9
1205	L	25.2	Very low	28.4	Very low	148 Å²	148	150.8 Å²	150.8	78%	0.775	74%	0.736	S	S	*	*				-156	84.7	111.2	-114.9	171.8	0	0	0	112.4
1206	I	24.8	Very low	28.5	Very low	160 Å²	160	150.3 Å²	150.3	82%	0.821	74%	0.738	S	S	*	*			trans	-90	111.8	153.3	-66.1	175.6	0	0	0	106.5
1207	N	24.8	Very low	28.5	Very low	124 Å²	124	152.6 Å²	152.6	66%	0.663	74%	0.742	S	S	*	*			trans	-109.7	104.6	151.9	-99.5	-36	0	0	0	104.9
1208	N	25.3	Very low	28.7	Very low	111 Å²	111	151.8 Å²	151.8	59%	0.594	74%	0.744	S	S	*	*				76	117.8	86.8	-80.8	-41.9	0	0	0	112
1209	N	26.4	Very low	28.5	Very low	142 Å²	142	151.3 Å²	151.3	76%	0.759	74%	0.741	S	S	*	*			trans	70.9	131.6	175.4	-48.4	-26.2	0	0	0	113.9
1210	N	28.6	Very low	28.6	Very low	127 Å²	127	149.6 Å²	149.6	68%	0.679	73%	0.733	S	S	*	*			cis	-154.1	153.2	3	-105.5	-19.2	0	0	0	111.8
1211	N	33.1	Very low	28.5	Very low	125 Å²	125	150.4 Å²	150.4	67%	0.668	73%	0.73	S	S	*	*			trans	65	113.9	162.1	-57.2	-30.4	0	0	0	117.6
1212	N	29.5	Very low	28.4	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	72%	0.723	S	S	*	*				77.8	131.6	53.4	-61.5	-22.4	0	0	0	112.2
1213	E	29.9	Very low	28.4	Very low	129 Å²	129	141.7 Å²	141.7	60%	0.603	72%	0.715	S	S	*	*			cis	-170.1	165.9	1.4	-123.5	-172.9	146.2	0	0	112.8
1214	K	28.4	Very low	28.5	Very low	155 Å²	155	143.4 Å²	143.4	67%	0.674	72%	0.723	S	S	*	*			trans	68.8	152.5	142.9	-77	171.3	176.4	137.4	0	119.9
1215	L	26.8	Very low	28.5	Very low	133 Å²	133	139.1 Å²	139.1	70%	0.696	72%	0.722	S	S	*	*			cis	-159.9	138.8	-23.1	-169.4	71.9	0	0	0	108.8	K1217	L1215-K1217 HydrophobicContact CD2-CB 4.23Å
1216	I	30.3	Very low	28.7	Very low	165 Å²	165	140.7 Å²	140.7	85%	0.846	73%	0.725	S	S	*	*			trans	-90.5	118	161.1	-63.7	173.2	0	0	0	108.4
1217	K	29.4	Very low	29.1	Very low	185 Å²	185	139.9 Å²	139.9	80%	0.804	72%	0.722	S	S	*	*			trans	-157.4	163.9	160	-118.5	170.8	-174.1	-179.8	0	112.3	L1215	L1215-K1217 HydrophobicContact CD2-CB 4.23Å
1218	I	31	Very low	29.6	Very low	151 Å²	151	138.3 Å²	138.3	77%	0.774	72%	0.721	S	S	*	*			trans	-105.7	167.7	-163.2	-62.6	158.9	0	0	0	109.7
1219	N	28.3	Very low	30.1	Very low	126 Å²	126	139.1 Å²	139.1	67%	0.674	72%	0.724	S	S	*	*			trans	90.7	140	-173.6	-63.4	34.4	0	0	0	113.5
1220	E	30.5	Very low	30.8	Very low	148 Å²	148	135.8 Å²	135.8	69%	0.692	71%	0.709	S	S	*	*			cis	-161.4	151.9	-5	-117.1	166.4	139.4	0	0	111.5
1221	I	30.9	Very low	32	Very low	130 Å²	130	135.5 Å²	135.5	67%	0.667	71%	0.712	S	S	*	*			trans	69.2	132.2	145.7	-68.7	163.3	0	0	0	120.7
1222	N	29	Very low	33.3	Very low	140 Å²	140	131.2 Å²	131.2	75%	0.749	70%	0.697	S	S	*	*			trans	87.8	139.8	156.4	-78.3	-11.5	0	0	0	122.4
1223	N	31.5	Very low	34.7	Very low	132 Å²	132	127.2 Å²	127.2	71%	0.706	68%	0.679	S	S	*	*			trans	68.9	111.8	162.9	-58.3	-6.4	0	0	0	115.2
1224	Q	26.5	Very low	36.2	Very low	190 Å²	190	125.4 Å²	125.4	89%	0.888	67%	0.673	S	S	*	*				53.2	111	55.3	-56.2	-171	-26.3	0	0	111.9
1225	G	28	Very low	38	Very low	70 Å²	70	123 Å²	123	72%	0.722	67%	0.666	S	S	*	*			cis	-172.6	-128.3	-1.1	0	0	0	0	0	110.8
1226	E	28.7	Very low	40.1	Very low	180 Å²	180	122.4 Å²	122.4	84%	0.841	66%	0.663	S	S	*	*			trans	-7.5	126.9	158.4	-63	164	-179.9	0	0	114.8
1227	N	33.6	Very low	41.9	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	65%	0.647	S	S	*	*				-141.9	157.1	60	-83.2	-91.7	0	0	0	114.1	I1229	N1227-I1229 PolarHBondContact O-N 2.79Å
1228	S	35.1	Very low	44.2	Very low	91 Å²	91	113.6 Å²	113.6	64%	0.636	63%	0.634	S	S	*	*			trans	-54.2	136.1	160.7	48.1	0	0	0	0	110.3	T1230	S1228-T1230 PolarHBondContact O-N 3.47Å
1229	I	36.8	Very low	46.4	Very low	129 Å²	129	109.9 Å²	109.9	66%	0.662	62%	0.618	S	S	*	*			trans	-65	94.9	159.6	-60.9	178.8	0	0	0	105.2	N1227 S1233 I1234	N1227-I1229 PolarHBondContact O-N 2.79Å; I1229-S1233 WeakPolarHBondContact CG2-OG 3.19Å; I1229-I1234 HydrophobicContact CG2-CD1 3.9Å; I1229-I1234 HydrophobicContact CG2-CG1 3.74Å
1230	T	40.7	Very low	48.7	Very low	72 Å²	72	106.8 Å²	106.8	44%	0.442	61%	0.61	S	S	.	*			trans	-60.9	151.9	-176.7	63.5	0	0	0	0	109.2	S1228 G1232 S1233 I1234	S1228-T1230 PolarHBondContact O-N 3.47Å; T1230-G1232 PolarHBondContact O-N 3.45Å; T1230-S1233 PolarHBondContact N-OG 2.81Å; T1230-S1233 PolarHBondContact O-N 3.31Å; T1230-S1233 PolarHBondContact O-OG 3.18Å; T1230-S1233 PolarHBondContact OG1-N 2.84Å; T1230-I1234 PolarHBondContact O-N 3.18Å
1231	T	53	Low	51	Low	121 Å²	121	105.2 Å²	105.2	74%	0.742	61%	0.606	S	S	*	*	H	α-helix	trans	-51.6	-28.4	170.7	15.5	0	0	0	0	111.6	L1235	T1231-L1235 VanDerWaalsContact O-CB 3.3Å; T1231-L1235 WeakPolarHBondContact O-CB 3.1Å; T1231-L1235 WeakPolarHBondContact O-CD1 3.5Å; T1231-L1235 PolarHBondContact O-N 2.86Å
1232	G	62.1	Low	53.3	Low	34 Å²	34	101.3 Å²	101.3	35%	0.351	59%	0.59	S	S	.	*	H	α-helix	trans	-63.5	-37	171.3	0	0	0	0	0	115.3	T1230 L1235 I1236	T1230-G1232 PolarHBondContact O-N 3.45Å; G1232-L1235 CarbonylContact O-C 3.52Å; G1232-L1235 WeakPolarHBondContact O-CB 3.09Å; G1232-L1235 PolarHBondContact O-N 3.14Å; G1232-I1236 VanDerWaalsContact O-CG1 3.27Å; G1232-I1236 WeakPolarHBondContact O-CG1 3.23Å; G1232-I1236 PolarHBondContact O-N 3.06Å
1233	S	57.5	Low	55.7	Low	47 Å²	47	97.5 Å²	97.5	33%	0.329	57%	0.573	S	S	.	*	H	α-helix	trans	-79.6	-33.4	179.3	55.9	0	0	0	0	113.6	I1229 T1230 L1235 I1236 A1237	I1229-S1233 WeakPolarHBondContact CG2-OG 3.19Å; T1230-S1233 PolarHBondContact N-OG 2.81Å; T1230-S1233 PolarHBondContact O-N 3.31Å; T1230-S1233 PolarHBondContact O-OG 3.18Å; T1230-S1233 PolarHBondContact OG1-N 2.84Å; S1233-L1235 VanDerWaalsContact C-N 3.34Å; S1233-I1236 PolarHBondContact O-N 3.19Å; S1233-A1237 PolarHBondContact O-N 3.24Å
1234	I	62.7	Low	57.9	Low	91 Å²	91	93.6 Å²	93.6	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-66.4	-38.1	164.1	-73.6	164.6	0	0	0	110.1	I1229 T1230 I1236 A1237 I1238	I1229-I1234 HydrophobicContact CG2-CD1 3.9Å; I1229-I1234 HydrophobicContact CG2-CG1 3.74Å; T1230-I1234 PolarHBondContact O-N 3.18Å; I1234-I1236 PolarHBondContact O-N 3.38Å; I1234-A1237 PolarHBondContact O-N 3.4Å; I1234-I1238 HydrophobicContact CG2-CD1 3.67Å; I1234-I1238 HydrophobicContact CG2-CG1 4.36Å; I1234-I1238 WeakPolarHBondContact O-CB 3.32Å; I1234-I1238 VanDerWaalsContact O-CG1 3.3Å; I1234-I1238 WeakPolarHBondContact O-CG1 3.34Å; I1234-I1238 PolarHBondContact O-N 2.61Å
1235	L	64.7	Low	60.6	Low	104 Å²	104	89 Å²	89	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-59.4	-43.4	170.1	-113.3	79.3	0	0	0	111.9	T1231 G1232 S1233 A1237 I1238 V1239	T1231-L1235 VanDerWaalsContact O-CB 3.3Å; T1231-L1235 WeakPolarHBondContact O-CB 3.1Å; T1231-L1235 WeakPolarHBondContact O-CD1 3.5Å; T1231-L1235 PolarHBondContact O-N 2.86Å; G1232-L1235 CarbonylContact O-C 3.52Å; G1232-L1235 WeakPolarHBondContact O-CB 3.09Å; G1232-L1235 PolarHBondContact O-N 3.14Å; S1233-L1235 VanDerWaalsContact C-N 3.34Å; L1235-A1237 VanDerWaalsContact C-N 3.34Å; L1235-A1237 PolarHBondContact O-N 2.84Å; L1235-I1238 PolarHBondContact O-N 3.48Å; L1235-V1239 WeakPolarHBondContact O-CB 3.33Å; L1235-V1239 WeakPolarHBondContact O-CG2 3.41Å; L1235-V1239 PolarHBondContact O-N 2.73Å
1236	I	71.4	Confident	63.1	Low	122 Å²	122	90 Å²	90	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-38.7	179	-72.8	160.2	0	0	0	110.9	G1232 S1233 I1234 A1240	G1232-I1236 VanDerWaalsContact O-CG1 3.27Å; G1232-I1236 WeakPolarHBondContact O-CG1 3.23Å; G1232-I1236 PolarHBondContact O-N 3.06Å; S1233-I1236 PolarHBondContact O-N 3.19Å; I1234-I1236 PolarHBondContact O-N 3.38Å; I1236-A1240 WeakPolarHBondContact O-CB 3.46Å; I1236-A1240 PolarHBondContact O-N 3.47Å
1237	A	69.4	Low	65.6	Low	62 Å²	62	87.1 Å²	87.1	51%	0.512	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-44.9	173.3	0	0	0	0	0	112.1	S1233 I1234 L1235 A1240 L1241	S1233-A1237 PolarHBondContact O-N 3.24Å; I1234-A1237 PolarHBondContact O-N 3.4Å; L1235-A1237 VanDerWaalsContact C-N 3.34Å; L1235-A1237 PolarHBondContact O-N 2.84Å; A1237-A1240 PolarHBondContact O-N 2.81Å; A1237-L1241 WeakPolarHBondContact O-CB 3.39Å; A1237-L1241 PolarHBondContact O-N 2.94Å
1238	I	76.2	Confident	67.7	Low	102 Å²	102	84.7 Å²	84.7	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-37.2	177.1	-69	170.9	0	0	0	111.6	I1234 L1235 S1242	I1234-I1238 HydrophobicContact CG2-CD1 3.67Å; I1234-I1238 HydrophobicContact CG2-CG1 4.36Å; I1234-I1238 WeakPolarHBondContact O-CB 3.32Å; I1234-I1238 VanDerWaalsContact O-CG1 3.3Å; I1234-I1238 WeakPolarHBondContact O-CG1 3.34Å; I1234-I1238 PolarHBondContact O-N 2.61Å; L1235-I1238 PolarHBondContact O-N 3.48Å; I1238-S1242 VanDerWaalsContact O-CB 3.24Å; I1238-S1242 WeakPolarHBondContact O-CB 3.27Å; I1238-S1242 PolarHBondContact O-N 2.77Å; I1238-S1242 PolarHBondContact O-OG 3.02Å
1239	V	77.9	Confident	69.7	Low	74 Å²	74	84.5 Å²	84.5	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-70.5	-40.4	175.5	167.1	0	0	0	0	110.6	L1235 S1242 C1243	L1235-V1239 WeakPolarHBondContact O-CB 3.33Å; L1235-V1239 WeakPolarHBondContact O-CG2 3.41Å; L1235-V1239 PolarHBondContact O-N 2.73Å; V1239-S1242 WeakPolarHBondContact CA-OG 3.25Å; V1239-S1242 PolarHBondContact O-N 3.47Å; V1239-S1242 PolarHBondContact O-OG 3.25Å; V1239-S1242 VanDerWaalsContact O-OG 3.13Å; V1239-C1243 WeakPolarHBondContact O-CB 3.35Å; V1239-C1243 PolarHBondContact O-N 3.01Å; V1239-C1243 PolarHBondContact O-SG 3.02Å
1240	A	76.2	Confident	71.5	Confident	60 Å²	60	82.2 Å²	82.2	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-43	173.7	0	0	0	0	0	111.3	I1236 A1237 C1243 A1244	I1236-A1240 WeakPolarHBondContact O-CB 3.46Å; I1236-A1240 PolarHBondContact O-N 3.47Å; A1237-A1240 PolarHBondContact O-N 2.81Å; A1240-C1243 PolarHBondContact O-N 2.8Å; A1240-A1244 WeakPolarHBondContact O-CB 3.2Å; A1240-A1244 PolarHBondContact O-N 3.31Å
1241	L	79.3	Confident	73.1	Confident	115 Å²	115	80.7 Å²	80.7	60%	0.602	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-40.7	176.4	-157.9	77.1	0	0	0	111.6	A1237 A1244 I1245	A1237-L1241 WeakPolarHBondContact O-CB 3.39Å; A1237-L1241 PolarHBondContact O-N 2.94Å; L1241-A1244 PolarHBondContact O-N 3.06Å; L1241-I1245 HydrophobicContact CG-CD1 4.2Å; L1241-I1245 WeakPolarHBondContact O-CB 3.37Å; L1241-I1245 VanDerWaalsContact O-CG1 3.26Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.04Å; L1241-I1245 PolarHBondContact O-N 2.78Å
1242	S	79.6	Confident	74.1	Confident	48 Å²	48	79.1 Å²	79.1	34%	0.336	47%	0.473	S	S	.	.	H	α-helix	trans	-70	-36.6	176.2	76.5	0	0	0	0	111.9	I1238 V1239 I1245 I1246	I1238-S1242 VanDerWaalsContact O-CB 3.24Å; I1238-S1242 WeakPolarHBondContact O-CB 3.27Å; I1238-S1242 PolarHBondContact O-N 2.77Å; I1238-S1242 PolarHBondContact O-OG 3.02Å; V1239-S1242 WeakPolarHBondContact CA-OG 3.25Å; V1239-S1242 PolarHBondContact O-N 3.47Å; V1239-S1242 PolarHBondContact O-OG 3.25Å; V1239-S1242 VanDerWaalsContact O-OG 3.13Å; S1242-I1245 PolarHBondContact O-N 3.39Å; S1242-I1246 WeakPolarHBondContact O-CB 3.34Å; S1242-I1246 WeakPolarHBondContact O-CD1 3.38Å; S1242-I1246 WeakPolarHBondContact O-CG1 3.5Å; S1242-I1246 PolarHBondContact O-N 3.03Å
1243	C	79.6	Confident	74.4	Confident	60 Å²	60	81.2 Å²	81.2	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-65.9	-38.2	171.4	-76	0	0	0	0	111.8	V1239 A1240 I1246 L1247	V1239-C1243 WeakPolarHBondContact O-CB 3.35Å; V1239-C1243 PolarHBondContact O-N 3.01Å; V1239-C1243 PolarHBondContact O-SG 3.02Å; A1240-C1243 PolarHBondContact O-N 2.8Å; C1243-I1246 PolarHBondContact O-N 3.2Å; C1243-L1247 VanDerWaalsContact O-CB 3.28Å; C1243-L1247 WeakPolarHBondContact O-CB 3.3Å; C1243-L1247 WeakPolarHBondContact O-CG 3.38Å; C1243-L1247 PolarHBondContact O-N 2.7Å
1244	A	77.9	Confident	75	Confident	50 Å²	50	83.8 Å²	83.8	41%	0.413	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-46.2	172.9	0	0	0	0	0	111.5	A1240 L1241 L1247 V1248	A1240-A1244 WeakPolarHBondContact O-CB 3.2Å; A1240-A1244 PolarHBondContact O-N 3.31Å; L1241-A1244 PolarHBondContact O-N 3.06Å; A1244-L1247 PolarHBondContact O-N 2.93Å; A1244-V1248 WeakPolarHBondContact O-CG2 3.5Å; A1244-V1248 PolarHBondContact O-N 3.33Å
1245	I	82.1	Confident	75	Confident	93 Å²	93	86.5 Å²	86.5	48%	0.477	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-39.9	175.9	-69.1	164.9	0	0	0	111	L1241 S1242 V1248 L1249	L1241-I1245 HydrophobicContact CG-CD1 4.2Å; L1241-I1245 WeakPolarHBondContact O-CB 3.37Å; L1241-I1245 VanDerWaalsContact O-CG1 3.26Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.04Å; L1241-I1245 PolarHBondContact O-N 2.78Å; S1242-I1245 PolarHBondContact O-N 3.39Å; I1245-V1248 PolarHBondContact O-N 2.87Å; I1245-L1249 HydrophobicContact CG2-CD1 3.84Å; I1245-L1249 HydrophobicContact CG2-CG 4.33Å; I1245-L1249 VanDerWaalsContact O-CB 3.27Å; I1245-L1249 WeakPolarHBondContact O-CB 3.3Å; I1245-L1249 VanDerWaalsContact O-CG 3.25Å; I1245-L1249 WeakPolarHBondContact O-CG 3.5Å; I1245-L1249 PolarHBondContact O-N 2.77Å
1246	I	81	Confident	74.9	Confident	91 Å²	91	83.8 Å²	83.8	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-68	-36	175.5	-73.3	164.2	0	0	0	111.1	S1242 C1243 L1250	S1242-I1246 WeakPolarHBondContact O-CB 3.34Å; S1242-I1246 WeakPolarHBondContact O-CD1 3.38Å; S1242-I1246 WeakPolarHBondContact O-CG1 3.5Å; S1242-I1246 PolarHBondContact O-N 3.03Å; C1243-I1246 PolarHBondContact O-N 3.2Å; I1246-L1250 HydrophobicContact CG2-CD1 3.82Å; I1246-L1250 HydrophobicContact CG2-CG 4.28Å; I1246-L1250 WeakPolarHBondContact O-CB 3.44Å; I1246-L1250 WeakPolarHBondContact O-CG 3.41Å; I1246-L1250 PolarHBondContact O-N 2.82Å
1247	L	81.3	Confident	74.2	Confident	121 Å²	121	81.1 Å²	81.1	63%	0.634	47%	0.468	S	S	*	.	H	α-helix	trans	-72.3	-35.1	174.8	-75.6	169.8	0	0	0	112.2	C1243 A1244 G1251	C1243-L1247 VanDerWaalsContact O-CB 3.28Å; C1243-L1247 WeakPolarHBondContact O-CB 3.3Å; C1243-L1247 WeakPolarHBondContact O-CG 3.38Å; C1243-L1247 PolarHBondContact O-N 2.7Å; A1244-L1247 PolarHBondContact O-N 2.93Å; L1247-G1251 PolarHBondContact O-N 2.86Å
1248	V	76.7	Confident	73.4	Confident	91 Å²	91	86.1 Å²	86.1	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-68.5	-43.5	171.3	170.2	0	0	0	0	110.7	A1244 I1245 G1251 I1252	A1244-V1248 WeakPolarHBondContact O-CG2 3.5Å; A1244-V1248 PolarHBondContact O-N 3.33Å; I1245-V1248 PolarHBondContact O-N 2.87Å; V1248-G1251 PolarHBondContact O-N 2.74Å; V1248-I1252 HydrophobicContact CG1-CD1 3.89Å; V1248-I1252 WeakPolarHBondContact O-CB 3.25Å; V1248-I1252 VanDerWaalsContact O-CG1 3.28Å; V1248-I1252 WeakPolarHBondContact O-CG1 3.43Å; V1248-I1252 PolarHBondContact O-N 3.24Å
1249	L	76.9	Confident	72.1	Confident	88 Å²	88	87.4 Å²	87.4	46%	0.461	48%	0.479	S	S	.	.	H	α-helix	trans	-66.7	-36.8	174.6	-73.9	172.4	0	0	0	112.2	I1245 I1252 I1253	I1245-L1249 HydrophobicContact CG2-CD1 3.84Å; I1245-L1249 HydrophobicContact CG2-CG 4.33Å; I1245-L1249 VanDerWaalsContact O-CB 3.27Å; I1245-L1249 WeakPolarHBondContact O-CB 3.3Å; I1245-L1249 VanDerWaalsContact O-CG 3.25Å; I1245-L1249 WeakPolarHBondContact O-CG 3.5Å; I1245-L1249 PolarHBondContact O-N 2.77Å; L1249-I1252 PolarHBondContact O-N 3.28Å; L1249-I1253 VanDerWaalsContact O-CB 3.24Å; L1249-I1253 WeakPolarHBondContact O-CB 3.35Å; L1249-I1253 WeakPolarHBondContact O-CD1 3.41Å; L1249-I1253 WeakPolarHBondContact O-CG1 3.49Å; L1249-I1253 PolarHBondContact O-N 3.44Å
1250	L	75.4	Confident	70.2	Confident	81 Å²	81	89.9 Å²	89.9	42%	0.424	48%	0.48	S	S	.	.	H	α-helix	trans	-68.3	-37.3	171.5	-79.1	169.5	0	0	0	111.3	I1246 I1253 I1254	I1246-L1250 HydrophobicContact CG2-CD1 3.82Å; I1246-L1250 HydrophobicContact CG2-CG 4.28Å; I1246-L1250 WeakPolarHBondContact O-CB 3.44Å; I1246-L1250 WeakPolarHBondContact O-CG 3.41Å; I1246-L1250 PolarHBondContact O-N 2.82Å; L1250-I1253 PolarHBondContact O-N 2.68Å; L1250-I1254 VanDerWaalsContact O-CB 3.28Å; L1250-I1254 WeakPolarHBondContact O-CB 3.24Å; L1250-I1254 WeakPolarHBondContact O-CD1 3.32Å; L1250-I1254 WeakPolarHBondContact O-CG1 3.49Å; L1250-I1254 PolarHBondContact O-N 3.44Å
1251	G	74.3	Confident	68.2	Low	39 Å²	39	90.5 Å²	90.5	40%	0.402	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-45.1	171.4	0	0	0	0	0	111.8	L1247 V1248 Y1255	L1247-G1251 PolarHBondContact O-N 2.86Å; V1248-G1251 PolarHBondContact O-N 2.74Å; G1251-Y1255 WeakPolarHBondContact O-CB 3.3Å; G1251-Y1255 PolarHBondContact O-N 2.88Å
1252	I	74	Confident	66	Low	89 Å²	89	94 Å²	94	46%	0.456	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-42.5	175.3	-68.2	164.5	0	0	0	111.2	V1248 L1249 Y1255 V1256	V1248-I1252 HydrophobicContact CG1-CD1 3.89Å; V1248-I1252 WeakPolarHBondContact O-CB 3.25Å; V1248-I1252 VanDerWaalsContact O-CG1 3.28Å; V1248-I1252 WeakPolarHBondContact O-CG1 3.43Å; V1248-I1252 PolarHBondContact O-N 3.24Å; L1249-I1252 PolarHBondContact O-N 3.28Å; I1252-Y1255 PolarHBondContact O-N 3.11Å; I1252-V1256 HydrophobicContact CG2-CG2 4.32Å; I1252-V1256 WeakPolarHBondContact O-CB 3.44Å; I1252-V1256 VanDerWaalsContact O-CG2 3.22Å; I1252-V1256 WeakPolarHBondContact O-CG2 3.32Å; I1252-V1256 PolarHBondContact O-N 3.31Å
1253	I	69.1	Low	63.7	Low	77 Å²	77	98.8 Å²	98.8	40%	0.395	52%	0.521	S	S	.	.	H	α-helix	trans	-66.5	-41.7	178	-73.4	163.5	0	0	0	110.6	L1249 L1250 V1256 C1257	L1249-I1253 VanDerWaalsContact O-CB 3.24Å; L1249-I1253 WeakPolarHBondContact O-CB 3.35Å; L1249-I1253 WeakPolarHBondContact O-CD1 3.41Å; L1249-I1253 WeakPolarHBondContact O-CG1 3.49Å; L1249-I1253 PolarHBondContact O-N 3.44Å; L1250-I1253 PolarHBondContact O-N 2.68Å; I1253-V1256 PolarHBondContact O-N 3.02Å; I1253-C1257 WeakPolarHBondContact O-CB 3.49Å; I1253-C1257 PolarHBondContact O-N 3.09Å; I1253-C1257 PolarHBondContact O-SG 3.39Å
1254	I	68.5	Low	61.3	Low	101 Å²	101	101.3 Å²	101.3	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-48.9	172.7	-70.3	164.1	0	0	0	109.4	L1250 V1256 C1257 E1258	L1250-I1254 VanDerWaalsContact O-CB 3.28Å; L1250-I1254 WeakPolarHBondContact O-CB 3.24Å; L1250-I1254 WeakPolarHBondContact O-CD1 3.32Å; L1250-I1254 WeakPolarHBondContact O-CG1 3.49Å; L1250-I1254 PolarHBondContact O-N 3.44Å; I1254-V1256 PolarHBondContact O-N 3.03Å; I1254-C1257 PolarHBondContact O-N 3.48Å; I1254-E1258 WeakPolarHBondContact O-CB 3.38Å; I1254-E1258 PolarHBondContact O-N 3.14Å
1255	Y	63.8	Low	58.9	Low	149 Å²	149	107.2 Å²	107.2	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-61.8	-26.4	178.4	-174.2	-97.8	0	0	0	114.4	G1251 I1252 R1259	G1251-Y1255 WeakPolarHBondContact O-CB 3.3Å; G1251-Y1255 PolarHBondContact O-N 2.88Å; I1252-Y1255 PolarHBondContact O-N 3.11Å; Y1255-R1259 VanDerWaalsContact CZ-NH1 3.29Å; Y1255-R1259 PolarHBondContact OH-NH1 3.27Å
1256	V	62.2	Low	56.5	Low	47 Å²	47	108.1 Å²	108.1	29%	0.285	56%	0.56	S	S	.	*	H	α-helix	trans	-90	-39.4	176.8	170.2	0	0	0	0	111.9	I1252 I1253 I1254 R1259 R1260	I1252-V1256 HydrophobicContact CG2-CG2 4.32Å; I1252-V1256 WeakPolarHBondContact O-CB 3.44Å; I1252-V1256 VanDerWaalsContact O-CG2 3.22Å; I1252-V1256 WeakPolarHBondContact O-CG2 3.32Å; I1252-V1256 PolarHBondContact O-N 3.31Å; I1253-V1256 PolarHBondContact O-N 3.02Å; I1254-V1256 PolarHBondContact O-N 3.03Å; V1256-R1259 PolarHBondContact O-N 3.47Å; V1256-R1260 PolarHBondContact O-N 3.31Å
1257	C	56	Low	54.1	Low	65 Å²	65	108.8 Å²	108.8	44%	0.439	57%	0.573	S	S	.	*	H	α-helix	trans	-74.7	-39.2	178.6	-69.8	0	0	0	0	112.6	I1253 I1254 R1259 R1260	I1253-C1257 WeakPolarHBondContact O-CB 3.49Å; I1253-C1257 PolarHBondContact O-N 3.09Å; I1253-C1257 PolarHBondContact O-SG 3.39Å; I1254-C1257 PolarHBondContact O-N 3.48Å; C1257-R1259 PolarHBondContact O-N 3.02Å; C1257-R1260 PolarHBondContact O-N 3.39Å
1258	E	53.4	Low	51.6	Low	168 Å²	168	108.9 Å²	108.9	79%	0.785	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-13.2	173	-169.3	168.2	-129.9	0	0	112	I1254	I1254-E1258 WeakPolarHBondContact O-CB 3.38Å; I1254-E1258 PolarHBondContact O-N 3.14Å
1259	R	48.7	Very low	49.5	Very low	129 Å²	129	112 Å²	112	49%	0.487	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106	-1.3	179.9	-137.7	169.2	-178.3	154.8	-1.1	114.6	Y1255 V1256 C1257 S1365	Y1255-R1259 VanDerWaalsContact CZ-NH1 3.29Å; Y1255-R1259 PolarHBondContact OH-NH1 3.27Å; V1256-R1259 PolarHBondContact O-N 3.47Å; C1257-R1259 PolarHBondContact O-N 3.02Å; R1259-S1365 PolarHBondContact NE-OG 3.28Å; R1259-S1365 PolarHBondContact NH2-OG 3.04Å
1260	R	37.7	Very low	47.3	Very low	125 Å²	125	115.1 Å²	115.1	47%	0.472	59%	0.594	S	S	.	*	S	Bend	trans	-149	116.3	-178.7	-74	-163.5	158.6	-148.7	-14.4	115.5	V1256 C1257 N1367 S1368	V1256-R1260 PolarHBondContact O-N 3.31Å; C1257-R1260 PolarHBondContact O-N 3.39Å; R1260-N1367 VanDerWaalsContact CD-O 3.28Å; R1260-N1367 WeakPolarHBondContact CD-O 3.31Å; R1260-N1367 VanDerWaalsContact CZ-C 3.41Å; R1260-N1367 VanDerWaalsContact CZ-CA 3.49Å; R1260-N1367 PolarHBondContact NE-O 3.08Å; R1260-N1367 VanDerWaalsContact NH2-N 3.12Å; R1260-S1368 VanDerWaalsContact CD-O 3.25Å; R1260-S1368 WeakPolarHBondContact CD-O 3.24Å; R1260-S1368 PolarHBondContact NH1-O 3.32Å
1261	G	34.5	Very low	45.3	Very low	74 Å²	74	117 Å²	117	76%	0.763	60%	0.604	S	S	*	*			trans	101.9	104.6	174.2	0	0	0	0	0	112.4
1262	F	32.2	Very low	43.3	Very low	187 Å²	187	120.4 Å²	120.4	82%	0.82	62%	0.617	S	S	*	*			cis	89.7	107.4	25	-140	-93.3	0	0	0	114.9
1263	Q	33	Very low	41.3	Very low	149 Å²	149	122.5 Å²	122.5	70%	0.696	63%	0.629	S	S	*	*			trans	69	146.9	168.7	-74.2	-174.2	10.1	0	0	117.6
1264	N	29.5	Very low	39.6	Very low	113 Å²	113	123.6 Å²	123.6	60%	0.604	64%	0.639	S	S	*	*			cis	-161.6	160.8	13	-116.4	-21	0	0	0	114
1265	F	27.2	Very low	37.8	Very low	174 Å²	174	125.4 Å²	125.4	76%	0.763	65%	0.65	S	S	*	*			trans	65.9	117.8	152.4	-86.6	-113.4	0	0	0	124.5
1266	C	30.4	Very low	36.4	Very low	112 Å²	112	124.4 Å²	124.4	76%	0.757	66%	0.659	S	S	*	*			trans	47.1	130.7	136.9	-55.8	0	0	0	0	121.5
1267	S	30.7	Very low	34.9	Very low	105 Å²	105	128 Å²	128	73%	0.734	68%	0.682	S	S	*	*				178.3	139.6	58.7	-171.6	0	0	0	0	114.1
1268	N	29.6	Very low	33.9	Very low	124 Å²	124	132.8 Å²	132.8	66%	0.663	70%	0.701	S	S	*	*			trans	36.6	157.6	148.8	-72	-17.8	0	0	0	125.8
1269	H	32.2	Very low	32.7	Very low	156 Å²	156	131.6 Å²	131.6	72%	0.722	70%	0.7	S	S	*	*			trans	78	136.5	164.7	-66.7	-62.6	0	0	0	117.7
1270	H	31.5	Very low	31.8	Very low	154 Å²	154	130.7 Å²	130.7	71%	0.713	71%	0.714	S	S	*	*			cis	-168.4	170	-12	-134.5	-3.4	0	0	0	112.8
1271	I	33.6	Very low	31.4	Very low	121 Å²	121	131.9 Å²	131.9	62%	0.621	73%	0.729	S	S	*	*			trans	79.4	101.4	142	-76.8	165	0	0	0	121.4
1272	T	31.9	Very low	31.3	Very low	110 Å²	110	135.8 Å²	135.8	68%	0.675	73%	0.731	S	S	*	*			trans	70.5	155.3	132.2	70.2	0	0	0	0	121.7
1273	N	31.4	Very low	31.2	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	73%	0.726	S	S	*	*			cis	-162.9	146.9	-10.5	-113.9	2.5	0	0	0	115.7
1274	T	32.8	Very low	31.1	Very low	100 Å²	100	133.1 Å²	133.1	61%	0.613	73%	0.725	S	S	*	*			trans	54	131.4	137.3	64	0	0	0	0	125.7
1275	N	32	Very low	31.1	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	73%	0.726	S	S	*	*				72.2	155.6	129.5	-61.5	-0.6	0	0	0	120
1276	T	33.6	Very low	31.3	Very low	127 Å²	127	131.9 Å²	131.9	78%	0.779	72%	0.722	S	S	*	*			cis	-151.7	164.3	3.2	-10.4	0	0	0	0	112.5
1277	T	30.5	Very low	31.3	Very low	123 Å²	123	132.1 Å²	132.1	76%	0.755	72%	0.715	S	S	*	*			trans	-77.3	160	167.8	49.8	0	0	0	0	114.3
1278	I	34.6	Very low	31.4	Very low	165 Å²	165	133.7 Å²	133.7	85%	0.846	72%	0.716	S	S	*	*			trans	-168.2	159.3	135.2	-101.6	158.9	0	0	0	113
1279	N	28.9	Very low	31.7	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	72%	0.719	S	S	*	*			trans	-68.1	167.4	-162.3	-56.8	-35.9	0	0	0	119.5
1280	S	30.9	Very low	31.8	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	72%	0.718	S	S	*	*				109.4	118	129.3	69.4	0	0	0	0	121.1
1281	N	29.1	Very low	31.8	Very low	150 Å²	150	134.2 Å²	134.2	80%	0.802	72%	0.724	S	S	*	*			trans	-1.4	130.1	152.7	-46.8	-12	0	0	0	119.1
1282	I	32	Very low	31.7	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	73%	0.729	S	S	*	*				177.2	138.1	108.7	-91.4	159.9	0	0	0	111.8
1283	H	30.7	Very low	31.6	Very low	155 Å²	155	139.2 Å²	139.2	72%	0.718	74%	0.738	S	S	*	*			trans	30.8	124.8	160.7	-77.8	-60.7	0	0	0	124.4
1284	N	29.7	Very low	31.6	Very low	125 Å²	125	140.6 Å²	140.6	67%	0.668	75%	0.745	S	S	*	*				85.2	124.5	125	-67.1	7.2	0	0	0	122.8
1285	N	30.2	Very low	31.5	Very low	118 Å²	118	142.9 Å²	142.9	63%	0.631	75%	0.753	S	S	*	*			trans	68.1	105.1	136.3	-66.6	48.4	0	0	0	120.7
1286	E	30.7	Very low	31.4	Very low	144 Å²	144	143.9 Å²	143.9	67%	0.673	76%	0.758	S	S	*	*				107.9	123.4	109.9	-85	-177	-123.3	0	0	120.6
1287	N	31.7	Very low	31.4	Very low	116 Å²	116	143.2 Å²	143.2	62%	0.62	76%	0.757	S	S	*	*			trans	81	94.8	140.1	-54.9	-19.1	0	0	0	120.2
1288	N	32.4	Very low	31.2	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	76%	0.76	S	S	*	*				96.3	147.2	124.9	-64.1	-6.3	0	0	0	120.9
1289	H	35.5	Very low	30.9	Very low	157 Å²	157	144.8 Å²	144.8	73%	0.727	75%	0.754	S	S	*	*			trans	87.8	118.7	161.9	-79.1	-71	0	0	0	121
1290	D	33.7	Very low	30.9	Very low	133 Å²	133	148.4 Å²	148.4	71%	0.711	76%	0.758	S	S	*	*			trans	85.1	106.7	140.7	-52.3	-15.9	0	0	0	122.1
1291	D	32.3	Very low	30.7	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	75%	0.754	S	S	*	*			trans	79.5	128.9	136.7	-89.3	-28.8	0	0	0	125.7
1292	S	31.8	Very low	30.6	Very low	104 Å²	104	149 Å²	149	73%	0.727	75%	0.751	S	S	*	*			trans	92.1	108.9	145	76.9	0	0	0	0	122.3
1293	R	30.1	Very low	30.5	Very low	233 Å²	233	148.4 Å²	148.4	88%	0.879	75%	0.745	S	S	*	*			trans	44.4	110.5	135.9	-62.4	177.4	173	-178.4	-2.8	120.3
1294	L	30.7	Very low	30.5	Very low	160 Å²	160	147.2 Å²	147.2	84%	0.838	74%	0.744	S	S	*	*				-171.5	166.1	96.7	-137.1	71.3	0	0	0	113.9
1295	N	30.4	Very low	30.5	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	74%	0.742	S	S	*	*			trans	-58.5	140.9	-171.2	-52.1	-17	0	0	0	117
1296	N	30.8	Very low	30.6	Very low	160 Å²	160	150.3 Å²	150.3	86%	0.856	75%	0.75	S	S	*	*			trans	-161.3	151.1	131.6	-129.5	2.7	0	0	0	111.1
1297	P	33	Very low	30.4	Very low	114 Å²	114	147.3 Å²	147.3	74%	0.74	75%	0.745	S	S	*	*			trans	-102.9	137.7	-172.9	36.6	-31.1	0	0	0	114.4
1298	M	26.9	Very low	30.2	Very low	167 Å²	167	150.9 Å²	150.9	82%	0.823	76%	0.755	S	S	*	*			trans	-172	168.9	152.7	-112.3	-67.5	-100.4	0	0	112.6
1299	Q	26.9	Very low	30	Very low	154 Å²	154	149.9 Å²	149.9	72%	0.72	75%	0.75	S	S	*	*			trans	-71	124.9	-171.8	-60	163.3	-34.5	0	0	114.9
1300	Y	28.7	Very low	29.6	Very low	218 Å²	218	147.9 Å²	147.9	86%	0.855	75%	0.745	S	S	*	*			trans	-146.9	125	146.9	-81.1	-86.5	0	0	0	106.6
1301	L	27.8	Very low	29.4	Very low	131 Å²	131	147.4 Å²	147.4	69%	0.686	74%	0.742	S	S	*	*				82.3	111.1	50.8	-71.5	170.9	0	0	0	114.5
1302	L	27.5	Very low	29.2	Very low	142 Å²	142	145.7 Å²	145.7	74%	0.743	73%	0.733	S	S	*	*			trans	70.3	151.6	153.5	-86	76.8	0	0	0	117.7
1303	H	29.5	Very low	29.1	Very low	143 Å²	143	147.4 Å²	147.4	66%	0.662	73%	0.734	S	S	*	*			cis	-151.6	-171.4	-2	-144.2	15.2	0	0	0	113
1304	N	29.9	Very low	29.1	Very low	131 Å²	131	143 Å²	143	70%	0.701	73%	0.726	S	S	*	*			trans	95.1	127.4	170.8	-53.7	-12.7	0	0	0	116
1305	H	30	Very low	28.8	Very low	136 Å²	136	143.2 Å²	143.2	63%	0.63	72%	0.72	S	S	*	*			cis	-158.7	172.7	-20.5	-125.9	-60.2	0	0	0	110.2
1306	H	32	Very low	28.7	Very low	172 Å²	172	142 Å²	142	80%	0.796	71%	0.713	S	S	*	*			trans	70.5	106	-176.5	-53.2	-79.4	0	0	0	114
1307	S	26.1	Very low	28.7	Very low	80 Å²	80	141.7 Å²	141.7	56%	0.559	71%	0.71	S	S	*	*			cis	72.5	98.4	37.1	-170.3	0	0	0	0	115.2
1308	F	28.8	Very low	28.6	Very low	191 Å²	191	141.5 Å²	141.5	84%	0.838	70%	0.703	S	S	*	*				-179.3	106.2	110.2	-98.1	-76.6	0	0	0	106.6
1309	N	27.5	Very low	28.6	Very low	118 Å²	118	140.2 Å²	140.2	63%	0.631	69%	0.693	S	S	*	*			cis	97.9	135.6	45.3	-171.1	29.5	0	0	0	112.8
1310	N	28.2	Very low	28.6	Very low	115 Å²	115	139 Å²	139	62%	0.615	69%	0.685	S	S	*	*			trans	73.9	107.2	165.9	-78	-23.4	0	0	0	122.1
1311	N	28.4	Very low	28.5	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	68%	0.675	S	S	*	*				101.1	110.6	113.1	-71.1	-18.9	0	0	0	122.9
1312	N	28.7	Very low	28.5	Very low	119 Å²	119	132 Å²	132	64%	0.636	65%	0.654	S	S	*	*				77	94.1	125.5	-69.7	-36.2	0	0	0	122
1313	N	30.3	Very low	28.5	Very low	139 Å²	139	133 Å²	133	74%	0.743	65%	0.648	S	S	*	*				64.9	170.9	102.4	-76	-48.1	0	0	0	120.8
1314	I	28.2	Very low	28.3	Very low	142 Å²	142	133.4 Å²	133.4	73%	0.728	65%	0.648	S	S	*	*			trans	80.2	123.6	165.5	-53.2	-174.9	0	0	0	113.2
1315	K	26.1	Very low	28.2	Very low	164 Å²	164	134.6 Å²	134.6	71%	0.713	66%	0.655	S	S	*	*			cis	-142.4	149.6	-0.6	-107.4	150.8	-169.9	161.5	0	107.5
1316	L	28.5	Very low	28.1	Very low	124 Å²	124	135 Å²	135	65%	0.649	66%	0.66	S	S	*	*			cis	77.2	101.2	21.4	-144.9	-177.6	0	0	0	115.1
1317	I	30.6	Very low	28	Very low	152 Å²	152	132 Å²	132	78%	0.779	65%	0.649	S	S	*	*			trans	-173.6	141.6	160	-93.5	145.3	0	0	0	105.2
1318	D	29.4	Very low	28	Very low	110 Å²	110	133.4 Å²	133.4	59%	0.588	65%	0.65	S	S	*	*			cis	-171.8	169	-33.3	-102.4	-28.7	0	0	0	106.5
1319	K	28.3	Very low	27.9	Very low	141 Å²	141	130 Å²	130	61%	0.613	65%	0.651	S	S	*	*			cis	-165.2	149.7	-47.7	-122.2	-167.9	-151.4	91.5	0	108.1
1320	K	26	Very low	27.8	Very low	128 Å²	128	128.7 Å²	128.7	56%	0.557	64%	0.641	S	S	*	*			trans	59.2	123.6	157.2	-64.4	-175.9	168	-160.9	0	120.8	H1322	K1320-H1322 VanDerWaalsContact CE-NE2 3.31Å; K1320-H1322 WeakPolarHBondContact CE-NE2 3.26Å; K1320-H1322 PolarHBondContact NZ-NE2 2.86Å
1321	F	27.3	Very low	27.8	Very low	150 Å²	150	129.9 Å²	129.9	66%	0.658	64%	0.637	S	S	*	*				-148.5	111	106	-104.1	-84	0	0	0	106.1
1322	H	26.4	Very low	27.7	Very low	52 Å²	52	127.6 Å²	127.6	24%	0.241	63%	0.631	C	S	.	*				49.3	103.3	76.1	-76.3	-104.5	0	0	0	111.8	K1320 T1621	K1320-H1322 VanDerWaalsContact CE-NE2 3.31Å; K1320-H1322 WeakPolarHBondContact CE-NE2 3.26Å; K1320-H1322 PolarHBondContact NZ-NE2 2.86Å; H1322-T1621 PolarHBondContact CE1-OG1 3.31Å; H1322-T1621 PolarHBondContact ND1-OG1 3.32Å
1323	W	28.1	Very low	27.5	Very low	162 Å²	162	125.7 Å²	125.7	61%	0.614	62%	0.621	S	S	*	*			cis	79	114.9	35.7	85.2	-120.9	0	0	0	116.5
1324	K	26.4	Very low	27.3	Very low	152 Å²	152	123.8 Å²	123.8	66%	0.661	61%	0.61	S	S	*	*			trans	68	109.9	152.5	-137	173.7	-167.1	175.7	0	119.8
1325	N	27.3	Very low	27.3	Very low	157 Å²	157	121.7 Å²	121.7	84%	0.84	60%	0.601	S	S	*	*			trans	-145.9	132.3	150.2	-107.5	-2.6	0	0	0	105.2
1326	I	28.3	Very low	27.3	Very low	144 Å²	144	120.8 Å²	120.8	74%	0.738	60%	0.604	S	S	*	*			cis	-131	148.6	-4.7	-75.8	167.6	0	0	0	108.3
1327	L	29.3	Very low	27.2	Very low	110 Å²	110	121.8 Å²	121.8	58%	0.576	61%	0.61	S	S	*	*			trans	-125.3	161.7	166.9	-117.9	-174.7	0	0	0	108.5
1328	N	25.3	Very low	27	Very low	108 Å²	108	121.2 Å²	121.2	58%	0.578	61%	0.607	S	S	*	*			trans	72.4	121.2	166.2	-51.3	-14.9	0	0	0	118
1329	S	26.6	Very low	27	Very low	121 Å²	121	122.2 Å²	122.2	85%	0.846	62%	0.617	S	S	*	*			trans	-133.5	120.2	131.7	59.9	0	0	0	0	108.3
1330	E	26	Very low	26.8	Very low	90 Å²	90	120.9 Å²	120.9	42%	0.421	62%	0.621	S	S	.	*			trans	-84.1	129	-176.8	-58.9	168.8	174.9	0	0	111.5	N1617	E1330-N1617 PolarHBondContact OE1-ND2 2.66Å
1331	Y	27.6	Very low	26.8	Very low	140 Å²	140	120.6 Å²	120.6	55%	0.549	63%	0.625	S	S	.	*			trans	-163.1	109.7	144.6	-79.4	-49.9	0	0	0	108	S43 T44 N45	S43-Y1331 WeakPolarHBondContact CA-OH 3.49Å; S43-Y1331 WeakPolarHBondContact CB-OH 3.09Å; T44-Y1331 HydrophobicContact CG2-CE1 3.66Å; T44-Y1331 VanDerWaalsContact N-CZ 3.31Å; T44-Y1331 PolarHBondContact N-OH 2.96Å; T44-Y1331 VanDerWaalsContact N-OH 3.12Å; N45-Y1331 WeakPolarHBondContact OD1-CD1 3.47Å; N45-Y1331 VanDerWaalsContact OD1-CG 3.32Å
1332	S	26.1	Very low	26.7	Very low	75 Å²	75	123.1 Å²	123.1	52%	0.524	63%	0.632	S	S	.	*			cis	76.6	128.5	45.8	-164.3	0	0	0	0	113.5	N45	N45-S1332 VanDerWaalsContact CG-O 3.26Å; N45-S1332 VanDerWaalsContact ND2-CB 3.34Å; N45-S1332 WeakPolarHBondContact ND2-CB 3.45Å; N45-S1332 PolarHBondContact ND2-O 2.99Å; N45-S1332 PolarHBondContact ND2-OG 3.46Å; N45-S1332 PolarHBondContact OD1-O 3.39Å
1333	N	25.9	Very low	26.9	Very low	78 Å²	78	125.6 Å²	125.6	42%	0.417	65%	0.652	S	S	.	*			trans	82.3	113.2	162	-57	0.1	0	0	0	120.6	N45 H46	N45-N1333 HydrophobicContact CB-CB 4.25Å; N45-N1333 VanDerWaalsContact ND2-CG 3.31Å; N45-N1333 PolarHBondContact ND2-ND2 3.48Å; N45-N1333 VanDerWaalsContact ND2-ND2 3.15Å; H46-N1333 PolarHBondContact CD2-ND2 2.91Å; H46-N1333 PolarHBondContact CE1-ND2 2.92Å; H46-N1333 PolarHBondContact NE2-ND2 3.37Å
1334	N	26.2	Very low	26.6	Very low	99 Å²	99	124.9 Å²	124.9	53%	0.529	66%	0.66	S	S	.	*			trans	51.5	111.7	137.1	-63.2	28.8	0	0	0	117.8
1335	N	27	Very low	26.7	Very low	99 Å²	99	127.8 Å²	127.8	53%	0.529	67%	0.673	S	S	.	*				-161.9	166.9	51.5	-96.5	-24.9	0	0	0	114.3	S48	S48-N1335 WeakPolarHBondContact OG-CB 3.26Å; S48-N1335 PolarHBondContact OG-ND2 2.93Å
1336	N	26.2	Very low	26.5	Very low	144 Å²	144	125.1 Å²	125.1	77%	0.77	67%	0.667	S	S	*	*			trans	-28.4	128.9	167.5	-54.4	-26.7	0	0	0	116.3
1337	N	27.6	Very low	26.3	Very low	146 Å²	146	125.4 Å²	125.4	78%	0.781	67%	0.668	S	S	*	*			trans	-154.8	102.2	130.8	-104.5	-22.5	0	0	0	111.4
1338	I	26.6	Very low	26	Very low	140 Å²	140	127.7 Å²	127.7	72%	0.718	68%	0.68	S	S	*	*	S	Bend	trans	26.7	109	137.7	-52.2	164.2	0	0	0	114.3
1339	T	28.9	Very low	26	Very low	131 Å²	131	128.9 Å²	128.9	80%	0.804	69%	0.685	S	S	*	*				-119.5	142.6	53.9	-18.1	0	0	0	0	114.8
1340	T	24.6	Very low	25.9	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	68%	0.682	S	S	*	*			trans	-75.1	144.7	178.5	44.6	0	0	0	0	111.8
1341	L	24.6	Very low	25.9	Very low	122 Å²	122	131.4 Å²	131.4	64%	0.639	69%	0.692	S	S	*	*			cis	77.9	128.8	35.4	-64.8	173.2	0	0	0	116
1342	Y	26.6	Very low	25.9	Very low	203 Å²	203	133.3 Å²	133.3	80%	0.796	71%	0.706	S	S	*	*			trans	67.5	170	149.4	-62.4	-36.5	0	0	0	118.6
1343	P	30	Very low	25.9	Very low	103 Å²	103	135.5 Å²	135.5	67%	0.669	71%	0.711	S	S	*	*			cis	-138	-163.4	-44.9	38.9	-21.9	0	0	0	112.8
1344	N	22.5	Very low	26.2	Very low	147 Å²	147	139 Å²	139	79%	0.786	73%	0.725	S	S	*	*			trans	19.7	126.7	142.9	-64	-23.6	0	0	0	121.3
1345	K	27.4	Very low	26.3	Very low	213 Å²	213	140.3 Å²	140.3	93%	0.926	73%	0.732	S	S	*	*			trans	29.7	91.4	142	-73.5	-172.7	172.7	-177.7	0	118.7
1346	S	23.4	Very low	26.5	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	74%	0.735	S	S	*	*			trans	-152.7	138.1	142.4	48.5	0	0	0	0	106.6
1347	I	23.5	Very low	26.5	Very low	149 Å²	149	141.6 Å²	141.6	76%	0.764	73%	0.731	S	S	*	*			cis	64.3	55.7	39.1	-43.1	-175.4	0	0	0	112.6
1348	L	23.8	Very low	26.4	Very low	159 Å²	159	141.7 Å²	141.7	83%	0.832	73%	0.731	S	S	*	*			trans	-133.6	128.4	135.4	-72.6	166.7	0	0	0	103.4
1349	I	23.9	Very low	26.4	Very low	132 Å²	132	140.1 Å²	140.1	68%	0.677	72%	0.719	S	S	*	*			cis	48.5	66.4	23.5	-43	-176.2	0	0	0	111.2
1350	D	24.7	Very low	26.3	Very low	147 Å²	147	139 Å²	139	79%	0.786	71%	0.708	S	S	*	*				-129.9	167.9	110.3	-143.9	-24.3	0	0	0	110
1351	N	26.2	Very low	26.3	Very low	117 Å²	117	141.1 Å²	141.1	63%	0.626	71%	0.705	S	S	*	*			trans	-99.3	125.5	-151.2	-63.6	-94.7	0	0	0	114
1352	H	27.3	Very low	26.4	Very low	181 Å²	181	142.5 Å²	142.5	84%	0.838	70%	0.702	S	S	*	*				-163.5	95.7	128	-94.2	-31.9	0	0	0	112.9
1353	N	28	Very low	26.5	Very low	120 Å²	120	138.1 Å²	138.1	64%	0.642	69%	0.685	S	S	*	*			trans	49.6	113.4	147.9	-67.7	16.8	0	0	0	122.7
1354	H	30.4	Very low	26.5	Very low	153 Å²	153	140.4 Å²	140.4	71%	0.708	69%	0.686	S	S	*	*			trans	71.7	98.2	139.5	-66	-62.2	0	0	0	121.6
1355	N	29.9	Very low	26.7	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	67%	0.672	S	S	*	*				42.7	144.8	95.8	-63.1	51.5	0	0	0	119.5
1356	D	29.4	Very low	26.8	Very low	111 Å²	111	132.9 Å²	132.9	59%	0.594	66%	0.662	S	S	*	*			cis	-155.2	176.4	7.8	-128.6	-31.3	0	0	0	116.6
1357	K	27.4	Very low	27	Very low	160 Å²	160	133.5 Å²	133.5	70%	0.696	66%	0.657	S	S	*	*			trans	-32.8	148.7	176.6	-64.8	158.9	-158.6	83.6	0	118.2
1358	L	25.6	Very low	27.2	Very low	147 Å²	147	129.1 Å²	129.1	77%	0.77	64%	0.64	S	S	*	*			cis	92.5	103.3	47	-135.8	144.5	0	0	0	114.7
1359	F	25.6	Very low	27.2	Very low	108 Å²	108	128.5 Å²	128.5	47%	0.474	64%	0.636	S	S	.	*			trans	62.1	148.6	154.2	-84.4	-112.9	0	0	0	123.9	V253 S254	V253-F1359 HydrophobicContact CB-CZ 4.09Å; V253-F1359 HydrophobicContact CG1-CE2 3.95Å; V253-F1359 HydrophobicContact CG1-CZ 3.71Å; V253-F1359 HydrophobicContact CG2-CE2 4.49Å; V253-F1359 HydrophobicContact CG2-CZ 4.1Å; S254-F1359 VanDerWaalsContact OG-CE1 3.3Å; S254-F1359 WeakPolarHBondContact OG-CE1 3.42Å
1360	N	26.4	Very low	27.3	Very low	107 Å²	107	129 Å²	129	57%	0.572	64%	0.635	S	S	*	*			trans	82.6	108.9	144.5	-79.3	-11.6	0	0	0	123.4	S254	S254-N1360 PolarHBondContact OG-OD1 3.35Å
1361	Y	26.3	Very low	27.3	Very low	158 Å²	158	131.2 Å²	131.2	62%	0.62	64%	0.638	S	S	*	*				65.7	111.1	125.3	-90.8	-107.1	0	0	0	122.5
1362	Y	27	Very low	27.5	Very low	150 Å²	150	131.9 Å²	131.9	59%	0.588	64%	0.642	S	S	*	*			trans	82.7	113.9	130.5	-90.6	-122.7	0	0	0	123.3
1363	Y	28.1	Very low	27.6	Very low	112 Å²	112	131.6 Å²	131.6	44%	0.439	64%	0.64	S	S	.	*			trans	83.7	124.5	131.1	-92.2	-115.2	0	0	0	124.2	Y931	Y931-Y1363 PolarHBondContact OH-OH 3.44Å
1364	H	29.3	Very low	27.6	Very low	150 Å²	150	132.8 Å²	132.8	69%	0.694	64%	0.642	S	S	*	*			trans	44.8	130.3	148	-72.6	-22.4	0	0	0	123.4
1365	S	27.4	Very low	27.5	Very low	70 Å²	70	132.6 Å²	132.6	49%	0.49	64%	0.639	S	S	.	*				-167.3	164.6	108	17	0	0	0	0	113.6	R1259	R1259-S1365 PolarHBondContact NE-OG 3.28Å; R1259-S1365 PolarHBondContact NH2-OG 3.04Å
1366	N	28.8	Very low	27.5	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	64%	0.642	S	S	*	*			trans	-106.8	168.6	-167.9	-88.4	-29.1	0	0	0	115.2
1367	N	28.8	Very low	27.4	Very low	116 Å²	116	135.1 Å²	135.1	62%	0.62	65%	0.648	S	S	*	*			trans	60.5	151.4	160.7	-59.8	-14.1	0	0	0	118.8	R1260	R1260-N1367 VanDerWaalsContact CD-O 3.28Å; R1260-N1367 WeakPolarHBondContact CD-O 3.31Å; R1260-N1367 VanDerWaalsContact CZ-C 3.41Å; R1260-N1367 VanDerWaalsContact CZ-CA 3.49Å; R1260-N1367 PolarHBondContact NE-O 3.08Å; R1260-N1367 VanDerWaalsContact NH2-N 3.12Å
1368	S	26.2	Very low	27.4	Very low	56 Å²	56	136.8 Å²	136.8	39%	0.392	65%	0.651	S	S	.	*			cis	-124.9	167.8	2.8	48	0	0	0	0	110.6	R1260	R1260-S1368 VanDerWaalsContact CD-O 3.25Å; R1260-S1368 WeakPolarHBondContact CD-O 3.24Å; R1260-S1368 PolarHBondContact NH1-O 3.32Å
1369	I	25.2	Very low	27.7	Very low	147 Å²	147	136.9 Å²	136.9	75%	0.754	65%	0.651	S	S	*	*				31.3	121.1	83.8	-49.9	173.7	0	0	0	115.6
1370	Q	26	Very low	27.9	Very low	141 Å²	141	138.6 Å²	138.6	66%	0.659	67%	0.665	S	S	*	*			trans	-146.1	123.8	151.3	-162.6	172.6	31.9	0	0	110.6
1371	F	23.8	Very low	28.2	Very low	194 Å²	194	138 Å²	138	85%	0.851	67%	0.667	S	S	*	*			trans	-88.1	150.9	162.6	-103.5	-95.1	0	0	0	108.9
1372	N	30	Very low	28.3	Very low	132 Å²	132	135 Å²	135	71%	0.706	67%	0.669	S	S	*	*			trans	-139.6	141.6	161.8	-118.6	-28.4	0	0	0	111.8
1373	H	29.4	Very low	28.4	Very low	174 Å²	174	134 Å²	134	81%	0.806	67%	0.674	S	S	*	*			trans	-41.7	150	175.1	-67.9	-75.8	0	0	0	114.3
1374	E	28.5	Very low	28.6	Very low	146 Å²	146	135.9 Å²	135.9	68%	0.682	69%	0.686	S	S	*	*				-158	144	69.7	-78.2	-151.5	125.7	0	0	117.1
1375	K	27.4	Very low	28.5	Very low	148 Å²	148	136.4 Å²	136.4	64%	0.643	69%	0.694	S	S	*	*			trans	68.6	135.4	143.6	-68.9	163.1	-174.7	151.3	0	121.6
1376	N	30.1	Very low	28.9	Very low	138 Å²	138	138.3 Å²	138.3	74%	0.738	70%	0.704	S	S	*	*			trans	78	134.8	159.7	-57.6	-20.7	0	0	0	118.5
1377	Q	27.4	Very low	28.9	Very low	151 Å²	151	139.4 Å²	139.4	71%	0.706	71%	0.709	S	S	*	*			cis	-165.1	143.9	-18.7	-125.8	178	24.1	0	0	111.9
1378	Y	28.2	Very low	28.9	Very low	195 Å²	195	143.9 Å²	143.9	77%	0.765	72%	0.723	S	S	*	*			trans	67.3	139.2	151.5	-83.1	-63	0	0	0	124.6
1379	I	31.4	Very low	28.8	Very low	149 Å²	149	145.7 Å²	145.7	76%	0.764	74%	0.735	S	S	*	*			trans	72	109.1	155.5	-61.3	157.8	0	0	0	115.3
1380	D	29.4	Very low	28.8	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	74%	0.735	S	S	*	*			cis	84.3	147.6	45.6	-152.4	49.9	0	0	0	112.2
1381	P	33.9	Very low	28.8	Very low	95 Å²	95	144.9 Å²	144.9	62%	0.617	74%	0.736	S	S	*	*				-133.3	-170.9	-73.9	41.9	-26.6	0	0	0	114.6
1382	S	28	Very low	28.8	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	73%	0.729	S	S	*	*			trans	93	146.7	147	82.7	0	0	0	0	122.4
1383	N	28.8	Very low	28.6	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	73%	0.728	S	S	*	*			trans	94.1	129.1	136.6	-78.9	-14.3	0	0	0	124.3
1384	H	32.3	Very low	28.6	Very low	150 Å²	150	141.8 Å²	141.8	69%	0.694	73%	0.726	S	S	*	*			trans	67.3	104.2	148.7	-56.4	-41.2	0	0	0	122.1
1385	L	27	Very low	28.6	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	72%	0.722	S	S	*	*				38.6	151.3	111.9	-80.6	123	0	0	0	121.8
1386	P	37.1	Very low	28.8	Very low	110 Å²	110	139.4 Å²	139.4	71%	0.714	73%	0.725	S	S	*	*			trans	-97.4	169.3	-156.3	40.1	-38	0	0	0	115.3
1387	I	27.4	Very low	28.8	Very low	155 Å²	155	140.3 Å²	140.3	80%	0.795	73%	0.725	S	S	*	*			trans	-152.2	149.7	160	-103.4	148.1	0	0	0	110.6
1388	K	29.6	Very low	29	Very low	210 Å²	210	139.5 Å²	139.5	91%	0.913	73%	0.725	S	S	*	*			trans	-87.6	121.7	166.8	-84.2	-175.6	174.6	-179.6	0	110.5
1389	S	24.7	Very low	29.1	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	72%	0.718	S	S	*	*			trans	-157.7	128.6	161	29.3	0	0	0	0	108.3
1390	N	25.2	Very low	29.3	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	71%	0.71	S	S	*	*			cis	91.5	126.6	49.8	-85.1	-5.6	0	0	0	113
1391	I	24.5	Very low	29.6	Very low	130 Å²	130	133.8 Å²	133.8	67%	0.667	70%	0.704	S	S	*	*			trans	82	108.2	130.2	-70.8	174.1	0	0	0	119.2
1392	L	24.3	Very low	29.6	Very low	135 Å²	135	134.5 Å²	134.5	71%	0.707	70%	0.703	S	S	*	*			trans	73	138.9	133.6	-89.7	53.6	0	0	0	122.5
1393	I	25.7	Very low	30	Very low	133 Å²	133	136.2 Å²	136.2	68%	0.682	70%	0.7	S	S	*	*			trans	73	132.8	139.9	-68.2	168.9	0	0	0	114.3
1394	E	29.6	Very low	30.2	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	70%	0.698	S	S	*	*			cis	-129.4	135.9	35.3	-70.7	-164.6	113.4	0	0	114
1395	N	28.2	Very low	30.2	Very low	111 Å²	111	134.7 Å²	134.7	59%	0.594	69%	0.693	S	S	*	*				60.6	110.3	96	-49.1	-39	0	0	0	114.7
1396	N	32.9	Very low	30.5	Very low	133 Å²	133	132.1 Å²	132.1	71%	0.711	68%	0.68	S	S	*	*				-163.8	132.2	79.2	-86.1	-46	0	0	0	110.2
1397	Q	29.5	Very low	30.3	Very low	158 Å²	158	132 Å²	132	74%	0.738	67%	0.673	S	S	*	*				62.4	135	89.6	-63	-169.9	4.8	0	0	113.9
1398	L	31.7	Very low	30.4	Very low	134 Å²	134	131.4 Å²	131.4	70%	0.702	67%	0.667	S	S	*	*			cis	-137.1	149.9	19.8	-87.7	94.8	0	0	0	113.1
1399	N	30.7	Very low	30.5	Very low	117 Å²	117	130.4 Å²	130.4	63%	0.626	66%	0.659	S	S	*	*			trans	54.9	145.5	130.8	-63.6	45.4	0	0	0	121.5
1400	D	34.8	Very low	31	Very low	108 Å²	108	132.3 Å²	132.3	58%	0.578	66%	0.66	S	S	*	*			cis	-154.2	155.8	3	-110.4	-19.9	0	0	0	112.3
1401	H	35	Very low	31.3	Very low	144 Å²	144	132.3 Å²	132.3	67%	0.667	66%	0.66	S	S	*	*			trans	42.9	145.6	142.1	-63.7	-52.6	0	0	0	120.8
1402	D	35.1	Very low	31.7	Very low	110 Å²	110	130.4 Å²	130.4	59%	0.588	66%	0.656	S	S	*	*			cis	-179.1	172.3	0.7	-105	-3.7	0	0	0	106.6
1403	H	35.9	Very low	31.9	Very low	131 Å²	131	127.7 Å²	127.7	61%	0.606	65%	0.649	S	S	*	*			cis	-152.2	135	-15	-126.9	-40.1	0	0	0	107.1
1404	E	32.9	Very low	32.1	Very low	137 Å²	137	127.3 Å²	127.3	64%	0.64	65%	0.648	S	S	*	*				64.3	147.7	125.3	-98.4	-175.6	-172.8	0	0	124.4
1405	N	32.8	Very low	32.2	Very low	109 Å²	109	127.7 Å²	127.7	58%	0.583	65%	0.65	S	S	*	*			trans	74.8	139.6	134.5	-73.2	-12	0	0	0	120.8
1406	N	32.3	Very low	32.3	Very low	108 Å²	108	129.6 Å²	129.6	58%	0.578	66%	0.659	S	S	*	*			cis	-163.2	166.4	-7.4	-134.1	-24.7	0	0	0	113.6
1407	N	32.6	Very low	32.2	Very low	109 Å²	109	127.6 Å²	127.6	58%	0.583	65%	0.653	S	S	*	*			trans	66.6	146.5	147.4	-65.2	-26.6	0	0	0	119
1408	Q	30.9	Very low	31.9	Very low	141 Å²	141	128.5 Å²	128.5	66%	0.659	66%	0.655	S	S	*	*			cis	-161.4	161.3	-8.3	-117.7	160.8	10	0	0	112.3
1409	Y	31.9	Very low	31.8	Very low	189 Å²	189	131.4 Å²	131.4	74%	0.741	66%	0.662	S	S	*	*			trans	86.3	118.1	144.6	-87.8	-150.9	0	0	0	122.4
1410	I	34.9	Very low	31.7	Very low	134 Å²	134	131.1 Å²	131.1	69%	0.687	67%	0.669	S	S	*	*			trans	82.9	74.9	137.5	-57.4	174.5	0	0	0	117.4
1411	D	30.3	Very low	31.3	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	68%	0.677	S	S	*	*				-50.9	142.5	118	-171.1	59.2	0	0	0	109.1
1412	P	34.6	Very low	30.8	Very low	90 Å²	90	132.6 Å²	132.6	58%	0.584	68%	0.68	S	S	*	*				-156.6	144.2	63.9	42.5	-20.1	0	0	0	120.9
1413	S	28.6	Very low	30.4	Very low	79 Å²	79	134.2 Å²	134.2	55%	0.552	69%	0.688	S	S	*	*				68.5	159.5	127.3	81.6	0	0	0	0	122.8
1414	N	28.1	Very low	30.1	Very low	124 Å²	124	134.4 Å²	134.4	66%	0.663	69%	0.692	S	S	*	*			trans	45.3	121.9	143.1	-56.7	-21.3	0	0	0	119.8
1415	H	32.3	Very low	29.8	Very low	174 Å²	174	135.3 Å²	135.3	81%	0.806	70%	0.697	S	S	*	*				-174.9	141.8	85.9	-101	-71.4	0	0	0	113.8
1416	L	30.2	Very low	29.8	Very low	152 Å²	152	136.6 Å²	136.6	80%	0.796	70%	0.704	S	S	*	*			trans	-70.4	-173.7	153.5	-52.8	97	0	0	0	108.8
1417	P	31	Very low	29.9	Very low	90 Å²	90	138 Å²	138	58%	0.584	71%	0.711	S	S	*	*			cis	-150.7	-161.7	12.3	25	6.2	0	0	0	115.6
1418	F	24.4	Very low	30	Very low	177 Å²	177	137.6 Å²	137.6	78%	0.776	71%	0.714	S	S	*	*			trans	70.8	142.1	156.6	-59.1	-45.7	0	0	0	118
1419	K	28.6	Very low	30.1	Very low	195 Å²	195	138.7 Å²	138.7	85%	0.848	72%	0.717	S	S	*	*			cis	70.5	92	47.8	-76.1	-168.7	173.7	-177.2	0	114.7
1420	S	27.7	Very low	30.1	Very low	112 Å²	112	135 Å²	135	78%	0.783	71%	0.711	S	S	*	*			trans	-161	147.5	153.6	-12.6	0	0	0	0	107.2
1421	N	27.6	Very low	30	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	71%	0.709	S	S	*	*			cis	71.2	93.7	41.7	-73	-1.8	0	0	0	115.4
1422	I	25.4	Very low	30.1	Very low	143 Å²	143	134 Å²	134	73%	0.733	70%	0.701	S	S	*	*				64.6	133	113.1	-66.3	165.5	0	0	0	119.4
1423	L	25.5	Very low	30	Very low	144 Å²	144	136.3 Å²	136.3	75%	0.754	70%	0.704	S	S	*	*			trans	85.2	137.5	158.4	-82.7	164	0	0	0	121.5
1424	I	29.9	Very low	30	Very low	135 Å²	135	138.2 Å²	138.2	69%	0.692	71%	0.705	S	S	*	*			trans	72.2	129.9	151.1	-65.6	159.1	0	0	0	117.1
1425	E	27.3	Very low	30	Very low	156 Å²	156	139.3 Å²	139.3	73%	0.729	70%	0.703	S	S	*	*			cis	-170.9	180	-19	-135.5	170.4	-159.2	0	0	110.1
1426	N	32.9	Very low	30	Very low	137 Å²	137	137 Å²	137	73%	0.733	70%	0.697	S	S	*	*			trans	75.9	75.8	162.9	-59	-48.6	0	0	0	120.8
1427	N	32.5	Very low	29.8	Very low	138 Å²	138	137.4 Å²	137.4	74%	0.738	70%	0.695	S	S	*	*				34.6	152.2	104.4	-109.6	1.7	0	0	0	120.3
1428	P	35.7	Very low	29.7	Very low	99 Å²	99	142.6 Å²	142.6	64%	0.643	70%	0.704	S	S	*	*			cis	-147.5	161.6	34.7	43.6	-24.2	0	0	0	121.1
1429	F	32.9	Very low	30.1	Very low	164 Å²	164	140.9 Å²	140.9	72%	0.719	70%	0.702	S	S	*	*			trans	65.9	110	155.3	-63.7	-50.2	0	0	0	118.2
1430	N	31	Very low	30.2	Very low	113 Å²	113	138.5 Å²	138.5	60%	0.604	70%	0.698	S	S	*	*				81.3	140.6	79.9	-78.3	35.1	0	0	0	112.7
1431	H	34	Very low	30.6	Very low	141 Å²	141	137.5 Å²	137.5	65%	0.653	69%	0.689	S	S	*	*			cis	-145.5	150.7	14.4	-106.9	-60.3	0	0	0	111.1
1432	D	32	Very low	30.7	Very low	111 Å²	111	135.6 Å²	135.6	59%	0.594	69%	0.687	S	S	*	*				38.1	147.7	122	-53.6	17.2	0	0	0	120.7
1433	H	32.4	Very low	31	Very low	139 Å²	139	135.3 Å²	135.3	64%	0.644	69%	0.686	S	S	*	*			cis	-162.1	142	-3.5	-116.3	-38.7	0	0	0	111.3
1434	E	29.6	Very low	31.2	Very low	120 Å²	120	135.4 Å²	135.4	56%	0.561	69%	0.688	S	S	*	*			trans	49.6	127.4	130.7	-75.9	-170.9	163.6	0	0	125.3
1435	K	28.1	Very low	31.4	Very low	146 Å²	146	136.6 Å²	136.6	64%	0.635	69%	0.694	S	S	*	*				85	148.1	122.8	-75.7	173.7	-171.8	152.3	0	122.4
1436	N	30.8	Very low	31.8	Very low	126 Å²	126	134 Å²	134	67%	0.674	69%	0.691	S	S	*	*			trans	67.9	110.2	154.5	-62	-5.9	0	0	0	116.6
1437	Q	26.9	Very low	31.6	Very low	160 Å²	160	135.2 Å²	135.2	75%	0.748	69%	0.69	S	S	*	*				83.5	141.2	69.7	-81.1	-172	-14.7	0	0	113.8
1438	Y	29.2	Very low	31.5	Very low	199 Å²	199	133 Å²	133	78%	0.78	68%	0.675	S	S	*	*			trans	76.9	123.8	170	-73.1	-79.2	0	0	0	119.9
1439	I	32.2	Very low	31.1	Very low	142 Å²	142	132.6 Å²	132.6	73%	0.728	68%	0.675	S	S	*	*			trans	76.9	99.2	141.6	-60.9	162.2	0	0	0	118.4
1440	D	30.7	Very low	31	Very low	144 Å²	144	131.9 Å²	131.9	77%	0.77	68%	0.677	S	S	*	*				35.4	150.2	104.4	-142.2	55.2	0	0	0	120
1441	P	36.1	Very low	30.9	Very low	91 Å²	91	132.9 Å²	132.9	59%	0.591	68%	0.681	S	S	*	*			cis	-129.3	171.4	-43	36.7	-23.4	0	0	0	114.3
1442	S	29.6	Very low	30.7	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	68%	0.682	S	S	*	*			trans	77.9	148.8	150.3	80.6	0	0	0	0	122.1
1443	N	30.8	Very low	30.8	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	69%	0.689	S	S	*	*			trans	72.4	104.4	153.2	-66.3	-23.9	0	0	0	122.6
1444	N	31.1	Very low	30.7	Very low	147 Å²	147	134 Å²	134	79%	0.786	69%	0.69	S	S	*	*				82.1	159.1	127.1	-80.5	-19.9	0	0	0	123
1445	I	32.9	Very low	30.9	Very low	160 Å²	160	133.1 Å²	133.1	82%	0.821	69%	0.69	S	S	*	*			trans	88.3	143.4	160.4	-78.3	154.7	0	0	0	117.2
1446	P	35.7	Very low	31.1	Very low	101 Å²	101	136.5 Å²	136.5	66%	0.656	70%	0.698	S	S	*	*			trans	-127.2	-127.4	-139.6	43.5	-26.7	0	0	0	114.8
1447	F	30.4	Very low	31.2	Very low	162 Å²	162	136.5 Å²	136.5	71%	0.711	70%	0.698	S	S	*	*			trans	82.3	163.5	-176.3	-62.7	-93.8	0	0	0	117.2
1448	Q	29.9	Very low	31.4	Very low	92 Å²	92	134.2 Å²	134.2	43%	0.43	69%	0.691	S	S	.	*				-170.1	149.3	-54.1	-159.5	179.4	-22.8	0	0	110.6
1449	S	27.2	Very low	31.7	Very low	91 Å²	91	131.2 Å²	131.2	64%	0.636	68%	0.684	S	S	*	*			trans	72.5	170.3	152.6	76.9	0	0	0	0	121.1
1450	I	30.8	Very low	31.9	Very low	149 Å²	149	129.3 Å²	129.3	76%	0.764	68%	0.675	S	S	*	*			trans	75.5	131	160.8	-72	161.3	0	0	0	116.1
1451	L	28.3	Very low	32.2	Very low	133 Å²	133	130.9 Å²	130.9	70%	0.696	67%	0.67	S	S	*	*			cis	-174.2	147.6	-13.3	-156.3	73.8	0	0	0	110.6
1452	I	30.3	Very low	32.2	Very low	131 Å²	131	131.2 Å²	131.2	67%	0.672	67%	0.666	S	S	*	*			trans	58.9	158.5	146.9	-84.1	173.5	0	0	0	118.2
1453	E	33.2	Very low	32.6	Very low	157 Å²	157	134 Å²	134	73%	0.734	67%	0.668	S	S	*	*			cis	-139.4	138.8	7.1	-142.9	135.5	-133.2	0	0	107.2
1454	N	31.6	Very low	32.9	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	66%	0.663	S	S	*	*			cis	96.5	150.7	44	-152.7	6.4	0	0	0	114.1
1455	N	33.4	Very low	33.3	Very low	102 Å²	102	131.6 Å²	131.6	55%	0.545	66%	0.655	S	S	.	*			trans	80.1	117.1	167.9	-59.1	-42.1	0	0	0	118.7
1456	R	31.4	Very low	33.4	Very low	216 Å²	216	129 Å²	129	82%	0.815	65%	0.647	S	S	*	*				95.7	151.5	59.3	-82.9	-178.7	177.9	-177.9	-2.8	111.3
1457	L	33.2	Very low	33.4	Very low	126 Å²	126	131.4 Å²	131.4	66%	0.66	65%	0.647	S	S	*	*			cis	-160.4	152.2	7	-154.5	71.9	0	0	0	111.8
1458	N	32.1	Very low	33.6	Very low	113 Å²	113	128.6 Å²	128.6	60%	0.604	64%	0.636	S	S	*	*			trans	57.6	169.3	144.5	-81.2	18.4	0	0	0	120.9
1459	H	35.3	Very low	33.8	Very low	136 Å²	136	133 Å²	133	63%	0.63	65%	0.65	S	S	*	*			cis	-151.7	151.4	8.7	-121.6	-50.9	0	0	0	110.4
1460	D	35.9	Very low	34.1	Very low	101 Å²	101	133.9 Å²	133.9	54%	0.54	65%	0.652	S	S	.	*			trans	54.7	156.9	139.4	-67.6	10.8	0	0	0	122
1461	R	36	Very low	34.2	Very low	178 Å²	178	132.2 Å²	132.2	67%	0.672	65%	0.649	S	S	*	*			cis	-174.5	172.9	-22.6	-107.4	-178.8	-53.1	95.5	7	105.4
1462	D	36	Very low	34.4	Very low	97 Å²	97	132.4 Å²	132.4	52%	0.519	65%	0.65	S	S	.	*			cis	-161.4	169.7	8.6	-110.3	-31.3	0	0	0	108.3
1463	H	38.2	Very low	34.7	Very low	160 Å²	160	131.5 Å²	131.5	74%	0.741	65%	0.653	S	S	*	*			trans	66.4	149.1	153.5	-71.7	-52.8	0	0	0	120.8
1464	D	38.7	Very low	34.6	Very low	116 Å²	116	129.6 Å²	129.6	62%	0.62	65%	0.647	S	S	*	*			cis	-169.4	167.4	-26.7	-141.3	-25.3	0	0	0	114.3
1465	N	37.7	Very low	34.7	Very low	115 Å²	115	130.9 Å²	130.9	62%	0.615	65%	0.654	S	S	*	*			trans	70.7	115.6	144.4	-78.1	-51.7	0	0	0	124.2
1466	T	36.3	Very low	34.6	Very low	106 Å²	106	132.5 Å²	132.5	65%	0.65	66%	0.658	S	S	*	*				75.5	150.7	129.5	64.9	0	0	0	0	120.2
1467	K	34.5	Very low	34.6	Very low	151 Å²	151	130.9 Å²	130.9	66%	0.657	66%	0.657	S	S	*	*			cis	-173.2	165.5	-3.5	-109.7	173.7	-174.9	-73.4	0	108.2
1468	E	34.7	Very low	34.4	Very low	104 Å²	104	131.8 Å²	131.8	49%	0.486	66%	0.658	S	S	.	*			cis	-169.8	172.3	-14.5	-145.3	161	-156.1	0	0	110.7
1469	Y	35.3	Very low	34.3	Very low	183 Å²	183	135.5 Å²	135.5	72%	0.718	67%	0.665	S	S	*	*			trans	66.9	143.7	158.8	-58.9	-40.6	0	0	0	119.4
1470	T	32.8	Very low	34	Very low	110 Å²	110	139.9 Å²	139.9	68%	0.675	68%	0.676	S	S	*	*			cis	-157.3	123.7	-3	20.5	0	0	0	0	106.9
1471	T	32.5	Very low	33.5	Very low	115 Å²	115	141.4 Å²	141.4	71%	0.706	68%	0.683	S	S	*	*				52.5	143.5	86.3	68.1	0	0	0	0	115.5
1472	L	32.4	Very low	33.2	Very low	136 Å²	136	138.9 Å²	138.9	71%	0.712	68%	0.682	S	S	*	*			cis	179.7	-169.4	0.2	-105.8	173.6	0	0	0	106.2	L1474	L1472-L1474 HydrophobicContact CD2-CD1 4.22Å
1473	P	37.3	Very low	32.8	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	69%	0.69	S	S	*	*			cis	-131.9	-176.9	-22.7	33.8	-12.8	0	0	0	115.8
1474	L	31	Very low	32.3	Very low	117 Å²	117	139.2 Å²	139.2	61%	0.613	68%	0.682	S	S	*	*			trans	-59.5	164	174.7	-55.7	66.7	0	0	0	117.4	L1472 E1476	L1472-L1474 HydrophobicContact CD2-CD1 4.22Å; L1474-E1476 HydrophobicContact CD2-CG 4.22Å
1475	N	33.1	Very low	31.8	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	69%	0.69	S	S	*	*				-155.3	110	118.9	-89.5	-33.3	0	0	0	107.9
1476	E	32.3	Very low	31.3	Very low	137 Å²	137	142.4 Å²	142.4	64%	0.64	69%	0.694	S	S	*	*				69.8	96.5	74.7	-73.4	-151.2	172.1	0	0	116.9	L1474	L1474-E1476 HydrophobicContact CD2-CG 4.22Å
1477	K	30.7	Very low	31	Very low	182 Å²	182	147.9 Å²	147.9	79%	0.791	70%	0.704	S	S	*	*				-172.8	109.9	121	-98	157.3	-174.5	177	0	109.6
1478	Q	30.4	Very low	30.8	Very low	145 Å²	145	146.2 Å²	146.2	68%	0.678	71%	0.707	S	S	*	*				68.5	97.3	94.4	-72.6	173	-3.7	0	0	112.2
1479	Y	28.7	Very low	30.3	Very low	190 Å²	190	148.9 Å²	148.9	75%	0.745	72%	0.724	S	S	*	*				69.8	133.2	84	-70.6	-62	0	0	0	111.2
1480	W	29.1	Very low	30	Very low	229 Å²	229	145.9 Å²	145.9	87%	0.867	73%	0.727	S	S	*	*			cis	-135.6	120.4	42.6	-69	77.9	0	0	0	115.6	L1482	W1480-L1482 HydrophobicContact CE3-CD1 4.38Å; W1480-L1482 HydrophobicContact CZ3-CD1 4.24Å
1481	I	25.9	Very low	29.9	Very low	133 Å²	133	147.7 Å²	147.7	68%	0.682	73%	0.732	S	S	*	*			trans	-81	155.2	133.9	-68.3	168.5	0	0	0	106.8
1482	L	29.3	Very low	29.6	Very low	125 Å²	125	149 Å²	149	65%	0.654	73%	0.73	S	S	*	*			trans	147	146.1	145.4	-78.6	167.7	0	0	0	109.1	W1480	W1480-L1482 HydrophobicContact CE3-CD1 4.38Å; W1480-L1482 HydrophobicContact CZ3-CD1 4.24Å
1483	K	27.5	Very low	29.5	Very low	157 Å²	157	152.2 Å²	152.2	68%	0.683	73%	0.734	S	S	*	*			cis	175.4	149.9	-31.5	-124.8	-163.4	-175.9	-174.8	0	105.6
1484	N	28.1	Very low	29.3	Very low	107 Å²	107	155.5 Å²	155.5	57%	0.572	74%	0.74	S	S	*	*			trans	64.6	157.9	165.1	-59.5	22.7	0	0	0	113.2
1485	D	28.5	Very low	29.3	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	74%	0.743	S	S	*	*			cis	-102.5	129.2	17.1	-58.1	-44.3	0	0	0	112.1
1486	E	28	Very low	29.3	Very low	149 Å²	149	156.4 Å²	156.4	70%	0.696	73%	0.734	S	S	*	*				53.7	96.5	88	-68.4	-164.8	-176.6	0	0	115.1
1487	Y	28.7	Very low	29.5	Very low	221 Å²	221	155.2 Å²	155.2	87%	0.867	73%	0.731	S	S	*	*			trans	-154.1	102.1	145.4	-97.1	-63.9	0	0	0	113
1488	T	30.3	Very low	29.7	Very low	117 Å²	117	152.8 Å²	152.8	72%	0.718	73%	0.726	S	S	*	*			trans	33.9	126.9	139.5	59.1	0	0	0	0	122
1489	L	25.7	Very low	29.9	Very low	160 Å²	160	148.5 Å²	148.5	84%	0.838	71%	0.712	S	S	*	*			trans	-52.6	148.7	150.5	-82.8	71.8	0	0	0	110.9
1490	P	27.9	Very low	30.2	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	71%	0.708	S	S	*	*				-146.3	165.4	99.3	38.1	-22.7	0	0	0	116.3
1491	N	29.9	Very low	30.7	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	69%	0.692	S	S	*	*			trans	-56.3	130.9	174.9	-60.7	-24	0	0	0	113.5
1492	Q	28.1	Very low	31.2	Very low	143 Å²	143	140.6 Å²	140.6	67%	0.668	69%	0.689	S	S	*	*			trans	-165.6	38	149.2	-121.9	-179.9	27.6	0	0	116.9
1493	Y	29.9	Very low	31.5	Very low	202 Å²	202	139.6 Å²	139.6	79%	0.792	68%	0.684	S	S	*	*	S	Bend	trans	-84.7	-16.4	176.3	-112.4	-97.5	0	0	0	115.2	Q1495	Y1493-Q1495 PolarHBondContact O-N 3.41Å
1494	E	32.3	Very low	32.1	Very low	183 Å²	183	135.8 Å²	135.8	86%	0.855	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	1.5	-172.1	-145.4	168.5	-157.7	0	0	115
1495	Q	31.5	Very low	32.7	Very low	146 Å²	146	137.1 Å²	137.1	68%	0.682	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-13.1	174.3	-73.3	-168.6	-14.8	0	0	114.7	Y1493 S1499	Y1493-Q1495 PolarHBondContact O-N 3.41Å; Q1495-S1499 PolarHBondContact O-N 3.3Å
1496	K	33.1	Very low	33.1	Very low	143 Å²	143	136.1 Å²	136.1	62%	0.622	66%	0.664	S	S	*	*	H	α-helix	trans	-81.5	-30.7	179.9	-86.7	-179.6	176.8	172.4	0	114.2	S1499 F1500	K1496-S1499 WeakPolarHBondContact CA-OG 3.42Å; K1496-S1499 PolarHBondContact O-N 3.08Å; K1496-S1499 PolarHBondContact O-OG 2.87Å; K1496-F1500 WeakPolarHBondContact O-CB 3.5Å; K1496-F1500 PolarHBondContact O-N 3.32Å
1497	I	36.6	Very low	33.6	Very low	111 Å²	111	133.6 Å²	133.6	57%	0.569	65%	0.652	S	S	*	*	H	α-helix	trans	-65	-44	177.1	-65.4	175.8	0	0	0	110.8	S1499 F1500 I1501	I1497-S1499 PolarHBondContact O-N 2.88Å; I1497-F1500 PolarHBondContact O-N 3.44Å; I1497-I1501 HydrophobicContact CG2-CD1 3.91Å; I1497-I1501 WeakPolarHBondContact O-CG1 3.43Å; I1497-I1501 PolarHBondContact O-N 3.12Å; I1497-I1501 VanDerWaalsContact O-N 3.08Å
1498	L	34.7	Very low	34.1	Very low	131 Å²	131	130.8 Å²	130.8	69%	0.686	64%	0.644	S	S	*	*	H	α-helix	trans	-65.3	-36.3	174.2	-76.4	165.5	0	0	0	112.9	H1502	L1498-H1502 WeakPolarHBondContact O-CB 3.46Å; L1498-H1502 PolarHBondContact O-N 3.49Å; L1498-H1502 VanDerWaalsContact O-N 3.13Å
1499	S	33.3	Very low	34.6	Very low	56 Å²	56	130.2 Å²	130.2	39%	0.392	64%	0.636	S	S	.	*	H	α-helix	trans	-70.9	-31.5	175.3	76	0	0	0	0	113.9	Q1495 K1496 I1497 N1503	Q1495-S1499 PolarHBondContact O-N 3.3Å; K1496-S1499 WeakPolarHBondContact CA-OG 3.42Å; K1496-S1499 PolarHBondContact O-N 3.08Å; K1496-S1499 PolarHBondContact O-OG 2.87Å; I1497-S1499 PolarHBondContact O-N 2.88Å; S1499-N1503 PolarHBondContact O-N 3.12Å
1500	F	35.3	Very low	35.1	Very low	149 Å²	149	125.3 Å²	125.3	65%	0.654	62%	0.615	S	S	*	*	H	α-helix	trans	-77.4	-34.1	-179.7	-156.5	-105	0	0	0	111.5	K1496 I1497 N1504	K1496-F1500 WeakPolarHBondContact O-CB 3.5Å; K1496-F1500 PolarHBondContact O-N 3.32Å; I1497-F1500 PolarHBondContact O-N 3.44Å; F1500-N1504 WeakPolarHBondContact CD1-ND2 2.99Å; F1500-N1504 WeakPolarHBondContact CE1-ND2 3.32Å; F1500-N1504 WeakPolarHBondContact O-CB 3.27Å; F1500-N1504 PolarHBondContact O-N 2.69Å; F1500-N1504 PolarHBondContact O-ND2 3.24Å
1501	I	39.7	Very low	35.6	Very low	106 Å²	106	127.5 Å²	127.5	54%	0.544	61%	0.608	S	S	.	*	H	α-helix	trans	-70.9	-40	173.7	-68.5	170.4	0	0	0	111	I1497	I1497-I1501 HydrophobicContact CG2-CD1 3.91Å; I1497-I1501 WeakPolarHBondContact O-CG1 3.43Å; I1497-I1501 PolarHBondContact O-N 3.12Å; I1497-I1501 VanDerWaalsContact O-N 3.08Å
1502	H	36.2	Very low	36	Very low	131 Å²	131	128.2 Å²	128.2	61%	0.606	61%	0.607	S	S	*	*	H	α-helix	trans	-71.8	-39.2	-178.1	-146.9	72.9	0	0	0	113.5	L1498	L1498-H1502 WeakPolarHBondContact O-CB 3.46Å; L1498-H1502 PolarHBondContact O-N 3.49Å; L1498-H1502 VanDerWaalsContact O-N 3.13Å
1503	N	35.8	Very low	36.5	Very low	104 Å²	104	129.1 Å²	129.1	56%	0.556	61%	0.611	S	S	*	*	H	α-helix	trans	-79.5	-37.8	-178.1	-76.9	-30.3	0	0	0	113.9	S1499 H1505 Q1506 E1507	S1499-N1503 PolarHBondContact O-N 3.12Å; N1503-H1505 PolarHBondContact O-N 3.39Å; N1503-Q1506 PolarHBondContact O-N 2.99Å; N1503-Q1506 VanDerWaalsContact O-N 3.16Å; N1503-E1507 PolarHBondContact O-N 3.12Å
1504	N	40.4	Very low	36.8	Very low	76 Å²	76	127.8 Å²	127.8	41%	0.406	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-26	177.9	-80.9	-71.8	0	0	0	112.9	F1500 K1508	F1500-N1504 WeakPolarHBondContact CD1-ND2 2.99Å; F1500-N1504 WeakPolarHBondContact CE1-ND2 3.32Å; F1500-N1504 WeakPolarHBondContact O-CB 3.27Å; F1500-N1504 PolarHBondContact O-N 2.69Å; F1500-N1504 PolarHBondContact O-ND2 3.24Å; N1504-K1508 PolarHBondContact O-N 3.4Å
1505	H	41	Very low	36.9	Very low	135 Å²	135	127.4 Å²	127.4	63%	0.625	61%	0.61	S	S	*	*	H	α-helix	trans	-76.4	-26.5	174	-113.7	-77.2	0	0	0	113.8	N1503	N1503-H1505 PolarHBondContact O-N 3.39Å
1506	Q	36.4	Very low	36.9	Very low	128 Å²	128	128.8 Å²	128.8	60%	0.598	62%	0.617	S	S	*	*	H	α-helix	trans	-84.2	-35.9	173.2	-67.9	-153.7	5.9	0	0	113.2	N1503 K1508 L1509 S1510	N1503-Q1506 PolarHBondContact O-N 2.99Å; N1503-Q1506 VanDerWaalsContact O-N 3.16Å; Q1506-K1508 VanDerWaalsContact C-N 3.35Å; Q1506-K1508 PolarHBondContact O-N 2.9Å; Q1506-L1509 PolarHBondContact O-N 2.91Å; Q1506-S1510 WeakPolarHBondContact O-CB 3.42Å; Q1506-S1510 PolarHBondContact O-N 2.72Å; Q1506-S1510 PolarHBondContact O-OG 3.45Å
1507	E	37.9	Very low	36.8	Very low	95 Å²	95	130.4 Å²	130.4	44%	0.444	63%	0.626	S	S	.	*	H	α-helix	trans	-67.3	-31.2	174.4	-79.6	-132.5	81.3	0	0	113.3	N1503 R1511	N1503-E1507 PolarHBondContact O-N 3.12Å; E1507-R1511 VanDerWaalsContact O-CB 3.26Å; E1507-R1511 WeakPolarHBondContact O-CB 3.48Å; E1507-R1511 WeakPolarHBondContact O-CG 3.28Å; E1507-R1511 PolarHBondContact O-N 2.86Å; E1507-R1511 IonicContact OE1-CZ 3.04Å; E1507-R1511 IonicContact OE1-NE 3.89Å; E1507-R1511 PolarHBondContact OE1-NE 2.86Å; E1507-R1511 IonicContact OE1-NH2 3.18Å; E1507-R1511 PolarHBondContact OE1-NH2 2.89Å; E1507-R1511 IonicContact OE2-NH2 2.81Å; E1507-R1511 PolarHBondContact OE2-NH2 2.6Å
1508	K	41	Very low	36.6	Very low	163 Å²	163	134.6 Å²	134.6	71%	0.709	64%	0.643	S	S	*	*	H	α-helix	trans	-71.7	-31.5	172.9	-89.4	-178.9	173.4	175.5	0	113.7	N1504 Q1506	N1504-K1508 PolarHBondContact O-N 3.4Å; Q1506-K1508 VanDerWaalsContact C-N 3.35Å; Q1506-K1508 PolarHBondContact O-N 2.9Å
1509	L	39.9	Very low	36.5	Very low	105 Å²	105	136.9 Å²	136.9	55%	0.55	65%	0.651	S	S	.	*	H	α-helix	trans	-80	-42.3	175.8	-102.1	66	0	0	0	112.7	Q1506 Q1512 Q1513	Q1506-L1509 PolarHBondContact O-N 2.91Å; L1509-Q1512 PolarHBondContact O-N 2.95Å; L1509-Q1513 PolarHBondContact O-N 2.78Å
1510	S	35.8	Very low	36.5	Very low	56 Å²	56	142 Å²	142	39%	0.392	67%	0.668	S	S	.	*	H	α-helix	trans	-69.8	-37	-178.9	62.9	0	0	0	0	112.7	Q1506 Q1512 Q1513 Q1514	Q1506-S1510 WeakPolarHBondContact O-CB 3.42Å; Q1506-S1510 PolarHBondContact O-N 2.72Å; Q1506-S1510 PolarHBondContact O-OG 3.45Å; S1510-Q1512 PolarHBondContact O-N 2.86Å; S1510-Q1513 PolarHBondContact O-N 2.95Å; S1510-Q1514 PolarHBondContact O-N 2.81Å
1511	R	37.9	Very low	36.5	Very low	166 Å²	166	140.5 Å²	140.5	63%	0.626	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-10.4	174.5	-65.3	178.6	-175.7	-146.6	9	113.8	E1507	E1507-R1511 VanDerWaalsContact O-CB 3.26Å; E1507-R1511 WeakPolarHBondContact O-CB 3.48Å; E1507-R1511 WeakPolarHBondContact O-CG 3.28Å; E1507-R1511 PolarHBondContact O-N 2.86Å; E1507-R1511 IonicContact OE1-CZ 3.04Å; E1507-R1511 IonicContact OE1-NE 3.89Å; E1507-R1511 PolarHBondContact OE1-NE 2.86Å; E1507-R1511 IonicContact OE1-NH2 3.18Å; E1507-R1511 PolarHBondContact OE1-NH2 2.89Å; E1507-R1511 IonicContact OE2-NH2 2.81Å; E1507-R1511 PolarHBondContact OE2-NH2 2.6Å
1512	Q	39.4	Very low	36.1	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-4.7	167.5	-74.9	-168.8	-29.4	0	0	114.1	L1509 S1510	L1509-Q1512 PolarHBondContact O-N 2.95Å; S1510-Q1512 PolarHBondContact O-N 2.86Å
1513	Q	38.3	Very low	35.9	Very low	162 Å²	162	137.8 Å²	137.8	76%	0.757	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	1.5	179.7	-70.1	-173.2	-14.2	0	0	114.8	L1509 S1510	L1509-Q1513 PolarHBondContact O-N 2.78Å; S1510-Q1513 PolarHBondContact O-N 2.95Å
1514	Q	35.8	Very low	35.7	Very low	174 Å²	174	139 Å²	139	81%	0.813	66%	0.66	S	S	*	*	S	Bend	trans	-118.8	13.5	176	-70.5	-167.9	-12	0	0	115.3	S1510	S1510-Q1514 PolarHBondContact O-N 2.81Å
1515	Q	35.3	Very low	35.3	Very low	176 Å²	176	141 Å²	141	82%	0.822	67%	0.667	S	S	*	*	S	Bend	trans	-115.1	28	173.7	-66	-167.5	-12	0	0	113.6
1516	Q	30.7	Very low	34.7	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	67%	0.665	S	S	*	*	S	Bend	trans	-131.1	45.9	172.3	-69.7	-165.4	-2.1	0	0	113.3
1517	Q	31.6	Very low	34.4	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	67%	0.668	S	S	*	*	S	Bend	trans	-148.8	138.6	163.9	-134.9	104	86.7	0	0	112.3
1518	Q	33.1	Very low	34.1	Very low	199 Å²	199	141.9 Å²	141.9	93%	0.93	68%	0.683	S	S	*	*			trans	71.3	99.1	172.7	-54.2	-170.3	8.5	0	0	116.8
1519	Q	31.4	Very low	33.4	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	68%	0.679	S	S	*	*			trans	-136.1	117.4	173.7	164.2	-168.9	0.2	0	0	106.2
1520	H	34	Very low	32.8	Very low	165 Å²	165	142.7 Å²	142.7	76%	0.764	69%	0.686	S	S	*	*			trans	-177.2	152.5	152.7	-116.1	-85.1	0	0	0	113.3
1521	D	34.4	Very low	32.4	Very low	116 Å²	116	145.1 Å²	145.1	62%	0.62	70%	0.702	S	S	*	*			trans	70.7	142.5	151.6	-66.8	-13.7	0	0	0	123
1522	N	32.4	Very low	31.8	Very low	103 Å²	103	142.1 Å²	142.1	55%	0.551	70%	0.703	S	S	*	*			cis	-162.7	145	-33.8	-138.4	-49.1	0	0	0	113.4	Q1636 S1637	N1522-Q1636 CarbonylContact C-O 3.3Å; N1522-S1637 PolarHBondContact N-O 3.43Å; N1522-S1637 VanDerWaalsContact N-O 3.08Å; N1522-S1637 VanDerWaalsContact O-O 3.12Å
1523	D	32.1	Very low	31.2	Very low	78 Å²	78	141.1 Å²	141.1	42%	0.417	70%	0.701	S	S	.	*			trans	-72.3	126.4	-168.6	-65.4	-68.4	0	0	0	116.9	N1634 N1635 Q1636	D1523-N1634 WeakPolarHBondContact CB-O 3.4Å; D1523-N1635 CarbonylContact C-O 3.6Å; D1523-N1635 VanDerWaalsContact C-O 3.3Å; D1523-N1635 WeakPolarHBondContact CA-O 3.3Å; D1523-N1635 VanDerWaalsContact CB-C 3.41Å; D1523-N1635 WeakPolarHBondContact CB-O 3.37Å; D1523-N1635 VanDerWaalsContact OD1-CA 3.24Å; D1523-N1635 WeakPolarHBondContact OD1-CA 3.34Å; D1523-N1635 PolarHBondContact OD1-N 2.82Å; D1523-Q1636 CarbonylContact C-O 3.27Å; D1523-Q1636 WeakPolarHBondContact CA-O 3.45Å; D1523-Q1636 PolarHBondContact OD1-N 3.22Å
1524	Q	30.9	Very low	30.6	Very low	130 Å²	130	138.5 Å²	138.5	61%	0.607	70%	0.701	S	S	*	*			trans	-167.1	142.4	148.6	-116.1	174.4	85.1	0	0	120.8	N1635 Q1636	Q1524-N1635 CarbonylContact C-O 3.55Å; Q1524-N1635 VanDerWaalsContact CA-O 3.23Å; Q1524-N1635 WeakPolarHBondContact CA-O 3.24Å; Q1524-N1635 PolarHBondContact N-O 2.82Å; Q1524-Q1636 PolarHBondContact N-O 3.45Å; Q1524-Q1636 PolarHBondContact O-OE1 2.87Å
1525	Q	31.5	Very low	30.2	Very low	116 Å²	116	137.6 Å²	137.6	54%	0.542	70%	0.699	S	S	.	*			trans	74.3	145.7	150.7	-66.1	-174.7	48.6	0	0	122	N1635 Q1636	Q1525-N1635 PolarHBondContact N-ND2 3.45Å; Q1525-Q1636 VanDerWaalsContact O-CD 3.23Å; Q1525-Q1636 PolarHBondContact O-NE2 3.25Å; Q1525-Q1636 PolarHBondContact O-OE1 3.02Å
1526	N	30.2	Very low	29.9	Very low	110 Å²	110	136.7 Å²	136.7	59%	0.588	70%	0.699	S	S	*	*			cis	-169.9	165	-31.4	-132.1	-19.3	0	0	0	109.6
1527	L	29.1	Very low	29.8	Very low	124 Å²	124	133.3 Å²	133.3	65%	0.649	69%	0.691	S	S	*	*			trans	14.1	116	148.2	-64.8	161	0	0	0	120.1
1528	N	32.1	Very low	29.5	Very low	143 Å²	143	129.8 Å²	129.8	77%	0.765	69%	0.686	S	S	*	*				-165.2	137.5	111.4	-91.5	-33.9	0	0	0	108.5
1529	M	26.6	Very low	29.2	Very low	126 Å²	126	125.8 Å²	125.8	62%	0.621	68%	0.675	S	S	*	*				59.6	137.3	60.7	-62.8	-143.5	-150.3	0	0	113
1530	K	26.4	Very low	29	Very low	160 Å²	160	124.5 Å²	124.5	70%	0.696	67%	0.672	S	S	*	*			cis	-165.4	141	-7.3	-123.2	179.7	-173.8	165.6	0	108.8
1531	S	27.2	Very low	28.6	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	67%	0.667	S	S	*	*			trans	53.4	-165.7	159.9	55.8	0	0	0	0	112.4
1532	T	25.9	Very low	28.1	Very low	104 Å²	104	125.9 Å²	125.9	64%	0.638	68%	0.676	S	S	*	*			cis	-153	121.9	16.9	-42.3	0	0	0	0	111.7
1533	I	27.1	Very low	27.8	Very low	141 Å²	141	127.7 Å²	127.7	72%	0.723	69%	0.685	S	S	*	*			trans	35.2	106.8	142.6	-47.7	169.2	0	0	0	117.3
1534	S	25.8	Very low	27.4	Very low	108 Å²	108	129 Å²	129	76%	0.755	70%	0.696	S	S	*	*				-176.4	132.8	103.9	27.8	0	0	0	0	108.4
1535	M	26.3	Very low	27.1	Very low	155 Å²	155	129.8 Å²	129.8	76%	0.764	70%	0.704	S	S	*	*				59	80.3	51.5	-68.2	-171.3	165.6	0	0	113.2
1536	N	30.1	Very low	26.8	Very low	157 Å²	157	130 Å²	130	84%	0.84	71%	0.714	S	S	*	*				-147.7	120.9	120.3	-91.2	-20.2	0	0	0	106.3
1537	T	26.9	Very low	26.5	Very low	104 Å²	104	130.1 Å²	130.1	64%	0.638	72%	0.719	S	S	*	*			cis	45.3	113.4	31	63.4	0	0	0	0	111.5
1538	S	26.3	Very low	26.3	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	72%	0.724	S	S	*	*			cis	-164.4	165.2	38.8	54.4	0	0	0	0	112.8
1539	T	25.9	Very low	26	Very low	114 Å²	114	129.8 Å²	129.8	70%	0.699	73%	0.725	S	S	*	*			trans	5.8	136.8	144.7	57.6	0	0	0	0	119.7
1540	I	28.1	Very low	26	Very low	152 Å²	152	127.8 Å²	127.8	78%	0.779	72%	0.723	S	S	*	*			trans	158.6	128.7	143.3	-85.5	152.2	0	0	0	105
1541	D	24.9	Very low	26	Very low	124 Å²	124	127.3 Å²	127.3	66%	0.663	73%	0.728	S	S	*	*			cis	-153	158.1	-21.8	-98.6	-35.1	0	0	0	105.1
1542	F	23.9	Very low	26	Very low	186 Å²	186	126.4 Å²	126.4	82%	0.816	72%	0.721	S	S	*	*				46.6	146.8	86	-106.3	-79.2	0	0	0	116.1
1543	I	26.3	Very low	26.2	Very low	141 Å²	141	127.8 Å²	127.8	72%	0.723	73%	0.725	S	S	*	*			trans	71	86.7	174.1	-58.8	161.7	0	0	0	112.2
1544	T	24.7	Very low	26.5	Very low	106 Å²	106	127.1 Å²	127.1	65%	0.65	72%	0.723	S	S	*	*				58.9	134.5	79.7	71.9	0	0	0	0	115.1
1545	N	23.8	Very low	26.9	Very low	147 Å²	147	127.7 Å²	127.7	79%	0.786	72%	0.718	S	S	*	*			trans	65.5	156.5	169.8	-52.6	-26.7	0	0	0	114.3
1546	T	24.6	Very low	27	Very low	121 Å²	121	126.1 Å²	126.1	74%	0.742	71%	0.712	S	S	*	*			cis	-144.8	177.4	4.9	-22.4	0	0	0	0	109.7
1547	T	24.2	Very low	27	Very low	112 Å²	112	124.5 Å²	124.5	69%	0.687	70%	0.702	S	S	*	*			trans	-28.9	149.3	150.1	55.4	0	0	0	0	115.1
1548	I	25.5	Very low	27	Very low	148 Å²	148	125.2 Å²	125.2	76%	0.759	71%	0.707	S	S	*	*				-173	107.5	109.6	-92.5	152.9	0	0	0	110.7
1549	S	24.9	Very low	26.9	Very low	112 Å²	112	128 Å²	128	78%	0.783	71%	0.71	S	S	*	*			trans	63.3	171.3	152.2	84.7	0	0	0	0	117.5
1550	S	26.4	Very low	27	Very low	84 Å²	84	127.5 Å²	127.5	59%	0.587	71%	0.707	S	S	*	*			cis	-145	146	-1.7	65.2	0	0	0	0	110.6
1551	N	27.2	Very low	27	Very low	150 Å²	150	126.6 Å²	126.6	80%	0.802	71%	0.709	S	S	*	*			trans	63.1	140.9	145.5	-65.9	-8.3	0	0	0	119.5
1552	S	27.7	Very low	27.3	Very low	86 Å²	86	125.6 Å²	125.6	60%	0.601	72%	0.717	S	S	*	*			cis	-170.4	145.1	-10	49.3	0	0	0	0	112.2
1553	N	29.3	Very low	27.5	Very low	133 Å²	133	122.4 Å²	122.4	71%	0.711	71%	0.714	S	S	*	*			trans	69.1	135.7	135.8	-68.3	2.3	0	0	0	120.7
1554	N	32.8	Very low	27.5	Very low	127 Å²	127	121.9 Å²	121.9	68%	0.679	71%	0.712	S	S	*	*			trans	76.3	144.6	143.8	-61.8	-4.8	0	0	0	117.5
1555	N	34.3	Very low	27.7	Very low	121 Å²	121	123.9 Å²	123.9	65%	0.647	72%	0.719	S	S	*	*			cis	-178.1	158	-14.4	-103.6	-13.5	0	0	0	106.2
1556	N	29.5	Very low	27.9	Very low	121 Å²	121	124.4 Å²	124.4	65%	0.647	72%	0.718	S	S	*	*			cis	-165.8	163.8	-24.5	-138.1	-8.6	0	0	0	107.5
1557	I	29.2	Very low	28.1	Very low	124 Å²	124	125.8 Å²	125.8	64%	0.636	72%	0.718	S	S	*	*			trans	62.4	85.5	143.6	-67.7	165.7	0	0	0	118.2
1558	T	26.9	Very low	28.3	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.724	72%	0.722	S	S	*	*				71.7	142	116	72.7	0	0	0	0	124.3
1559	M	25.2	Very low	28.4	Very low	161 Å²	161	125.5 Å²	125.5	79%	0.793	72%	0.723	S	S	*	*				127.9	146.8	105	-109.9	-82	-93.5	0	0	118.2
1560	V	28.2	Very low	28.5	Very low	103 Å²	103	124.6 Å²	124.6	62%	0.624	72%	0.717	S	S	*	*			trans	73.1	93.6	165.4	-173.7	0	0	0	0	118.7
1561	T	26.5	Very low	28.6	Very low	134 Å²	134	128.8 Å²	128.8	82%	0.822	73%	0.729	S	S	*	*			trans	22.5	127.5	135.1	62.1	0	0	0	0	121.4
1562	A	31.5	Very low	28.7	Very low	102 Å²	102	128.5 Å²	128.5	84%	0.843	73%	0.726	S	S	*	*			trans	-148.5	157.9	145.7	0	0	0	0	0	109.8
1563	T	28.2	Very low	28.8	Very low	120 Å²	120	128.9 Å²	128.9	74%	0.736	73%	0.729	S	S	*	*			trans	-104.4	179	-179.3	46.8	0	0	0	0	112.1
1564	D	27.3	Very low	28.9	Very low	129 Å²	129	129.3 Å²	129.3	69%	0.69	73%	0.731	S	S	*	*			trans	79.3	111.3	153.9	-58.4	-57.4	0	0	0	120.7
1565	N	29.1	Very low	28.8	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	73%	0.734	S	S	*	*			trans	73.3	162.4	139.8	-69.1	-55.9	0	0	0	121.3
1566	M	27.6	Very low	28.7	Very low	157 Å²	157	132 Å²	132	77%	0.773	75%	0.745	S	S	*	*			trans	90.2	114.8	162.9	-62.7	-163	149.8	0	0	120.8
1567	M	28.2	Very low	28.4	Very low	151 Å²	151	136 Å²	136	74%	0.744	76%	0.757	S	S	*	*				73.7	115	127.4	-67	-177.7	174	0	0	121.8
1568	N	28.6	Very low	28.3	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	77%	0.769	S	S	*	*				53.5	136.1	124.6	-67.5	-4	0	0	0	122.3
1569	S	28.1	Very low	28.2	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	77%	0.765	S	S	*	*			trans	74.4	150.1	144.1	-65.9	0	0	0	0	118.6
1570	S	27.6	Very low	28.1	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	77%	0.769	S	S	*	*			cis	-177.1	149.5	-20.2	53.8	0	0	0	0	109.9
1571	M	27.1	Very low	28	Very low	172 Å²	172	137.8 Å²	137.8	85%	0.847	77%	0.766	S	S	*	*			trans	66.5	155.8	152.3	-75.1	-170.6	-178.4	0	0	118.5
1572	I	29.8	Very low	28.1	Very low	143 Å²	143	139 Å²	139	73%	0.733	76%	0.757	S	S	*	*			cis	-164.1	167.1	-29.4	-125.6	172.9	0	0	0	108.4
1573	S	29	Very low	27.7	Very low	94 Å²	94	144.9 Å²	144.9	66%	0.657	76%	0.763	S	S	*	*			trans	78.5	137.8	169	-147.8	0	0	0	0	115.3
1574	N	32.8	Very low	27.6	Very low	142 Å²	142	143.9 Å²	143.9	76%	0.759	76%	0.757	S	S	*	*			cis	-149.3	153.7	38.8	-146.4	-24.8	0	0	0	115.2
1575	N	30.3	Very low	27.5	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	76%	0.76	S	S	*	*			trans	-49.5	128.1	-167.9	-61	-84.3	0	0	0	117.9
1576	N	31.4	Very low	27.3	Very low	167 Å²	167	143.2 Å²	143.2	89%	0.893	76%	0.757	S	S	*	*			trans	-152.2	157.6	134.3	-110.2	-41.3	0	0	0	111	M1578	N1576-M1578 PolarHBondContact O-N 2.84Å
1577	K	24.5	Very low	27.2	Very low	205 Å²	205	139.4 Å²	139.4	89%	0.891	74%	0.739	S	S	*	*			trans	-76.7	119.9	-165.1	-66.5	176.8	178	177.5	0	113.6
1578	M	25.8	Very low	27.2	Very low	180 Å²	180	140.9 Å²	140.9	89%	0.887	74%	0.741	S	S	*	*			trans	-136.9	154.9	155.1	-81.2	-163.4	173.4	0	0	112	N1576	N1576-M1578 PolarHBondContact O-N 2.84Å
1579	N	24.7	Very low	26.9	Very low	120 Å²	120	139 Å²	139	64%	0.642	73%	0.731	S	S	*	*			trans	-78.9	155.7	-161.4	-57.6	-61.1	0	0	0	116.1	I1581	N1579-I1581 HydrophobicContact CB-CB 3.65Å; N1579-I1581 HydrophobicContact CB-CD1 3.98Å; N1579-I1581 HydrophobicContact CB-CG1 3.57Å; N1579-I1581 VanDerWaalsContact CG-CD1 3.46Å
1580	P	24.4	Very low	26.8	Very low	136 Å²	136	141.5 Å²	141.5	88%	0.883	73%	0.727	S	S	*	*			trans	-89.5	96.5	135.2	33.2	-23.4	0	0	0	108.8
1581	I	26.3	Very low	26.7	Very low	107 Å²	107	147 Å²	147	55%	0.549	74%	0.74	S	S	.	*			trans	-118.4	118.2	-177.5	-96.3	-172.2	0	0	0	111.9	N1579	N1579-I1581 HydrophobicContact CB-CB 3.65Å; N1579-I1581 HydrophobicContact CB-CD1 3.98Å; N1579-I1581 HydrophobicContact CB-CG1 3.57Å; N1579-I1581 VanDerWaalsContact CG-CD1 3.46Å
1582	Y	28.2	Very low	26.5	Very low	161 Å²	161	143.6 Å²	143.6	63%	0.631	73%	0.732	S	S	*	*			trans	46.1	122.6	147.2	-64.8	-112.8	0	0	0	120.1	T1584	Y1582-T1584 WeakPolarHBondContact CD1-O 3.21Å; Y1582-T1584 WeakPolarHBondContact CD1-OG1 3.28Å
1583	F	23.7	Very low	26.2	Very low	225 Å²	225	143.7 Å²	143.7	99%	0.987	74%	0.735	S	S	*	*	S	Bend		-110.8	63.3	128.1	-136.1	-78	0	0	0	111.4
1584	T	24.8	Very low	26.1	Very low	98 Å²	98	144.6 Å²	144.6	60%	0.601	74%	0.736	S	S	*	*			trans	-135.5	152	158	38	0	0	0	0	109.8	Y1582	Y1582-T1584 WeakPolarHBondContact CD1-O 3.21Å; Y1582-T1584 WeakPolarHBondContact CD1-OG1 3.28Å
1585	Q	25.7	Very low	25.8	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.752	73%	0.728	S	S	*	*			trans	74	96.6	172.6	-62.7	-165.2	-10.2	0	0	121
1586	S	25.5	Very low	25.6	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	71%	0.71	S	S	*	*				72.3	88.7	107.8	-55.6	0	0	0	0	121
1587	L	25.1	Very low	25.6	Very low	77 Å²	77	134.5 Å²	134.5	40%	0.403	69%	0.689	S	S	.	*			trans	-138.8	128.2	-179.6	-45.6	165.7	0	0	0	108.6	N574 T575	N574-L1587 WeakPolarHBondContact O-CB 3.47Å; N574-L1587 VanDerWaalsContact O-CD2 3.3Å; N574-L1587 WeakPolarHBondContact O-CD2 3.34Å; T575-L1587 HydrophobicContact CG2-CD1 4.34Å; T575-L1587 HydrophobicContact CG2-CD2 4.25Å; T575-L1587 WeakPolarHBondContact OG1-CD1 3.28Å
1588	K	27.6	Very low	25.7	Very low	182 Å²	182	131 Å²	131	79%	0.791	68%	0.68	S	S	*	*			cis	103	50.9	-1	-122.7	176.3	-166.3	176.4	0	119.2	N574	N574-K1588 PolarHBondContact ND2-O 2.92Å
1589	L	23.5	Very low	26	Very low	101 Å²	101	128.8 Å²	128.8	53%	0.529	67%	0.672	S	S	.	*			trans	-130.9	164.8	146.8	-97.9	175.8	0	0	0	107.6	M573 N574	M573-L1589 HydrophobicContact SD-CB 4.02Å; M573-L1589 HydrophobicContact SD-CD1 4.13Å; N574-L1589 HydrophobicContact CB-CD1 3.87Å; N574-L1589 HydrophobicContact CB-CG 4.43Å; N574-L1589 VanDerWaalsContact CG-CG 3.4Å; N574-L1589 WeakPolarHBondContact ND2-CB 3.28Å; N574-L1589 WeakPolarHBondContact ND2-CG 3.49Å; N574-L1589 PolarHBondContact ND2-N 2.89Å; N574-L1589 VanDerWaalsContact OD1-CD1 3.27Å; N574-L1589 WeakPolarHBondContact OD1-CD1 3.22Å; N574-L1589 WeakPolarHBondContact OD1-CG 3.28Å
1590	K	24.4	Very low	26.1	Very low	166 Å²	166	130.4 Å²	130.4	72%	0.722	68%	0.675	S	S	*	*			cis	-106.6	155.3	-1.7	-69	177.7	179.2	172.6	0	111.9
1591	K	25.4	Very low	26.2	Very low	209 Å²	209	129.5 Å²	129.5	91%	0.909	66%	0.663	S	S	*	*			trans	-111.7	118	168.8	-147.5	-172.2	-170.1	-173.3	0	107.7
1592	S	23.3	Very low	26.4	Very low	99 Å²	99	131.5 Å²	131.5	69%	0.692	67%	0.67	S	S	*	*			trans	-150.2	95.3	178.7	54.1	0	0	0	0	113.1
1593	N	24.4	Very low	26.4	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	67%	0.672	S	S	*	*			trans	50.6	106.6	139.5	-56.5	-4.5	0	0	0	121.1
1594	T	25.8	Very low	26.6	Very low	113 Å²	113	125.8 Å²	125.8	69%	0.693	66%	0.659	S	S	*	*				33.1	134.1	120.8	58.4	0	0	0	0	120.2
1595	P	27.8	Very low	26.8	Very low	90 Å²	90	125.2 Å²	125.2	58%	0.584	66%	0.659	S	S	*	*				-97.7	150.5	76.4	-20.5	36.8	0	0	0	113.4
1596	I	25.4	Very low	27	Very low	70 Å²	70	124.4 Å²	124.4	36%	0.359	66%	0.66	S	S	.	*				57.8	115.7	60.4	-52.3	167.3	0	0	0	108.9	H552	H552-I1596 PolarHBondContact CE1-O 3.18Å; H552-I1596 PolarHBondContact ND1-O 3.03Å; H552-I1596 PolarHBondContact NE2-O 2.61Å
1597	V	30.6	Very low	27.3	Very low	75 Å²	75	126.7 Å²	126.7	46%	0.455	66%	0.664	S	S	.	*				-129.6	153.4	68.6	170.6	0	0	0	0	116.1	D551 H552	D551-V1597 WeakPolarHBondContact OD1-CG2 3.4Å; H552-V1597 PolarHBondContact NE2-N 2.75Å; H552-V1597 VanDerWaalsContact NE2-N 3.19Å
1598	N	27.3	Very low	27.8	Very low	131 Å²	131	127.4 Å²	127.4	70%	0.701	67%	0.673	S	S	*	*			trans	-70.8	155.6	173.8	-71	-46.1	0	0	0	112.1
1599	N	31.3	Very low	27.8	Very low	134 Å²	134	125.4 Å²	125.4	72%	0.717	67%	0.671	S	S	*	*				-173.2	138.9	71.5	-116.1	-31	0	0	0	114.7
1600	Q	26.8	Very low	28.1	Very low	153 Å²	153	126.3 Å²	126.3	72%	0.715	68%	0.676	S	S	*	*			trans	37.2	134.3	130.5	-76.3	-166.4	13.7	0	0	123.8
1601	N	28	Very low	28.3	Very low	117 Å²	117	124.8 Å²	124.8	63%	0.626	68%	0.675	S	S	*	*			trans	88.5	109.8	136.1	-63.4	-11.9	0	0	0	121.8
1602	H	30.3	Very low	28.6	Very low	150 Å²	150	121.3 Å²	121.3	69%	0.694	66%	0.662	S	S	*	*				66.5	112.7	125.4	-76.8	-54.9	0	0	0	122.3
1603	N	28.6	Very low	28.9	Very low	125 Å²	125	125.5 Å²	125.5	67%	0.668	66%	0.664	S	S	*	*				81.4	135.9	118.3	-71.2	13.3	0	0	0	122
1604	I	27.9	Very low	29.1	Very low	141 Å²	141	124.9 Å²	124.9	72%	0.723	66%	0.661	S	S	*	*			trans	77.9	86.2	137.2	-67.1	166.3	0	0	0	117.4
1605	S	27.2	Very low	29.2	Very low	86 Å²	86	125.3 Å²	125.3	60%	0.601	66%	0.655	S	S	*	*				92.8	149	115.5	81.1	0	0	0	0	121.9
1606	N	29.9	Very low	29.1	Very low	144 Å²	144	128 Å²	128	77%	0.77	65%	0.654	S	S	*	*			trans	64.8	110.4	151.1	-54.4	-14.3	0	0	0	118.4
1607	D	32	Very low	29.2	Very low	151 Å²	151	130 Å²	130	81%	0.807	67%	0.665	S	S	*	*				51.7	141.7	72.9	-106.2	26.8	0	0	0	115.1
1608	P	36	Very low	29	Very low	92 Å²	92	130.4 Å²	130.4	60%	0.597	67%	0.669	S	S	*	*			cis	-145.5	-160.5	-24.6	32.6	-8.9	0	0	0	114.1
1609	L	27.6	Very low	28.9	Very low	141 Å²	141	130.6 Å²	130.6	74%	0.738	67%	0.669	S	S	*	*			trans	87.2	134.8	147.8	-75.5	164.8	0	0	0	122.5
1610	N	29.1	Very low	28.6	Very low	120 Å²	120	132.7 Å²	132.7	64%	0.642	67%	0.672	S	S	*	*			trans	72.7	115.2	142.4	-72.6	-9.9	0	0	0	122.1
1611	N	29.7	Very low	28.6	Very low	133 Å²	133	128.5 Å²	128.5	71%	0.711	66%	0.657	S	S	*	*			trans	72.5	146.8	134.7	-59.4	-13	0	0	0	117.3
1612	H	31.9	Very low	28.4	Very low	137 Å²	137	127.4 Å²	127.4	63%	0.634	66%	0.658	S	S	*	*			cis	-153.9	166.3	8.8	-143.4	-71.3	0	0	0	110.5
1613	Y	29.6	Very low	28.1	Very low	187 Å²	187	130.7 Å²	130.7	73%	0.733	67%	0.665	S	S	*	*			trans	78.7	127.3	161.9	-72.6	-69.5	0	0	0	121.9
1614	N	29.2	Very low	27.9	Very low	132 Å²	132	127.8 Å²	127.8	71%	0.706	65%	0.654	S	S	*	*			trans	77.4	96.3	141.4	-71.5	8	0	0	0	122.8
1615	E	26.8	Very low	27.7	Very low	123 Å²	123	131.5 Å²	131.5	58%	0.575	66%	0.659	S	S	*	*				92.6	101	120.6	-61.9	-139.1	98	0	0	120.2
1616	R	26.1	Very low	27.6	Very low	147 Å²	147	135 Å²	135	56%	0.555	67%	0.666	S	S	*	*			trans	77.9	101	135.2	-61.8	-172.9	-154.4	-145.2	5	119.5
1617	N	26.5	Very low	27.3	Very low	112 Å²	112	137.9 Å²	137.9	60%	0.599	67%	0.667	S	S	*	*				80.3	140.2	121.5	-74.5	10	0	0	0	118.1	E1330	E1330-N1617 PolarHBondContact OE1-ND2 2.66Å
1618	P	26.9	Very low	27	Very low	82 Å²	82	136.5 Å²	136.5	53%	0.532	66%	0.659	S	S	.	*				-140.2	175.2	-98.4	36.4	-17.2	0	0	0	116.5
1619	L	25.8	Very low	26.4	Very low	135 Å²	135	138 Å²	138	71%	0.707	67%	0.666	S	S	*	*			trans	69.3	91.8	164.8	-62.3	150.8	0	0	0	114.7
1620	K	24.8	Very low	26.4	Very low	179 Å²	179	137.2 Å²	137.2	78%	0.778	66%	0.661	S	S	*	*				71.5	137.8	64.3	-65.9	-170.2	172.1	-177.3	0	115.9
1621	T	25.8	Very low	26.4	Very low	64 Å²	64	136.3 Å²	136.3	39%	0.393	66%	0.662	S	S	.	*			trans	79	106.2	172.1	66.8	0	0	0	0	115.7	H1322	H1322-T1621 PolarHBondContact CE1-OG1 3.31Å; H1322-T1621 PolarHBondContact ND1-OG1 3.32Å
1622	S	23.8	Very low	26.4	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	66%	0.659	S	S	*	*			cis	78.3	129.6	29.2	92.9	0	0	0	0	116.4
1623	R	25.5	Very low	26.2	Very low	220 Å²	220	136.1 Å²	136.1	83%	0.83	66%	0.661	S	S	*	*			trans	35.1	104.7	136.9	-70.4	-177.4	-178.1	175.4	0.3	116.2
1624	S	23.4	Very low	26.1	Very low	63 Å²	63	131.4 Å²	131.4	44%	0.441	65%	0.648	S	S	.	*				63.7	112.8	83.8	73.8	0	0	0	0	114.6
1625	W	23.5	Very low	26	Very low	219 Å²	219	128.1 Å²	128.1	83%	0.83	63%	0.631	S	S	*	*	S	Bend	trans	51.1	127.4	155.1	-70.9	74	0	0	0	120.1
1626	E	24.7	Very low	26	Very low	159 Å²	159	126.4 Å²	126.4	74%	0.743	62%	0.622	S	S	*	*			trans	70.2	178.5	155.9	-61.2	-177.1	128.1	0	0	118.8
1627	Y	24.1	Very low	26	Very low	206 Å²	206	122.3 Å²	122.3	81%	0.808	62%	0.616	S	S	*	*			trans	73.6	95.9	-158.1	-57.8	-78.7	0	0	0	113.5
1628	I	25.2	Very low	26.1	Very low	122 Å²	122	124 Å²	124	63%	0.626	63%	0.625	S	S	*	*				60.7	117.5	59.7	-45.4	158.8	0	0	0	107.9
1629	V	25.3	Very low	26.1	Very low	123 Å²	123	124 Å²	124	75%	0.745	63%	0.627	S	S	*	*				-156.3	121.6	78.2	165.1	0	0	0	0	111
1630	I	27.1	Very low	26.5	Very low	125 Å²	125	123 Å²	123	64%	0.641	63%	0.628	S	S	*	*				28.2	126.2	123.9	-68.7	162.6	0	0	0	116.5
1631	P	28.1	Very low	26.6	Very low	101 Å²	101	121.4 Å²	121.4	66%	0.656	63%	0.627	S	S	*	*				-134.9	142.6	75.8	22	-0.7	0	0	0	117.5
1632	H	29.5	Very low	26.8	Very low	140 Å²	140	123.1 Å²	123.1	65%	0.648	64%	0.642	S	S	*	*			trans	47.3	120.9	134	-71.3	-64.1	0	0	0	119.8
1633	N	27.5	Very low	26.9	Very low	126 Å²	126	124 Å²	124	67%	0.674	65%	0.648	S	S	*	*				70.2	142.3	83.6	-68.9	26.2	0	0	0	112
1634	N	28.3	Very low	27.3	Very low	88 Å²	88	119.8 Å²	119.8	47%	0.471	64%	0.641	S	S	.	*			cis	-159.5	139.3	7.6	-115.8	4.7	0	0	0	105.4	D1523	D1523-N1634 WeakPolarHBondContact CB-O 3.4Å
1635	N	27.5	Very low	27.6	Very low	63 Å²	63	126 Å²	126	34%	0.337	66%	0.66	S	S	.	*				100.5	93.2	58.5	170.5	91.3	0	0	0	115	D1523 Q1524 Q1525	D1523-N1635 CarbonylContact C-O 3.6Å; D1523-N1635 VanDerWaalsContact C-O 3.3Å; D1523-N1635 WeakPolarHBondContact CA-O 3.3Å; D1523-N1635 VanDerWaalsContact CB-C 3.41Å; D1523-N1635 WeakPolarHBondContact CB-O 3.37Å; D1523-N1635 VanDerWaalsContact OD1-CA 3.24Å; D1523-N1635 WeakPolarHBondContact OD1-CA 3.34Å; D1523-N1635 PolarHBondContact OD1-N 2.82Å; Q1524-N1635 CarbonylContact C-O 3.55Å; Q1524-N1635 VanDerWaalsContact CA-O 3.23Å; Q1524-N1635 WeakPolarHBondContact CA-O 3.24Å; Q1524-N1635 PolarHBondContact N-O 2.82Å; Q1525-N1635 PolarHBondContact N-ND2 3.45Å
1636	Q	27.3	Very low	27.8	Very low	86 Å²	86	119 Å²	119	40%	0.402	66%	0.655	S	S	.	*			trans	100.4	136.3	149.3	-60.5	169.9	31.7	0	0	122.8	N1522 D1523 Q1524 Q1525	N1522-Q1636 CarbonylContact C-O 3.3Å; D1523-Q1636 CarbonylContact C-O 3.27Å; D1523-Q1636 WeakPolarHBondContact CA-O 3.45Å; D1523-Q1636 PolarHBondContact OD1-N 3.22Å; Q1524-Q1636 PolarHBondContact N-O 3.45Å; Q1524-Q1636 PolarHBondContact O-OE1 2.87Å; Q1525-Q1636 VanDerWaalsContact O-CD 3.23Å; Q1525-Q1636 PolarHBondContact O-NE2 3.25Å; Q1525-Q1636 PolarHBondContact O-OE1 3.02Å
1637	S	26.1	Very low	28.1	Very low	61 Å²	61	120.1 Å²	120.1	43%	0.427	66%	0.658	S	S	.	*			trans	80.3	167.6	136	86	0	0	0	0	119.6	N1522	N1522-S1637 PolarHBondContact N-O 3.43Å; N1522-S1637 VanDerWaalsContact N-O 3.08Å; N1522-S1637 VanDerWaalsContact O-O 3.12Å
1638	L	26.9	Very low	28.4	Very low	149 Å²	149	117.1 Å²	117.1	78%	0.78	65%	0.651	S	S	*	*			cis	-152.7	163.5	-10.9	-128.1	158.6	0	0	0	110.9
1639	S	28.7	Very low	28.6	Very low	81 Å²	81	118.1 Å²	118.1	57%	0.566	66%	0.657	S	S	*	*			trans	-43	163.5	171.2	76.3	0	0	0	0	116.9
1640	P	33.1	Very low	28.8	Very low	113 Å²	113	121.5 Å²	121.5	73%	0.734	66%	0.662	S	S	*	*				-151.8	158	79.2	39.9	-21.2	0	0	0	119.3
1641	L	27.4	Very low	29	Very low	147 Å²	147	120.2 Å²	120.2	77%	0.77	66%	0.662	S	S	*	*			trans	14.6	143	139.5	-71.3	63.8	0	0	0	119
1642	S	29	Very low	28.9	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	67%	0.665	S	S	*	*				-177.1	138.1	62.2	37.1	0	0	0	0	116.5
1643	S	27.8	Very low	29	Very low	111 Å²	111	122.3 Å²	122.3	78%	0.776	66%	0.663	S	S	*	*			trans	69.4	161.8	144.6	77.2	0	0	0	0	118.1
1644	I	32.1	Very low	29.1	Very low	133 Å²	133	122.7 Å²	122.7	68%	0.682	66%	0.661	S	S	*	*			cis	-134.3	141.2	17.4	-65.4	176.1	0	0	0	112.2
1645	K	29.7	Very low	29.1	Very low	193 Å²	193	124.9 Å²	124.9	84%	0.839	67%	0.668	S	S	*	*			trans	4.6	135.4	150.6	-43.3	156.4	-166.9	165.2	0	117.5
1646	G	28.4	Very low	29.1	Very low	71 Å²	71	128.4 Å²	128.4	73%	0.732	68%	0.683	S	S	*	*			cis	94.8	123.9	5.2	0	0	0	0	0	115
1647	K	30.8	Very low	29.2	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.796	70%	0.699	S	S	*	*			trans	175.1	145.6	159.5	-106.6	176.5	169.5	-169.3	0	114.8
1648	H	31.6	Very low	29.4	Very low	143 Å²	143	132.1 Å²	132.1	66%	0.662	71%	0.705	S	S	*	*			trans	46.1	157.9	144.8	-59.7	-43.4	0	0	0	122.3
1649	N	29	Very low	29.6	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	69%	0.689	S	S	*	*			cis	-169.1	163.8	-29.9	-105.8	3.1	0	0	0	108.6
1650	K	28.7	Very low	29.6	Very low	194 Å²	194	131.4 Å²	131.4	84%	0.843	69%	0.689	S	S	*	*			trans	-39.8	159.8	156.5	-79.8	-173.6	176.5	-172.2	0	113.7
1651	P	31	Very low	29.7	Very low	98 Å²	98	131.3 Å²	131.3	64%	0.636	68%	0.681	S	S	*	*			cis	-157.9	-163.8	45.9	44.8	-22.5	0	0	0	118.5
1652	Q	27.1	Very low	29.9	Very low	156 Å²	156	128.7 Å²	128.7	73%	0.729	68%	0.675	S	S	*	*			trans	74.5	142.7	148.1	-82.5	176.1	-76.2	0	0	118.1
1653	E	30.6	Very low	30	Very low	129 Å²	129	130.1 Å²	130.1	60%	0.603	68%	0.675	S	S	*	*			cis	-147	146.9	5.6	-105.1	169.1	166.3	0	0	114.6
1654	Q	29.2	Very low	30.3	Very low	134 Å²	134	130.1 Å²	130.1	63%	0.626	67%	0.666	S	S	*	*			trans	58.2	144	133.7	-61.2	175.1	35.1	0	0	121.4
1655	Q	29	Very low	30.1	Very low	135 Å²	135	131 Å²	131	63%	0.631	67%	0.668	S	S	*	*			cis	-161.5	145.9	-1.3	-119.4	170.3	-13.2	0	0	114.1
1656	Q	28.1	Very low	30.2	Very low	136 Å²	136	126.8 Å²	126.8	64%	0.636	66%	0.658	S	S	*	*			trans	42.9	146.5	137.2	-69.2	170.4	-77.5	0	0	120.7
1657	E	28.1	Very low	30.4	Very low	160 Å²	160	130.6 Å²	130.6	75%	0.748	66%	0.66	S	S	*	*			cis	-167.2	171	9.7	-118.7	159.4	-167.2	0	0	109
1658	A	31.7	Very low	30.6	Very low	66 Å²	66	126.7 Å²	126.7	55%	0.545	65%	0.653	S	S	.	*			cis	179.4	-176.2	-38.4	0	0	0	0	0	107.9	I1683	A1658-I1683 WeakPolarHBondContact O-CD1 3.39Å
1659	S	30.7	Very low	30.7	Very low	64 Å²	64	124.4 Å²	124.4	45%	0.448	65%	0.654	S	S	.	*			cis	-118.5	-108.6	-10.9	-41.3	0	0	0	0	110	T1682	S1659-T1682 CarbonylContact O-C 3.6Å; S1659-T1682 PolarHBondContact O-OG1 2.98Å
1660	W	29.7	Very low	30.8	Very low	151 Å²	151	123.6 Å²	123.6	57%	0.572	65%	0.649	S	S	*	*			cis	-155.2	86.6	-1.5	-100.2	98.4	0	0	0	111.1	T1682 I1683	W1660-T1682 WeakPolarHBondContact CA-OG1 3.24Å; W1660-T1682 PolarHBondContact N-OG1 3.08Å; W1660-T1682 WeakPolarHBondContact O-CB 3.44Å; W1660-T1682 PolarHBondContact O-OG1 3.47Å; W1660-I1683 HydrophobicContact CB-CG1 3.93Å; W1660-I1683 HydrophobicContact CG-CG1 4.4Å
1661	I	33.3	Very low	30.8	Very low	110 Å²	110	122.4 Å²	122.4	56%	0.564	64%	0.644	S	S	*	*			trans	63.2	135.3	132.3	-73.8	149.2	0	0	0	119.1	T1682	I1661-T1682 PolarHBondContact N-OG1 3.17Å
1662	S	31.7	Very low	30.6	Very low	93 Å²	93	122.9 Å²	122.9	65%	0.65	65%	0.65	S	S	*	*			cis	-167	-170.2	-11.3	59	0	0	0	0	107.2
1663	N	31.8	Very low	30.7	Very low	129 Å²	129	121.6 Å²	121.6	69%	0.69	65%	0.653	S	S	*	*			cis	-158.4	-160.9	5.1	-136.7	-22.9	0	0	0	106.7
1664	N	33.3	Very low	30.6	Very low	112 Å²	112	121.4 Å²	121.4	60%	0.599	66%	0.661	S	S	*	*			cis	-157.1	136.3	3.9	-134.8	0.5	0	0	0	107.5
1665	Q	29.1	Very low	30.6	Very low	152 Å²	152	122.1 Å²	122.1	71%	0.71	67%	0.667	S	S	*	*				51.8	133	105.5	-61.6	-165.3	2.1	0	0	119.2
1666	T	31	Very low	30.7	Very low	104 Å²	104	123.3 Å²	123.3	64%	0.638	68%	0.677	S	S	*	*			cis	-173.1	155.2	1.9	21.7	0	0	0	0	114.6
1667	I	32.8	Very low	30.9	Very low	150 Å²	150	122.2 Å²	122.2	77%	0.769	68%	0.684	S	S	*	*			trans	74.6	142.5	139.5	-77	166.2	0	0	0	120.5
1668	P	35.1	Very low	30.9	Very low	101 Å²	101	120.6 Å²	120.6	66%	0.656	69%	0.687	S	S	*	*			cis	-144.2	174.9	-23.7	40.3	-21	0	0	0	118
1669	S	34.2	Very low	30.8	Very low	96 Å²	96	126.1 Å²	126.1	67%	0.671	70%	0.702	S	S	*	*			trans	65.4	146.3	147.8	61	0	0	0	0	121.1
1670	N	31.3	Very low	30.6	Very low	125 Å²	125	132.5 Å²	132.5	67%	0.668	73%	0.725	S	S	*	*			cis	-165.2	149.1	-10.7	-94.1	-24.2	0	0	0	106.8
1671	K	29	Very low	30.6	Very low	170 Å²	170	130.2 Å²	130.2	74%	0.739	73%	0.732	S	S	*	*			cis	-171.7	150.2	-13.1	-119.6	173.7	-171.8	128.5	0	109.9
1672	S	26.4	Very low	30.3	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	73%	0.726	S	S	*	*			trans	61.7	143.1	162.6	38.6	0	0	0	0	118.2
1673	T	28.8	Very low	30.2	Very low	128 Å²	128	129.2 Å²	129.2	79%	0.785	72%	0.722	S	S	*	*			cis	-168.1	147	-1.4	16.6	0	0	0	0	107.5
1674	T	27.9	Very low	30.1	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	72%	0.716	S	S	*	*			cis	-151.9	130.6	-3.6	-55.1	0	0	0	0	109.1
1675	I	30.1	Very low	29.9	Very low	149 Å²	149	131 Å²	131	76%	0.764	72%	0.722	S	S	*	*			trans	-149.4	138.4	-179.7	-84.8	-176.9	0	0	0	110.3
1676	L	30.8	Very low	29.9	Very low	160 Å²	160	131.3 Å²	131.3	84%	0.838	73%	0.727	S	S	*	*			trans	58.5	163	157.2	-73.1	167.5	0	0	0	124.5
1677	S	33.1	Very low	29.9	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	73%	0.729	S	S	*	*			trans	82.6	147.1	160.3	79.1	0	0	0	0	118.3
1678	P	26.6	Very low	29.9	Very low	126 Å²	126	130 Å²	130	82%	0.818	73%	0.733	S	S	*	*				-134	177.2	73.6	41.9	-30.1	0	0	0	116.9
1679	Q	29.5	Very low	29.6	Very low	182 Å²	182	130.2 Å²	130.2	85%	0.85	74%	0.736	S	S	*	*			trans	-120.2	168.8	163	-60.3	171.3	-99	0	0	109.2
1680	E	27.2	Very low	29.5	Very low	198 Å²	198	133.3 Å²	133.3	93%	0.925	74%	0.744	S	S	*	*				178.5	175.7	123.9	-97.8	174.6	-169.6	0	0	112.3
1681	S	29.6	Very low	29.7	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	75%	0.751	S	S	*	*			trans	-148.9	-172.4	-158.8	64	0	0	0	0	115.6
1682	T	27.9	Very low	29.9	Very low	72 Å²	72	130.8 Å²	130.8	44%	0.442	75%	0.748	S	S	.	*			trans	73.8	166.9	-163.2	69.2	0	0	0	0	113	S1659 W1660 I1661	S1659-T1682 CarbonylContact O-C 3.6Å; S1659-T1682 PolarHBondContact O-OG1 2.98Å; W1660-T1682 WeakPolarHBondContact CA-OG1 3.24Å; W1660-T1682 PolarHBondContact N-OG1 3.08Å; W1660-T1682 WeakPolarHBondContact O-CB 3.44Å; W1660-T1682 PolarHBondContact O-OG1 3.47Å; I1661-T1682 PolarHBondContact N-OG1 3.17Å
1683	I	29.1	Very low	30.2	Very low	110 Å²	110	129 Å²	129	56%	0.564	73%	0.73	S	S	*	*			cis	-60.7	162.2	-2.9	-72.7	162.1	0	0	0	113.6	A1658 W1660	A1658-I1683 WeakPolarHBondContact O-CD1 3.39Å; W1660-I1683 HydrophobicContact CB-CG1 3.93Å; W1660-I1683 HydrophobicContact CG-CG1 4.4Å
1684	H	29.1	Very low	30.5	Very low	122 Å²	122	128.4 Å²	128.4	57%	0.565	72%	0.718	S	S	*	*			cis	106.6	67.5	0.3	-143.9	-35.5	0	0	0	120.9
1685	H	29.6	Very low	30.6	Very low	156 Å²	156	127.2 Å²	127.2	72%	0.722	72%	0.715	S	S	*	*			trans	88.7	126.1	152.5	-82.5	-29.5	0	0	0	125
1686	I	29.8	Very low	30.5	Very low	160 Å²	160	129.7 Å²	129.7	82%	0.821	72%	0.721	S	S	*	*			trans	72.9	129.6	142.4	-59.2	161.8	0	0	0	118.8
1687	G	30.6	Very low	30.5	Very low	66 Å²	66	128 Å²	128	68%	0.68	72%	0.717	S	S	*	*			trans	173.9	-26.9	159	0	0	0	0	0	124.9
1688	N	31.9	Very low	30.4	Very low	159 Å²	159	128.1 Å²	128.1	85%	0.85	71%	0.713	S	S	*	*			trans	55	138.7	172.1	-77.1	14.2	0	0	0	123
1689	C	29.4	Very low	30.6	Very low	107 Å²	107	129.2 Å²	129.2	72%	0.723	71%	0.711	S	S	*	*			trans	85.7	104.7	144.4	-69.6	0	0	0	0	124.4
1690	L	32.7	Very low	30.7	Very low	161 Å²	161	125.5 Å²	125.5	84%	0.843	70%	0.703	S	S	*	*				62.1	117.5	126.3	-61.6	165.9	0	0	0	123.1
1691	S	34.6	Very low	30.8	Very low	116 Å²	116	121.9 Å²	121.9	81%	0.811	70%	0.695	S	S	*	*				165.5	137.8	122.1	44.9	0	0	0	0	116.8
1692	D	33.4	Very low	30.8	Very low	125 Å²	125	121.9 Å²	121.9	67%	0.668	69%	0.691	S	S	*	*			trans	41.5	125.6	136.5	-63.7	22.3	0	0	0	126.1
1693	N	33.2	Very low	31	Very low	72 Å²	72	122.3 Å²	122.3	39%	0.385	69%	0.693	S	S	.	*				108.6	117.9	122.4	-68.9	13.2	0	0	0	126.8	S1714 T1715 T1716	N1693-S1714 CarbonylContact C-O 3.57Å; N1693-S1714 WeakPolarHBondContact CA-O 3.43Å; N1693-S1714 PolarHBondContact N-O 2.85Å; N1693-T1715 WeakPolarHBondContact CA-O 3.46Å; N1693-T1715 VanDerWaalsContact CG-C 3.4Å; N1693-T1715 WeakPolarHBondContact OD1-CB 3.14Å; N1693-T1715 PolarHBondContact OD1-O 2.78Å; N1693-T1715 PolarHBondContact OD1-OG1 2.78Å; N1693-T1716 PolarHBondContact ND2-N 2.76Å; N1693-T1716 PolarHBondContact ND2-OG1 2.62Å; N1693-T1716 PolarHBondContact OD1-N 2.69Å; N1693-T1716 PolarHBondContact OD1-OG1 3.36Å
1694	Q	34	Very low	31.2	Very low	115 Å²	115	122.5 Å²	122.5	54%	0.537	70%	0.7	S	S	.	*			trans	79.8	121.5	133.2	-114.4	158.5	13.2	0	0	128.9	S1714 T1715 T1716	Q1694-S1714 PolarHBondContact N-O 2.66Å; Q1694-T1715 WeakPolarHBondContact CA-O 3.43Å; Q1694-T1715 WeakPolarHBondContact CB-O 3.38Å; Q1694-T1715 WeakPolarHBondContact CG-O 3.37Å; Q1694-T1715 PolarHBondContact N-O 2.88Å; Q1694-T1716 PolarHBondContact NE2-O 2.81Å
1695	S	30.4	Very low	31.4	Very low	100 Å²	100	122.3 Å²	122.3	70%	0.699	71%	0.708	S	S	*	*				61.7	123.5	130	65.4	0	0	0	0	128.5
1696	F	28	Very low	31.7	Very low	202 Å²	202	120.9 Å²	120.9	89%	0.886	71%	0.71	S	S	*	*				54	161.5	128.5	-101.5	-93.1	0	0	0	125.4
1697	T	31.7	Very low	31.9	Very low	125 Å²	125	119.5 Å²	119.5	77%	0.767	71%	0.709	S	S	*	*			trans	86	145.5	170.6	72.6	0	0	0	0	117.4
1698	T	30.2	Very low	32.2	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	71%	0.71	S	S	*	*			cis	-169.4	150.3	-8.4	-103	0	0	0	0	113.6
1699	I	31.1	Very low	32.4	Very low	149 Å²	149	118.9 Å²	118.9	76%	0.764	71%	0.707	S	S	*	*			trans	79.7	115.8	158.7	-86	164.1	0	0	0	123.1
1700	C	30.5	Very low	32.7	Very low	103 Å²	103	119.4 Å²	119.4	70%	0.696	71%	0.707	S	S	*	*			trans	66.3	133.4	137.5	-62.5	0	0	0	0	127.2
1701	T	30.8	Very low	32.7	Very low	122 Å²	122	117.5 Å²	117.5	75%	0.748	70%	0.702	S	S	*	*			trans	79.8	90.2	139.7	44	0	0	0	0	123.2
1702	T	29.1	Very low	32.7	Very low	104 Å²	104	117.5 Å²	117.5	64%	0.638	70%	0.698	S	S	*	*				76.4	146.1	127.5	53.7	0	0	0	0	123.5
1703	T	31	Very low	32.8	Very low	80 Å²	80	117.7 Å²	117.7	49%	0.491	70%	0.703	S	S	.	*			trans	75.9	112.1	158	30.2	0	0	0	0	121.2
1704	T	34.1	Very low	32.9	Very low	114 Å²	114	117.4 Å²	117.4	70%	0.699	71%	0.707	S	S	*	*			trans	70.8	119.7	141.1	48.2	0	0	0	0	122.3
1705	T	34.4	Very low	33	Very low	119 Å²	119	115.4 Å²	115.4	73%	0.73	70%	0.702	S	S	*	*			trans	73.9	115.4	138.1	52.2	0	0	0	0	122.4
1706	T	35	Very low	33.2	Very low	125 Å²	125	114 Å²	114	77%	0.767	69%	0.69	S	S	*	*			trans	80.1	131.8	136.6	48.6	0	0	0	0	123.2
1707	T	34.1	Very low	33.5	Very low	131 Å²	131	108.1 Å²	108.1	80%	0.804	68%	0.679	S	S	*	*			trans	75.1	101	147.5	45.8	0	0	0	0	122.7
1708	A	37.4	Very low	33.6	Very low	86 Å²	86	108.6 Å²	108.6	71%	0.711	68%	0.681	S	S	*	*				89.5	118.7	118.7	0	0	0	0	0	123.8
1709	T	35.7	Very low	33.7	Very low	126 Å²	126	108.8 Å²	108.8	77%	0.773	68%	0.683	S	S	*	*			trans	82.9	120.3	135.4	45.8	0	0	0	0	125
1710	T	34.6	Very low	33.8	Very low	119 Å²	119	107.9 Å²	107.9	73%	0.73	68%	0.684	S	S	*	*			trans	89.4	105.5	133.4	48.3	0	0	0	0	125.8
1711	T	34.5	Very low	33.7	Very low	120 Å²	120	107.3 Å²	107.3	74%	0.736	68%	0.681	S	S	*	*				86.4	114	123.5	54	0	0	0	0	127.1
1712	T	34.7	Very low	33.8	Very low	117 Å²	117	106.5 Å²	106.5	72%	0.718	68%	0.681	S	S	*	*				90.5	119.3	123.7	53.4	0	0	0	0	127.6
1713	T	35.1	Very low	33.8	Very low	129 Å²	129	110 Å²	110	79%	0.791	69%	0.687	S	S	*	*			trans	68.5	148.8	135.8	52.8	0	0	0	0	123.7
1714	S	35.1	Very low	33.7	Very low	65 Å²	65	115 Å²	115	46%	0.455	70%	0.698	S	S	.	*			cis	-173.3	171.5	-15.7	55.8	0	0	0	0	113.1	N1693 Q1694	N1693-S1714 CarbonylContact C-O 3.57Å; N1693-S1714 WeakPolarHBondContact CA-O 3.43Å; N1693-S1714 PolarHBondContact N-O 2.85Å; Q1694-S1714 PolarHBondContact N-O 2.66Å
1715	T	35.6	Very low	33.5	Very low	73 Å²	73	115 Å²	115	45%	0.448	70%	0.698	S	S	.	*			trans	66.7	167.7	158.4	49.4	0	0	0	0	119.7	N1693 Q1694	N1693-T1715 WeakPolarHBondContact CA-O 3.46Å; N1693-T1715 VanDerWaalsContact CG-C 3.4Å; N1693-T1715 WeakPolarHBondContact OD1-CB 3.14Å; N1693-T1715 PolarHBondContact OD1-O 2.78Å; N1693-T1715 PolarHBondContact OD1-OG1 2.78Å; Q1694-T1715 WeakPolarHBondContact CA-O 3.43Å; Q1694-T1715 WeakPolarHBondContact CB-O 3.38Å; Q1694-T1715 WeakPolarHBondContact CG-O 3.37Å; Q1694-T1715 PolarHBondContact N-O 2.88Å
1716	T	34.7	Very low	33.3	Very low	70 Å²	70	116 Å²	116	43%	0.429	70%	0.699	S	S	.	*			cis	-160.6	170.7	-12.8	17.1	0	0	0	0	113.2	N1693 Q1694	N1693-T1716 PolarHBondContact ND2-N 2.76Å; N1693-T1716 PolarHBondContact ND2-OG1 2.62Å; N1693-T1716 PolarHBondContact OD1-N 2.69Å; N1693-T1716 PolarHBondContact OD1-OG1 3.36Å; Q1694-T1716 PolarHBondContact NE2-O 2.81Å
1717	A	35.2	Very low	33.2	Very low	80 Å²	80	119.4 Å²	119.4	66%	0.661	70%	0.699	S	S	*	*			trans	77.1	145	160.3	0	0	0	0	0	121.9
1718	T	32.7	Very low	33	Very low	134 Å²	134	118.2 Å²	118.2	82%	0.822	69%	0.692	S	S	*	*				-169.3	172.4	-51	19.5	0	0	0	0	112.7
1719	V	33	Very low	32.6	Very low	119 Å²	119	119.8 Å²	119.8	72%	0.721	69%	0.693	S	S	*	*			trans	105.8	96.9	156.2	-175.2	0	0	0	0	119.5
1720	T	32	Very low	32.3	Very low	129 Å²	129	121.1 Å²	121.1	79%	0.791	69%	0.694	S	S	*	*			trans	54.9	147.9	147	59.4	0	0	0	0	122.3
1721	S	30.1	Very low	32.1	Very low	91 Å²	91	123.6 Å²	123.6	64%	0.636	70%	0.697	S	S	*	*			cis	-174.5	153.2	-13.8	50.6	0	0	0	0	112
1722	S	31.1	Very low	31.8	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	71%	0.705	S	S	*	*			trans	66.2	151.1	150.2	69	0	0	0	0	119.8
1723	K	29.1	Very low	31.5	Very low	178 Å²	178	129.2 Å²	129.2	77%	0.774	71%	0.712	S	S	*	*			cis	-165	154	-16.8	-111.9	-170.7	177.2	-173.2	0	109.7
1724	Y	29.7	Very low	31.2	Very low	183 Å²	183	127.7 Å²	127.7	72%	0.718	71%	0.707	S	S	*	*			trans	63.8	111.3	152.2	-86.3	-111	0	0	0	121.5
1725	T	30.6	Very low	31	Very low	114 Å²	114	131 Å²	131	70%	0.699	72%	0.719	S	S	*	*				33.6	133.2	127.7	61.3	0	0	0	0	122
1726	D	29.3	Very low	30.8	Very low	142 Å²	142	136 Å²	136	76%	0.759	74%	0.737	S	S	*	*			trans	-152.1	139.1	150	-98.6	-18	0	0	0	112.4
1727	Y	32.5	Very low	30.4	Very low	196 Å²	196	140.1 Å²	140.1	77%	0.769	76%	0.756	S	S	*	*			trans	57.4	154.5	136.8	-70.9	-131.2	0	0	0	120.4
1728	T	31.4	Very low	30	Very low	106 Å²	106	144.9 Å²	144.9	65%	0.65	76%	0.762	S	S	*	*			cis	-156.1	144.4	-18.6	20.2	0	0	0	0	106.4
1729	T	27.7	Very low	29.8	Very low	119 Å²	119	143.9 Å²	143.9	73%	0.73	76%	0.755	S	S	*	*				67.7	133.9	53.9	6.6	0	0	0	0	118.6
1730	I	29.8	Very low	29.5	Very low	153 Å²	153	147.2 Å²	147.2	79%	0.785	76%	0.76	S	S	*	*			trans	93.9	133.1	151.3	-68.3	162.8	0	0	0	120
1731	E	29.4	Very low	29.4	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	76%	0.759	S	S	*	*			trans	-79.6	165.4	-178.3	-48.2	140.8	119.1	0	0	112.5
1732	Q	28.7	Very low	29.3	Very low	195 Å²	195	151.7 Å²	151.7	91%	0.911	76%	0.764	S	S	*	*			trans	-153.1	129.3	140.9	-120.6	172.8	45.7	0	0	112.5
1733	N	29.1	Very low	29.3	Very low	160 Å²	160	151.5 Å²	151.5	86%	0.856	75%	0.752	S	S	*	*			trans	-77.2	131.7	168.1	-86.7	-53.8	0	0	0	110.2
1734	S	29	Very low	29.5	Very low	98 Å²	98	151.8 Å²	151.8	69%	0.685	75%	0.749	S	S	*	*				179.3	157.5	126.9	57.5	0	0	0	0	113.1
1735	N	29.4	Very low	29.7	Very low	133 Å²	133	149.6 Å²	149.6	71%	0.711	75%	0.745	S	S	*	*			trans	44.3	101.1	147.8	-53.7	-22.7	0	0	0	119
1736	H	32	Very low	29.9	Very low	179 Å²	179	149.5 Å²	149.5	83%	0.829	74%	0.744	S	S	*	*				179.4	132.5	93.7	-106.5	-78.4	0	0	0	114.1
1737	L	26.2	Very low	30.1	Very low	157 Å²	157	149.1 Å²	149.1	82%	0.822	74%	0.743	S	S	*	*			trans	-74.6	129.3	140.9	-81.6	80.8	0	0	0	108
1738	K	28	Very low	30	Very low	180 Å²	180	146.9 Å²	146.9	78%	0.783	74%	0.743	S	S	*	*				172.7	125.4	114.2	-95.3	177.3	179	178.2	0	114.9
1739	T	27.9	Very low	29.8	Very low	113 Å²	113	147 Å²	147	69%	0.693	75%	0.748	S	S	*	*			trans	70.9	155.6	139.8	59.5	0	0	0	0	121.8
1740	F	27.6	Very low	29.8	Very low	188 Å²	188	147.6 Å²	147.6	83%	0.825	75%	0.751	S	S	*	*			trans	67.4	104.3	173.9	-64.8	-76.8	0	0	0	116.2
1741	N	27.9	Very low	29.8	Very low	143 Å²	143	147.7 Å²	147.7	77%	0.765	75%	0.753	S	S	*	*			cis	74	88	30.6	-166.9	11	0	0	0	115.3
1742	K	29.9	Very low	29.8	Very low	172 Å²	172	149.7 Å²	149.7	75%	0.748	75%	0.754	S	S	*	*			trans	-170.7	133.1	134.3	-113	-174.6	176.2	-150.4	0	114.7
1743	Q	30.6	Very low	30	Very low	102 Å²	102	148.4 Å²	148.4	48%	0.477	75%	0.753	S	S	.	*			trans	50.4	135.4	132.2	-81.1	178	-52.6	0	0	120.5
1744	Y	32.1	Very low	30.1	Very low	184 Å²	184	148 Å²	148	72%	0.722	75%	0.75	S	S	*	*			cis	-130.7	134.5	20.2	-94.3	-96.9	0	0	0	112
1745	H	34.9	Very low	30.3	Very low	137 Å²	137	150.3 Å²	150.3	63%	0.634	76%	0.755	S	S	*	*				55.5	138.1	104.1	-72.4	-104.9	0	0	0	116.2
1746	T	34.1	Very low	30.6	Very low	111 Å²	111	148.6 Å²	148.6	68%	0.681	75%	0.754	S	S	*	*			cis	-166.7	170.1	-7.3	13.7	0	0	0	0	106.2
1747	N	33.8	Very low	30.7	Very low	135 Å²	135	149.1 Å²	149.1	72%	0.722	75%	0.754	S	S	*	*			cis	-153.7	177.7	8.7	-133.8	-2.6	0	0	0	107
1748	L	31	Very low	31	Very low	149 Å²	149	147.6 Å²	147.6	78%	0.78	75%	0.746	S	S	*	*			cis	-147.6	167.4	-1	-179	64.5	0	0	0	106.6
1749	S	26.7	Very low	31	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	74%	0.744	S	S	*	*			trans	-152.2	170.8	-174.8	61.5	0	0	0	0	115.9
1750	V	28.4	Very low	31.2	Very low	130 Å²	130	147.9 Å²	147.9	79%	0.788	75%	0.749	S	S	*	*			trans	-51	153.1	173	177.1	0	0	0	0	113
1751	L	29.1	Very low	31.3	Very low	155 Å²	155	145.3 Å²	145.3	81%	0.812	74%	0.744	S	S	*	*			trans	-129.1	120.4	177.6	-136.3	165.9	0	0	0	110.6
1752	Y	29	Very low	31.6	Very low	214 Å²	214	144.2 Å²	144.2	84%	0.839	75%	0.747	S	S	*	*			trans	-127	145.7	174.6	-122.7	-92.5	0	0	0	108.6
1753	L	33.3	Very low	31.5	Very low	168 Å²	168	143 Å²	143	88%	0.88	75%	0.749	S	S	*	*			trans	-100.2	154.6	176	-85.3	163.8	0	0	0	111.7
1754	N	31.5	Very low	31.6	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	77%	0.765	S	S	*	*			trans	-142.6	147.6	-159.3	-179.3	8	0	0	0	110.9
1755	N	33.5	Very low	31.6	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	76%	0.764	S	S	*	*			trans	-162.9	140.2	165	-116.9	-27.7	0	0	0	115.3
1756	S	35.1	Very low	31.4	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	77%	0.765	S	S	*	*			trans	58.6	115	162	35.6	0	0	0	0	119.3
1757	K	33.6	Very low	31.5	Very low	191 Å²	191	146.1 Å²	146.1	83%	0.83	77%	0.77	S	S	*	*				77.4	139	74	-76.6	-176.7	177.8	179.3	0	113.4
1758	N	32.5	Very low	31.4	Very low	124 Å²	124	149.1 Å²	149.1	66%	0.663	78%	0.776	S	S	*	*			cis	-166.5	142	7.3	-131.5	15.6	0	0	0	115.2
1759	I	29.1	Very low	31.4	Very low	144 Å²	144	150 Å²	150	74%	0.738	78%	0.777	S	S	*	*			trans	57.7	-174.9	162.9	-15.4	172.2	0	0	0	114.3
1760	I	31.8	Very low	31.7	Very low	156 Å²	156	152.9 Å²	152.9	80%	0.8	78%	0.778	S	S	*	*			cis	-139.4	149.2	8.3	-45.9	164.7	0	0	0	110.9
1761	D	29.9	Very low	31.9	Very low	133 Å²	133	153.2 Å²	153.2	71%	0.711	77%	0.774	S	S	*	*			trans	-84.7	160.1	174.6	-68.9	-82.4	0	0	0	115.8
1762	S	33	Very low	31.9	Very low	120 Å²	120	152.6 Å²	152.6	84%	0.839	77%	0.771	S	S	*	*				179.6	161.5	113.2	41.5	0	0	0	0	114.3
1763	N	28.4	Very low	31.9	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	77%	0.771	S	S	*	*			trans	-124	179.9	-168.5	-89	-77.4	0	0	0	112.6
1764	Q	33.3	Very low	31.6	Very low	175 Å²	175	150.2 Å²	150.2	82%	0.818	77%	0.768	S	S	*	*			trans	90	151.1	161	-48.9	-173	5.3	0	0	116.7
1765	L	32.4	Very low	31.5	Very low	135 Å²	135	148.4 Å²	148.4	71%	0.707	77%	0.768	S	S	*	*			cis	-151.4	133.4	6.4	-159.1	74.4	0	0	0	115.2
1766	N	30.8	Very low	31.2	Very low	122 Å²	122	149.8 Å²	149.8	65%	0.652	77%	0.767	S	S	*	*			trans	19.5	146.8	149.9	-59.8	-13.5	0	0	0	127.1
1767	H	35	Very low	30.8	Very low	169 Å²	169	151.4 Å²	151.4	78%	0.782	77%	0.767	S	S	*	*			trans	77.9	111.4	138.7	-68.5	-33.9	0	0	0	122.2
1768	K	32.7	Very low	30.6	Very low	197 Å²	197	147.6 Å²	147.6	86%	0.857	76%	0.761	S	S	*	*				-164.6	167.7	90.8	-107.8	178	-177.9	177.8	0	114.2
1769	Q	31.3	Very low	30.4	Very low	169 Å²	169	148.2 Å²	148.2	79%	0.79	76%	0.763	S	S	*	*			trans	-68.2	169.4	-179.6	-58.9	139.4	-40.9	0	0	111.3
1770	Q	31.6	Very low	30.4	Very low	168 Å²	168	147.6 Å²	147.6	79%	0.785	76%	0.762	S	S	*	*			cis	-169.7	168	32.4	-154.9	173.1	-0.8	0	0	112.1
1771	I	32.1	Very low	30.3	Very low	137 Å²	137	147.8 Å²	147.8	70%	0.703	76%	0.763	S	S	*	*			trans	87	106.5	161.6	-54.3	174.3	0	0	0	118.7
1772	N	30.7	Very low	30.2	Very low	142 Å²	142	147 Å²	147	76%	0.759	76%	0.758	S	S	*	*			trans	57.5	129.3	144.1	-59.1	6.7	0	0	0	124.2
1773	N	29.4	Very low	29.9	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	76%	0.756	S	S	*	*			trans	58.5	107.7	153.1	-65.7	19	0	0	0	118.5
1774	Q	25.6	Very low	29.9	Very low	177 Å²	177	150 Å²	150	83%	0.827	76%	0.758	S	S	*	*			trans	-93.2	125.4	180	-61.2	161.9	-82.9	0	0	111.5
1775	S	29.1	Very low	29.9	Very low	112 Å²	112	145.2 Å²	145.2	78%	0.783	76%	0.756	S	S	*	*			trans	-135.6	128.1	146.7	48.2	0	0	0	0	106.8
1776	F	27.9	Very low	29.7	Very low	176 Å²	176	146.1 Å²	146.1	77%	0.772	76%	0.761	S	S	*	*			trans	-83.1	130.7	-171.1	-92.3	-89.9	0	0	0	111.6
1777	I	27.5	Very low	29.7	Very low	132 Å²	132	147.9 Å²	147.9	68%	0.677	77%	0.766	S	S	*	*			trans	-137.8	119.4	164.9	-58.7	177	0	0	0	105.9	I1779	I1777-I1779 HydrophobicContact CG2-CD1 3.82Å; I1777-I1779 HydrophobicContact CG2-CG1 3.76Å
1778	P	28	Very low	29.5	Very low	110 Å²	110	147.3 Å²	147.3	71%	0.714	76%	0.763	S	S	*	*				-135	126.2	125.6	32.4	-19.5	0	0	0	110.9
1779	I	29.3	Very low	29.2	Very low	137 Å²	137	145 Å²	145	70%	0.703	76%	0.76	S	S	*	*				75.1	106.6	60.6	-67.7	158.2	0	0	0	113	I1777	I1777-I1779 HydrophobicContact CG2-CD1 3.82Å; I1777-I1779 HydrophobicContact CG2-CG1 3.76Å
1780	N	27.7	Very low	29	Very low	132 Å²	132	146.3 Å²	146.3	71%	0.706	76%	0.759	S	S	*	*			trans	-30.6	140.1	158.6	-54.5	-28.6	0	0	0	115.6	I1782	N1780-I1782 HydrophobicContact CB-CD1 4.3Å; N1780-I1782 HydrophobicContact CB-CG1 4.4Å
1781	L	29.8	Very low	28.7	Very low	159 Å²	159	144.2 Å²	144.2	83%	0.832	75%	0.753	S	S	*	*				-151.2	119.3	118.3	-87.9	123.7	0	0	0	106.8
1782	I	28.1	Very low	28.4	Very low	118 Å²	118	144.2 Å²	144.2	61%	0.605	75%	0.752	S	S	*	*				84	126.1	57.8	-70.2	167.8	0	0	0	111.8	N1780	N1780-I1782 HydrophobicContact CB-CD1 4.3Å; N1780-I1782 HydrophobicContact CB-CG1 4.4Å
1783	E	27.7	Very low	28.2	Very low	169 Å²	169	145.6 Å²	145.6	79%	0.79	75%	0.751	S	S	*	*			trans	68.1	151.5	166.4	-73.5	168.1	-168.6	0	0	117
1784	L	28.8	Very low	28.2	Very low	158 Å²	158	143.2 Å²	143.2	83%	0.827	75%	0.747	S	S	*	*			cis	-155.4	140.2	5.5	-129.9	160.3	0	0	0	108.5
1785	G	32.3	Very low	28.4	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	75%	0.75	S	S	*	*			trans	174.9	29	-179.1	0	0	0	0	0	122
1786	D	27.9	Very low	28.6	Very low	154 Å²	154	145 Å²	145	82%	0.824	74%	0.743	S	S	*	*			trans	-59.7	137.1	165.3	-80.4	-59.7	0	0	0	111.4
1787	Q	30.6	Very low	28.5	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	75%	0.745	S	S	*	*				177.2	135.2	123.3	-95.3	163.5	56.6	0	0	116.5
1788	Q	30.9	Very low	28.5	Very low	156 Å²	156	143 Å²	143	73%	0.729	75%	0.75	S	S	*	*			trans	64.1	107.3	137.1	-64.7	170.9	35.1	0	0	121.5
1789	L	26.2	Very low	28.6	Very low	148 Å²	148	145.5 Å²	145.5	78%	0.775	75%	0.752	S	S	*	*				3	114	114.9	-74.9	147.7	0	0	0	116.5
1790	Y	27	Very low	28.5	Very low	197 Å²	197	143.3 Å²	143.3	77%	0.773	75%	0.749	S	S	*	*				172.9	147	103.4	-104.6	-76.9	0	0	0	114.8
1791	D	26	Very low	28.5	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	75%	0.749	S	S	*	*			trans	61.7	135.9	144.4	-87.6	-23.1	0	0	0	127.4
1792	M	26.1	Very low	28.4	Very low	136 Å²	136	143.7 Å²	143.7	67%	0.67	75%	0.747	S	S	*	*			trans	44.4	120	134.5	-61.4	-133	-170.5	0	0	124.2
1793	K	27.4	Very low	28.3	Very low	171 Å²	171	144.4 Å²	144.4	74%	0.743	75%	0.752	S	S	*	*				57.8	141.1	121.3	-59.8	-176.9	-179.8	173.3	0	122.5
1794	S	29.1	Very low	28.3	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	75%	0.746	S	S	*	*			trans	66.3	113.2	142	52.8	0	0	0	0	120.5
1795	Y	29.1	Very low	28.2	Very low	227 Å²	227	138.2 Å²	138.2	89%	0.89	73%	0.73	S	S	*	*			trans	-64.5	156.3	136.2	-84.3	-103.3	0	0	0	110.4
1796	P	33.6	Very low	28	Very low	99 Å²	99	143.9 Å²	143.9	64%	0.643	73%	0.728	S	S	*	*			cis	-135.7	172.6	-42.2	37.9	-22.4	0	0	0	111.9
1797	C	26.3	Very low	28	Very low	121 Å²	121	146.7 Å²	146.7	82%	0.818	73%	0.729	S	S	*	*			trans	44.8	116.5	162.5	-58.3	0	0	0	0	117.2
1798	D	27.8	Very low	28.2	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	73%	0.728	S	S	*	*				-160	180	66.6	-137.6	-25.4	0	0	0	114.8
1799	H	29.7	Very low	27.9	Very low	164 Å²	164	141.1 Å²	141.1	76%	0.759	72%	0.723	S	S	*	*			trans	-27.8	147.6	163.7	-74.3	-61.7	0	0	0	117
1800	S	27.4	Very low	28	Very low	91 Å²	91	140.2 Å²	140.2	64%	0.636	72%	0.723	S	S	*	*			cis	-175.9	155.2	8.2	48.3	0	0	0	0	115.1
1801	I	27.2	Very low	28	Very low	141 Å²	141	135.3 Å²	135.3	72%	0.723	72%	0.717	S	S	*	*			trans	62	103.9	134.2	-64.9	167.5	0	0	0	119.7
1802	M	26.7	Very low	28	Very low	158 Å²	158	134.9 Å²	134.9	78%	0.778	72%	0.715	S	S	*	*				67.7	128.9	129	-70.5	-174.2	168.2	0	0	124.4
1803	N	27.2	Very low	28.2	Very low	132 Å²	132	136.6 Å²	136.6	71%	0.706	72%	0.721	S	S	*	*				78.5	142.7	129.2	-64.7	-2.2	0	0	0	122.1
1804	D	27.2	Very low	28.3	Very low	127 Å²	127	132.5 Å²	132.5	68%	0.679	71%	0.714	S	S	*	*			trans	65.9	144.5	149.5	-95.5	33.2	0	0	0	119.3	R1806	D1804-R1806 IonicContact OD2-CZ 3.9Å; D1804-R1806 IonicContact OD2-NH2 3.23Å; D1804-R1806 PolarHBondContact OD2-NH2 2.8Å
1805	S	26.8	Very low	28.3	Very low	70 Å²	70	133.8 Å²	133.8	49%	0.49	71%	0.713	S	S	.	*			cis	-179.9	176.5	-18.6	47.7	0	0	0	0	110
1806	R	27.2	Very low	28.4	Very low	194 Å²	194	129.9 Å²	129.9	73%	0.732	71%	0.707	S	S	*	*			trans	71.6	124	153.8	-75	163.2	-97	-156.1	-8.1	118.7	D1804	D1804-R1806 IonicContact OD2-CZ 3.9Å; D1804-R1806 IonicContact OD2-NH2 3.23Å; D1804-R1806 PolarHBondContact OD2-NH2 2.8Å
1807	Y	29.3	Very low	28.3	Very low	213 Å²	213	129 Å²	129	84%	0.835	70%	0.703	S	S	*	*				11.4	152	126.2	-66.6	-84.8	0	0	0	119.8
1808	P	33.4	Very low	28.7	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	70%	0.699	S	S	*	*			cis	-122.8	170.4	24.6	16.7	9	0	0	0	113.6
1809	S	26	Very low	29	Very low	88 Å²	88	128.6 Å²	128.6	62%	0.615	69%	0.693	S	S	*	*			cis	79.8	149.6	33.9	105.7	0	0	0	0	115.7
1810	V	27.3	Very low	29.4	Very low	128 Å²	128	127 Å²	127	78%	0.776	69%	0.69	S	S	*	*			trans	61.7	153.2	-176.9	-109.2	0	0	0	0	115
1811	S	27	Very low	29.5	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	69%	0.689	S	S	*	*			cis	-150.2	132.7	7.9	60.4	0	0	0	0	116.8
1812	N	26.9	Very low	29.7	Very low	116 Å²	116	130.3 Å²	130.3	62%	0.62	70%	0.697	S	S	*	*				65.9	143.9	125.9	-58.6	0.1	0	0	0	124.2
1813	H	30.7	Very low	29.8	Very low	171 Å²	171	128.3 Å²	128.3	79%	0.792	69%	0.688	S	S	*	*			trans	82.1	136.5	150.5	-59.1	-42.9	0	0	0	119.4
1814	S	27.8	Very low	29.9	Very low	86 Å²	86	131.6 Å²	131.6	60%	0.601	69%	0.692	S	S	*	*			cis	-168	153.5	-17.1	53.4	0	0	0	0	113.2
1815	N	29.7	Very low	29.8	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	69%	0.691	S	S	*	*			trans	68.6	119.4	145.2	-64.8	-3.8	0	0	0	120.7
1816	N	30.9	Very low	29.9	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	70%	0.702	S	S	*	*				80.7	140.3	128.4	-66.8	-1.1	0	0	0	119.8
1817	S	32.3	Very low	29.8	Very low	81 Å²	81	132 Å²	132	57%	0.566	70%	0.699	S	S	*	*			cis	-173.6	155.8	-8.8	49.3	0	0	0	0	113.1
1818	N	34	Very low	29.9	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	70%	0.698	S	S	*	*			trans	72.6	145.7	147.9	-64.8	-2.7	0	0	0	117.8
1819	N	35	Very low	29.5	Very low	120 Å²	120	130.5 Å²	130.5	64%	0.642	70%	0.695	S	S	*	*			cis	-158.5	170	-3.2	-123.3	-6.9	0	0	0	114.6
1820	N	36.7	Very low	29.4	Very low	131 Å²	131	133.1 Å²	133.1	70%	0.701	70%	0.697	S	S	*	*			trans	71.2	108.7	169.2	-53.5	-8.5	0	0	0	114.4
1821	T	30.5	Very low	29.4	Very low	101 Å²	101	137 Å²	137	62%	0.62	70%	0.699	S	S	*	*			cis	64.2	136.8	40.6	86.8	0	0	0	0	112.8
1822	F	31	Very low	29.5	Very low	201 Å²	201	137.3 Å²	137.3	88%	0.882	70%	0.702	S	S	*	*			cis	-105.3	162.7	49.5	-90.5	-104.9	0	0	0	118.6
1823	I	28.2	Very low	29.4	Very low	116 Å²	116	140.2 Å²	140.2	60%	0.595	71%	0.712	S	S	*	*			trans	-143.1	146.9	175.5	-68.4	171.1	0	0	0	107.1	M1825	I1823-M1825 HydrophobicContact CG2-CE 4.48Å; I1823-M1825 HydrophobicContact CG2-CG 4.1Å
1824	Y	30.5	Very low	29.3	Very low	201 Å²	201	136.6 Å²	136.6	79%	0.788	71%	0.706	S	S	*	*			trans	172	123	144.1	-88.2	-68.7	0	0	0	105.6
1825	M	25.2	Very low	29.4	Very low	133 Å²	133	139.9 Å²	139.9	66%	0.655	71%	0.711	S	S	*	*			cis	85.2	136.8	37.9	-68.4	-159	-58.2	0	0	116	I1823	I1823-M1825 HydrophobicContact CG2-CE 4.48Å; I1823-M1825 HydrophobicContact CG2-CG 4.1Å
1826	I	28	Very low	29.3	Very low	139 Å²	139	140.1 Å²	140.1	71%	0.713	71%	0.708	S	S	*	*			trans	89.4	128.3	157.6	-65	149.1	0	0	0	119
1827	N	25.7	Very low	29.1	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	70%	0.701	S	S	*	*			trans	9.6	142.6	150.9	-46.9	-8.1	0	0	0	119.7
1828	D	30.3	Very low	28.9	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	71%	0.706	S	S	*	*				-146.3	155.7	65	-76.2	-36.4	0	0	0	112.5
1829	Q	25.8	Very low	28.6	Very low	141 Å²	141	142.9 Å²	142.9	66%	0.659	70%	0.702	S	S	*	*			cis	85.3	92	33.3	-75.7	-86.6	-31.4	0	0	116.9
1830	Q	24.7	Very low	28.4	Very low	143 Å²	143	143.9 Å²	143.9	67%	0.668	70%	0.702	S	S	*	*			trans	77	166.1	145.7	-60.4	-170.9	-3.9	0	0	121.2
1831	Y	27.3	Very low	27.9	Very low	209 Å²	209	144.3 Å²	144.3	82%	0.82	70%	0.7	S	S	*	*			trans	72.1	132.5	176.7	-62.4	-93.8	0	0	0	116.7
1832	S	27.6	Very low	27.8	Very low	103 Å²	103	145.2 Å²	145.2	72%	0.72	70%	0.701	S	S	*	*			cis	-157.9	159.1	-10.8	54.6	0	0	0	0	114.1
1833	Q	25.8	Very low	27.7	Very low	177 Å²	177	141 Å²	141	83%	0.827	69%	0.688	S	S	*	*			trans	-31.9	152.2	161.1	-60.9	158.8	-18.2	0	0	114.1
1834	S	28.1	Very low	27.7	Very low	95 Å²	95	141 Å²	141	66%	0.664	69%	0.689	S	S	*	*				-179	158.4	65.5	43.2	0	0	0	0	114.4
1835	H	29.8	Very low	27.6	Very low	155 Å²	155	137.6 Å²	137.6	72%	0.718	69%	0.685	S	S	*	*			trans	40.5	146.3	141.3	-58.9	-42.8	0	0	0	122.1
1836	H	28.3	Very low	28.1	Very low	138 Å²	138	138.6 Å²	138.6	64%	0.639	69%	0.693	S	S	*	*			cis	-166.9	157.1	-13.5	-121	-43.4	0	0	0	109.8
1837	H	27.1	Very low	28.3	Very low	137 Å²	137	137.2 Å²	137.2	63%	0.634	70%	0.695	S	S	*	*			trans	41.3	120.4	145.7	-76.5	-57.1	0	0	0	122.9
1838	H	27.4	Very low	28.8	Very low	145 Å²	145	136.4 Å²	136.4	67%	0.671	70%	0.697	S	S	*	*				88.2	137.2	123.2	-82.8	-53.7	0	0	0	123.9
1839	H	28.9	Very low	28.8	Very low	136 Å²	136	135.4 Å²	135.4	63%	0.63	70%	0.696	S	S	*	*			trans	85.9	127.2	141.1	-77.5	-51.3	0	0	0	120.6
1840	H	29	Very low	29.1	Very low	142 Å²	142	133 Å²	133	66%	0.657	70%	0.695	S	S	*	*				41.9	142.3	125.5	-60.8	-26.5	0	0	0	120.1
1841	Q	27.2	Very low	29.3	Very low	140 Å²	140	131.1 Å²	131.1	65%	0.654	69%	0.693	S	S	*	*			cis	-168.9	167.4	-2.9	-122	176.6	-50.6	0	0	108.9
1842	N	28.2	Very low	29.4	Very low	120 Å²	120	126.9 Å²	126.9	64%	0.642	69%	0.685	S	S	*	*			trans	69.9	138.5	141.3	-79.5	32.3	0	0	0	122.3
1843	N	28.4	Very low	29.3	Very low	113 Å²	113	128.2 Å²	128.2	60%	0.604	68%	0.678	S	S	*	*			trans	82.9	108.8	138.1	-74.4	52.3	0	0	0	121.7
1844	D	28.9	Very low	29.5	Very low	115 Å²	115	129.5 Å²	129.5	62%	0.615	70%	0.697	S	S	*	*				94.5	134.3	112.2	-66.3	0.3	0	0	0	122.5
1845	N	28.9	Very low	29.5	Very low	130 Å²	130	131.2 Å²	131.2	70%	0.695	70%	0.699	S	S	*	*			trans	59.1	108.8	143.3	-57.5	-23.5	0	0	0	117.8
1846	N	34.1	Very low	29.5	Very low	154 Å²	154	129.9 Å²	129.9	82%	0.824	70%	0.698	S	S	*	*				-171.6	155.2	60.4	-83.8	-66.1	0	0	0	114.2
1847	S	34	Very low	29.6	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	70%	0.701	S	S	*	*			trans	-57.6	167.6	156.6	-56	0	0	0	0	112.4
1848	P	35.5	Very low	29.8	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	71%	0.705	S	S	*	*			cis	-149.8	162	35.8	43.9	-23.1	0	0	0	120.8
1849	V	31.1	Very low	29.9	Very low	130 Å²	130	128.1 Å²	128.1	79%	0.788	71%	0.707	S	S	*	*				37.3	123.7	128.6	-171.8	0	0	0	0	116.7
1850	S	30.4	Very low	30	Very low	91 Å²	91	127.5 Å²	127.5	64%	0.636	71%	0.712	S	S	*	*				-171.5	151.6	73.2	-146.6	0	0	0	0	114.8
1851	T	29.9	Very low	30	Very low	103 Å²	103	126.5 Å²	126.5	63%	0.632	72%	0.716	S	S	*	*			trans	22.5	153.4	133	62.5	0	0	0	0	120.5
1852	D	29.3	Very low	30.3	Very low	119 Å²	119	125.5 Å²	125.5	64%	0.636	72%	0.721	S	S	*	*			cis	-179.5	174.2	1.6	-93.4	-4.3	0	0	0	104.1
1853	F	24.6	Very low	30.4	Very low	131 Å²	131	125.9 Å²	125.9	58%	0.575	73%	0.728	S	S	*	*			cis	-166.3	162	-14.2	-106.6	-42.2	0	0	0	104.2	Y410	Y410-F1853 HydrophobicContact CD1-CE2 4.43Å; Y410-F1853 HydrophobicContact CE1-CD2 4.43Å; Y410-F1853 AromaticContact CE1-CE2 3.64Å; Y410-F1853 HydrophobicContact CE1-CE2 3.64Å; Y410-F1853 HydrophobicContact CE1-CZ 4.19Å; Y410-F1853 AromaticContact CZ-CE2 3.94Å
1854	V	30.2	Very low	30.6	Very low	204 Å²	204	127.1 Å²	127.1	100%	1.236	74%	0.739	S	S	*	*			cis	-108.4	0	-7.8	166.4	0	0	0	0	108

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