A0A5K4F1R4_SCHMA Loading...

F-spondin AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1R4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,035 aa.

						>A0A5K4F1R4_SCHMA|A0A5K4F1R4
MLTIQWSSILYFLIFNNCANKLDGLKLSKLCTTLTVNLQSQISMNRNVSLMASLSSDMQPDLDQFKYQDKVMMDDNGFELRLRRVNDGVMIDQWYEPGRKYYVILTNRFHSVGFLDGLIWIEPSMNKEKMMMNIKMDSPIPVDSKSINGRLNPNKLTDNMNNCSSKELGEWIHLTNRDSNENILSDLWTTETAVTQTRLGCEGLTAEKITRTQRLVTKMIVIWKAPLKDKCGCININAAVQTHNEQREIFSATGGLTKTLCPSYTRPPSPVLPAYMLPANDRNVENSTKERTIKLPHDEFMHLDSMQPQDCCACGSASYKLTFTGMWTKITHPKDWPVHNPGALHWTNLIGASHSPSFQIYRMGEPASAGVQAVCTYGDTTVMKQSLGIAATNTGSLGGVPSGTQRGSAGVGPLLSLVSAPGMWGEEALEETRTTYVSVNRTHPLISFLTMLGPSPNWCTGISSQSVCQADCTWAKNIEIDLFPWDAGARNGDTYLPKNSDNKDVPEPIRFITRDWMPNSPFTPGVPVAKLTLERVLPIESWECTSKVYNGVELFNADGSTETVGSRPGNQSNKHSPIVQSVVGDLTGALPKKSRNKVGGGGAGGTRITSGGLGGDNPLSDPTLAQMALFLCITNSWSDWGSCSVTCGVGRRTRQRAMLINRKTELCQHVPLVEEESCDGIKRTCDFSAMCSLLPWTAWTPCNATCDQPHGWQTRTRYLARSSEKSYCEHIFQSETESNNGVLREMRECQPKETDCDPATICSEGRKDGIECGAVSAYYYSAVEHACLPFKYLGCKGGLNRFPTKEACESLCIPAVEALPNWRRERIALLQYQTAQLASDSNDLKSQQISPAKHCSQLMDPGYTCVDGKPPQSRWYFCPRLRRCRDFEYRGCGGNENNFETYYGCLSDCLPLEMEKLRQINKARMASMRKYTNNTSMIKNNASNNHTVISITKSMDDKNDVDSLGVIELQKLDDISGPKQDCIMTTWSGWSPCSVSCPHQKGTQSRWRYIEKPSMHGGNSCGSLFEKRECHGTSC
					

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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	47.4	Very low	48.2	Very low	185 Å²	185	120.2 Å²	120.2	91%	0.911	60%	0.602	S	S	*	*				0	-72.8	0	-74.6	-55.9	174.3	0	0	111.8	T3 I4 Q5	M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.04Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-Q5 PolarHBondContact O-N 3.15Å
2	L	47.3	Very low	47.7	Very low	133 Å²	133	122.8 Å²	122.8	70%	0.696	61%	0.607	S	S	*	*	H	α-helix	trans	-54.2	-40.6	177.8	-87.4	134.7	0	0	0	114.2	I4 Q5 W6	L2-I4 VanDerWaalsContact C-N 3.25Å; L2-I4 PolarHBondContact O-N 3.26Å; L2-Q5 PolarHBondContact O-N 2.73Å; L2-W6 PolarHBondContact O-N 3.1Å; L2-W6 VanDerWaalsContact O-N 3.08Å
3	T	49.4	Very low	47.3	Very low	111 Å²	111	121.2 Å²	121.2	68%	0.681	60%	0.601	S	S	*	*	H	α-helix	trans	-61.4	-29.4	175.8	46.6	0	0	0	0	114.1	M1 S7	M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.04Å; T3-S7 WeakPolarHBondContact O-CB 3.22Å; T3-S7 PolarHBondContact O-N 3.1Å; T3-S7 PolarHBondContact O-OG 3.4Å; T3-S7 VanDerWaalsContact O-OG 3.06Å
4	I	50.3	Low	46.8	Very low	100 Å²	100	118.7 Å²	118.7	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-80.6	-36.8	-178.7	-59.2	173.7	0	0	0	110.4	M1 L2 S7 S8	M1-I4 PolarHBondContact O-N 3.42Å; L2-I4 VanDerWaalsContact C-N 3.25Å; L2-I4 PolarHBondContact O-N 3.26Å; I4-S7 WeakPolarHBondContact CA-OG 3.24Å; I4-S7 PolarHBondContact O-OG 2.63Å; I4-S8 WeakPolarHBondContact O-CB 3.24Å; I4-S8 PolarHBondContact O-N 2.86Å; I4-S8 PolarHBondContact O-OG 3.11Å
5	Q	46.7	Very low	46.1	Very low	132 Å²	132	118.6 Å²	118.6	62%	0.617	59%	0.585	S	S	*	*	H	α-helix	trans	-65.5	-42.6	171	-84.6	-174.4	-35.8	0	0	111.9	M1 L2 S8 I9	M1-Q5 PolarHBondContact O-N 3.15Å; L2-Q5 PolarHBondContact O-N 2.73Å; Q5-S8 PolarHBondContact O-N 3.17Å; Q5-I9 WeakPolarHBondContact O-CB 3.46Å; Q5-I9 WeakPolarHBondContact O-CD1 3.23Å; Q5-I9 VanDerWaalsContact O-CG1 3.25Å; Q5-I9 WeakPolarHBondContact O-CG1 3.46Å; Q5-I9 PolarHBondContact O-N 3.23Å
6	W	49.2	Very low	45.5	Very low	188 Å²	188	117.3 Å²	117.3	71%	0.712	58%	0.581	S	S	*	*	H	α-helix	trans	-66.6	-40.7	177.2	-83.3	67.7	0	0	0	112.5	L2 I9 L10	L2-W6 PolarHBondContact O-N 3.1Å; L2-W6 VanDerWaalsContact O-N 3.08Å; W6-I9 PolarHBondContact O-N 3.04Å; W6-L10 VanDerWaalsContact O-CB 3.3Å; W6-L10 WeakPolarHBondContact O-CB 3.4Å; W6-L10 PolarHBondContact O-N 3.42Å
7	S	49.6	Very low	44.8	Very low	65 Å²	65	117.9 Å²	117.9	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-65.3	-37.8	173.2	57.3	0	0	0	0	112.3	T3 I4 L10 Y11	T3-S7 WeakPolarHBondContact O-CB 3.22Å; T3-S7 PolarHBondContact O-N 3.1Å; T3-S7 PolarHBondContact O-OG 3.4Å; T3-S7 VanDerWaalsContact O-OG 3.06Å; I4-S7 WeakPolarHBondContact CA-OG 3.24Å; I4-S7 PolarHBondContact O-OG 2.63Å; S7-L10 PolarHBondContact O-N 3.39Å; S7-Y11 WeakPolarHBondContact O-CB 3.21Å; S7-Y11 PolarHBondContact O-N 3.46Å
8	S	46.6	Very low	43.9	Very low	59 Å²	59	117.2 Å²	117.2	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-67	-41.1	175.5	-65.7	0	0	0	0	112.5	I4 Q5 Y11 F12	I4-S8 WeakPolarHBondContact O-CB 3.24Å; I4-S8 PolarHBondContact O-N 2.86Å; I4-S8 PolarHBondContact O-OG 3.11Å; Q5-S8 PolarHBondContact O-N 3.17Å; S8-Y11 PolarHBondContact O-N 2.93Å; S8-F12 WeakPolarHBondContact O-CB 3.24Å; S8-F12 WeakPolarHBondContact O-CD2 3.42Å; S8-F12 PolarHBondContact O-N 3.46Å
9	I	53.4	Low	43.1	Very low	98 Å²	98	115.1 Å²	115.1	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-65.1	-41.3	174.7	-68.8	163.1	0	0	0	110.2	Q5 W6 F12 L13	Q5-I9 WeakPolarHBondContact O-CB 3.46Å; Q5-I9 WeakPolarHBondContact O-CD1 3.23Å; Q5-I9 VanDerWaalsContact O-CG1 3.25Å; Q5-I9 WeakPolarHBondContact O-CG1 3.46Å; Q5-I9 PolarHBondContact O-N 3.23Å; W6-I9 PolarHBondContact O-N 3.04Å; I9-F12 PolarHBondContact O-N 2.9Å; I9-L13 HydrophobicContact CG2-CD1 3.82Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 VanDerWaalsContact O-CG 3.25Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.48Å
10	L	46	Very low	42.5	Very low	101 Å²	101	115.5 Å²	115.5	53%	0.529	60%	0.599	S	S	.	*	H	α-helix	trans	-68.1	-37	175.9	-155	77.1	0	0	0	111.9	W6 S7 L13 I14	W6-L10 VanDerWaalsContact O-CB 3.3Å; W6-L10 WeakPolarHBondContact O-CB 3.4Å; W6-L10 PolarHBondContact O-N 3.42Å; S7-L10 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-I14 HydrophobicContact CD2-CD1 4.02Å; L10-I14 HydrophobicContact CG-CD1 3.78Å; L10-I14 HydrophobicContact CG-CG1 4.41Å; L10-I14 VanDerWaalsContact O-CB 3.28Å; L10-I14 WeakPolarHBondContact O-CB 3.36Å; L10-I14 WeakPolarHBondContact O-CG1 3.22Å; L10-I14 PolarHBondContact O-N 3.33Å
11	Y	44	Very low	41.9	Very low	150 Å²	150	119.2 Å²	119.2	59%	0.588	61%	0.611	S	S	*	*	H	α-helix	trans	-64.5	-43.4	172.8	-135.7	-106.4	0	0	0	110.8	S7 S8 L13 I14 F15	S7-Y11 WeakPolarHBondContact O-CB 3.21Å; S7-Y11 PolarHBondContact O-N 3.46Å; S8-Y11 PolarHBondContact O-N 2.93Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 3.43Å; Y11-I14 PolarHBondContact O-N 3.18Å; Y11-F15 AromaticContact CD1-CD2 3.53Å; Y11-F15 HydrophobicContact CD1-CD2 3.53Å; Y11-F15 AromaticContact CD1-CE2 3.6Å; Y11-F15 HydrophobicContact CD1-CE2 3.6Å; Y11-F15 HydrophobicContact CD1-CG 4.3Å; Y11-F15 HydrophobicContact CD1-CZ 4.38Å; Y11-F15 HydrophobicContact CD2-CD2 4.46Å; Y11-F15 HydrophobicContact CD2-CE2 4.21Å; Y11-F15 AromaticContact CE1-CD2 3.59Å; Y11-F15 HydrophobicContact CE1-CD2 3.59Å; Y11-F15 HydrophobicContact CE1-CE1 4.34Å; Y11-F15 AromaticContact CE1-CE2 3.14Å; Y11-F15 HydrophobicContact CE1-CE2 3.14Å; Y11-F15 HydrophobicContact CE1-CG 4.37Å; Y11-F15 AromaticContact CE1-CZ 3.58Å; Y11-F15 HydrophobicContact CE1-CZ 3.58Å; Y11-F15 AromaticContact CE2-CE2 3.82Å; Y11-F15 HydrophobicContact CE2-CE2 3.82Å; Y11-F15 HydrophobicContact CG-CD2 4Å; Y11-F15 HydrophobicContact CG-CE2 4.11Å; Y11-F15 AromaticContact CZ-CE2 3.27Å; Y11-F15 AromaticContact CZ-CZ 3.73Å; Y11-F15 VanDerWaalsContact O-CB 3.32Å; Y11-F15 WeakPolarHBondContact O-CB 3.28Å; Y11-F15 WeakPolarHBondContact O-CD2 3.42Å; Y11-F15 PolarHBondContact O-N 2.91Å
12	F	42.7	Very low	40.9	Very low	151 Å²	151	118.4 Å²	118.4	66%	0.662	61%	0.609	S	S	*	*	H	α-helix	trans	-63.9	-33.5	173.4	-97.5	-84	0	0	0	113	S8 I9 N16	S8-F12 WeakPolarHBondContact O-CB 3.24Å; S8-F12 WeakPolarHBondContact O-CD2 3.42Å; S8-F12 PolarHBondContact O-N 3.46Å; I9-F12 PolarHBondContact O-N 2.9Å; F12-N16 VanDerWaalsContact O-CB 3.25Å; F12-N16 WeakPolarHBondContact O-CB 3.37Å; F12-N16 PolarHBondContact O-N 3.44Å; F12-N16 PolarHBondContact O-ND2 3.47Å
13	L	42.1	Very low	40.2	Very low	102 Å²	102	118.7 Å²	118.7	53%	0.534	61%	0.611	S	S	.	*	H	α-helix	trans	-80.2	-27	176.5	-71.6	168.5	0	0	0	113.4	I9 L10 Y11 N17	I9-L13 HydrophobicContact CG2-CD1 3.82Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 VanDerWaalsContact O-CG 3.25Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 3.43Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 3.43Å; L13-N17 PolarHBondContact O-ND2 2.91Å
14	I	40.6	Very low	39.6	Very low	87 Å²	87	114.9 Å²	114.9	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-85.2	-41.7	177.2	-69.5	169.9	0	0	0	111.1	L10 Y11 N17 C18	L10-I14 HydrophobicContact CD2-CD1 4.02Å; L10-I14 HydrophobicContact CG-CD1 3.78Å; L10-I14 HydrophobicContact CG-CG1 4.41Å; L10-I14 VanDerWaalsContact O-CB 3.28Å; L10-I14 WeakPolarHBondContact O-CB 3.36Å; L10-I14 WeakPolarHBondContact O-CG1 3.22Å; L10-I14 PolarHBondContact O-N 3.33Å; Y11-I14 PolarHBondContact O-N 3.18Å; I14-N17 PolarHBondContact O-N 3.36Å; I14-N17 VanDerWaalsContact O-N 3.14Å; I14-C18 PolarHBondContact O-N 3.41Å
15	F	35.9	Very low	39.6	Very low	117 Å²	117	112.5 Å²	112.5	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-71.8	-35.1	178.1	-85.6	-105.8	0	0	0	112.8	Y11 N17 C18 A19	Y11-F15 AromaticContact CD1-CD2 3.53Å; Y11-F15 HydrophobicContact CD1-CD2 3.53Å; Y11-F15 AromaticContact CD1-CE2 3.6Å; Y11-F15 HydrophobicContact CD1-CE2 3.6Å; Y11-F15 HydrophobicContact CD1-CG 4.3Å; Y11-F15 HydrophobicContact CD1-CZ 4.38Å; Y11-F15 HydrophobicContact CD2-CD2 4.46Å; Y11-F15 HydrophobicContact CD2-CE2 4.21Å; Y11-F15 AromaticContact CE1-CD2 3.59Å; Y11-F15 HydrophobicContact CE1-CD2 3.59Å; Y11-F15 HydrophobicContact CE1-CE1 4.34Å; Y11-F15 AromaticContact CE1-CE2 3.14Å; Y11-F15 HydrophobicContact CE1-CE2 3.14Å; Y11-F15 HydrophobicContact CE1-CG 4.37Å; Y11-F15 AromaticContact CE1-CZ 3.58Å; Y11-F15 HydrophobicContact CE1-CZ 3.58Å; Y11-F15 AromaticContact CE2-CE2 3.82Å; Y11-F15 HydrophobicContact CE2-CE2 3.82Å; Y11-F15 HydrophobicContact CG-CD2 4Å; Y11-F15 HydrophobicContact CG-CE2 4.11Å; Y11-F15 AromaticContact CZ-CE2 3.27Å; Y11-F15 AromaticContact CZ-CZ 3.73Å; Y11-F15 VanDerWaalsContact O-CB 3.32Å; Y11-F15 WeakPolarHBondContact O-CB 3.28Å; Y11-F15 WeakPolarHBondContact O-CD2 3.42Å; Y11-F15 PolarHBondContact O-N 2.91Å; F15-N17 PolarHBondContact O-N 3.38Å; F15-C18 PolarHBondContact O-N 2.04Å; F15-A19 PolarHBondContact O-N 3.48Å
16	N	36.8	Very low	40.1	Very low	98 Å²	98	113.7 Å²	113.7	52%	0.524	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-13.4	169.9	-79.7	-44.1	0	0	0	113.7	F12 N20	F12-N16 VanDerWaalsContact O-CB 3.25Å; F12-N16 WeakPolarHBondContact O-CB 3.37Å; F12-N16 PolarHBondContact O-N 3.44Å; F12-N16 PolarHBondContact O-ND2 3.47Å; N16-N20 PolarHBondContact O-ND2 3.06Å
17	N	34.2	Very low	40.9	Very low	128 Å²	128	106 Å²	106	68%	0.684	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-4	175.6	-87.3	-56.4	0	0	0	114.4	L13 I14 F15	L13-N17 PolarHBondContact O-ND2 2.91Å; I14-N17 PolarHBondContact O-N 3.36Å; I14-N17 VanDerWaalsContact O-N 3.14Å; F15-N17 PolarHBondContact O-N 3.38Å
18	C	27.9	Very low	41.7	Very low	105 Å²	105	106.1 Å²	106.1	71%	0.709	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-9.9	179.1	-70	0	0	0	0	115.1	I14 F15	I14-C18 PolarHBondContact O-N 3.41Å; F15-C18 PolarHBondContact O-N 2.04Å
19	A	29.7	Very low	42.8	Very low	77 Å²	77	111.5 Å²	111.5	64%	0.636	58%	0.575	S	S	*	*	S	Bend	trans	-95.9	-19.2	176	0	0	0	0	0	114.4	F15 K21	F15-A19 PolarHBondContact O-N 3.48Å; A19-K21 PolarHBondContact O-N 2.97Å
20	N	31.3	Very low	43.9	Very low	123 Å²	123	112 Å²	112	66%	0.658	58%	0.578	S	S	*	*			trans	-94.3	42.4	-169.2	-71.6	-43.2	0	0	0	114.2	N16	N16-N20 PolarHBondContact O-ND2 3.06Å
21	K	28.2	Very low	45.5	Very low	193 Å²	193	107.6 Å²	107.6	84%	0.839	56%	0.556	S	S	*	*	S	Bend	trans	-121.5	7.1	-174.6	-117.3	-179.9	-178	-178.9	0	116.6	A19	A19-K21 PolarHBondContact O-N 2.97Å
22	L	28.1	Very low	47.3	Very low	169 Å²	169	102.1 Å²	102.1	89%	0.885	54%	0.538	S	S	*	.	S	Bend	trans	-133	-11.4	175.6	-109.4	95.3	0	0	0	116.1
23	D	31	Very low	48.9	Very low	138 Å²	138	96.7 Å²	96.7	74%	0.738	52%	0.517	S	S	*	.	S	Bend	trans	-101.4	116.2	179.4	-81.3	-45.9	0	0	0	111.3
24	G	37.6	Very low	50.5	Low	31 Å²	31	92 Å²	92	32%	0.32	49%	0.493	S	S	.	.			trans	-65.4	151.2	174.6	0	0	0	0	0	112.5	K26 M125	G24-K26 PolarHBondContact O-N 3.29Å; G24-M125 VanDerWaalsContact O-CE 3.3Å; G24-M125 WeakPolarHBondContact O-CE 3.34Å
25	L	50.6	Low	51.9	Low	50 Å²	50	88.6 Å²	88.6	26%	0.262	48%	0.476	S	S	.	.			trans	-35.1	85	-169.1	-153.4	97.6	0	0	0	115.8	P123 L168 L204	L25-P123 HydrophobicContact CB-CG 4.11Å; L25-P123 WeakPolarHBondContact O-CD 3.2Å; L25-L168 HydrophobicContact CD2-CD1 3.88Å; L25-L204 HydrophobicContact CD2-CD1 4.16Å
26	K	56.6	Low	53.2	Low	157 Å²	157	84.7 Å²	84.7	68%	0.683	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-95.7	129.3	167	-97.8	177.9	175.4	168.2	0	109	G24	G24-K26 PolarHBondContact O-N 3.29Å
27	L	65.8	Low	54.3	Low	27 Å²	27	82 Å²	82	14%	0.141	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.6	172.5	-84.2	77.4	0	0	0	110	C31 T32 W120 I121 E122 L204 T205	L27-C31 HydrophobicContact CB-CB 4.12Å; L27-C31 HydrophobicContact CD2-CB 3.77Å; L27-C31 HydrophobicContact CG-CB 4.39Å; L27-T32 HydrophobicContact CB-CG2 4.1Å; L27-W120 HydrophobicContact CD2-CB 4.33Å; L27-I121 WeakPolarHBondContact CD1-O 3.28Å; L27-E122 HydrophobicContact CD1-CG 3.7Å; L27-L204 HydrophobicContact CD1-CD1 3.87Å; L27-L204 HydrophobicContact CD2-CB 4.08Å; L27-L204 HydrophobicContact CG-CD1 4.45Å; L27-T205 HydrophobicContact CD2-CG2 3.95Å
28	S	65.9	Low	55.5	Low	68 Å²	68	77.2 Å²	77.2	48%	0.476	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-57.1	145.6	170.2	177.5	0	0	0	0	110.3	L30 C31	S28-L30 PolarHBondContact O-N 2.75Å; S28-C31 WeakPolarHBondContact O-CA 3.3Å; S28-C31 WeakPolarHBondContact O-CB 3.22Å; S28-C31 PolarHBondContact O-N 3.46Å
29	K	70.8	Confident	56.8	Low	172 Å²	172	77.3 Å²	77.3	75%	0.748	41%	0.411	S	S	*	.	H	α-helix	trans	-52	-31.4	175.1	-75.3	-173	173.5	-174.3	0	112.9	C31 T32 T33	K29-C31 PolarHBondContact O-N 2.86Å; K29-T32 PolarHBondContact O-N 2.85Å; K29-T32 PolarHBondContact O-OG1 2.83Å; K29-T33 WeakPolarHBondContact O-CB 3.07Å; K29-T33 PolarHBondContact O-N 2.89Å; K29-T33 VanDerWaalsContact O-N 3.11Å; K29-T33 PolarHBondContact O-OG1 3.18Å
30	L	75.8	Confident	57.8	Low	109 Å²	109	75.9 Å²	75.9	57%	0.571	40%	0.397	S	S	*	.	H	α-helix	trans	-57.3	-26.7	172.8	-94.6	139.7	0	0	0	113.9	S28 L38 R198	S28-L30 PolarHBondContact O-N 2.75Å; L30-L38 HydrophobicContact CD2-CD2 3.57Å; L30-L38 HydrophobicContact CG-CD2 4.37Å; L30-R198 PolarHBondContact O-NH1 3.03Å
31	C	81	Confident	58.4	Low	8 Å²	8	75.2 Å²	75.2	5%	0.054	39%	0.39	C	S	.	.	H	α-helix	trans	-94.9	-14.1	179.7	-62.1	0	0	0	0	113.7	L27 S28 K29 C201 T205	L27-C31 HydrophobicContact CB-CB 4.12Å; L27-C31 HydrophobicContact CD2-CB 3.77Å; L27-C31 HydrophobicContact CG-CB 4.39Å; S28-C31 WeakPolarHBondContact O-CA 3.3Å; S28-C31 WeakPolarHBondContact O-CB 3.22Å; S28-C31 PolarHBondContact O-N 3.46Å; K29-C31 PolarHBondContact O-N 2.86Å; C31-C201 WeakPolarHBondContact CA-SG 3.46Å; C31-C201 HydrophobicContact CB-CB 3.73Å; C31-C201 WeakPolarHBondContact CB-SG 3.04Å; C31-C201 WeakPolarHBondContact SG-CA 3.05Å; C31-C201 WeakPolarHBondContact SG-CB 3.07Å; C31-C201 CovalentContact SG-SG 2.03Å; C31-C201 PolarHBondContact SG-SG 2.03Å; C31-T205 HydrophobicContact CB-CG2 4.05Å; C31-T205 WeakPolarHBondContact O-CG2 3.4Å
32	T	81	Confident	59.1	Low	34 Å²	34	70.6 Å²	70.6	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-106.5	-0.5	178.1	69.4	0	0	0	0	113.1	L27 K29 W120	L27-T32 HydrophobicContact CB-CG2 4.1Å; K29-T32 PolarHBondContact O-N 2.85Å; K29-T32 PolarHBondContact O-OG1 2.83Å; T32-W120 HydrophobicContact CG2-CD2 4.44Å; T32-W120 HydrophobicContact CG2-CZ2 4.32Å
33	T	76.9	Confident	59.6	Low	37 Å²	37	65.4 Å²	65.4	23%	0.227	35%	0.351	C	S	.	.	S	Bend	trans	-97.7	136.7	179.4	-63.4	0	0	0	0	111.2	K29 N37 L38 R198	K29-T33 WeakPolarHBondContact O-CB 3.07Å; K29-T33 PolarHBondContact O-N 2.89Å; K29-T33 VanDerWaalsContact O-N 3.11Å; K29-T33 PolarHBondContact O-OG1 3.18Å; T33-N37 HydrophobicContact CG2-CB 3.62Å; T33-L38 HydrophobicContact CG2-CG 4.27Å; T33-R198 PolarHBondContact O-NH1 3.38Å; T33-R198 PolarHBondContact O-NH2 3.19Å; T33-R198 VanDerWaalsContact O-NH2 3.17Å
34	L	75.3	Confident	60	Low	4 Å²	4	65 Å²	65	2%	0.021	35%	0.346	C	S	.	.			trans	-61.9	150.6	177.9	-77.9	162.2	0	0	0	112.6	V36 N37 L38 D116 L118 A239 Q241 I249	L34-V36 VanDerWaalsContact C-N 3.26Å; L34-V36 PolarHBondContact O-N 3.39Å; L34-N37 PolarHBondContact O-N 2.81Å; L34-N37 VanDerWaalsContact O-N 3.09Å; L34-L38 PolarHBondContact O-N 3.46Å; L34-D116 HydrophobicContact CD2-CB 4.23Å; L34-L118 HydrophobicContact CD2-CB 3.7Å; L34-A239 HydrophobicContact CD1-CB 4.08Å; L34-A239 HydrophobicContact CD2-CB 4.27Å; L34-A239 HydrophobicContact CG-CB 4.01Å; L34-Q241 HydrophobicContact CD1-CB 4.08Å; L34-I249 HydrophobicContact CD1-CB 4.46Å; L34-I249 HydrophobicContact CD1-CD1 4.25Å; L34-I249 HydrophobicContact CD1-CG1 4.06Å; L34-I249 HydrophobicContact CD1-CG2 3.68Å
35	T	69.6	Low	60	Low	15 Å²	15	69.1 Å²	69.1	9%	0.092	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-35.4	-172.8	-52.9	0	0	0	0	111.6	N37 L38 Q39 D116 R198 E207 T210	T35-N37 VanDerWaalsContact C-N 3.33Å; T35-N37 PolarHBondContact O-N 2.76Å; T35-L38 PolarHBondContact O-N 3.38Å; T35-Q39 WeakPolarHBondContact O-CG 3.45Å; T35-Q39 PolarHBondContact O-N 3Å; T35-D116 WeakPolarHBondContact CB-OD2 3.33Å; T35-D116 PolarHBondContact N-OD2 3.1Å; T35-R198 PolarHBondContact OG1-NH2 2.87Å; T35-E207 PolarHBondContact OG1-OE2 3.3Å; T35-E207 VanDerWaalsContact OG1-OE2 3.1Å; T35-T210 HydrophobicContact CG2-CG2 4.01Å
36	V	63.7	Low	59.4	Low	36 Å²	36	75.5 Å²	75.5	22%	0.218	38%	0.382	C	S	.	.	H	α-helix	trans	-63.3	-35.5	176.5	177.9	0	0	0	0	112.5	L34 Q39 S40 D116	L34-V36 VanDerWaalsContact C-N 3.26Å; L34-V36 PolarHBondContact O-N 3.39Å; V36-Q39 PolarHBondContact O-N 3.13Å; V36-S40 PolarHBondContact O-N 2.65Å; V36-D116 HydrophobicContact CG2-CB 3.98Å; V36-D116 PolarHBondContact N-OD2 3.18Å
37	N	59.9	Low	58.6	Low	40 Å²	40	72.8 Å²	72.8	21%	0.214	38%	0.375	C	S	.	.	H	α-helix	trans	-73.6	-33.5	176.5	-76.1	12.5	0	0	0	112	T33 L34 T35 Q39 S40 Q41 I249	T33-N37 HydrophobicContact CG2-CB 3.62Å; L34-N37 PolarHBondContact O-N 2.81Å; L34-N37 VanDerWaalsContact O-N 3.09Å; T35-N37 VanDerWaalsContact C-N 3.33Å; T35-N37 PolarHBondContact O-N 2.76Å; N37-Q39 VanDerWaalsContact C-N 3.34Å; N37-S40 PolarHBondContact O-N 2.82Å; N37-S40 PolarHBondContact O-OG 3.15Å; N37-Q41 WeakPolarHBondContact O-CG 3.36Å; N37-Q41 PolarHBondContact O-N 2.79Å; N37-I249 WeakPolarHBondContact ND2-CD1 3.35Å
38	L	59	Low	57.4	Low	28 Å²	28	76 Å²	76	15%	0.147	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-40.8	171.3	-73.7	161.6	0	0	0	111.1	L30 T33 L34 T35 Q41 I42	L30-L38 HydrophobicContact CD2-CD2 3.57Å; L30-L38 HydrophobicContact CG-CD2 4.37Å; T33-L38 HydrophobicContact CG2-CG 4.27Å; L34-L38 PolarHBondContact O-N 3.46Å; T35-L38 PolarHBondContact O-N 3.38Å; L38-Q41 PolarHBondContact O-N 3.01Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CD1 3.33Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 2.02Å
39	Q	55.9	Low	55.9	Low	107 Å²	107	77.6 Å²	77.6	50%	0.5	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-37.3	175.5	-72	179.1	-9.2	0	0	112.8	T35 V36 N37 I42 S43	T35-Q39 WeakPolarHBondContact O-CG 3.45Å; T35-Q39 PolarHBondContact O-N 3Å; V36-Q39 PolarHBondContact O-N 3.13Å; N37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-I42 PolarHBondContact O-N 3.08Å; Q39-S43 PolarHBondContact O-N 2.03Å; Q39-S43 PolarHBondContact O-OG 3.5Å
40	S	49.3	Very low	54.3	Low	48 Å²	48	75.6 Å²	75.6	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-69.7	-38.7	175.8	69.7	0	0	0	0	112.8	V36 N37 S43 M44	V36-S40 PolarHBondContact O-N 2.65Å; N37-S40 PolarHBondContact O-N 2.82Å; N37-S40 PolarHBondContact O-OG 3.15Å; S40-S43 PolarHBondContact O-N 3.45Å; S40-S43 PolarHBondContact O-OG 2.83Å; S40-S43 VanDerWaalsContact O-OG 3.05Å; S40-M44 WeakPolarHBondContact O-CB 3.24Å; S40-M44 WeakPolarHBondContact O-CG 2.98Å; S40-M44 PolarHBondContact O-N 2.8Å
41	Q	43.7	Very low	52.4	Low	108 Å²	108	77.8 Å²	77.8	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-67.1	-35.7	174.2	-72	-177.7	-5.3	0	0	112.4	N37 L38 N45	N37-Q41 WeakPolarHBondContact O-CG 3.36Å; N37-Q41 PolarHBondContact O-N 2.79Å; L38-Q41 PolarHBondContact O-N 3.01Å; Q41-N45 WeakPolarHBondContact O-CB 3.39Å; Q41-N45 PolarHBondContact O-N 3.26Å; Q41-N45 PolarHBondContact O-ND2 3.35Å
42	I	44.6	Very low	50.2	Low	97 Å²	97	81.8 Å²	81.8	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-72	-36.6	176.3	-67.2	164.1	0	0	0	111.5	L38 Q39 R46	L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CD1 3.33Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 2.02Å; Q39-I42 PolarHBondContact O-N 3.08Å; I42-R46 WeakPolarHBondContact O-CG 2.98Å; I42-R46 PolarHBondContact O-N 2.97Å; I42-R46 VanDerWaalsContact O-N 3.11Å
43	S	38.5	Very low	48.2	Very low	59 Å²	59	84.6 Å²	84.6	41%	0.413	47%	0.467	S	S	.	.	H	α-helix	trans	-72.5	-39.2	175.6	68.7	0	0	0	0	112.3	Q39 S40 R46 N47	Q39-S43 PolarHBondContact O-N 2.03Å; Q39-S43 PolarHBondContact O-OG 3.5Å; S40-S43 PolarHBondContact O-N 3.45Å; S40-S43 PolarHBondContact O-OG 2.83Å; S40-S43 VanDerWaalsContact O-OG 3.05Å; S43-R46 PolarHBondContact O-N 2.96Å; S43-N47 PolarHBondContact O-N 3.36Å
44	M	38.3	Very low	46.2	Very low	130 Å²	130	89.6 Å²	89.6	64%	0.64	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-45.5	172.8	-75.6	-177.1	173.4	0	0	111.7	S40 R46 N47 V48	S40-M44 WeakPolarHBondContact O-CB 3.24Å; S40-M44 WeakPolarHBondContact O-CG 2.98Å; S40-M44 PolarHBondContact O-N 2.8Å; M44-R46 VanDerWaalsContact C-N 3.27Å; M44-R46 PolarHBondContact O-N 3.18Å; M44-N47 PolarHBondContact O-N 2.75Å; M44-N47 VanDerWaalsContact O-N 3.16Å; M44-V48 WeakPolarHBondContact O-CB 3.23Å; M44-V48 VanDerWaalsContact O-CG2 3.27Å; M44-V48 WeakPolarHBondContact O-CG2 2.98Å; M44-V48 PolarHBondContact O-N 3.5Å
45	N	38.8	Very low	44.3	Very low	117 Å²	117	95 Å²	95	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-29.2	176.2	-79.3	-25.4	0	0	0	113.2	Q41 S49	Q41-N45 WeakPolarHBondContact O-CB 3.39Å; Q41-N45 PolarHBondContact O-N 3.26Å; Q41-N45 PolarHBondContact O-ND2 3.35Å; N45-S49 VanDerWaalsContact O-CB 3.32Å; N45-S49 WeakPolarHBondContact O-CB 3.36Å; N45-S49 PolarHBondContact O-N 2.92Å
46	R	37.7	Very low	42.4	Very low	185 Å²	185	98.8 Å²	98.8	70%	0.698	56%	0.557	S	S	*	*	H	α-helix	trans	-72	-38.5	171.7	-78.6	-179.2	173.6	-170.6	-1.8	113.1	I42 S43 M44 L50	I42-R46 WeakPolarHBondContact O-CG 2.98Å; I42-R46 PolarHBondContact O-N 2.97Å; I42-R46 VanDerWaalsContact O-N 3.11Å; S43-R46 PolarHBondContact O-N 2.96Å; M44-R46 VanDerWaalsContact C-N 3.27Å; M44-R46 PolarHBondContact O-N 3.18Å; R46-L50 PolarHBondContact O-N 3.14Å
47	N	39.3	Very low	40.9	Very low	100 Å²	100	104 Å²	104	54%	0.535	58%	0.583	S	S	.	*	H	α-helix	trans	-79.7	-34.7	179.5	-74.2	-4.1	0	0	0	112.9	S43 M44 S49 L50 M51	S43-N47 PolarHBondContact O-N 3.36Å; M44-N47 PolarHBondContact O-N 2.75Å; M44-N47 VanDerWaalsContact O-N 3.16Å; N47-S49 VanDerWaalsContact C-N 3.28Å; N47-S49 PolarHBondContact O-N 3.42Å; N47-L50 PolarHBondContact O-N 2.69Å; N47-M51 WeakPolarHBondContact O-CB 3.46Å; N47-M51 WeakPolarHBondContact O-CG 3.41Å; N47-M51 PolarHBondContact O-N 3.49Å
48	V	40.2	Very low	39.6	Very low	95 Å²	95	110.9 Å²	110.9	58%	0.576	62%	0.616	S	S	*	*	H	α-helix	trans	-65.3	-34.4	172.4	172.6	0	0	0	0	110.6	M44 L50 A52	M44-V48 WeakPolarHBondContact O-CB 3.23Å; M44-V48 VanDerWaalsContact O-CG2 3.27Å; M44-V48 WeakPolarHBondContact O-CG2 2.98Å; M44-V48 PolarHBondContact O-N 3.5Å; V48-L50 PolarHBondContact O-N 2.71Å; V48-A52 WeakPolarHBondContact O-CB 3.39Å; V48-A52 PolarHBondContact O-N 2.84Å
49	S	35.8	Very low	38.5	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	65%	0.651	S	S	*	*	H	α-helix	trans	-70.2	-14	170.1	-173.7	0	0	0	0	114.5	N45 N47	N45-S49 VanDerWaalsContact O-CB 3.32Å; N45-S49 WeakPolarHBondContact O-CB 3.36Å; N45-S49 PolarHBondContact O-N 2.92Å; N47-S49 VanDerWaalsContact C-N 3.28Å; N47-S49 PolarHBondContact O-N 3.42Å
50	L	36.6	Very low	37.6	Very low	130 Å²	130	118.3 Å²	118.3	68%	0.681	66%	0.66	S	S	*	*	H	α-helix	trans	-101.2	-33.8	179.1	-134.3	84.6	0	0	0	112.4	R46 N47 V48 S53	R46-L50 PolarHBondContact O-N 3.14Å; N47-L50 PolarHBondContact O-N 2.69Å; V48-L50 PolarHBondContact O-N 2.71Å; L50-S53 PolarHBondContact O-OG 3.24Å
51	M	36.2	Very low	36.6	Very low	155 Å²	155	123.2 Å²	123.2	76%	0.764	68%	0.682	S	S	*	*	H	α-helix	trans	-84.6	-18	-177.8	-68.7	-93.4	179.7	0	0	113.5	N47 S53	N47-M51 WeakPolarHBondContact O-CB 3.46Å; N47-M51 WeakPolarHBondContact O-CG 3.41Å; N47-M51 PolarHBondContact O-N 3.49Å; M51-S53 PolarHBondContact O-N 2.72Å
52	A	34.9	Very low	35.9	Very low	93 Å²	93	125.9 Å²	125.9	77%	0.769	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	20.7	178	0	0	0	0	0	114.9	V48	V48-A52 WeakPolarHBondContact O-CB 3.39Å; V48-A52 PolarHBondContact O-N 2.84Å
53	S	37.5	Very low	35.1	Very low	92 Å²	92	129 Å²	129	64%	0.643	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	-4	-173.7	62.9	0	0	0	0	114.6	L50 M51	L50-S53 PolarHBondContact O-OG 3.24Å; M51-S53 PolarHBondContact O-N 2.72Å
54	L	35.5	Very low	34.7	Very low	142 Å²	142	135 Å²	135	74%	0.743	74%	0.738	S	S	*	*	S	Bend	trans	-133	111.4	-172.7	-77.7	165.5	0	0	0	113.3
55	S	34.9	Very low	34.2	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	75%	0.753	S	S	*	*			trans	60.5	127.6	157.8	47.4	0	0	0	0	120.3
56	S	30.6	Very low	33.6	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	76%	0.758	S	S	*	*			trans	-70.9	176.2	165.5	50.5	0	0	0	0	113.3
57	D	32.6	Very low	33.1	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	77%	0.771	S	S	*	*			trans	80.6	74.9	159.2	-49.5	-49.2	0	0	0	118.3
58	M	32.7	Very low	32.6	Very low	186 Å²	186	146.6 Å²	146.6	92%	0.916	78%	0.777	S	S	*	*			trans	-167	122.9	133.9	-106.1	172.9	76.7	0	0	112.3
59	Q	34.7	Very low	32.3	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	79%	0.786	S	S	*	*			trans	-96.5	158.1	151.2	-90.6	160.8	-102.9	0	0	107.4
60	P	36.5	Very low	32.3	Very low	105 Å²	105	151.9 Å²	151.9	68%	0.682	79%	0.787	S	S	*	*			cis	-120.1	-166.8	25.2	38.4	-18.4	0	0	0	111.6
61	D	28.5	Very low	32.6	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	78%	0.779	S	S	*	*			cis	-152.3	158.1	34	-107.7	-41.8	0	0	0	113.7	D63	D61-D63 PolarHBondContact O-N 2.91Å
62	L	29.7	Very low	32.9	Very low	165 Å²	165	144.9 Å²	144.9	86%	0.864	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	71.9	-171	-173.6	78.5	0	0	0	112.8
63	D	27.8	Very low	33.5	Very low	163 Å²	163	149.5 Å²	149.5	87%	0.872	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.7	1.6	167	-113.4	-25.1	0	0	0	118.2	D61	D61-D63 PolarHBondContact O-N 2.91Å
64	Q	29.5	Very low	34.6	Very low	183 Å²	183	149.5 Å²	149.5	86%	0.855	76%	0.755	S	S	*	*			trans	-106.2	1.4	-164.2	-136.2	167.3	18.7	0	0	117.7	K66	Q64-K66 PolarHBondContact O-N 2.92Å
65	F	28.2	Very low	36.3	Very low	219 Å²	219	143.7 Å²	143.7	96%	0.961	73%	0.725	S	S	*	*			trans	-94.3	43.2	-177.1	-95.6	-82.2	0	0	0	115
66	K	27	Very low	38.1	Very low	169 Å²	169	141.3 Å²	141.3	74%	0.735	70%	0.703	S	S	*	*			trans	-120.3	31.7	-179.2	-141.3	177.2	-171.2	176.3	0	115.3	Q64 Q68	Q64-K66 PolarHBondContact O-N 2.92Å; K66-Q68 PolarHBondContact O-N 2.69Å
67	Y	27	Very low	40.2	Very low	244 Å²	244	137.1 Å²	137.1	96%	0.957	68%	0.675	S	S	*	*			trans	-78.7	69.5	162.2	-105.5	-90.2	0	0	0	110.3
68	Q	27.8	Very low	42.7	Very low	145 Å²	145	130.3 Å²	130.3	68%	0.678	64%	0.639	S	S	*	*			trans	-75.8	144.2	167.7	-70	176	-88.7	0	0	109.7	K66 K70	K66-Q68 PolarHBondContact O-N 2.69Å; Q68-K70 PolarHBondContact O-N 3.04Å
69	D	35.3	Very low	45.4	Very low	140 Å²	140	122.9 Å²	122.9	75%	0.749	60%	0.602	S	S	*	*			trans	-52	98.2	173.5	-75.1	-53	0	0	0	111.1	V71	D69-V71 PolarHBondContact O-N 2.83Å
70	K	35	Very low	47.9	Very low	166 Å²	166	114.1 Å²	114.1	72%	0.722	56%	0.561	S	S	*	*			trans	-84.1	68.4	-179.2	-161	178.4	-178.5	-174.1	0	110.1	Q68 M72	Q68-K70 PolarHBondContact O-N 3.04Å; K70-M72 HydrophobicContact CD-CE 3.86Å; K70-M72 HydrophobicContact CD-SD 4.27Å; K70-M72 HydrophobicContact CG-CE 4.25Å; K70-M72 HydrophobicContact CG-SD 4.15Å; K70-M72 PolarHBondContact O-N 2.88Å; K70-M72 VanDerWaalsContact O-N 3.08Å
71	V	43.3	Very low	50.4	Low	86 Å²	86	112.6 Å²	112.6	52%	0.521	54%	0.542	S	S	.	.			trans	-61.7	108.2	167.5	-177.6	0	0	0	0	107.4	D69	D69-V71 PolarHBondContact O-N 2.83Å
72	M	42.6	Very low	53.1	Low	52 Å²	52	105.5 Å²	105.5	26%	0.256	50%	0.504	S	S	.	.			trans	-72.4	131.5	179.5	-63.9	-67.4	-166.8	0	0	109.3	K70 D74 F250	K70-M72 HydrophobicContact CD-CE 3.86Å; K70-M72 HydrophobicContact CD-SD 4.27Å; K70-M72 HydrophobicContact CG-CE 4.25Å; K70-M72 HydrophobicContact CG-SD 4.15Å; K70-M72 PolarHBondContact O-N 2.88Å; K70-M72 VanDerWaalsContact O-N 3.08Å; M72-D74 PolarHBondContact O-N 3.45Å; M72-F250 HydrophobicContact CB-CD1 4.26Å; M72-F250 HydrophobicContact CB-CE1 4.01Å; M72-F250 HydrophobicContact CG-CE1 4.45Å
73	M	47.8	Very low	55.5	Low	190 Å²	190	100.8 Å²	100.8	94%	0.936	47%	0.474	S	S	*	.	S	Bend	trans	-78.6	54	175.5	-74.3	-171.8	158.7	0	0	112
74	D	60	Low	57.7	Low	91 Å²	91	93.4 Å²	93.4	49%	0.487	43%	0.434	S	S	.	.			trans	-140.2	159.3	-179.6	-160.7	-23.1	0	0	0	108.8	M72 N76 F250 T253	M72-D74 PolarHBondContact O-N 3.45Å; D74-N76 PolarHBondContact OD1-N 2.97Å; D74-F250 HydrophobicContact CB-CD1 4.42Å; D74-F250 HydrophobicContact CB-CE1 4.34Å; D74-T253 PolarHBondContact O-OG1 2.96Å
75	D	70.6	Confident	59.9	Low	20 Å²	20	86.4 Å²	86.4	11%	0.107	40%	0.404	C	S	.	.			trans	-98.9	-16.9	169.2	74	21	0	0	0	112.6	G77 F78 R108 T253 G255	D75-G77 PolarHBondContact O-N 3.05Å; D75-G77 VanDerWaalsContact O-N 3.13Å; D75-G77 WeakPolarHBondContact OD1-CA 3.06Å; D75-G77 PolarHBondContact OD1-N 2.82Å; D75-F78 WeakPolarHBondContact O-CB 3.37Å; D75-F78 WeakPolarHBondContact O-CD2 3.41Å; D75-F78 PolarHBondContact O-N 3.04Å; D75-R108 IonicContact OD2-CZ 2.8Å; D75-R108 IonicContact OD2-NH2 3.31Å; D75-R108 PolarHBondContact OD2-NH2 2.8Å; D75-T253 WeakPolarHBondContact CB-O 3.32Å; D75-G255 PolarHBondContact OD2-N 2.98Å
76	N	73.7	Confident	61.4	Low	68 Å²	68	81.4 Å²	81.4	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	34.3	-176.6	-163.8	12.7	0	0	0	113.1	D74 F78 N107 F250	D74-N76 PolarHBondContact OD1-N 2.97Å; N76-F78 VanDerWaalsContact C-N 3.25Å; N76-F78 HydrophobicContact CB-CD2 4.28Å; N76-F78 PolarHBondContact O-N 2.91Å; N76-N107 PolarHBondContact O-ND2 3.34Å; N76-F250 HydrophobicContact CB-CD1 3.93Å; N76-F250 HydrophobicContact CB-CD2 4.26Å; N76-F250 HydrophobicContact CB-CE1 3.66Å; N76-F250 HydrophobicContact CB-CE2 4.03Å; N76-F250 HydrophobicContact CB-CG 4.23Å; N76-F250 HydrophobicContact CB-CZ 3.72Å; N76-F250 WeakPolarHBondContact ND2-CE2 3.28Å; N76-F250 VanDerWaalsContact ND2-CZ 3.35Å; N76-F250 WeakPolarHBondContact ND2-CZ 3.39Å
77	G	74.3	Confident	62.5	Low	8 Å²	8	76.4 Å²	76.4	8%	0.082	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	2	-175.6	0	0	0	0	0	115.1	D75 N107 R108	D75-G77 PolarHBondContact O-N 3.05Å; D75-G77 VanDerWaalsContact O-N 3.13Å; D75-G77 WeakPolarHBondContact OD1-CA 3.06Å; D75-G77 PolarHBondContact OD1-N 2.82Å; G77-N107 CarbonylContact O-C 3.38Å; G77-N107 WeakPolarHBondContact O-CA 3.48Å; G77-N107 PolarHBondContact O-OD1 2.9Å; G77-R108 WeakPolarHBondContact O-CG 3.36Å; G77-R108 PolarHBondContact O-N 3.26Å
78	F	84.2	Confident	63.8	Low	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137	172	-66.6	-79.9	0	0	0	111.1	D75 N76 T106 N107 V112 F114 V240 T242 F250 G255 L256	D75-F78 WeakPolarHBondContact O-CB 3.37Å; D75-F78 WeakPolarHBondContact O-CD2 3.41Å; D75-F78 PolarHBondContact O-N 3.04Å; N76-F78 VanDerWaalsContact C-N 3.25Å; N76-F78 HydrophobicContact CB-CD2 4.28Å; N76-F78 PolarHBondContact O-N 2.91Å; F78-T106 CarbonylContact C-O 3.54Å; F78-T106 WeakPolarHBondContact CA-O 3.44Å; F78-N107 HydrophobicContact CD1-CB 3.75Å; F78-N107 WeakPolarHBondContact CD1-ND2 3.49Å; F78-N107 WeakPolarHBondContact CD2-ND2 3.24Å; F78-N107 HydrophobicContact CE1-CB 3.8Å; F78-N107 HydrophobicContact CG-CB 4.43Å; F78-N107 WeakPolarHBondContact CG-ND2 3.18Å; F78-N107 PolarHBondContact N-ND2 3.42Å; F78-V112 HydrophobicContact CE1-CG1 4.3Å; F78-V112 HydrophobicContact CE2-CG1 4.42Å; F78-V112 HydrophobicContact CZ-CG1 3.78Å; F78-F114 HydrophobicContact CD1-CD1 4.5Å; F78-F114 HydrophobicContact CE1-CB 4.31Å; F78-F114 AromaticContact CE1-CD1 3.93Å; F78-F114 HydrophobicContact CE1-CD1 3.93Å; F78-V240 HydrophobicContact CB-CG2 4.2Å; F78-V240 HydrophobicContact CD1-CG1 4.29Å; F78-V240 HydrophobicContact CD1-CG2 4.08Å; F78-V240 HydrophobicContact CD2-CG2 3.65Å; F78-V240 HydrophobicContact CE1-CG2 4.37Å; F78-V240 HydrophobicContact CE2-CG2 3.96Å; F78-V240 HydrophobicContact CG-CG2 3.71Å; F78-V240 HydrophobicContact CZ-CG2 4.31Å; F78-T242 HydrophobicContact CE2-CG2 3.73Å; F78-T242 HydrophobicContact CZ-CG2 4Å; F78-F250 HydrophobicContact CD2-CD2 4.45Å; F78-F250 HydrophobicContact CE2-CD2 4.36Å; F78-G255 CarbonylContact O-C 3.56Å; F78-L256 HydrophobicContact CB-CD1 4.42Å; F78-L256 HydrophobicContact CB-CD2 3.69Å; F78-L256 HydrophobicContact CB-CG 4.1Å
79	E	88.9	Confident	64.9	Low	30 Å²	30	60.9 Å²	60.9	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.6	-176.3	60.4	-175.4	-155.1	0	0	114.1	R81 T106 R108 G255	E79-R81 HydrophobicContact CG-CG 4.41Å; E79-R81 IonicContact OE1-CZ 3.64Å; E79-R81 IonicContact OE1-NE 2.78Å; E79-R81 PolarHBondContact OE1-NE 3.05Å; E79-R81 IonicContact OE1-NH2 3.15Å; E79-R81 PolarHBondContact OE1-NH2 2.79Å; E79-T106 HydrophobicContact CG-CG2 4.42Å; E79-T106 PolarHBondContact N-O 3.18Å; E79-T106 PolarHBondContact O-N 3.44Å; E79-T106 VanDerWaalsContact O-N 3.12Å; E79-R108 HydrophobicContact CG-CG 4.3Å; E79-R108 VanDerWaalsContact OE2-CG 3.26Å; E79-R108 WeakPolarHBondContact OE2-CG 3.24Å; E79-R108 IonicContact OE2-CZ 2.89Å; E79-R108 IonicContact OE2-NE 2.73Å; E79-R108 PolarHBondContact OE2-NE 3.04Å; E79-R108 IonicContact OE2-NH2 3.15Å; E79-G255 CarbonylContact C-O 3.59Å; E79-G255 VanDerWaalsContact CA-O 3.32Å; E79-G255 WeakPolarHBondContact CA-O 3.48Å
80	L	88.8	Confident	66.3	Low	2 Å²	2	58 Å²	58	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.5	167.8	-74.3	172.2	0	0	0	109.9	V103 L105 I119 I236 A238 G255 L256 K258	L80-V103 HydrophobicContact CD2-CG1 3.77Å; L80-L105 HydrophobicContact CD2-CB 4.15Å; L80-L105 HydrophobicContact CD2-CD1 4.36Å; L80-I119 HydrophobicContact CD2-CD1 4.27Å; L80-I119 HydrophobicContact CD2-CG1 4.5Å; L80-I119 HydrophobicContact CD2-CG2 4.37Å; L80-I236 HydrophobicContact CD1-CB 4.43Å; L80-I236 HydrophobicContact CD1-CG2 3.94Å; L80-I236 VanDerWaalsContact CD1-O 3.3Å; L80-I236 WeakPolarHBondContact CD1-O 3.44Å; L80-A238 HydrophobicContact CD1-CB 3.95Å; L80-A238 HydrophobicContact CD2-CB 3.95Å; L80-A238 HydrophobicContact CG-CB 3.95Å; L80-G255 PolarHBondContact N-O 2.9Å; L80-L256 WeakPolarHBondContact CD1-O 3.39Å; L80-K258 HydrophobicContact CB-CG 3.84Å; L80-K258 VanDerWaalsContact O-CE 3.28Å; L80-K258 WeakPolarHBondContact O-CE 3.44Å
81	R	87.5	Confident	67.9	Low	74 Å²	74	50.3 Å²	50.3	28%	0.279	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.8	169.8	-68.4	-176	-176.3	179.1	3.7	109.3	E79 M90 I104	E79-R81 HydrophobicContact CG-CG 4.41Å; E79-R81 IonicContact OE1-CZ 3.64Å; E79-R81 IonicContact OE1-NE 2.78Å; E79-R81 PolarHBondContact OE1-NE 3.05Å; E79-R81 IonicContact OE1-NH2 3.15Å; E79-R81 PolarHBondContact OE1-NH2 2.79Å; R81-M90 HydrophobicContact CB-CE 3.93Å; R81-M90 HydrophobicContact CG-CE 4.23Å; R81-I104 HydrophobicContact CB-CB 4.26Å; R81-I104 PolarHBondContact N-O 2.87Å; R81-I104 PolarHBondContact O-N 3.18Å
82	L	85.8	Confident	69	Low	1 Å²	1	50 Å²	50	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132	176.2	-78.4	99.8	0	0	0	111.4	M90 I91 Y102 V103 I236 K258 L260	L82-M90 VanDerWaalsContact O-CA 3.31Å; L82-M90 WeakPolarHBondContact O-CA 3.48Å; L82-I91 HydrophobicContact CB-CD1 3.97Å; L82-I91 HydrophobicContact CB-CG1 3.55Å; L82-I91 HydrophobicContact CD2-CD1 3.97Å; L82-I91 HydrophobicContact CD2-CG1 4.49Å; L82-I91 PolarHBondContact O-N 2.89Å; L82-Y102 WeakPolarHBondContact CA-O 3.16Å; L82-V103 HydrophobicContact CD2-CG2 3.9Å; L82-V103 HydrophobicContact CG-CG2 4.11Å; L82-I236 HydrophobicContact CD2-CD1 4.03Å; L82-K258 HydrophobicContact CD1-CB 3.97Å; L82-K258 HydrophobicContact CD1-CG 3.89Å; L82-L260 HydrophobicContact CD1-CD1 4.43Å; L82-L260 HydrophobicContact CD2-CD1 3.5Å; L82-L260 VanDerWaalsContact CD2-CD1 3.5Å
83	R	79.8	Confident	70.4	Confident	66 Å²	66	54.3 Å²	54.3	25%	0.249	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.5	-176.3	-83.5	-169.5	171.2	162.8	1.7	111.2	G88 M90 Y101 Y102 I104 D304	R83-G88 CarbonylContact C-O 3.53Å; R83-G88 WeakPolarHBondContact CA-O 3.36Å; R83-G88 WeakPolarHBondContact CB-O 3.4Å; R83-G88 VanDerWaalsContact CG-O 3.3Å; R83-G88 WeakPolarHBondContact CG-O 3.43Å; R83-M90 HydrophobicContact CG-SD 3.5Å; R83-M90 VanDerWaalsContact CG-SD 3.5Å; R83-Y101 CarbonylContact O-C 3.55Å; R83-Y101 WeakPolarHBondContact O-CA 3.49Å; R83-Y102 HydrophobicContact CB-CD2 4.31Å; R83-Y102 PolarHBondContact N-O 3.34Å; R83-Y102 PolarHBondContact O-N 3.29Å; R83-I104 HydrophobicContact CG-CD1 4.5Å; R83-D304 WeakPolarHBondContact CD-OD2 3.34Å; R83-D304 WeakPolarHBondContact CG-OD2 3.49Å; R83-D304 IonicContact CZ-OD2 3.08Å; R83-D304 IonicContact NE-OD2 2.89Å; R83-D304 PolarHBondContact NE-OD2 2.67Å; R83-D304 IonicContact NH2-OD2 2.86Å
84	R	75.5	Confident	71.8	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.4	175.3	-175.1	161.3	58.7	-161.7	-9.2	110.7	N86 D87 G88 V89 E96 Y101	R84-N86 VanDerWaalsContact C-N 3.29Å; R84-N86 PolarHBondContact O-N 2.85Å; R84-D87 WeakPolarHBondContact CB-OD1 3.44Å; R84-D87 WeakPolarHBondContact CG-OD1 3.22Å; R84-D87 IonicContact CZ-OD1 3.78Å; R84-D87 IonicContact CZ-OD2 3.18Å; R84-D87 VanDerWaalsContact CZ-OD2 3.27Å; R84-D87 IonicContact NE-OD1 3.8Å; R84-D87 PolarHBondContact NE-OD1 3.17Å; R84-D87 IonicContact NE-OD2 2.68Å; R84-D87 PolarHBondContact NE-OD2 3.36Å; R84-D87 IonicContact NH2-OD1 3.38Å; R84-D87 IonicContact NH2-OD2 3.7Å; R84-D87 PolarHBondContact NH2-OD2 3.24Å; R84-G88 PolarHBondContact N-O 3.1Å; R84-G88 CarbonylContact O-C 3.58Å; R84-G88 WeakPolarHBondContact O-CA 3.34Å; R84-G88 PolarHBondContact O-N 2.86Å; R84-V89 PolarHBondContact N-O 2.85Å; R84-E96 IonicContact CZ-OE1 2.71Å; R84-E96 VanDerWaalsContact NH1-CD 3.28Å; R84-E96 IonicContact NH1-OE1 3.14Å; R84-E96 PolarHBondContact NH1-OE1 2.81Å; R84-E96 IonicContact NH1-OE2 2.7Å; R84-E96 PolarHBondContact NH1-OE2 3.15Å; R84-Y101 HydrophobicContact CB-CD1 3.94Å; R84-Y101 HydrophobicContact CB-CE1 3.77Å; R84-Y101 HydrophobicContact CG-CD1 4.44Å; R84-Y101 HydrophobicContact CG-CE1 4.05Å
85	V	74.3	Confident	72.9	Confident	36 Å²	36	42.3 Å²	42.3	22%	0.218	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-29.9	-170.9	170.2	0	0	0	0	113.4	K100 Y102 I222	V85-K100 HydrophobicContact CB-CB 3.91Å; V85-K100 HydrophobicContact CG2-CB 3.7Å; V85-K100 PolarHBondContact N-O 3.43Å; V85-Y102 HydrophobicContact CB-CD2 4.45Å; V85-Y102 HydrophobicContact CB-CE2 4.06Å; V85-Y102 HydrophobicContact CG1-CE2 4.13Å; V85-Y102 HydrophobicContact CG2-CD1 4.25Å; V85-Y102 HydrophobicContact CG2-CD2 3.81Å; V85-Y102 HydrophobicContact CG2-CE1 4.2Å; V85-Y102 HydrophobicContact CG2-CE2 3.76Å; V85-Y102 HydrophobicContact CG2-CG 4.06Å; V85-I222 HydrophobicContact CG2-CD1 4.27Å; V85-I222 HydrophobicContact CG2-CG1 4.26Å; V85-I222 HydrophobicContact CG2-CG2 4.33Å
86	N	59.3	Low	73.3	Confident	114 Å²	114	43.4 Å²	43.4	61%	0.61	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-28.9	-170.9	-66.4	31.7	0	0	0	114.5	R84	R84-N86 VanDerWaalsContact C-N 3.29Å; R84-N86 PolarHBondContact O-N 2.85Å
87	D	52.1	Low	73.8	Confident	64 Å²	64	41.6 Å²	41.6	34%	0.342	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144	15	-169.4	61.7	-15	0	0	0	112.2	R84 V89	R84-D87 WeakPolarHBondContact CB-OD1 3.44Å; R84-D87 WeakPolarHBondContact CG-OD1 3.22Å; R84-D87 IonicContact CZ-OD1 3.78Å; R84-D87 IonicContact CZ-OD2 3.18Å; R84-D87 VanDerWaalsContact CZ-OD2 3.27Å; R84-D87 IonicContact NE-OD1 3.8Å; R84-D87 PolarHBondContact NE-OD1 3.17Å; R84-D87 IonicContact NE-OD2 2.68Å; R84-D87 PolarHBondContact NE-OD2 3.36Å; R84-D87 IonicContact NH2-OD1 3.38Å; R84-D87 IonicContact NH2-OD2 3.7Å; R84-D87 PolarHBondContact NH2-OD2 3.24Å; D87-V89 HydrophobicContact CB-CG2 4.48Å; D87-V89 PolarHBondContact O-N 2.88Å; D87-V89 WeakPolarHBondContact OD2-CG2 3.02Å
88	G	52.4	Low	74.2	Confident	20 Å²	20	42.6 Å²	42.6	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-44.2	-174.7	0	0	0	0	0	114.2	R83 R84 M90 D304	R83-G88 CarbonylContact C-O 3.53Å; R83-G88 WeakPolarHBondContact CA-O 3.36Å; R83-G88 WeakPolarHBondContact CB-O 3.4Å; R83-G88 VanDerWaalsContact CG-O 3.3Å; R83-G88 WeakPolarHBondContact CG-O 3.43Å; R84-G88 PolarHBondContact N-O 3.1Å; R84-G88 CarbonylContact O-C 3.58Å; R84-G88 WeakPolarHBondContact O-CA 3.34Å; R84-G88 PolarHBondContact O-N 2.86Å; G88-M90 PolarHBondContact O-N 2.77Å; G88-D304 WeakPolarHBondContact CA-OD1 3.41Å
89	V	52.9	Low	74.3	Confident	44 Å²	44	46.8 Å²	46.8	27%	0.267	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-30.5	117.4	-151.4	176.3	0	0	0	0	115.2	R84 D87 I91 D304	R84-V89 PolarHBondContact N-O 2.85Å; D87-V89 HydrophobicContact CB-CG2 4.48Å; D87-V89 PolarHBondContact O-N 2.88Å; D87-V89 WeakPolarHBondContact OD2-CG2 3.02Å; V89-I91 PolarHBondContact O-N 3.45Å; V89-D304 WeakPolarHBondContact CA-OD1 3.41Å; V89-D304 PolarHBondContact N-OD1 3.43Å
90	M	63.3	Low	74.2	Confident	80 Å²	80	49.8 Å²	49.8	39%	0.394	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	121.2	166.8	-76.2	-55.7	-54.4	0	0	110.1	R81 L82 R83 G88 D304	R81-M90 HydrophobicContact CB-CE 3.93Å; R81-M90 HydrophobicContact CG-CE 4.23Å; L82-M90 VanDerWaalsContact O-CA 3.31Å; L82-M90 WeakPolarHBondContact O-CA 3.48Å; R83-M90 HydrophobicContact CG-SD 3.5Å; R83-M90 VanDerWaalsContact CG-SD 3.5Å; G88-M90 PolarHBondContact O-N 2.77Å; M90-D304 HydrophobicContact CB-CB 4.4Å; M90-D304 HydrophobicContact CG-CB 3.96Å; M90-D304 WeakPolarHBondContact CG-OD2 3.45Å; M90-D304 VanDerWaalsContact N-CG 3.31Å; M90-D304 PolarHBondContact N-OD2 3.45Å
91	I	68.6	Low	74.2	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.9	171.4	55.8	154.1	0	0	0	110.8	L82 V89 W94 Y101 L260	L82-I91 HydrophobicContact CB-CD1 3.97Å; L82-I91 HydrophobicContact CB-CG1 3.55Å; L82-I91 HydrophobicContact CD2-CD1 3.97Å; L82-I91 HydrophobicContact CD2-CG1 4.49Å; L82-I91 PolarHBondContact O-N 2.89Å; V89-I91 PolarHBondContact O-N 3.45Å; I91-W94 VanDerWaalsContact CD1-O 3.27Å; I91-W94 WeakPolarHBondContact CD1-O 3.29Å; I91-W94 HydrophobicContact CG2-CH2 4.01Å; I91-W94 HydrophobicContact CG2-CZ2 3.8Å; I91-W94 HydrophobicContact CG2-CZ3 4.46Å; I91-Y101 HydrophobicContact CD1-CD1 3.41Å; I91-Y101 VanDerWaalsContact CD1-CD1 3.41Å; I91-Y101 HydrophobicContact CD1-CE1 3.38Å; I91-Y101 HydrophobicContact CD1-CG 4.03Å; I91-Y101 HydrophobicContact CG1-CD1 3.86Å; I91-Y101 HydrophobicContact CG1-CE1 3.92Å; I91-Y101 HydrophobicContact CG2-CE1 3.93Å; I91-L260 HydrophobicContact CD1-CD2 4.41Å
92	D	67.6	Low	74.2	Confident	78 Å²	78	47.1 Å²	47.1	42%	0.417	24%	0.24	S	C	.	.			trans	-140.4	142.8	169.1	-157.8	7.1	0	0	0	108.9	W94 K258	D92-W94 PolarHBondContact O-N 2.84Å; D92-K258 WeakPolarHBondContact OD1-CD 3.25Å; D92-K258 IonicContact OD1-NZ 2.76Å; D92-K258 PolarHBondContact OD1-NZ 3.38Å; D92-K258 IonicContact OD2-NZ 3.88Å; D92-K258 PolarHBondContact OD2-NZ 2.97Å
93	Q	71.5	Confident	74.5	Confident	144 Å²	144	47 Å²	47	67%	0.673	24%	0.24	S	C	*	.	S	Bend	trans	61.9	-17.1	-179.4	-53.9	-177.8	-1.2	0	0	118	T259 L260 C261	Q93-T259 WeakPolarHBondContact CA-O 3.34Å; Q93-L260 WeakPolarHBondContact O-CA 3.45Å; Q93-C261 PolarHBondContact O-N 3.35Å
94	W	77.6	Confident	75	Confident	28 Å²	28	44.5 Å²	44.5	11%	0.106	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160.3	-177.2	67.7	-87.2	0	0	0	114.6	I91 D92 E96 C261 P267	I91-W94 VanDerWaalsContact CD1-O 3.27Å; I91-W94 WeakPolarHBondContact CD1-O 3.29Å; I91-W94 HydrophobicContact CG2-CH2 4.01Å; I91-W94 HydrophobicContact CG2-CZ2 3.8Å; I91-W94 HydrophobicContact CG2-CZ3 4.46Å; D92-W94 PolarHBondContact O-N 2.84Å; W94-E96 HydrophobicContact CZ3-CG 4.01Å; W94-C261 CarbonylContact C-O 3.56Å; W94-C261 WeakPolarHBondContact CA-O 3.28Å; W94-P267 HydrophobicContact CB-CG 4.21Å; W94-P267 HydrophobicContact CD2-CG 4.03Å; W94-P267 HydrophobicContact CG-CG 3.7Å
95	Y	82.4	Confident	75.7	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.8	168.8	72	-88.3	0	0	0	112.4	P97 W223 A225 P226 I234 L260 C261 P262 S263	Y95-P97 HydrophobicContact CE2-CG 4.42Å; Y95-W223 AromaticContact CD1-CH2 3.94Å; Y95-W223 HydrophobicContact CD1-CH2 3.94Å; Y95-W223 HydrophobicContact CD1-CZ3 4.47Å; Y95-W223 AromaticContact CD2-CH2 3.73Å; Y95-W223 HydrophobicContact CD2-CH2 3.73Å; Y95-W223 HydrophobicContact CD2-CZ3 4.28Å; Y95-W223 HydrophobicContact CE1-CH2 4.22Å; Y95-W223 HydrophobicContact CE2-CH2 4.04Å; Y95-W223 AromaticContact CG-CH2 3.67Å; Y95-W223 HydrophobicContact CG-CH2 3.67Å; Y95-W223 AromaticContact CG-CZ3 3.99Å; Y95-W223 HydrophobicContact CG-CZ3 3.99Å; Y95-A225 HydrophobicContact CD2-CB 3.64Å; Y95-A225 HydrophobicContact CE2-CB 3.99Å; Y95-P226 HydrophobicContact CE2-CG 4.25Å; Y95-I234 HydrophobicContact CE1-CG1 4.42Å; Y95-L260 HydrophobicContact CD1-CB 3.83Å; Y95-C261 VanDerWaalsContact CD1-C 3.49Å; Y95-C261 WeakPolarHBondContact CD1-O 3.04Å; Y95-C261 PolarHBondContact N-O 3.48Å; Y95-P262 HydrophobicContact CE1-CB 4.11Å; Y95-P262 HydrophobicContact CE1-CG 4.45Å; Y95-P262 VanDerWaalsContact CE1-N 3.33Å; Y95-P262 HydrophobicContact CE2-CB 4.11Å; Y95-P262 WeakPolarHBondContact O-CA 3.45Å; Y95-S263 PolarHBondContact O-N 3.12Å
96	E	79.3	Confident	76.4	Confident	42 Å²	42	42.5 Å²	42.5	20%	0.196	22%	0.22	C	C	.	.			trans	-89.6	124.3	169.8	-91.2	162.6	-134.8	0	0	109.1	R84 W94 G98 R99 Y101	R84-E96 IonicContact CZ-OE1 2.71Å; R84-E96 VanDerWaalsContact NH1-CD 3.28Å; R84-E96 IonicContact NH1-OE1 3.14Å; R84-E96 PolarHBondContact NH1-OE1 2.81Å; R84-E96 IonicContact NH1-OE2 2.7Å; R84-E96 PolarHBondContact NH1-OE2 3.15Å; W94-E96 HydrophobicContact CZ3-CG 4.01Å; E96-G98 PolarHBondContact O-N 2.85Å; E96-R99 HydrophobicContact CB-CB 4.31Å; E96-R99 HydrophobicContact CB-CG 3.58Å; E96-R99 WeakPolarHBondContact O-CB 3.37Å; E96-R99 PolarHBondContact O-N 2.85Å; E96-R99 IonicContact OE2-CZ 3.83Å; E96-R99 IonicContact OE2-NE 2.99Å; E96-R99 PolarHBondContact OE2-NE 3.19Å; E96-R99 IonicContact OE2-NH2 3.14Å; E96-R99 PolarHBondContact OE2-NH2 3.17Å; E96-Y101 PolarHBondContact N-OH 2.99Å
97	P	84.3	Confident	77.6	Confident	31 Å²	31	37.1 Å²	37.1	20%	0.201	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	137.3	176.2	-30.5	38.2	0	0	0	113.3	Y95 R99 P226 P262 Y264	Y95-P97 HydrophobicContact CE2-CG 4.42Å; P97-R99 VanDerWaalsContact C-N 3.28Å; P97-R99 PolarHBondContact O-N 2.91Å; P97-P226 CarbonylContact C-O 3.57Å; P97-P226 VanDerWaalsContact CA-O 3.28Å; P97-P226 WeakPolarHBondContact CA-O 3.29Å; P97-P226 WeakPolarHBondContact CB-O 3.44Å; P97-P262 HydrophobicContact CG-CB 4.24Å; P97-Y264 HydrophobicContact CG-CE1 3.82Å
98	G	83.3	Confident	78.7	Confident	29 Å²	29	39.9 Å²	39.9	30%	0.299	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-8.6	179.7	0	0	0	0	0	117	E96 A225 P226	E96-G98 PolarHBondContact O-N 2.85Å; G98-A225 WeakPolarHBondContact CA-O 3.46Å; G98-A225 PolarHBondContact N-O 3.49Å; G98-P226 PolarHBondContact N-O 3.41Å
99	R	84.8	Confident	79.4	Confident	87 Å²	87	45.4 Å²	45.4	33%	0.328	22%	0.215	S	C	.	.			trans	-75	162.2	176.3	-70.8	-78.3	-160.9	159.5	8.2	112.2	E96 P97 Y101 A225	E96-R99 HydrophobicContact CB-CB 4.31Å; E96-R99 HydrophobicContact CB-CG 3.58Å; E96-R99 WeakPolarHBondContact O-CB 3.37Å; E96-R99 PolarHBondContact O-N 2.85Å; E96-R99 IonicContact OE2-CZ 3.83Å; E96-R99 IonicContact OE2-NE 2.99Å; E96-R99 PolarHBondContact OE2-NE 3.19Å; E96-R99 IonicContact OE2-NH2 3.14Å; E96-R99 PolarHBondContact OE2-NH2 3.17Å; P97-R99 VanDerWaalsContact C-N 3.28Å; P97-R99 PolarHBondContact O-N 2.91Å; R99-Y101 HydrophobicContact CB-CD2 4.45Å; R99-Y101 HydrophobicContact CB-CE2 3.62Å; R99-A225 WeakPolarHBondContact O-CB 3.35Å; R99-A225 PolarHBondContact O-N 2.81Å
100	K	88.1	Confident	80	Confident	94 Å²	94	47.3 Å²	47.3	41%	0.409	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.4	171.2	-64.5	-179.9	-179.5	179.6	0	110.5	V85 I222 W223 K224	V85-K100 HydrophobicContact CB-CB 3.91Å; V85-K100 HydrophobicContact CG2-CB 3.7Å; V85-K100 PolarHBondContact N-O 3.43Å; K100-I222 HydrophobicContact CB-CG2 4.01Å; K100-I222 HydrophobicContact CD-CG2 4.38Å; K100-I222 HydrophobicContact CG-CG2 4.34Å; K100-W223 CarbonylContact C-O 3.49Å; K100-W223 WeakPolarHBondContact CA-O 3.21Å; K100-K224 HydrophobicContact CG-CB 4.41Å; K100-K224 HydrophobicContact CG-CG 4.46Å
101	Y	88.7	Confident	80.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.5	179.4	-62.5	-84.1	0	0	0	110.8	R83 R84 I91 E96 R99 V103 I222 W223 A225	R83-Y101 CarbonylContact O-C 3.55Å; R83-Y101 WeakPolarHBondContact O-CA 3.49Å; R84-Y101 HydrophobicContact CB-CD1 3.94Å; R84-Y101 HydrophobicContact CB-CE1 3.77Å; R84-Y101 HydrophobicContact CG-CD1 4.44Å; R84-Y101 HydrophobicContact CG-CE1 4.05Å; I91-Y101 HydrophobicContact CD1-CD1 3.41Å; I91-Y101 VanDerWaalsContact CD1-CD1 3.41Å; I91-Y101 HydrophobicContact CD1-CE1 3.38Å; I91-Y101 HydrophobicContact CD1-CG 4.03Å; I91-Y101 HydrophobicContact CG1-CD1 3.86Å; I91-Y101 HydrophobicContact CG1-CE1 3.92Å; I91-Y101 HydrophobicContact CG2-CE1 3.93Å; E96-Y101 PolarHBondContact N-OH 2.99Å; R99-Y101 HydrophobicContact CB-CD2 4.45Å; R99-Y101 HydrophobicContact CB-CE2 3.62Å; Y101-V103 PolarHBondContact O-N 2.93Å; Y101-I222 CarbonylContact O-C 3.59Å; Y101-I222 VanDerWaalsContact O-CA 3.31Å; Y101-I222 WeakPolarHBondContact O-CA 3.34Å; Y101-W223 AromaticContact CD2-CE3 3.72Å; Y101-W223 HydrophobicContact CD2-CE3 3.72Å; Y101-W223 AromaticContact CD2-CZ3 3.84Å; Y101-W223 HydrophobicContact CD2-CZ3 3.84Å; Y101-W223 HydrophobicContact CE2-CZ3 4.2Å; Y101-W223 HydrophobicContact CG-CE3 4.33Å; Y101-W223 PolarHBondContact N-O 3.11Å; Y101-W223 PolarHBondContact O-N 2.83Å; Y101-A225 HydrophobicContact CE2-CB 4.25Å
102	Y	87.8	Confident	80.2	Confident	19 Å²	19	51 Å²	51	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.6	161.7	-60.2	-71.8	0	0	0	108.5	L82 R83 V85 L184 L187 I220 I222	L82-Y102 WeakPolarHBondContact CA-O 3.16Å; R83-Y102 HydrophobicContact CB-CD2 4.31Å; R83-Y102 PolarHBondContact N-O 3.34Å; R83-Y102 PolarHBondContact O-N 3.29Å; V85-Y102 HydrophobicContact CB-CD2 4.45Å; V85-Y102 HydrophobicContact CB-CE2 4.06Å; V85-Y102 HydrophobicContact CG1-CE2 4.13Å; V85-Y102 HydrophobicContact CG2-CD1 4.25Å; V85-Y102 HydrophobicContact CG2-CD2 3.81Å; V85-Y102 HydrophobicContact CG2-CE1 4.2Å; V85-Y102 HydrophobicContact CG2-CE2 3.76Å; V85-Y102 HydrophobicContact CG2-CG 4.06Å; Y102-L184 HydrophobicContact CE1-CD2 4.13Å; Y102-L187 HydrophobicContact CD2-CD1 4.45Å; Y102-L187 HydrophobicContact CE1-CD1 4.28Å; Y102-L187 HydrophobicContact CE2-CD1 4.02Å; Y102-I220 HydrophobicContact CD1-CG2 4.18Å; Y102-I222 HydrophobicContact CD1-CD1 4.17Å; Y102-I222 HydrophobicContact CD1-CG1 3.58Å; Y102-I222 HydrophobicContact CE1-CD1 3.76Å; Y102-I222 HydrophobicContact CE1-CG1 3.73Å
103	V	91.5	Very high	80.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.9	168.4	-176.8	0	0	0	0	106.9	L80 L82 Y101 I119 W171 V221 W223 I236	L80-V103 HydrophobicContact CD2-CG1 3.77Å; L82-V103 HydrophobicContact CD2-CG2 3.9Å; L82-V103 HydrophobicContact CG-CG2 4.11Å; Y101-V103 PolarHBondContact O-N 2.93Å; V103-I119 HydrophobicContact CG1-CD1 4.34Å; V103-I119 HydrophobicContact CG1-CG2 4.39Å; V103-W171 HydrophobicContact CB-CH2 4.32Å; V103-W171 HydrophobicContact CB-CZ3 3.96Å; V103-W171 HydrophobicContact CG1-CH2 4.26Å; V103-W171 HydrophobicContact CG1-CZ3 4.39Å; V103-W171 HydrophobicContact CG2-CH2 4.13Å; V103-W171 HydrophobicContact CG2-CZ3 3.72Å; V103-V221 HydrophobicContact CB-CG1 4.14Å; V103-V221 PolarHBondContact N-O 2.96Å; V103-V221 PolarHBondContact O-N 2.93Å; V103-V221 VanDerWaalsContact O-N 3.12Å; V103-W223 HydrophobicContact CG2-CB 3.71Å; V103-I236 HydrophobicContact CG1-CG2 4.29Å; V103-I236 HydrophobicContact CG2-CD1 4.33Å
104	I	89.8	Confident	81.4	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110	-172.7	-56.6	167	0	0	0	107.7	R81 R83 T106 L187 I220	R81-I104 HydrophobicContact CB-CB 4.26Å; R81-I104 PolarHBondContact N-O 2.87Å; R81-I104 PolarHBondContact O-N 3.18Å; R83-I104 HydrophobicContact CG-CD1 4.5Å; I104-T106 HydrophobicContact CG2-CG2 4.46Å; I104-L187 HydrophobicContact CD1-CD2 4.2Å; I104-I220 HydrophobicContact CG1-CG1 4.28Å; I104-I220 HydrophobicContact CG1-CG2 4.29Å; I104-I220 HydrophobicContact CG2-CG1 4.33Å
105	L	89.8	Confident	81.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.4	169	174.5	60.6	0	0	0	108.5	L80 F114 I119 K218 M219 A238 V240 L256	L80-L105 HydrophobicContact CD2-CB 4.15Å; L80-L105 HydrophobicContact CD2-CD1 4.36Å; L105-F114 HydrophobicContact CD2-CE2 4.43Å; L105-F114 HydrophobicContact CD2-CZ 4.36Å; L105-F114 HydrophobicContact CG-CZ 4.25Å; L105-I119 HydrophobicContact CB-CD1 3.92Å; L105-I119 HydrophobicContact CB-CG1 4.44Å; L105-I119 HydrophobicContact CD2-CD1 4.33Å; L105-I119 HydrophobicContact CD2-CG1 4.03Å; L105-K218 WeakPolarHBondContact O-CA 3.24Å; L105-M219 HydrophobicContact CB-CB 4.23Å; L105-M219 HydrophobicContact CD2-SD 4.16Å; L105-M219 PolarHBondContact N-O 3.28Å; L105-M219 PolarHBondContact O-N 3.03Å; L105-A238 HydrophobicContact CD1-CB 3.85Å; L105-A238 HydrophobicContact CD2-CB 4.13Å; L105-V240 HydrophobicContact CD1-CG1 3.99Å; L105-V240 HydrophobicContact CD2-CG1 3.71Å; L105-V240 HydrophobicContact CG-CG1 4.06Å; L105-L256 HydrophobicContact CD1-CD2 3.62Å
106	T	89.6	Confident	81.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	172.9	-176.8	-165.1	0	0	0	0	110.4	F78 E79 I104 T217	F78-T106 CarbonylContact C-O 3.54Å; F78-T106 WeakPolarHBondContact CA-O 3.44Å; E79-T106 HydrophobicContact CG-CG2 4.42Å; E79-T106 PolarHBondContact N-O 3.18Å; E79-T106 PolarHBondContact O-N 3.44Å; E79-T106 VanDerWaalsContact O-N 3.12Å; I104-T106 HydrophobicContact CG2-CG2 4.46Å; T106-T217 PolarHBondContact OG1-O 2.76Å
107	N	84.4	Confident	82.2	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	149.5	165.3	-163	-71.3	0	0	0	109.8	N76 G77 F78 F109 V112	N76-N107 PolarHBondContact O-ND2 3.34Å; G77-N107 CarbonylContact O-C 3.38Å; G77-N107 WeakPolarHBondContact O-CA 3.48Å; G77-N107 PolarHBondContact O-OD1 2.9Å; F78-N107 HydrophobicContact CD1-CB 3.75Å; F78-N107 WeakPolarHBondContact CD1-ND2 3.49Å; F78-N107 WeakPolarHBondContact CD2-ND2 3.24Å; F78-N107 HydrophobicContact CE1-CB 3.8Å; F78-N107 HydrophobicContact CG-CB 4.43Å; F78-N107 WeakPolarHBondContact CG-ND2 3.18Å; F78-N107 PolarHBondContact N-ND2 3.42Å; N107-F109 PolarHBondContact O-N 2.64Å; N107-F109 WeakPolarHBondContact OD1-CD2 3.33Å; N107-F109 PolarHBondContact OD1-N 3.18Å; N107-V112 HydrophobicContact CB-CB 3.89Å; N107-V112 HydrophobicContact CB-CG1 4.17Å; N107-V112 WeakPolarHBondContact CB-O 3.08Å
108	R	74.3	Confident	82.5	Confident	122 Å²	122	37.9 Å²	37.9	46%	0.46	19%	0.191	S	C	.	.	S	Bend	trans	-55	-31.3	171.5	-71.7	178.5	-167.2	141.3	21.6	111.7	D75 G77 E79	D75-R108 IonicContact OD2-CZ 2.8Å; D75-R108 IonicContact OD2-NH2 3.31Å; D75-R108 PolarHBondContact OD2-NH2 2.8Å; G77-R108 WeakPolarHBondContact O-CG 3.36Å; G77-R108 PolarHBondContact O-N 3.26Å; E79-R108 HydrophobicContact CG-CG 4.3Å; E79-R108 VanDerWaalsContact OE2-CG 3.26Å; E79-R108 WeakPolarHBondContact OE2-CG 3.24Å; E79-R108 IonicContact OE2-CZ 2.89Å; E79-R108 IonicContact OE2-NE 2.73Å; E79-R108 PolarHBondContact OE2-NE 3.04Å; E79-R108 IonicContact OE2-NH2 3.15Å
109	F	67.5	Low	83	Confident	135 Å²	135	36.5 Å²	36.5	59%	0.592	18%	0.177	S	C	*	.	S	Bend	trans	-95.3	109.2	169.6	-55.9	-74.3	0	0	0	109.6	N107 S111 V112	N107-F109 PolarHBondContact O-N 2.64Å; N107-F109 WeakPolarHBondContact OD1-CD2 3.33Å; N107-F109 PolarHBondContact OD1-N 3.18Å; F109-S111 PolarHBondContact O-N 3.41Å; F109-V112 HydrophobicContact CB-CB 4.39Å; F109-V112 HydrophobicContact CB-CG2 3.8Å; F109-V112 PolarHBondContact O-N 2.78Å
110	H	65.3	Low	83.4	Confident	85 Å²	85	32.7 Å²	32.7	39%	0.394	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.9	-175.3	-69.9	-45	0	0	0	115.1	T217	H110-T217 VanDerWaalsContact O-CG2 3.29Å; H110-T217 WeakPolarHBondContact O-CG2 3.42Å
111	S	65.7	Low	83.4	Confident	110 Å²	110	28.3 Å²	28.3	77%	0.769	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	173.9	51.4	0	0	0	0	114.7	F109 G113	F109-S111 PolarHBondContact O-N 3.41Å; S111-G113 PolarHBondContact O-N 3.49Å
112	V	72	Confident	83.3	Confident	50 Å²	50	30.2 Å²	30.2	30%	0.303	15%	0.153	S	C	.	.			trans	-91.3	100.5	-178.9	178.6	0	0	0	0	109.7	F78 N107 F109	F78-V112 HydrophobicContact CE1-CG1 4.3Å; F78-V112 HydrophobicContact CE2-CG1 4.42Å; F78-V112 HydrophobicContact CZ-CG1 3.78Å; N107-V112 HydrophobicContact CB-CB 3.89Å; N107-V112 HydrophobicContact CB-CG1 4.17Å; N107-V112 WeakPolarHBondContact CB-O 3.08Å; F109-V112 HydrophobicContact CB-CB 4.39Å; F109-V112 HydrophobicContact CB-CG2 3.8Å; F109-V112 PolarHBondContact O-N 2.78Å
113	G	78.1	Confident	83	Confident	11 Å²	11	30.3 Å²	30.3	11%	0.113	16%	0.156	C	C	.	.			trans	-92.3	170.7	175	0	0	0	0	0	114.6	S111 L215 V216	S111-G113 PolarHBondContact O-N 3.49Å; G113-L215 WeakPolarHBondContact O-CD2 3.42Å; G113-V216 CarbonylContact C-O 3.09Å; G113-V216 WeakPolarHBondContact CA-O 3.47Å
114	F	84.6	Confident	82.1	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.4	176.3	51.5	-81.7	0	0	0	112.1	F78 L105 D116 V216 M219 V240 Q241	F78-F114 HydrophobicContact CD1-CD1 4.5Å; F78-F114 HydrophobicContact CE1-CB 4.31Å; F78-F114 AromaticContact CE1-CD1 3.93Å; F78-F114 HydrophobicContact CE1-CD1 3.93Å; L105-F114 HydrophobicContact CD2-CE2 4.43Å; L105-F114 HydrophobicContact CD2-CZ 4.36Å; L105-F114 HydrophobicContact CG-CZ 4.25Å; F114-D116 WeakPolarHBondContact CD2-O 3.27Å; F114-V216 HydrophobicContact CD1-CG2 4.47Å; F114-V216 WeakPolarHBondContact CD1-O 3.41Å; F114-V216 HydrophobicContact CD2-CG2 3.73Å; F114-V216 HydrophobicContact CE1-CG2 4.31Å; F114-V216 HydrophobicContact CE2-CG2 3.54Å; F114-V216 HydrophobicContact CG-CG2 4.21Å; F114-V216 HydrophobicContact CZ-CG2 3.86Å; F114-V216 PolarHBondContact N-O 3.24Å; F114-V216 WeakPolarHBondContact O-CG2 3.3Å; F114-V216 PolarHBondContact O-N 2.04Å; F114-V216 VanDerWaalsContact O-N 3.08Å; F114-M219 HydrophobicContact CE2-CB 3.95Å; F114-M219 HydrophobicContact CE2-SD 4.39Å; F114-M219 HydrophobicContact CZ-CB 3.59Å; F114-V240 HydrophobicContact CB-CB 4.12Å; F114-V240 HydrophobicContact CB-CG1 4.31Å; F114-V240 HydrophobicContact CD1-CG1 4.37Å; F114-V240 HydrophobicContact CD2-CG1 4.15Å; F114-V240 HydrophobicContact CG-CB 4.39Å; F114-V240 HydrophobicContact CG-CG1 4.04Å; F114-Q241 CarbonylContact C-O 3.43Å; F114-Q241 WeakPolarHBondContact CA-O 3.16Å; F114-Q241 WeakPolarHBondContact CB-O 3.47Å
115	L	82.3	Confident	80.5	Confident	36 Å²	36	36.6 Å²	36.6	19%	0.188	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-44.6	179.2	-82.9	176.5	0	0	0	112.4	K208 Q241 H243	L115-K208 WeakPolarHBondContact O-CD 3.26Å; L115-K208 PolarHBondContact O-NZ 3.25Å; L115-Q241 HydrophobicContact CB-CG 4.5Å; L115-Q241 PolarHBondContact N-O 3.37Å; L115-H243 HydrophobicContact CD1-CB 4.36Å; L115-H243 HydrophobicContact CG-CB 4.2Å
116	D	86.2	Confident	78.6	Confident	2 Å²	2	41 Å²	41	1%	0.011	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.2	178.3	-166.5	16	0	0	0	109.5	L34 T35 V36 F114 V240 Q241	L34-D116 HydrophobicContact CD2-CB 4.23Å; T35-D116 WeakPolarHBondContact CB-OD2 3.33Å; T35-D116 PolarHBondContact N-OD2 3.1Å; V36-D116 HydrophobicContact CG2-CB 3.98Å; V36-D116 PolarHBondContact N-OD2 3.18Å; F114-D116 WeakPolarHBondContact CD2-O 3.27Å; D116-V240 WeakPolarHBondContact O-CA 3.25Å; D116-Q241 HydrophobicContact CB-CB 4.19Å; D116-Q241 PolarHBondContact O-N 2.91Å
117	G	88.5	Confident	76.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	134.1	-173.7	0	0	0	0	0	111.4	E207 K208 A239	G117-E207 WeakPolarHBondContact O-CA 3.49Å; G117-K208 PolarHBondContact O-N 3.07Å; G117-A239 WeakPolarHBondContact CA-O 3.37Å
118	L	91.1	Very high	74	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.1	-179.2	174.5	68.5	0	0	0	108.7	L34 W120 T205 A206 E207 A238 A239	L34-L118 HydrophobicContact CD2-CB 3.7Å; L118-W120 HydrophobicContact CD2-CE3 4.2Å; L118-W120 HydrophobicContact CD2-CZ3 4.36Å; L118-W120 HydrophobicContact CG-CE3 4.03Å; L118-W120 HydrophobicContact CG-CZ3 4.41Å; L118-T205 HydrophobicContact CD1-CG2 4.47Å; L118-A206 CarbonylContact C-O 3.44Å; L118-A206 WeakPolarHBondContact CA-O 3.25Å; L118-E207 HydrophobicContact CD1-CB 3.99Å; L118-A238 CarbonylContact O-C 3.57Å; L118-A238 WeakPolarHBondContact O-CA 3.27Å; L118-A239 PolarHBondContact N-O 2.8Å; L118-A239 PolarHBondContact O-N 2.81Å
119	I	93.1	Very high	72.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.4	174.4	-51.6	174.6	0	0	0	107.2	L80 V103 L105 W171 T205 A206 M219 V221 I236 N237 A238	L80-I119 HydrophobicContact CD2-CD1 4.27Å; L80-I119 HydrophobicContact CD2-CG1 4.5Å; L80-I119 HydrophobicContact CD2-CG2 4.37Å; V103-I119 HydrophobicContact CG1-CD1 4.34Å; V103-I119 HydrophobicContact CG1-CG2 4.39Å; L105-I119 HydrophobicContact CB-CD1 3.92Å; L105-I119 HydrophobicContact CB-CG1 4.44Å; L105-I119 HydrophobicContact CD2-CD1 4.33Å; L105-I119 HydrophobicContact CD2-CG1 4.03Å; I119-W171 HydrophobicContact CB-CH2 4.49Å; I119-W171 HydrophobicContact CB-CZ2 4.37Å; I119-W171 HydrophobicContact CG2-CH2 3.58Å; I119-W171 HydrophobicContact CG2-CZ2 3.68Å; I119-T205 CarbonylContact O-C 3.55Å; I119-T205 WeakPolarHBondContact O-CA 3.14Å; I119-A206 PolarHBondContact N-O 3.04Å; I119-A206 PolarHBondContact O-N 2.73Å; I119-M219 HydrophobicContact CD1-CE 4.08Å; I119-M219 HydrophobicContact CD1-CG 4.44Å; I119-M219 HydrophobicContact CD1-SD 4.47Å; I119-M219 HydrophobicContact CG1-CE 3.99Å; I119-V221 HydrophobicContact CD1-CG1 4.07Å; I119-I236 HydrophobicContact CG2-CG2 3.64Å; I119-N237 CarbonylContact C-O 3.51Å; I119-N237 VanDerWaalsContact CA-O 3.28Å; I119-N237 WeakPolarHBondContact CA-O 3.19Å; I119-N237 WeakPolarHBondContact CG2-O 3.27Å; I119-A238 HydrophobicContact CG1-CB 4.3Å
120	W	92.1	Very high	70.6	Confident	8 Å²	8	55.7 Å²	55.7	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.9	176.9	71.4	102.5	0	0	0	113.1	L27 T32 L118 E122 L204 T205 I236 N237 A239 A252	L27-W120 HydrophobicContact CD2-CB 4.33Å; T32-W120 HydrophobicContact CG2-CD2 4.44Å; T32-W120 HydrophobicContact CG2-CZ2 4.32Å; L118-W120 HydrophobicContact CD2-CE3 4.2Å; L118-W120 HydrophobicContact CD2-CZ3 4.36Å; L118-W120 HydrophobicContact CG-CE3 4.03Å; L118-W120 HydrophobicContact CG-CZ3 4.41Å; W120-E122 PolarHBondContact NE1-OE1 2.92Å; W120-L204 VanDerWaalsContact CA-O 3.25Å; W120-L204 WeakPolarHBondContact CA-O 3.32Å; W120-T205 HydrophobicContact CB-CG2 3.98Å; W120-I236 WeakPolarHBondContact O-CA 3.17Å; W120-N237 HydrophobicContact CD2-CB 3.74Å; W120-N237 VanDerWaalsContact CE2-CB 3.41Å; W120-N237 HydrophobicContact CE3-CB 4.09Å; W120-N237 HydrophobicContact CG-CB 4.36Å; W120-N237 HydrophobicContact CH2-CB 3.86Å; W120-N237 HydrophobicContact CZ2-CB 3.48Å; W120-N237 VanDerWaalsContact CZ2-CB 3.48Å; W120-N237 HydrophobicContact CZ3-CB 4.16Å; W120-N237 PolarHBondContact N-O 3.09Å; W120-N237 PolarHBondContact NE1-ND2 2.97Å; W120-N237 PolarHBondContact O-N 2.02Å; W120-A239 HydrophobicContact CH2-CB 4.28Å; W120-A239 HydrophobicContact CZ3-CB 3.85Å; W120-A252 HydrophobicContact CH2-CB 4.17Å; W120-A252 HydrophobicContact CZ2-CB 4.14Å
121	I	89.8	Confident	69	Low	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.5	-178	-46.9	-177.6	0	0	0	110.3	L27 L168 W171 L204 W223 I234 N235 I236	L27-I121 WeakPolarHBondContact CD1-O 3.28Å; I121-L168 HydrophobicContact CG2-CB 4.08Å; I121-W171 HydrophobicContact CD1-CD2 4.39Å; I121-W171 HydrophobicContact CD1-CH2 4.19Å; I121-W171 HydrophobicContact CD1-CZ2 3.63Å; I121-W171 HydrophobicContact CG1-CH2 4.2Å; I121-W171 HydrophobicContact CG1-CZ2 3.39Å; I121-L204 PolarHBondContact N-O 3.43Å; I121-L204 VanDerWaalsContact N-O 3.08Å; I121-W223 HydrophobicContact CD1-CG 4.35Å; I121-I234 HydrophobicContact CG2-CB 4.17Å; I121-I234 HydrophobicContact CG2-CD1 4Å; I121-N235 WeakPolarHBondContact CA-O 3.49Å; I121-I236 HydrophobicContact CG1-CG1 4.4Å
122	E	85.3	Confident	67.4	Low	40 Å²	40	59.8 Å²	59.8	19%	0.187	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.4	174.5	-76.2	169.4	178.1	0	0	110.8	L27 W120 I234 N235 N237	L27-E122 HydrophobicContact CD1-CG 3.7Å; W120-E122 PolarHBondContact NE1-OE1 2.92Å; E122-I234 WeakPolarHBondContact O-CA 3.32Å; E122-N235 PolarHBondContact N-O 3.09Å; E122-N235 PolarHBondContact O-N 3.14Å; E122-N237 PolarHBondContact OE2-ND2 3.18Å
123	P	81.7	Confident	65.6	Low	22 Å²	22	63.3 Å²	63.3	14%	0.143	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.8	169.7	28.3	-32.1	0	0	0	110.4	L25 M125 L168	L25-P123 HydrophobicContact CB-CG 4.11Å; L25-P123 WeakPolarHBondContact O-CD 3.2Å; P123-M125 PolarHBondContact O-N 2.89Å; P123-L168 HydrophobicContact CB-CD2 4.14Å
124	S	72.6	Confident	63.6	Low	34 Å²	34	68.7 Å²	68.7	24%	0.238	34%	0.338	C	S	.	.			trans	-80.2	110.3	-179.4	-160.4	0	0	0	0	110.8	N126 C233 N235	S124-N126 PolarHBondContact O-N 3.33Å; S124-C233 WeakPolarHBondContact CB-O 3.12Å; S124-C233 PolarHBondContact N-O 3.36Å; S124-N235 WeakPolarHBondContact CB-OD1 3.44Å; S124-N235 PolarHBondContact OG-ND2 3.36Å; S124-N235 PolarHBondContact OG-OD1 3.19Å
125	M	57.2	Low	61.2	Low	110 Å²	110	77.1 Å²	77.1	54%	0.542	38%	0.375	S	S	.	.			trans	-73.6	99.7	177.8	-68.9	-160.4	179.1	0	0	111	G24 P123 K127	G24-M125 VanDerWaalsContact O-CE 3.3Å; G24-M125 WeakPolarHBondContact O-CE 3.34Å; P123-M125 PolarHBondContact O-N 2.89Å; M125-K127 PolarHBondContact O-N 3.07Å
126	N	48.4	Very low	58.8	Low	93 Å²	93	83.8 Å²	83.8	50%	0.497	41%	0.407	S	S	.	.			trans	-70	96	-177.2	-161.4	-9.8	0	0	0	111.2	S124 E128 K129	S124-N126 PolarHBondContact O-N 3.33Å; N126-E128 PolarHBondContact O-N 3.37Å; N126-K129 PolarHBondContact O-N 2.88Å
127	K	39.8	Very low	56.1	Low	172 Å²	172	91.1 Å²	91.1	75%	0.748	45%	0.447	S	S	*	.	H	α-helix	trans	-52.3	-29.6	-175.9	-76.3	-179.3	176.4	174.5	0	113.5	M125 M130 M131	M125-K127 PolarHBondContact O-N 3.07Å; K127-M130 PolarHBondContact O-N 3.39Å; K127-M131 PolarHBondContact O-N 2.89Å; K127-M131 VanDerWaalsContact O-N 3.09Å
128	E	38.5	Very low	53.3	Low	107 Å²	107	96.8 Å²	96.8	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-70.1	-34.8	-179.1	-58.6	-161.5	124.4	0	0	113	N126 M130 M131 M132 R514	N126-E128 PolarHBondContact O-N 3.37Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 3.44Å; E128-M131 PolarHBondContact O-N 2.97Å; E128-M132 PolarHBondContact O-N 2.9Å; E128-R514 IonicContact OE1-CZ 2.82Å; E128-R514 IonicContact OE1-NH1 3.61Å; E128-R514 PolarHBondContact OE1-NH1 3.07Å
129	K	37.8	Very low	50.4	Low	156 Å²	156	102 Å²	102	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-67.3	-30.8	171.7	-84.1	-173.3	172.8	179.9	0	112.5	N126 N133	N126-K129 PolarHBondContact O-N 2.88Å; K129-N133 PolarHBondContact O-N 3.3Å
130	M	32.9	Very low	47.3	Very low	133 Å²	133	109.6 Å²	109.6	66%	0.655	56%	0.559	S	S	*	*	H	α-helix	trans	-74.4	-38.8	178.4	-151.2	172.9	-168	0	0	111.7	K127 E128 I134	K127-M130 PolarHBondContact O-N 3.39Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 3.44Å; M130-I134 HydrophobicContact CG-CD1 4.1Å; M130-I134 WeakPolarHBondContact O-CD1 3.11Å; M130-I134 VanDerWaalsContact O-CG1 3.28Å; M130-I134 WeakPolarHBondContact O-CG1 3.37Å; M130-I134 PolarHBondContact O-N 2.8Å
131	M	30.9	Very low	44.3	Very low	136 Å²	136	114.8 Å²	114.8	67%	0.67	59%	0.594	S	S	*	*	H	α-helix	trans	-73.5	-26.9	177.5	-74.8	-162.2	175.7	0	0	114.5	K127 E128	K127-M131 PolarHBondContact O-N 2.89Å; K127-M131 VanDerWaalsContact O-N 3.09Å; E128-M131 PolarHBondContact O-N 2.97Å
132	M	32.7	Very low	41.3	Very low	145 Å²	145	121 Å²	121	71%	0.714	63%	0.632	S	S	*	*	H	α-helix	trans	-71.7	-38.5	172.9	-72.2	-172.7	178.8	0	0	112.2	E128 I134 K135	E128-M132 PolarHBondContact O-N 2.9Å; M132-I134 VanDerWaalsContact C-N 3.28Å; M132-I134 PolarHBondContact O-N 2.88Å; M132-K135 PolarHBondContact O-N 3.16Å
133	N	33.4	Very low	38.8	Very low	123 Å²	123	126.4 Å²	126.4	66%	0.658	66%	0.662	S	S	*	*	H	α-helix	trans	-74.7	-13.1	179.7	-71.9	2.2	0	0	0	114.3	K129	K129-N133 PolarHBondContact O-N 3.3Å
134	I	36.3	Very low	36.3	Very low	125 Å²	125	129 Å²	129	64%	0.641	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-5.1	-179.2	-66.9	169.2	0	0	0	112.1	M130 M132	M130-I134 HydrophobicContact CG-CD1 4.1Å; M130-I134 WeakPolarHBondContact O-CD1 3.11Å; M130-I134 VanDerWaalsContact O-CG1 3.28Å; M130-I134 WeakPolarHBondContact O-CG1 3.37Å; M130-I134 PolarHBondContact O-N 2.8Å; M132-I134 VanDerWaalsContact C-N 3.28Å; M132-I134 PolarHBondContact O-N 2.88Å
135	K	33.9	Very low	34.4	Very low	177 Å²	177	136.9 Å²	136.9	77%	0.77	71%	0.71	S	S	*	*	S	Bend	trans	-113.7	12.8	-176.6	-78.5	-172.2	172.5	-176.7	0	115.5	M132	M132-K135 PolarHBondContact O-N 3.16Å
136	M	32.8	Very low	33.2	Very low	175 Å²	175	136.7 Å²	136.7	86%	0.862	72%	0.72	S	S	*	*			trans	-115.3	57.1	171.8	-74.8	-154.4	169.4	0	0	112.7
137	D	29.5	Very low	32.5	Very low	157 Å²	157	139.5 Å²	139.5	84%	0.84	73%	0.733	S	S	*	*			trans	-132.7	82.3	164.7	-95.6	-40.1	0	0	0	109.6
138	S	29.2	Very low	32	Very low	119 Å²	119	139.5 Å²	139.5	83%	0.832	74%	0.742	S	S	*	*			trans	-163.1	145.3	164.1	-80.8	0	0	0	0	109.8
139	P	31.1	Very low	31.6	Very low	110 Å²	110	137.3 Å²	137.3	71%	0.714	75%	0.748	S	S	*	*				-131	174.9	-129.6	42.6	-28.9	0	0	0	116.3
140	I	27.9	Very low	31.1	Very low	158 Å²	158	142.4 Å²	142.4	81%	0.81	76%	0.763	S	S	*	*			trans	77.9	148.6	165	-56	170.9	0	0	0	114
141	P	29.4	Very low	31	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	77%	0.77	S	S	*	*			cis	-123	164	6.5	15.6	9.9	0	0	0	118.8
142	V	27.1	Very low	30.9	Very low	133 Å²	133	142.2 Å²	142.2	81%	0.806	77%	0.766	S	S	*	*			trans	-52.8	135.4	164.9	-176.8	0	0	0	0	114
143	D	32.5	Very low	30.8	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	77%	0.765	S	S	*	*				-152.8	171.5	128.7	-137.3	-30.6	0	0	0	112.8
144	S	28	Very low	30.7	Very low	77 Å²	77	140.2 Å²	140.2	54%	0.538	76%	0.764	S	S	.	*			trans	-129.3	160.2	-140.1	58.5	0	0	0	0	115.7
145	K	32.4	Very low	30.4	Very low	198 Å²	198	141.8 Å²	141.8	86%	0.861	77%	0.766	S	S	*	*			trans	84.8	93.4	168.4	-50.5	161.2	-173.8	168.2	0	117.7
146	S	32.3	Very low	30.1	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	77%	0.77	S	S	*	*			trans	-168.3	121.4	133.9	-166.1	0	0	0	0	113.3
147	I	34.8	Very low	29.9	Very low	152 Å²	152	138.1 Å²	138.1	78%	0.779	76%	0.762	S	S	*	*			trans	54.4	94.5	150.2	-55.5	168.8	0	0	0	118.7	G149	I147-G149 PolarHBondContact O-N 2.65Å
148	N	29.3	Very low	29.9	Very low	173 Å²	173	136.1 Å²	136.1	93%	0.925	75%	0.751	S	S	*	*			trans	11.2	70.7	137.4	-65.4	-17.3	0	0	0	119.2
149	G	29.8	Very low	30	Very low	61 Å²	61	137.3 Å²	137.3	63%	0.629	75%	0.748	S	S	*	*			trans	-109.1	101.3	161.1	0	0	0	0	0	110.7	I147 L151	I147-G149 PolarHBondContact O-N 2.65Å; G149-L151 PolarHBondContact O-N 3.31Å
150	R	27.4	Very low	30.1	Very low	263 Å²	263	140 Å²	140	99%	0.992	75%	0.753	S	S	*	*			trans	-76.2	66.7	-177.1	-160.9	-176.6	-161.9	-178	6.3	111.8
151	L	31	Very low	30.9	Very low	154 Å²	154	138 Å²	138	81%	0.806	74%	0.744	S	S	*	*			trans	-86.3	124.7	177	-88.2	157.6	0	0	0	111	G149	G149-L151 PolarHBondContact O-N 3.31Å
152	N	28.7	Very low	32	Very low	110 Å²	110	139.2 Å²	139.2	59%	0.588	75%	0.745	S	S	*	*			trans	-73.8	128.8	-172.6	-146.2	1.5	0	0	0	110	N154 K155	N152-N154 PolarHBondContact O-N 3.28Å; N152-N154 VanDerWaalsContact O-N 3.09Å; N152-K155 PolarHBondContact O-N 3.44Å
153	P	30.3	Very low	33.8	Very low	106 Å²	106	133.7 Å²	133.7	69%	0.688	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-63.7	-16.7	-179.7	23.5	-32.5	0	0	0	113.5	K155	P153-K155 PolarHBondContact O-N 3.07Å; P153-K155 VanDerWaalsContact O-N 3.08Å
154	N	30.8	Very low	35.5	Very low	120 Å²	120	128.7 Å²	128.7	64%	0.642	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-80.2	30.5	175.1	-60.9	1.4	0	0	0	113.5	N152	N152-N154 PolarHBondContact O-N 3.28Å; N152-N154 VanDerWaalsContact O-N 3.09Å
155	K	30.6	Very low	37.4	Very low	158 Å²	158	126 Å²	126	69%	0.687	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-128.6	8	178.9	-125.6	-176.5	-176.4	-173.7	0	115.2	N152 P153	N152-K155 PolarHBondContact O-N 3.44Å; P153-K155 PolarHBondContact O-N 3.07Å; P153-K155 VanDerWaalsContact O-N 3.08Å
156	L	27.4	Very low	39.3	Very low	164 Å²	164	125.4 Å²	125.4	86%	0.859	67%	0.667	S	S	*	*	S	Bend	trans	-108.9	0.9	172	-93.4	102	0	0	0	114.4
157	T	29.1	Very low	41.4	Very low	111 Å²	111	122.4 Å²	122.4	68%	0.681	64%	0.641	S	S	*	*	S	Bend	trans	-102.5	-6.2	177.6	50.4	0	0	0	0	114.6
158	D	28.1	Very low	43.6	Very low	116 Å²	116	115.1 Å²	115.1	62%	0.62	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	5.5	-168.8	-76.7	-5.2	0	0	0	115.1
159	N	32.3	Very low	46.3	Very low	143 Å²	143	107.6 Å²	107.6	77%	0.765	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	14.8	-175.9	-83.1	-11	0	0	0	115.2	N161	N159-N161 VanDerWaalsContact C-N 3.34Å; N159-N161 PolarHBondContact O-N 3.04Å
160	M	33.8	Very low	49.1	Very low	166 Å²	166	109.4 Å²	109.4	82%	0.818	56%	0.559	S	S	*	*	S	Bend	trans	-83.5	86.7	155.2	-72.1	-161.4	87	0	0	108.3	N162	M160-N162 PolarHBondContact O-N 2.95Å; M160-N162 VanDerWaalsContact O-N 3.12Å
161	N	44	Very low	52.1	Low	117 Å²	117	97.7 Å²	97.7	63%	0.626	52%	0.515	S	S	*	.			trans	-53.3	117.2	-175.4	-76.5	-34.5	0	0	0	111.8	N159 C163	N159-N161 VanDerWaalsContact C-N 3.34Å; N159-N161 PolarHBondContact O-N 3.04Å; N161-C163 PolarHBondContact O-N 2.76Å
162	N	52.7	Low	54.8	Low	143 Å²	143	92.8 Å²	92.8	77%	0.765	49%	0.489	S	S	*	.			trans	-69.1	92.4	175	-144.6	7.1	0	0	0	108.6	M160 S164	M160-N162 PolarHBondContact O-N 2.95Å; M160-N162 VanDerWaalsContact O-N 3.12Å; N162-S164 PolarHBondContact O-N 2.86Å
163	C	65.2	Low	57.4	Low	16 Å²	16	89.8 Å²	89.8	11%	0.108	47%	0.471	C	S	.	.			trans	-60.7	115.8	177.2	170.6	0	0	0	0	109.6	N161 C231	N161-C163 PolarHBondContact O-N 2.76Å; C163-C231 HydrophobicContact CB-CB 3.88Å; C163-C231 WeakPolarHBondContact CB-SG 3.28Å; C163-C231 WeakPolarHBondContact SG-CB 3.39Å; C163-C231 CovalentContact SG-SG 2.03Å; C163-C231 PolarHBondContact SG-SG 3.13Å
164	S	68.2	Low	59.5	Low	48 Å²	48	85.4 Å²	85.4	34%	0.336	44%	0.442	S	S	.	.			trans	-83	154.9	175.2	65.9	0	0	0	0	111.3	N162 K166 E167	N162-S164 PolarHBondContact O-N 2.86Å; S164-K166 PolarHBondContact O-N 2.93Å; S164-E167 WeakPolarHBondContact CB-OE2 3.49Å; S164-E167 PolarHBondContact N-OE2 3.18Å; S164-E167 WeakPolarHBondContact O-CA 3.06Å; S164-E167 WeakPolarHBondContact O-CB 3.07Å; S164-E167 PolarHBondContact O-N 3.23Å; S164-E167 WeakPolarHBondContact OG-CG 3.45Å; S164-E167 PolarHBondContact OG-OE2 2.76Å
165	S	68.2	Low	61.2	Low	20 Å²	20	83 Å²	83	14%	0.14	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-53.6	-36.9	178.4	40.8	0	0	0	0	113.7	E167 L168 E202	S165-E167 PolarHBondContact O-N 2.84Å; S165-L168 PolarHBondContact O-N 3.12Å; S165-E202 WeakPolarHBondContact CB-OE2 3.29Å; S165-E202 PolarHBondContact OG-OE2 3.19Å
166	K	70.5	Confident	62.4	Low	186 Å²	186	81.2 Å²	81.2	81%	0.809	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-64.4	-16.7	175.2	-66.3	-173.9	178.4	-178.5	0	114.5	S164	S164-K166 PolarHBondContact O-N 2.93Å
167	E	76.4	Confident	63.4	Low	43 Å²	43	83.7 Å²	83.7	20%	0.201	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-96.4	-1.8	-178.6	-65.9	163.9	147.6	0	0	112.5	S164 S165 P226 K230 C231	S164-E167 WeakPolarHBondContact CB-OE2 3.49Å; S164-E167 PolarHBondContact N-OE2 3.18Å; S164-E167 WeakPolarHBondContact O-CA 3.06Å; S164-E167 WeakPolarHBondContact O-CB 3.07Å; S164-E167 PolarHBondContact O-N 3.23Å; S164-E167 WeakPolarHBondContact OG-CG 3.45Å; S164-E167 PolarHBondContact OG-OE2 2.76Å; S165-E167 PolarHBondContact O-N 2.84Å; E167-P226 WeakPolarHBondContact O-CB 3.46Å; E167-P226 WeakPolarHBondContact O-CG 3.35Å; E167-K230 HydrophobicContact CG-CD 4.33Å; E167-K230 WeakPolarHBondContact OE1-CD 3.33Å; E167-K230 WeakPolarHBondContact OE1-CE 3.23Å; E167-K230 IonicContact OE1-NZ 2.67Å; E167-K230 PolarHBondContact OE1-NZ 3.37Å; E167-C231 WeakPolarHBondContact CB-SG 3.31Å; E167-C231 PolarHBondContact O-SG 3.01Å
168	L	82.2	Confident	64.4	Low	0 Å²	0	81.4 Å²	81.4	0%	0	41%	0.411	C	S	.	.	S	Bend	trans	-88.3	-9.3	170.1	-64.6	171.8	0	0	0	113.3	L25 I121 P123 S165 L204 W223 C231 I234	L25-L168 HydrophobicContact CD2-CD1 3.88Å; I121-L168 HydrophobicContact CG2-CB 4.08Å; P123-L168 HydrophobicContact CB-CD2 4.14Å; S165-L168 PolarHBondContact O-N 3.12Å; L168-L204 HydrophobicContact CB-CD2 4Å; L168-L204 HydrophobicContact CD1-CD1 3.87Å; L168-L204 HydrophobicContact CD1-CD2 3.82Å; L168-W223 PolarHBondContact O-NE1 3.02Å; L168-W223 VanDerWaalsContact O-NE1 3.12Å; L168-C231 HydrophobicContact CD2-CB 4.12Å; L168-I234 HydrophobicContact CD2-CG2 3.66Å
169	G	85.3	Confident	65.1	Low	14 Å²	14	78.2 Å²	78.2	14%	0.144	40%	0.398	C	S	.	.			trans	104.5	-171.2	-176.2	0	0	0	0	0	113.4	K224	G169-K224 CarbonylContact C-O 3.51Å; G169-K224 WeakPolarHBondContact CA-O 3.48Å
170	E	88.7	Confident	65.3	Low	99 Å²	99	78.1 Å²	78.1	46%	0.463	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.5	-169.1	178.8	180	-155.8	0	0	110.7	K224	E170-K224 HydrophobicContact CB-CB 4.36Å; E170-K224 PolarHBondContact N-O 2.79Å; E170-K224 PolarHBondContact O-N 3.22Å; E170-K224 IonicContact OE2-NZ 2.75Å; E170-K224 PolarHBondContact OE2-NZ 2.9Å
171	W	90.3	Very high	65.7	Low	17 Å²	17	76.7 Å²	76.7	6%	0.064	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.2	170.4	-68.3	124.5	0	0	0	110.7	V103 I119 I121 G203 L204 A206 V221 W223 I236	V103-W171 HydrophobicContact CB-CH2 4.32Å; V103-W171 HydrophobicContact CB-CZ3 3.96Å; V103-W171 HydrophobicContact CG1-CH2 4.26Å; V103-W171 HydrophobicContact CG1-CZ3 4.39Å; V103-W171 HydrophobicContact CG2-CH2 4.13Å; V103-W171 HydrophobicContact CG2-CZ3 3.72Å; I119-W171 HydrophobicContact CB-CH2 4.49Å; I119-W171 HydrophobicContact CB-CZ2 4.37Å; I119-W171 HydrophobicContact CG2-CH2 3.58Å; I119-W171 HydrophobicContact CG2-CZ2 3.68Å; I121-W171 HydrophobicContact CD1-CD2 4.39Å; I121-W171 HydrophobicContact CD1-CH2 4.19Å; I121-W171 HydrophobicContact CD1-CZ2 3.63Å; I121-W171 HydrophobicContact CG1-CH2 4.2Å; I121-W171 HydrophobicContact CG1-CZ2 3.39Å; W171-G203 VanDerWaalsContact CD1-O 3.22Å; W171-L204 PolarHBondContact NE1-O 3.32Å; W171-A206 HydrophobicContact CD2-CB 4.23Å; W171-A206 HydrophobicContact CG-CB 4.29Å; W171-V221 HydrophobicContact CB-CG2 4.21Å; W171-V221 HydrophobicContact CD2-CG1 4.45Å; W171-V221 HydrophobicContact CD2-CG2 4.22Å; W171-V221 HydrophobicContact CE3-CB 4.24Å; W171-V221 HydrophobicContact CE3-CG1 3.58Å; W171-V221 HydrophobicContact CE3-CG2 3.65Å; W171-V221 HydrophobicContact CG-CG2 4.49Å; W171-V221 HydrophobicContact CH2-CG1 4.17Å; W171-V221 HydrophobicContact CZ3-CB 4.48Å; W171-V221 HydrophobicContact CZ3-CG1 3.4Å; W171-V221 HydrophobicContact CZ3-CG2 4.36Å; W171-W223 HydrophobicContact CE3-CB 3.93Å; W171-W223 HydrophobicContact CH2-CB 4.46Å; W171-W223 HydrophobicContact CZ3-CB 3.65Å; W171-W223 HydrophobicContact CZ3-CG 4.39Å; W171-I236 HydrophobicContact CH2-CG2 4.03Å; W171-I236 HydrophobicContact CZ2-CG2 4.44Å
172	I	87.6	Confident	65.6	Low	51 Å²	51	78.7 Å²	78.7	26%	0.262	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.1	173.7	-61.8	170.6	0	0	0	107.2	I222 K224	I172-I222 HydrophobicContact CB-CB 3.96Å; I172-I222 HydrophobicContact CB-CG2 4.13Å; I172-I222 HydrophobicContact CD1-CG2 4.19Å; I172-I222 HydrophobicContact CG2-CB 4.44Å; I172-I222 PolarHBondContact N-O 2.84Å; I172-I222 PolarHBondContact O-N 2.82Å; I172-K224 HydrophobicContact CD1-CB 4.07Å; I172-K224 HydrophobicContact CD1-CD 4.17Å
173	H	84.9	Confident	65.3	Low	48 Å²	48	78.1 Å²	78.1	22%	0.222	40%	0.395	C	S	.	.			trans	-81.3	131.4	178.6	-61.4	-71.4	0	0	0	110.8	T195 Q196 T197	H173-T195 WeakPolarHBondContact ND1-CB 3.39Å; H173-T195 PolarHBondContact ND1-O 3.37Å; H173-T195 PolarHBondContact ND1-OG1 2.83Å; H173-Q196 PolarHBondContact CE1-O 3.4Å; H173-T197 PolarHBondContact CE1-N 2.98Å; H173-T197 PolarHBondContact NE2-N 3.26Å; H173-T197 VanDerWaalsContact NE2-N 3.11Å; H173-T197 PolarHBondContact NE2-OG1 3.04Å
174	L	74.3	Confident	64.5	Low	14 Å²	14	78 Å²	78	7%	0.073	39%	0.393	C	S	.	.			trans	-81.1	139.9	178.2	-56.3	168.6	0	0	0	110	W188 I220 I222	L174-W188 HydrophobicContact CB-CH2 4.27Å; L174-W188 HydrophobicContact CB-CZ2 3.39Å; L174-W188 HydrophobicContact CD1-CZ2 4.47Å; L174-I220 HydrophobicContact CD1-CB 4.34Å; L174-I220 HydrophobicContact CD1-CG2 3.82Å; L174-I222 HydrophobicContact CD2-CD1 3.65Å; L174-I222 HydrophobicContact CD2-CG1 4.1Å
175	T	66	Low	63.5	Low	68 Å²	68	78.9 Å²	78.9	42%	0.417	40%	0.399	S	S	.	.			trans	-110.4	157.4	-178.8	77	0	0	0	0	112.2	R177 D178	T175-R177 PolarHBondContact O-N 2.91Å; T175-R177 PolarHBondContact OG1-N 3.45Å; T175-D178 WeakPolarHBondContact CA-OD2 3.48Å; T175-D178 WeakPolarHBondContact CB-OD2 3.25Å; T175-D178 PolarHBondContact N-OD2 3.48Å; T175-D178 PolarHBondContact O-N 3.36Å; T175-D178 VanDerWaalsContact OG1-CG 3.28Å; T175-D178 PolarHBondContact OG1-OD2 2.91Å
176	N	54.9	Low	62.6	Low	121 Å²	121	84.3 Å²	84.3	65%	0.647	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	1.9	173.6	-81.4	15	0	0	0	114.8	S179	N176-S179 PolarHBondContact O-OG 3.32Å
177	R	48.5	Very low	61.7	Low	217 Å²	217	77 Å²	77	82%	0.819	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-22.3	170	-79.8	-174.7	171	-176.7	-2.8	112.9	T175 S179	T175-R177 PolarHBondContact O-N 2.91Å; T175-R177 PolarHBondContact OG1-N 3.45Å; R177-S179 PolarHBondContact O-N 2.89Å
178	D	50.6	Low	60.6	Low	63 Å²	63	77.1 Å²	77.1	34%	0.337	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-76.7	-9.1	-177.5	-50.5	-47	0	0	0	111.8	T175 N180 L184	T175-D178 WeakPolarHBondContact CA-OD2 3.48Å; T175-D178 WeakPolarHBondContact CB-OD2 3.25Å; T175-D178 PolarHBondContact N-OD2 3.48Å; T175-D178 PolarHBondContact O-N 3.36Å; T175-D178 VanDerWaalsContact OG1-CG 3.28Å; T175-D178 PolarHBondContact OG1-OD2 2.91Å; D178-N180 PolarHBondContact O-N 3.11Å; D178-L184 HydrophobicContact CB-CD1 4.06Å; D178-L184 WeakPolarHBondContact O-CD1 3.35Å
179	S	41.7	Very low	59.4	Low	49 Å²	49	79.1 Å²	79.1	34%	0.343	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-69.2	-6.5	173.5	62.5	0	0	0	0	114.8	N176 R177	N176-S179 PolarHBondContact O-OG 3.32Å; R177-S179 PolarHBondContact O-N 2.89Å
180	N	37.8	Very low	58	Low	141 Å²	141	83.9 Å²	83.9	75%	0.754	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-96.1	-1.1	-178.4	-76.5	0.5	0	0	0	113.9	D178	D178-N180 PolarHBondContact O-N 3.11Å
181	E	41	Very low	56.7	Low	136 Å²	136	83.2 Å²	83.2	64%	0.636	43%	0.43	S	S	*	.	S	Bend	trans	-89.2	128.4	163.8	-68.4	-168.9	156	0	0	109.3	I183 L184	E181-I183 PolarHBondContact O-N 3.09Å; E181-L184 PolarHBondContact O-N 3.46Å; E181-L184 VanDerWaalsContact O-N 3.08Å
182	N	43.4	Very low	55.6	Low	158 Å²	158	83.2 Å²	83.2	85%	0.845	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	6.5	-174.7	-67.4	-16.1	0	0	0	115.8
183	I	45.7	Very low	54.9	Low	132 Å²	132	81 Å²	81	68%	0.677	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-17.3	-178.1	-57.6	171.3	0	0	0	110.8	E181	E181-I183 PolarHBondContact O-N 3.09Å
184	L	47.8	Very low	54.6	Low	14 Å²	14	81.2 Å²	81.2	7%	0.073	43%	0.426	C	S	.	.	S	Bend	trans	-108.1	-6.9	-173.5	-83.6	169.6	0	0	0	115.1	Y102 D178 E181 D186 L187 W188	Y102-L184 HydrophobicContact CE1-CD2 4.13Å; D178-L184 HydrophobicContact CB-CD1 4.06Å; D178-L184 WeakPolarHBondContact O-CD1 3.35Å; E181-L184 PolarHBondContact O-N 3.46Å; E181-L184 VanDerWaalsContact O-N 3.08Å; L184-D186 PolarHBondContact O-N 3.32Å; L184-L187 HydrophobicContact CD2-CD1 4.15Å; L184-L187 PolarHBondContact O-N 2.81Å; L184-W188 PolarHBondContact O-N 2.75Å
185	S	47.5	Very low	55.2	Low	65 Å²	65	80.8 Å²	80.8	46%	0.455	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.9	179.3	47.1	0	0	0	0	113.4
186	D	48.9	Very low	56.1	Low	134 Å²	134	80.9 Å²	80.9	72%	0.717	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-16	-167.5	-53.3	-2.3	0	0	0	112.2	L184	L184-D186 PolarHBondContact O-N 3.32Å
187	L	51.9	Low	57.5	Low	32 Å²	32	77.5 Å²	77.5	17%	0.168	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-27.5	174.4	-79.8	154.5	0	0	0	112.1	Y102 I104 L184 I220	Y102-L187 HydrophobicContact CD2-CD1 4.45Å; Y102-L187 HydrophobicContact CE1-CD1 4.28Å; Y102-L187 HydrophobicContact CE2-CD1 4.02Å; I104-L187 HydrophobicContact CD1-CD2 4.2Å; L184-L187 HydrophobicContact CD2-CD1 4.15Å; L184-L187 PolarHBondContact O-N 2.81Å; L187-I220 HydrophobicContact CB-CD1 4.26Å; L187-I220 HydrophobicContact CD2-CD1 4.06Å; L187-I220 WeakPolarHBondContact O-CD1 3.26Å
188	W	53.2	Low	59.2	Low	46 Å²	46	68.1 Å²	68.1	17%	0.174	37%	0.369	C	S	.	.			trans	-99.4	91.2	-175.2	-82.8	98.4	0	0	0	112.9	L174 L184 T192 V194	L174-W188 HydrophobicContact CB-CH2 4.27Å; L174-W188 HydrophobicContact CB-CZ2 3.39Å; L174-W188 HydrophobicContact CD1-CZ2 4.47Å; L184-W188 PolarHBondContact O-N 2.75Å; W188-T192 HydrophobicContact CE3-CG2 4.37Å; W188-V194 HydrophobicContact CH2-CG2 4.26Å; W188-V194 HydrophobicContact CZ3-CG2 4.14Å
189	T	57	Low	60.6	Low	43 Å²	43	73.1 Å²	73.1	26%	0.264	40%	0.395	S	S	.	.			trans	-90.9	164.1	167.7	67	0	0	0	0	111.9	E191 T192 F300	T189-E191 PolarHBondContact O-N 3.42Å; T189-E191 PolarHBondContact OG1-N 2.95Å; T189-T192 PolarHBondContact N-OG1 2.95Å; T189-T192 WeakPolarHBondContact O-CB 3.48Å; T189-T192 PolarHBondContact O-N 3.24Å; T189-T192 PolarHBondContact O-OG1 3.41Å; T189-T192 PolarHBondContact OG1-OG1 2.97Å; T189-F300 HydrophobicContact CG2-CZ 4.16Å
190	T	55.6	Low	62.2	Low	113 Å²	113	74.6 Å²	74.6	69%	0.693	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.6	173.3	73.1	0	0	0	0	114.8	R214	T190-R214 PolarHBondContact OG1-NH2 3.33Å
191	E	61.5	Low	64.4	Low	85 Å²	85	68.2 Å²	68.2	40%	0.397	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	6.2	178.1	-52.3	-178.1	161.4	0	0	112.6	T189 V216 T217	T189-E191 PolarHBondContact O-N 3.42Å; T189-E191 PolarHBondContact OG1-N 2.95Å; E191-V216 VanDerWaalsContact O-CA 3.3Å; E191-V216 WeakPolarHBondContact O-CA 3.38Å; E191-V216 WeakPolarHBondContact O-CB 3.39Å; E191-T217 HydrophobicContact CB-CG2 4.41Å; E191-T217 VanDerWaalsContact CB-OG1 3.25Å; E191-T217 WeakPolarHBondContact CB-OG1 3.35Å; E191-T217 PolarHBondContact O-N 2.8Å; E191-T217 VanDerWaalsContact O-N 3.11Å; E191-T217 WeakPolarHBondContact OE2-CG2 3.02Å; E191-T217 PolarHBondContact OE2-OG1 3.34Å
192	T	67.8	Low	66.2	Low	17 Å²	17	68 Å²	68	10%	0.104	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126	-179.4	-45.2	0	0	0	0	110.2	W188 T189 K218 I220	W188-T192 HydrophobicContact CE3-CG2 4.37Å; T189-T192 PolarHBondContact N-OG1 2.95Å; T189-T192 WeakPolarHBondContact O-CB 3.48Å; T189-T192 PolarHBondContact O-N 3.24Å; T189-T192 PolarHBondContact O-OG1 3.41Å; T189-T192 PolarHBondContact OG1-OG1 2.97Å; T192-K218 WeakPolarHBondContact CA-O 3.22Å; T192-I220 HydrophobicContact CG2-CB 4.41Å; T192-I220 HydrophobicContact CG2-CD1 3.87Å; T192-I220 HydrophobicContact CG2-CG1 3.93Å
193	A	72	Confident	67.9	Low	6 Å²	6	61.8 Å²	61.8	5%	0.05	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.9	177.1	0	0	0	0	0	112.5	K208 V216 K218 M219	A193-K208 HydrophobicContact CB-CB 4.45Å; A193-K208 HydrophobicContact CB-CD 4.19Å; A193-K208 HydrophobicContact CB-CG 3.9Å; A193-V216 HydrophobicContact CB-CB 4.22Å; A193-V216 HydrophobicContact CB-CG1 4.07Å; A193-V216 HydrophobicContact CB-CG2 4.03Å; A193-K218 PolarHBondContact N-O 2.77Å; A193-M219 HydrophobicContact CB-CB 4.06Å; A193-M219 HydrophobicContact CB-CG 4.28Å
194	V	80.1	Confident	69.7	Low	51 Å²	51	55.8 Å²	55.8	31%	0.309	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-68.8	135.6	162.8	-169.3	0	0	0	0	108.8	W188 I209	W188-V194 HydrophobicContact CH2-CG2 4.26Å; W188-V194 HydrophobicContact CZ3-CG2 4.14Å; V194-I209 HydrophobicContact CB-CD1 4.17Å; V194-I209 HydrophobicContact CG1-CD1 3.66Å; V194-I209 HydrophobicContact CG1-CG1 4.48Å; V194-I209 PolarHBondContact O-N 2.8Å
195	T	85.6	Confident	71.7	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.8	-174.3	58.6	0	0	0	0	112.4	H173 E207 M219	H173-T195 WeakPolarHBondContact ND1-CB 3.39Å; H173-T195 PolarHBondContact ND1-O 3.37Å; H173-T195 PolarHBondContact ND1-OG1 2.83Å; T195-E207 CarbonylContact C-O 3.57Å; T195-E207 VanDerWaalsContact CA-O 3.23Å; T195-E207 WeakPolarHBondContact CA-O 3.41Å; T195-M219 HydrophobicContact CG2-CE 3.62Å; T195-M219 HydrophobicContact CG2-CG 3.5Å; T195-M219 HydrophobicContact CG2-SD 4.22Å
196	Q	85.4	Confident	73.7	Confident	69 Å²	69	52 Å²	52	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.6	172	67.5	-177.9	20.4	0	0	111.1	H173 A206 E207 I209	H173-Q196 PolarHBondContact CE1-O 3.4Å; Q196-A206 CarbonylContact O-C 3.55Å; Q196-A206 WeakPolarHBondContact O-CA 3.17Å; Q196-E207 HydrophobicContact CG-CG 3.61Å; Q196-E207 PolarHBondContact N-O 2.8Å; Q196-E207 PolarHBondContact NE2-OE1 3Å; Q196-E207 PolarHBondContact O-N 2.98Å; Q196-I209 HydrophobicContact CB-CD1 4.13Å; Q196-I209 HydrophobicContact CB-CG1 3.81Å; Q196-I209 HydrophobicContact CG-CG1 3.88Å
197	T	85.7	Confident	75.6	Confident	51 Å²	51	46.2 Å²	46.2	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.5	169.4	-68.3	0	0	0	0	109.6	H173 L199 T205	H173-T197 PolarHBondContact CE1-N 2.98Å; H173-T197 PolarHBondContact NE2-N 3.26Å; H173-T197 VanDerWaalsContact NE2-N 3.11Å; H173-T197 PolarHBondContact NE2-OG1 3.04Å; T197-L199 PolarHBondContact O-N 3.42Å; T197-T205 WeakPolarHBondContact CA-O 3.46Å
198	R	84	Confident	77.2	Confident	20 Å²	20	45.1 Å²	45.1	8%	0.075	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-71.9	126.9	171	-174.5	174.4	-68.8	169.7	3.4	111	L30 T33 T35 C201 T205 E207	L30-R198 PolarHBondContact O-NH1 3.03Å; T33-R198 PolarHBondContact O-NH1 3.38Å; T33-R198 PolarHBondContact O-NH2 3.19Å; T33-R198 VanDerWaalsContact O-NH2 3.17Å; T35-R198 PolarHBondContact OG1-NH2 2.87Å; R198-C201 HydrophobicContact CB-CB 4.41Å; R198-C201 PolarHBondContact O-N 3.17Å; R198-T205 WeakPolarHBondContact CB-OG1 3.34Å; R198-T205 PolarHBondContact N-OG1 3.47Å; R198-E207 IonicContact CZ-OE2 2.64Å; R198-E207 IonicContact NE-OE2 2.73Å; R198-E207 PolarHBondContact NE-OE2 3.42Å; R198-E207 IonicContact NH2-OE2 2.77Å; R198-E207 PolarHBondContact NH2-OE2 2.94Å
199	L	80.1	Confident	78.5	Confident	168 Å²	168	45.4 Å²	45.4	88%	0.88	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	137.8	175.1	-75	97.3	0	0	0	111.2	T197	T197-L199 PolarHBondContact O-N 3.42Å
200	G	75	Confident	78.7	Confident	80 Å²	80	46.7 Å²	46.7	83%	0.825	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-3.5	-179.9	0	0	0	0	0	115.4
201	C	82.7	Confident	78.7	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.041	28%	0.283	C	S	.	.	S	Bend	trans	-106.5	33.2	-177.4	-60.6	0	0	0	0	113.7	C31 R198 G203 L204 T205	C31-C201 WeakPolarHBondContact CA-SG 3.46Å; C31-C201 HydrophobicContact CB-CB 3.73Å; C31-C201 WeakPolarHBondContact CB-SG 3.04Å; C31-C201 WeakPolarHBondContact SG-CA 3.05Å; C31-C201 WeakPolarHBondContact SG-CB 3.07Å; C31-C201 CovalentContact SG-SG 2.03Å; C31-C201 PolarHBondContact SG-SG 2.03Å; R198-C201 HydrophobicContact CB-CB 4.41Å; R198-C201 PolarHBondContact O-N 3.17Å; C201-G203 PolarHBondContact O-N 2.82Å; C201-L204 PolarHBondContact O-N 3.35Å; C201-T205 HydrophobicContact CB-CG2 3.64Å; C201-T205 WeakPolarHBondContact CB-OG1 3.44Å
202	E	78.7	Confident	78.4	Confident	131 Å²	131	52.6 Å²	52.6	61%	0.612	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	16.7	176.3	-58.7	-163.9	-172.4	0	0	117.3	S165 L204	S165-E202 WeakPolarHBondContact CB-OE2 3.29Å; S165-E202 PolarHBondContact OG-OE2 3.19Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 HydrophobicContact CB-CG 4.39Å
203	G	79.6	Confident	78.1	Confident	29 Å²	29	60.8 Å²	60.8	30%	0.299	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	11	-173.8	0	0	0	0	0	114.4	W171 C201	W171-G203 VanDerWaalsContact CD1-O 3.22Å; C201-G203 PolarHBondContact O-N 2.82Å
204	L	84.4	Confident	77.9	Confident	5 Å²	5	67 Å²	67	3%	0.026	35%	0.351	C	S	.	.			trans	-90	-4.3	-177.6	-63	-180	0	0	0	113.9	L25 L27 W120 I121 L168 W171 C201 E202	L25-L204 HydrophobicContact CD2-CD1 4.16Å; L27-L204 HydrophobicContact CD1-CD1 3.87Å; L27-L204 HydrophobicContact CD2-CB 4.08Å; L27-L204 HydrophobicContact CG-CD1 4.45Å; W120-L204 VanDerWaalsContact CA-O 3.25Å; W120-L204 WeakPolarHBondContact CA-O 3.32Å; I121-L204 PolarHBondContact N-O 3.43Å; I121-L204 VanDerWaalsContact N-O 3.08Å; L168-L204 HydrophobicContact CB-CD2 4Å; L168-L204 HydrophobicContact CD1-CD1 3.87Å; L168-L204 HydrophobicContact CD1-CD2 3.82Å; W171-L204 PolarHBondContact NE1-O 3.32Å; C201-L204 PolarHBondContact O-N 3.35Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 HydrophobicContact CB-CG 4.39Å
205	T	89.6	Confident	77.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138	-176.9	55.3	0	0	0	0	111.9	L27 C31 L118 I119 W120 T197 R198 C201	L27-T205 HydrophobicContact CD2-CG2 3.95Å; C31-T205 HydrophobicContact CB-CG2 4.05Å; C31-T205 WeakPolarHBondContact O-CG2 3.4Å; L118-T205 HydrophobicContact CD1-CG2 4.47Å; I119-T205 CarbonylContact O-C 3.55Å; I119-T205 WeakPolarHBondContact O-CA 3.14Å; W120-T205 HydrophobicContact CB-CG2 3.98Å; T197-T205 WeakPolarHBondContact CA-O 3.46Å; R198-T205 WeakPolarHBondContact CB-OG1 3.34Å; R198-T205 PolarHBondContact N-OG1 3.47Å; C201-T205 HydrophobicContact CB-CG2 3.64Å; C201-T205 WeakPolarHBondContact CB-OG1 3.44Å
206	A	89.9	Confident	77.5	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125	164.5	0	0	0	0	0	109.5	L118 I119 W171 Q196 M219 V221	L118-A206 CarbonylContact C-O 3.44Å; L118-A206 WeakPolarHBondContact CA-O 3.25Å; I119-A206 PolarHBondContact N-O 3.04Å; I119-A206 PolarHBondContact O-N 2.73Å; W171-A206 HydrophobicContact CD2-CB 4.23Å; W171-A206 HydrophobicContact CG-CB 4.29Å; Q196-A206 CarbonylContact O-C 3.55Å; Q196-A206 WeakPolarHBondContact O-CA 3.17Å; A206-M219 HydrophobicContact CB-CE 4.44Å; A206-M219 WeakPolarHBondContact O-CE 3.37Å; A206-V221 HydrophobicContact CB-CB 4.39Å; A206-V221 HydrophobicContact CB-CG1 4.19Å; A206-V221 HydrophobicContact CB-CG2 4.1Å
207	E	88.8	Confident	77.4	Confident	13 Å²	13	65.4 Å²	65.4	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.3	180	67.5	-178.7	-173.2	0	0	111.7	T35 G117 L118 T195 Q196 R198	T35-E207 PolarHBondContact OG1-OE2 3.3Å; T35-E207 VanDerWaalsContact OG1-OE2 3.1Å; G117-E207 WeakPolarHBondContact O-CA 3.49Å; L118-E207 HydrophobicContact CD1-CB 3.99Å; T195-E207 CarbonylContact C-O 3.57Å; T195-E207 VanDerWaalsContact CA-O 3.23Å; T195-E207 WeakPolarHBondContact CA-O 3.41Å; Q196-E207 HydrophobicContact CG-CG 3.61Å; Q196-E207 PolarHBondContact N-O 2.8Å; Q196-E207 PolarHBondContact NE2-OE1 3Å; Q196-E207 PolarHBondContact O-N 2.98Å; R198-E207 IonicContact CZ-OE2 2.64Å; R198-E207 IonicContact NE-OE2 2.73Å; R198-E207 PolarHBondContact NE-OE2 3.42Å; R198-E207 IonicContact NH2-OE2 2.77Å; R198-E207 PolarHBondContact NH2-OE2 2.94Å
208	K	85.6	Confident	77.4	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.9	172.8	178.3	-179.7	177.6	-173.4	0	110.9	L115 G117 A193 T210 R214 V216 M219	L115-K208 WeakPolarHBondContact O-CD 3.26Å; L115-K208 PolarHBondContact O-NZ 3.25Å; G117-K208 PolarHBondContact O-N 3.07Å; A193-K208 HydrophobicContact CB-CB 4.45Å; A193-K208 HydrophobicContact CB-CD 4.19Å; A193-K208 HydrophobicContact CB-CG 3.9Å; K208-T210 PolarHBondContact O-N 2.79Å; K208-R214 PolarHBondContact NZ-O 3.03Å; K208-V216 HydrophobicContact CD-CG2 4Å; K208-M219 HydrophobicContact CB-SD 4.49Å
209	I	78.8	Confident	77.6	Confident	52 Å²	52	63.4 Å²	63.4	27%	0.267	33%	0.33	S	S	.	.			trans	-68.6	115.8	174.2	-60	-176.3	0	0	0	110.1	V194 Q196 R211	V194-I209 HydrophobicContact CB-CD1 4.17Å; V194-I209 HydrophobicContact CG1-CD1 3.66Å; V194-I209 HydrophobicContact CG1-CG1 4.48Å; V194-I209 PolarHBondContact O-N 2.8Å; Q196-I209 HydrophobicContact CB-CD1 4.13Å; Q196-I209 HydrophobicContact CB-CG1 3.81Å; Q196-I209 HydrophobicContact CG-CG1 3.88Å; I209-R211 HydrophobicContact CG2-CB 4.24Å; I209-R211 HydrophobicContact CG2-CG 4.26Å; I209-R211 PolarHBondContact O-N 3.42Å
210	T	62	Low	77.9	Confident	70 Å²	70	55.7 Å²	55.7	43%	0.429	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	29	-173.5	35.1	0	0	0	0	115.4	T35 K208	T35-T210 HydrophobicContact CG2-CG2 4.01Å; K208-T210 PolarHBondContact O-N 2.79Å
211	R	56	Low	78.7	Confident	231 Å²	231	51.9 Å²	51.9	87%	0.872	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.5	179.8	-91.3	-176	170.4	162.9	-1.3	115.3	I209	I209-R211 HydrophobicContact CG2-CB 4.24Å; I209-R211 HydrophobicContact CG2-CG 4.26Å; I209-R211 PolarHBondContact O-N 3.42Å
212	T	53.7	Low	79.1	Confident	91 Å²	91	52.2 Å²	52.2	56%	0.558	25%	0.252	S	S	*	.			trans	-143.6	140	175	59.1	0	0	0	0	111.2	R214	T212-R214 PolarHBondContact O-N 3.31Å; T212-R214 VanDerWaalsContact O-N 3.07Å
213	Q	62	Low	79.7	Confident	189 Å²	189	46 Å²	46	88%	0.883	22%	0.222	S	C	*	.			trans	-75.3	21	170.6	-72.4	-175.5	-30	0	0	112.8
214	R	68.3	Low	80.3	Confident	137 Å²	137	48.4 Å²	48.4	52%	0.517	23%	0.225	S	C	.	.			trans	-77.5	132.6	-175.7	-166.7	178.2	173.4	177.9	-6.4	110.1	T190 K208 T212	T190-R214 PolarHBondContact OG1-NH2 3.33Å; K208-R214 PolarHBondContact NZ-O 3.03Å; T212-R214 PolarHBondContact O-N 3.31Å; T212-R214 VanDerWaalsContact O-N 3.07Å
215	L	75.7	Confident	80.4	Confident	69 Å²	69	48.3 Å²	48.3	36%	0.361	23%	0.225	S	C	.	.			trans	-55.1	135.5	165.5	-100.8	155.9	0	0	0	110.4	G113 H243	G113-L215 WeakPolarHBondContact O-CD2 3.42Å; L215-H243 HydrophobicContact CD1-CB 3.9Å; L215-H243 HydrophobicContact CD2-CB 3.96Å; L215-H243 HydrophobicContact CG-CB 4.12Å
216	V	81	Confident	80.2	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-124.4	140	175.7	-68.2	0	0	0	0	109.5	G113 F114 E191 A193 K208	G113-V216 CarbonylContact C-O 3.09Å; G113-V216 WeakPolarHBondContact CA-O 3.47Å; F114-V216 HydrophobicContact CD1-CG2 4.47Å; F114-V216 WeakPolarHBondContact CD1-O 3.41Å; F114-V216 HydrophobicContact CD2-CG2 3.73Å; F114-V216 HydrophobicContact CE1-CG2 4.31Å; F114-V216 HydrophobicContact CE2-CG2 3.54Å; F114-V216 HydrophobicContact CG-CG2 4.21Å; F114-V216 HydrophobicContact CZ-CG2 3.86Å; F114-V216 PolarHBondContact N-O 3.24Å; F114-V216 WeakPolarHBondContact O-CG2 3.3Å; F114-V216 PolarHBondContact O-N 2.04Å; F114-V216 VanDerWaalsContact O-N 3.08Å; E191-V216 VanDerWaalsContact O-CA 3.3Å; E191-V216 WeakPolarHBondContact O-CA 3.38Å; E191-V216 WeakPolarHBondContact O-CB 3.39Å; A193-V216 HydrophobicContact CB-CB 4.22Å; A193-V216 HydrophobicContact CB-CG1 4.07Å; A193-V216 HydrophobicContact CB-CG2 4.03Å; K208-V216 HydrophobicContact CD-CG2 4Å
217	T	83.1	Confident	79.7	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.086	27%	0.265	C	S	.	.	S	Bend	trans	-95.1	-19.4	-179.6	54.2	0	0	0	0	112.2	T106 H110 E191	T106-T217 PolarHBondContact OG1-O 2.76Å; H110-T217 VanDerWaalsContact O-CG2 3.29Å; H110-T217 WeakPolarHBondContact O-CG2 3.42Å; E191-T217 HydrophobicContact CB-CG2 4.41Å; E191-T217 VanDerWaalsContact CB-OG1 3.25Å; E191-T217 WeakPolarHBondContact CB-OG1 3.35Å; E191-T217 PolarHBondContact O-N 2.8Å; E191-T217 VanDerWaalsContact O-N 3.11Å; E191-T217 WeakPolarHBondContact OE2-CG2 3.02Å; E191-T217 PolarHBondContact OE2-OG1 3.34Å
218	K	85.5	Confident	78.8	Confident	29 Å²	29	62.2 Å²	62.2	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.5	-179.2	-63.6	173.9	-173.4	167.5	0	111.1	L105 T192 A193	L105-K218 WeakPolarHBondContact O-CA 3.24Å; T192-K218 WeakPolarHBondContact CA-O 3.22Å; A193-K218 PolarHBondContact N-O 2.77Å
219	M	88	Confident	77.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.6	167	171.6	176.3	168.1	0	0	107.6	L105 F114 I119 A193 T195 A206 K208	L105-M219 HydrophobicContact CB-CB 4.23Å; L105-M219 HydrophobicContact CD2-SD 4.16Å; L105-M219 PolarHBondContact N-O 3.28Å; L105-M219 PolarHBondContact O-N 3.03Å; F114-M219 HydrophobicContact CE2-CB 3.95Å; F114-M219 HydrophobicContact CE2-SD 4.39Å; F114-M219 HydrophobicContact CZ-CB 3.59Å; I119-M219 HydrophobicContact CD1-CE 4.08Å; I119-M219 HydrophobicContact CD1-CG 4.44Å; I119-M219 HydrophobicContact CD1-SD 4.47Å; I119-M219 HydrophobicContact CG1-CE 3.99Å; A193-M219 HydrophobicContact CB-CB 4.06Å; A193-M219 HydrophobicContact CB-CG 4.28Å; T195-M219 HydrophobicContact CG2-CE 3.62Å; T195-M219 HydrophobicContact CG2-CG 3.5Å; T195-M219 HydrophobicContact CG2-SD 4.22Å; A206-M219 HydrophobicContact CB-CE 4.44Å; A206-M219 WeakPolarHBondContact O-CE 3.37Å; K208-M219 HydrophobicContact CB-SD 4.49Å
220	I	88.1	Confident	77.5	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133	-172.6	-52	179.7	0	0	0	108.8	Y102 I104 L174 L187 T192	Y102-I220 HydrophobicContact CD1-CG2 4.18Å; I104-I220 HydrophobicContact CG1-CG1 4.28Å; I104-I220 HydrophobicContact CG1-CG2 4.29Å; I104-I220 HydrophobicContact CG2-CG1 4.33Å; L174-I220 HydrophobicContact CD1-CB 4.34Å; L174-I220 HydrophobicContact CD1-CG2 3.82Å; L187-I220 HydrophobicContact CB-CD1 4.26Å; L187-I220 HydrophobicContact CD2-CD1 4.06Å; L187-I220 WeakPolarHBondContact O-CD1 3.26Å; T192-I220 HydrophobicContact CG2-CB 4.41Å; T192-I220 HydrophobicContact CG2-CD1 3.87Å; T192-I220 HydrophobicContact CG2-CG1 3.93Å
221	V	90.4	Very high	77.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.2	172.9	61.1	0	0	0	0	108.2	V103 I119 W171 A206	V103-V221 HydrophobicContact CB-CG1 4.14Å; V103-V221 PolarHBondContact N-O 2.96Å; V103-V221 PolarHBondContact O-N 2.93Å; V103-V221 VanDerWaalsContact O-N 3.12Å; I119-V221 HydrophobicContact CD1-CG1 4.07Å; W171-V221 HydrophobicContact CB-CG2 4.21Å; W171-V221 HydrophobicContact CD2-CG1 4.45Å; W171-V221 HydrophobicContact CD2-CG2 4.22Å; W171-V221 HydrophobicContact CE3-CB 4.24Å; W171-V221 HydrophobicContact CE3-CG1 3.58Å; W171-V221 HydrophobicContact CE3-CG2 3.65Å; W171-V221 HydrophobicContact CG-CG2 4.49Å; W171-V221 HydrophobicContact CH2-CG1 4.17Å; W171-V221 HydrophobicContact CZ3-CB 4.48Å; W171-V221 HydrophobicContact CZ3-CG1 3.4Å; W171-V221 HydrophobicContact CZ3-CG2 4.36Å; A206-V221 HydrophobicContact CB-CB 4.39Å; A206-V221 HydrophobicContact CB-CG1 4.19Å; A206-V221 HydrophobicContact CB-CG2 4.1Å
222	I	90.9	Very high	78.7	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.5	173.2	-69.9	173.5	0	0	0	108.4	V85 K100 Y101 Y102 I172 L174	V85-I222 HydrophobicContact CG2-CD1 4.27Å; V85-I222 HydrophobicContact CG2-CG1 4.26Å; V85-I222 HydrophobicContact CG2-CG2 4.33Å; K100-I222 HydrophobicContact CB-CG2 4.01Å; K100-I222 HydrophobicContact CD-CG2 4.38Å; K100-I222 HydrophobicContact CG-CG2 4.34Å; Y101-I222 CarbonylContact O-C 3.59Å; Y101-I222 VanDerWaalsContact O-CA 3.31Å; Y101-I222 WeakPolarHBondContact O-CA 3.34Å; Y102-I222 HydrophobicContact CD1-CD1 4.17Å; Y102-I222 HydrophobicContact CD1-CG1 3.58Å; Y102-I222 HydrophobicContact CE1-CD1 3.76Å; Y102-I222 HydrophobicContact CE1-CG1 3.73Å; I172-I222 HydrophobicContact CB-CB 3.96Å; I172-I222 HydrophobicContact CB-CG2 4.13Å; I172-I222 HydrophobicContact CD1-CG2 4.19Å; I172-I222 HydrophobicContact CG2-CB 4.44Å; I172-I222 PolarHBondContact N-O 2.84Å; I172-I222 PolarHBondContact O-N 2.82Å; L174-I222 HydrophobicContact CD2-CD1 3.65Å; L174-I222 HydrophobicContact CD2-CG1 4.1Å
223	W	92.6	Very high	80.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.6	163.9	176.9	60.6	0	0	0	109.9	Y95 K100 Y101 V103 I121 L168 W171 A225 I234 I236 L260	Y95-W223 AromaticContact CD1-CH2 3.94Å; Y95-W223 HydrophobicContact CD1-CH2 3.94Å; Y95-W223 HydrophobicContact CD1-CZ3 4.47Å; Y95-W223 AromaticContact CD2-CH2 3.73Å; Y95-W223 HydrophobicContact CD2-CH2 3.73Å; Y95-W223 HydrophobicContact CD2-CZ3 4.28Å; Y95-W223 HydrophobicContact CE1-CH2 4.22Å; Y95-W223 HydrophobicContact CE2-CH2 4.04Å; Y95-W223 AromaticContact CG-CH2 3.67Å; Y95-W223 HydrophobicContact CG-CH2 3.67Å; Y95-W223 AromaticContact CG-CZ3 3.99Å; Y95-W223 HydrophobicContact CG-CZ3 3.99Å; K100-W223 CarbonylContact C-O 3.49Å; K100-W223 WeakPolarHBondContact CA-O 3.21Å; Y101-W223 AromaticContact CD2-CE3 3.72Å; Y101-W223 HydrophobicContact CD2-CE3 3.72Å; Y101-W223 AromaticContact CD2-CZ3 3.84Å; Y101-W223 HydrophobicContact CD2-CZ3 3.84Å; Y101-W223 HydrophobicContact CE2-CZ3 4.2Å; Y101-W223 HydrophobicContact CG-CE3 4.33Å; Y101-W223 PolarHBondContact N-O 3.11Å; Y101-W223 PolarHBondContact O-N 2.83Å; V103-W223 HydrophobicContact CG2-CB 3.71Å; I121-W223 HydrophobicContact CD1-CG 4.35Å; L168-W223 PolarHBondContact O-NE1 3.02Å; L168-W223 VanDerWaalsContact O-NE1 3.12Å; W171-W223 HydrophobicContact CE3-CB 3.93Å; W171-W223 HydrophobicContact CH2-CB 4.46Å; W171-W223 HydrophobicContact CZ3-CB 3.65Å; W171-W223 HydrophobicContact CZ3-CG 4.39Å; W223-A225 HydrophobicContact CE3-CB 4.48Å; W223-A225 HydrophobicContact CH2-CB 3.62Å; W223-A225 HydrophobicContact CZ2-CB 3.95Å; W223-A225 HydrophobicContact CZ3-CB 3.92Å; W223-I234 HydrophobicContact CH2-CD1 3.52Å; W223-I234 HydrophobicContact CZ2-CD1 3.25Å; W223-I234 HydrophobicContact CZ3-CD1 4.32Å; W223-I236 HydrophobicContact CD2-CD1 4.36Å; W223-I236 HydrophobicContact CE3-CD1 4.38Å; W223-L260 HydrophobicContact CZ3-CD1 4.2Å
224	K	90.9	Very high	81.3	Confident	81 Å²	81	44.8 Å²	44.8	35%	0.352	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.9	171.6	175.4	179.3	155.3	-151.6	0	108.7	K100 G169 E170 I172	K100-K224 HydrophobicContact CG-CB 4.41Å; K100-K224 HydrophobicContact CG-CG 4.46Å; G169-K224 CarbonylContact C-O 3.51Å; G169-K224 WeakPolarHBondContact CA-O 3.48Å; E170-K224 HydrophobicContact CB-CB 4.36Å; E170-K224 PolarHBondContact N-O 2.79Å; E170-K224 PolarHBondContact O-N 3.22Å; E170-K224 IonicContact OE2-NZ 2.75Å; E170-K224 PolarHBondContact OE2-NZ 2.9Å; I172-K224 HydrophobicContact CD1-CB 4.07Å; I172-K224 HydrophobicContact CD1-CD 4.17Å
225	A	88	Confident	82.2	Confident	2 Å²	2	39.6 Å²	39.6	2%	0.017	21%	0.205	C	C	.	.			trans	-63.7	146.5	-178.8	0	0	0	0	0	111.7	Y95 G98 R99 Y101 W223	Y95-A225 HydrophobicContact CD2-CB 3.64Å; Y95-A225 HydrophobicContact CE2-CB 3.99Å; G98-A225 WeakPolarHBondContact CA-O 3.46Å; G98-A225 PolarHBondContact N-O 3.49Å; R99-A225 WeakPolarHBondContact O-CB 3.35Å; R99-A225 PolarHBondContact O-N 2.81Å; Y101-A225 HydrophobicContact CE2-CB 4.25Å; W223-A225 HydrophobicContact CE3-CB 4.48Å; W223-A225 HydrophobicContact CH2-CB 3.62Å; W223-A225 HydrophobicContact CZ2-CB 3.95Å; W223-A225 HydrophobicContact CZ3-CB 3.92Å
226	P	85.1	Confident	83	Confident	12 Å²	12	36.3 Å²	36.3	8%	0.078	19%	0.188	C	C	.	.			trans	-62.6	149.4	176.1	29.4	-37	0	0	0	111.1	Y95 P97 G98 E167 K228	Y95-P226 HydrophobicContact CE2-CG 4.25Å; P97-P226 CarbonylContact C-O 3.57Å; P97-P226 VanDerWaalsContact CA-O 3.28Å; P97-P226 WeakPolarHBondContact CA-O 3.29Å; P97-P226 WeakPolarHBondContact CB-O 3.44Å; G98-P226 PolarHBondContact N-O 3.41Å; E167-P226 WeakPolarHBondContact O-CB 3.46Å; E167-P226 WeakPolarHBondContact O-CG 3.35Å; P226-K228 PolarHBondContact O-N 3.26Å
227	L	78.2	Confident	83.5	Confident	146 Å²	146	36.3 Å²	36.3	76%	0.764	19%	0.188	S	C	*	.	S	Bend	trans	-73.7	-12.8	177.8	-71.5	167.7	0	0	0	113.6
228	K	70.2	Confident	83.9	Confident	147 Å²	147	35.7 Å²	35.7	64%	0.639	18%	0.183	S	C	*	.	S	Bend	trans	-138.8	142.6	-177.9	-63.8	-174.3	178.1	-175.9	0	109.4	P226 K230	P226-K228 PolarHBondContact O-N 3.26Å; K228-K230 VanDerWaalsContact C-N 3.25Å; K228-K230 PolarHBondContact O-N 3.14Å
229	D	68.3	Low	84.1	Confident	77 Å²	77	34.4 Å²	34.4	41%	0.412	18%	0.178	S	C	.	.			trans	-81.7	18.3	-171.9	62.3	-31.5	0	0	0	114.9	C231 G232 P262	D229-C231 PolarHBondContact O-N 2.92Å; D229-G232 PolarHBondContact O-N 3.33Å; D229-P262 HydrophobicContact CB-CB 3.93Å; D229-P262 HydrophobicContact CB-CG 3.77Å
230	K	68.4	Low	84.2	Confident	115 Å²	115	34.4 Å²	34.4	50%	0.5	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.6	-170.6	-79.5	-179.3	165.3	-163.8	0	115.4	E167 K228	E167-K230 HydrophobicContact CG-CD 4.33Å; E167-K230 WeakPolarHBondContact OE1-CD 3.33Å; E167-K230 WeakPolarHBondContact OE1-CE 3.23Å; E167-K230 IonicContact OE1-NZ 2.67Å; E167-K230 PolarHBondContact OE1-NZ 3.37Å; K228-K230 VanDerWaalsContact C-N 3.25Å; K228-K230 PolarHBondContact O-N 3.14Å
231	C	68	Low	84	Confident	20 Å²	20	34.5 Å²	34.5	14%	0.135	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.4	-178.3	-60.1	0	0	0	0	113.4	C163 E167 L168 D229	C163-C231 HydrophobicContact CB-CB 3.88Å; C163-C231 WeakPolarHBondContact CB-SG 3.28Å; C163-C231 WeakPolarHBondContact SG-CB 3.39Å; C163-C231 CovalentContact SG-SG 2.03Å; C163-C231 PolarHBondContact SG-SG 3.13Å; E167-C231 WeakPolarHBondContact CB-SG 3.31Å; E167-C231 PolarHBondContact O-SG 3.01Å; L168-C231 HydrophobicContact CD2-CB 4.12Å; D229-C231 PolarHBondContact O-N 2.92Å
232	G	76.3	Confident	83.5	Confident	29 Å²	29	34.6 Å²	34.6	30%	0.299	18%	0.179	S	C	.	.			trans	65.6	-135.1	-170.9	0	0	0	0	0	111.8	D229 P262	D229-G232 PolarHBondContact O-N 3.33Å; G232-P262 VanDerWaalsContact O-CD 3.32Å; G232-P262 WeakPolarHBondContact O-CD 3.46Å
233	C	82.3	Confident	82.7	Confident	34 Å²	34	39.5 Å²	39.5	23%	0.23	20%	0.202	C	C	.	.	S	Bend	trans	-76.6	145.1	178.9	-48.3	0	0	0	0	111.7	S124 T259 L260 C261	S124-C233 WeakPolarHBondContact CB-O 3.12Å; S124-C233 PolarHBondContact N-O 3.36Å; C233-T259 HydrophobicContact CB-CG2 4.32Å; C233-L260 CarbonylContact C-O 3.51Å; C233-L260 VanDerWaalsContact CA-O 3.26Å; C233-L260 WeakPolarHBondContact CA-O 3.31Å; C233-C261 HydrophobicContact CB-CB 4.04Å; C233-C261 WeakPolarHBondContact CB-SG 3.49Å; C233-C261 WeakPolarHBondContact SG-CB 3.42Å; C233-C261 CovalentContact SG-SG 2.04Å; C233-C261 PolarHBondContact SG-SG 3.25Å
234	I	87.8	Confident	81.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	157.1	175.2	62.9	164	0	0	0	110.5	Y95 I121 E122 L168 W223 I236 T259 L260	Y95-I234 HydrophobicContact CE1-CG1 4.42Å; I121-I234 HydrophobicContact CG2-CB 4.17Å; I121-I234 HydrophobicContact CG2-CD1 4Å; E122-I234 WeakPolarHBondContact O-CA 3.32Å; L168-I234 HydrophobicContact CD2-CG2 3.66Å; W223-I234 HydrophobicContact CH2-CD1 3.52Å; W223-I234 HydrophobicContact CZ2-CD1 3.25Å; W223-I234 HydrophobicContact CZ3-CD1 4.32Å; I234-I236 HydrophobicContact CD1-CD1 4.27Å; I234-I236 HydrophobicContact CD1-CG1 4.04Å; I234-T259 CarbonylContact O-C 3.52Å; I234-T259 VanDerWaalsContact O-CA 3.29Å; I234-T259 WeakPolarHBondContact O-CA 3.48Å; I234-L260 HydrophobicContact CG1-CB 4.09Å; I234-L260 PolarHBondContact N-O 2.9Å; I234-L260 PolarHBondContact O-N 3.4Å
235	N	88.3	Confident	79.4	Confident	29 Å²	29	42.9 Å²	42.9	16%	0.155	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.8	166.4	-64.5	-27.4	0	0	0	108.1	I121 E122 S124 T259	I121-N235 WeakPolarHBondContact CA-O 3.49Å; E122-N235 PolarHBondContact N-O 3.09Å; E122-N235 PolarHBondContact O-N 3.14Å; S124-N235 WeakPolarHBondContact CB-OD1 3.44Å; S124-N235 PolarHBondContact OG-ND2 3.36Å; S124-N235 PolarHBondContact OG-OD1 3.19Å; N235-T259 WeakPolarHBondContact OD1-CB 3.38Å; N235-T259 WeakPolarHBondContact OD1-CG2 3.44Å; N235-T259 PolarHBondContact OD1-OG1 3.22Å
236	I	91.1	Very high	77.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.5	165.3	-55.1	-176.8	0	0	0	106.6	L80 L82 V103 I119 W120 I121 W171 W223 I234 T257 K258 L260	L80-I236 HydrophobicContact CD1-CB 4.43Å; L80-I236 HydrophobicContact CD1-CG2 3.94Å; L80-I236 VanDerWaalsContact CD1-O 3.3Å; L80-I236 WeakPolarHBondContact CD1-O 3.44Å; L82-I236 HydrophobicContact CD2-CD1 4.03Å; V103-I236 HydrophobicContact CG1-CG2 4.29Å; V103-I236 HydrophobicContact CG2-CD1 4.33Å; I119-I236 HydrophobicContact CG2-CG2 3.64Å; W120-I236 WeakPolarHBondContact O-CA 3.17Å; I121-I236 HydrophobicContact CG1-CG1 4.4Å; W171-I236 HydrophobicContact CH2-CG2 4.03Å; W171-I236 HydrophobicContact CZ2-CG2 4.44Å; W223-I236 HydrophobicContact CD2-CD1 4.36Å; W223-I236 HydrophobicContact CE3-CD1 4.38Å; I234-I236 HydrophobicContact CD1-CD1 4.27Å; I234-I236 HydrophobicContact CD1-CG1 4.04Å; I236-T257 WeakPolarHBondContact O-CA 3.47Å; I236-K258 PolarHBondContact N-O 3.07Å; I236-K258 PolarHBondContact O-N 2.85Å; I236-L260 HydrophobicContact CD1-CD1 3.68Å; I236-L260 HydrophobicContact CG1-CD1 4.24Å
237	N	92.4	Very high	76.9	Confident	9 Å²	9	56.1 Å²	56.1	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	152.4	-178.8	-65.2	-41.9	0	0	0	109.8	I119 W120 E122 A252 L256 T257	I119-N237 CarbonylContact C-O 3.51Å; I119-N237 VanDerWaalsContact CA-O 3.28Å; I119-N237 WeakPolarHBondContact CA-O 3.19Å; I119-N237 WeakPolarHBondContact CG2-O 3.27Å; W120-N237 HydrophobicContact CD2-CB 3.74Å; W120-N237 VanDerWaalsContact CE2-CB 3.41Å; W120-N237 HydrophobicContact CE3-CB 4.09Å; W120-N237 HydrophobicContact CG-CB 4.36Å; W120-N237 HydrophobicContact CH2-CB 3.86Å; W120-N237 HydrophobicContact CZ2-CB 3.48Å; W120-N237 VanDerWaalsContact CZ2-CB 3.48Å; W120-N237 HydrophobicContact CZ3-CB 4.16Å; W120-N237 PolarHBondContact N-O 3.09Å; W120-N237 PolarHBondContact NE1-ND2 2.97Å; W120-N237 PolarHBondContact O-N 2.02Å; E122-N237 PolarHBondContact OE2-ND2 3.18Å; N237-A252 HydrophobicContact CB-CB 4.31Å; N237-L256 CarbonylContact C-O 3.54Å; N237-L256 WeakPolarHBondContact CA-O 3.39Å; N237-T257 VanDerWaalsContact OD1-CG2 3.29Å; N237-T257 WeakPolarHBondContact OD1-CG2 3.46Å; N237-T257 PolarHBondContact OD1-OG1 2.86Å
238	A	91.4	Very high	76.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.3	172.9	0	0	0	0	0	112.4	L80 L105 L118 I119 S251 A252 L256	L80-A238 HydrophobicContact CD1-CB 3.95Å; L80-A238 HydrophobicContact CD2-CB 3.95Å; L80-A238 HydrophobicContact CG-CB 3.95Å; L105-A238 HydrophobicContact CD1-CB 3.85Å; L105-A238 HydrophobicContact CD2-CB 4.13Å; L118-A238 CarbonylContact O-C 3.57Å; L118-A238 WeakPolarHBondContact O-CA 3.27Å; I119-A238 HydrophobicContact CG1-CB 4.3Å; A238-S251 WeakPolarHBondContact O-CA 3.37Å; A238-A252 PolarHBondContact O-N 3.27Å; A238-L256 HydrophobicContact CB-CB 4.42Å; A238-L256 HydrophobicContact CB-CD2 3.85Å; A238-L256 PolarHBondContact N-O 2.94Å
239	A	89.7	Confident	77.1	Confident	2 Å²	2	46.2 Å²	46.2	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.3	169.9	0	0	0	0	0	109.5	L34 G117 L118 W120 F250	L34-A239 HydrophobicContact CD1-CB 4.08Å; L34-A239 HydrophobicContact CD2-CB 4.27Å; L34-A239 HydrophobicContact CG-CB 4.01Å; G117-A239 WeakPolarHBondContact CA-O 3.37Å; L118-A239 PolarHBondContact N-O 2.8Å; L118-A239 PolarHBondContact O-N 2.81Å; W120-A239 HydrophobicContact CH2-CB 4.28Å; W120-A239 HydrophobicContact CZ3-CB 3.85Å; A239-F250 CarbonylContact C-O 3.48Å; A239-F250 VanDerWaalsContact CA-O 3.24Å; A239-F250 WeakPolarHBondContact CA-O 3.5Å
240	V	88.9	Confident	77.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.4	177.9	-70.6	0	0	0	0	110.5	F78 L105 F114 D116 I249 F250 L256	F78-V240 HydrophobicContact CB-CG2 4.2Å; F78-V240 HydrophobicContact CD1-CG1 4.29Å; F78-V240 HydrophobicContact CD1-CG2 4.08Å; F78-V240 HydrophobicContact CD2-CG2 3.65Å; F78-V240 HydrophobicContact CE1-CG2 4.37Å; F78-V240 HydrophobicContact CE2-CG2 3.96Å; F78-V240 HydrophobicContact CG-CG2 3.71Å; F78-V240 HydrophobicContact CZ-CG2 4.31Å; L105-V240 HydrophobicContact CD1-CG1 3.99Å; L105-V240 HydrophobicContact CD2-CG1 3.71Å; L105-V240 HydrophobicContact CG-CG1 4.06Å; F114-V240 HydrophobicContact CB-CB 4.12Å; F114-V240 HydrophobicContact CB-CG1 4.31Å; F114-V240 HydrophobicContact CD1-CG1 4.37Å; F114-V240 HydrophobicContact CD2-CG1 4.15Å; F114-V240 HydrophobicContact CG-CB 4.39Å; F114-V240 HydrophobicContact CG-CG1 4.04Å; D116-V240 WeakPolarHBondContact O-CA 3.25Å; V240-I249 WeakPolarHBondContact O-CA 3.46Å; V240-F250 HydrophobicContact CG2-CB 3.98Å; V240-F250 HydrophobicContact CG2-CD2 4.47Å; V240-F250 PolarHBondContact N-O 2.6Å; V240-F250 PolarHBondContact O-N 3.34Å; V240-F250 VanDerWaalsContact O-N 3.1Å; V240-L256 HydrophobicContact CG2-CD1 4.38Å; V240-L256 HydrophobicContact CG2-CD2 4.44Å
241	Q	84.8	Confident	78.4	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.4	166.4	-179.4	168.6	64	0	0	109.6	L34 F114 L115 D116 R247 I249	L34-Q241 HydrophobicContact CD1-CB 4.08Å; F114-Q241 CarbonylContact C-O 3.43Å; F114-Q241 WeakPolarHBondContact CA-O 3.16Å; F114-Q241 WeakPolarHBondContact CB-O 3.47Å; L115-Q241 HydrophobicContact CB-CG 4.5Å; L115-Q241 PolarHBondContact N-O 3.37Å; D116-Q241 HydrophobicContact CB-CB 4.19Å; D116-Q241 PolarHBondContact O-N 2.91Å; Q241-R247 HydrophobicContact CG-CB 4.34Å; Q241-I249 HydrophobicContact CB-CG1 4.38Å; Q241-I249 HydrophobicContact CG-CG1 4.43Å
242	T	81	Confident	78.6	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	160.3	176.1	58.6	0	0	0	0	112.5	F78 N244 E248 F250	F78-T242 HydrophobicContact CE2-CG2 3.73Å; F78-T242 HydrophobicContact CZ-CG2 4Å; T242-N244 VanDerWaalsContact C-N 3.27Å; T242-E248 PolarHBondContact N-O 3.43Å; T242-E248 PolarHBondContact OG1-N 3.24Å; T242-E248 PolarHBondContact OG1-O 2.03Å; T242-E248 VanDerWaalsContact OG1-O 3.07Å; T242-F250 HydrophobicContact CG2-CD2 3.86Å; T242-F250 HydrophobicContact CG2-CE2 3.58Å
243	H	72.5	Confident	78.5	Confident	115 Å²	115	39.6 Å²	39.6	53%	0.532	20%	0.199	S	C	.	.			trans	-80.3	-6.6	172.1	-176.3	-89.4	0	0	0	113.2	L115 L215	L115-H243 HydrophobicContact CD1-CB 4.36Å; L115-H243 HydrophobicContact CG-CB 4.2Å; L215-H243 HydrophobicContact CD1-CB 3.9Å; L215-H243 HydrophobicContact CD2-CB 3.96Å; L215-H243 HydrophobicContact CG-CB 4.12Å
244	N	64	Low	78.3	Confident	67 Å²	67	40.9 Å²	40.9	36%	0.358	22%	0.217	S	C	.	.	S	Bend	trans	-54	154.2	179.7	-63.9	-4.4	0	0	0	110.9	T242 Q246 R247 E248	T242-N244 VanDerWaalsContact C-N 3.27Å; N244-Q246 PolarHBondContact O-N 3.24Å; N244-R247 WeakPolarHBondContact O-CA 3.1Å; N244-R247 PolarHBondContact O-N 3.31Å; N244-E248 PolarHBondContact ND2-OE2 3.49Å
245	E	51.8	Low	78	Confident	85 Å²	85	41.4 Å²	41.4	40%	0.397	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.3	-171.7	-54.8	-179.5	161.1	0	0	113.6	T1033 S1034	E245-T1033 VanDerWaalsContact OE2-CA 3.25Å; E245-T1033 WeakPolarHBondContact OE2-CA 3.4Å; E245-T1033 WeakPolarHBondContact OE2-CB 3.32Å; E245-T1033 PolarHBondContact OE2-OG1 3.47Å; E245-S1034 VanDerWaalsContact CD-CB 3.45Å; E245-S1034 WeakPolarHBondContact CG-OG 3.46Å; E245-S1034 WeakPolarHBondContact OE1-CB 3.08Å; E245-S1034 PolarHBondContact OE1-N 2.99Å; E245-S1034 VanDerWaalsContact OE1-N 3.1Å; E245-S1034 PolarHBondContact OE1-OG 3.46Å; E245-S1034 PolarHBondContact OE2-N 3.11Å; E245-S1034 VanDerWaalsContact OE2-N 3.1Å
246	Q	54.4	Low	78	Confident	151 Å²	151	40 Å²	40	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	0.2	176.1	-59.9	-170.9	5.4	0	0	114.2	N244 E248	N244-Q246 PolarHBondContact O-N 3.24Å; Q246-E248 HydrophobicContact CB-CG 3.98Å; Q246-E248 PolarHBondContact O-N 2.88Å
247	R	65.7	Low	77.8	Confident	141 Å²	141	42 Å²	42	53%	0.532	23%	0.227	S	C	.	.			trans	44.8	46.4	-176.3	-66.4	-171.6	178.5	179.7	1.3	113.7	Q241 N244	Q241-R247 HydrophobicContact CG-CB 4.34Å; N244-R247 WeakPolarHBondContact O-CA 3.1Å; N244-R247 PolarHBondContact O-N 3.31Å
248	E	73.8	Confident	77.5	Confident	47 Å²	47	43.7 Å²	43.7	22%	0.22	24%	0.235	C	C	.	.			trans	-58.4	138	-173.4	-58.6	176.1	124.4	0	0	111.4	T242 N244 Q246 F250	T242-E248 PolarHBondContact N-O 3.43Å; T242-E248 PolarHBondContact OG1-N 3.24Å; T242-E248 PolarHBondContact OG1-O 2.03Å; T242-E248 VanDerWaalsContact OG1-O 3.07Å; N244-E248 PolarHBondContact ND2-OE2 3.49Å; Q246-E248 HydrophobicContact CB-CG 3.98Å; Q246-E248 PolarHBondContact O-N 2.88Å; E248-F250 HydrophobicContact CB-CE2 3.73Å; E248-F250 HydrophobicContact CB-CZ 3.95Å
249	I	77.8	Confident	77.3	Confident	39 Å²	39	46.7 Å²	46.7	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.8	-180	-65.1	171.8	0	0	0	108.7	L34 N37 V240 Q241	L34-I249 HydrophobicContact CD1-CB 4.46Å; L34-I249 HydrophobicContact CD1-CD1 4.25Å; L34-I249 HydrophobicContact CD1-CG1 4.06Å; L34-I249 HydrophobicContact CD1-CG2 3.68Å; N37-I249 WeakPolarHBondContact ND2-CD1 3.35Å; V240-I249 WeakPolarHBondContact O-CA 3.46Å; Q241-I249 HydrophobicContact CB-CG1 4.38Å; Q241-I249 HydrophobicContact CG-CG1 4.43Å
250	F	82.1	Confident	77.1	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.4	171.9	-56.5	-85.3	0	0	0	107.6	M72 D74 N76 F78 A239 V240 T242 E248 L256	M72-F250 HydrophobicContact CB-CD1 4.26Å; M72-F250 HydrophobicContact CB-CE1 4.01Å; M72-F250 HydrophobicContact CG-CE1 4.45Å; D74-F250 HydrophobicContact CB-CD1 4.42Å; D74-F250 HydrophobicContact CB-CE1 4.34Å; N76-F250 HydrophobicContact CB-CD1 3.93Å; N76-F250 HydrophobicContact CB-CD2 4.26Å; N76-F250 HydrophobicContact CB-CE1 3.66Å; N76-F250 HydrophobicContact CB-CE2 4.03Å; N76-F250 HydrophobicContact CB-CG 4.23Å; N76-F250 HydrophobicContact CB-CZ 3.72Å; N76-F250 WeakPolarHBondContact ND2-CE2 3.28Å; N76-F250 VanDerWaalsContact ND2-CZ 3.35Å; N76-F250 WeakPolarHBondContact ND2-CZ 3.39Å; F78-F250 HydrophobicContact CD2-CD2 4.45Å; F78-F250 HydrophobicContact CE2-CD2 4.36Å; A239-F250 CarbonylContact C-O 3.48Å; A239-F250 VanDerWaalsContact CA-O 3.24Å; A239-F250 WeakPolarHBondContact CA-O 3.5Å; V240-F250 HydrophobicContact CG2-CB 3.98Å; V240-F250 HydrophobicContact CG2-CD2 4.47Å; V240-F250 PolarHBondContact N-O 2.6Å; V240-F250 PolarHBondContact O-N 3.34Å; V240-F250 VanDerWaalsContact O-N 3.1Å; T242-F250 HydrophobicContact CG2-CD2 3.86Å; T242-F250 HydrophobicContact CG2-CE2 3.58Å; E248-F250 HydrophobicContact CB-CE2 3.73Å; E248-F250 HydrophobicContact CB-CZ 3.95Å; F250-L256 HydrophobicContact CB-CD1 3.66Å
251	S	81.8	Confident	76.8	Confident	24 Å²	24	48.7 Å²	48.7	17%	0.168	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	126.1	-167.3	-174.6	0	0	0	0	112.6	A238 T253	A238-S251 WeakPolarHBondContact O-CA 3.37Å; S251-T253 VanDerWaalsContact C-N 3.27Å; S251-T253 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact O-OG1 3.28Å
252	A	73.5	Confident	76.6	Confident	43 Å²	43	49.7 Å²	49.7	36%	0.355	27%	0.274	S	S	.	.	S	Bend	trans	51.2	39.4	172.3	0	0	0	0	0	115	W120 N237 A238 T257	W120-A252 HydrophobicContact CH2-CB 4.17Å; W120-A252 HydrophobicContact CZ2-CB 4.14Å; N237-A252 HydrophobicContact CB-CB 4.31Å; A238-A252 PolarHBondContact O-N 3.27Å; A252-T257 VanDerWaalsContact C-OG1 3.3Å; A252-T257 VanDerWaalsContact CA-OG1 3.32Å; A252-T257 WeakPolarHBondContact CA-OG1 3.21Å; A252-T257 PolarHBondContact O-OG1 3.13Å
253	T	73.9	Confident	76	Confident	28 Å²	28	50.6 Å²	50.6	17%	0.172	28%	0.28	C	S	.	.	S	Bend	trans	-135.4	141.5	-175.1	41.2	0	0	0	0	111	D74 D75 S251 G255 L256	D74-T253 PolarHBondContact O-OG1 2.96Å; D75-T253 WeakPolarHBondContact CB-O 3.32Å; S251-T253 VanDerWaalsContact C-N 3.27Å; S251-T253 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact O-OG1 3.28Å; T253-G255 PolarHBondContact O-N 3.32Å; T253-L256 VanDerWaalsContact O-CB 3.29Å; T253-L256 WeakPolarHBondContact O-CB 3.5Å; T253-L256 PolarHBondContact O-N 2.82Å
254	G	78.5	Confident	75.5	Confident	60 Å²	60	52.6 Å²	52.6	62%	0.619	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	52.1	-125.5	175.8	0	0	0	0	0	113	L256 T257	G254-L256 PolarHBondContact O-N 2.89Å; G254-T257 PolarHBondContact O-N 3.37Å
255	G	81.3	Confident	74.7	Confident	11 Å²	11	51.9 Å²	51.9	11%	0.113	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.6	-20.3	176.7	0	0	0	0	0	115.5	D75 F78 E79 L80 T253 T257	D75-G255 PolarHBondContact OD2-N 2.98Å; F78-G255 CarbonylContact O-C 3.56Å; E79-G255 CarbonylContact C-O 3.59Å; E79-G255 VanDerWaalsContact CA-O 3.32Å; E79-G255 WeakPolarHBondContact CA-O 3.48Å; L80-G255 PolarHBondContact N-O 2.9Å; T253-G255 PolarHBondContact O-N 3.32Å; G255-T257 PolarHBondContact O-N 3.48Å
256	L	87	Confident	74.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-77.5	-0.4	179.1	-66	168.9	0	0	0	114	F78 L80 L105 N237 A238 V240 F250 T253 G254	F78-L256 HydrophobicContact CB-CD1 4.42Å; F78-L256 HydrophobicContact CB-CD2 3.69Å; F78-L256 HydrophobicContact CB-CG 4.1Å; L80-L256 WeakPolarHBondContact CD1-O 3.39Å; L105-L256 HydrophobicContact CD1-CD2 3.62Å; N237-L256 CarbonylContact C-O 3.54Å; N237-L256 WeakPolarHBondContact CA-O 3.39Å; A238-L256 HydrophobicContact CB-CB 4.42Å; A238-L256 HydrophobicContact CB-CD2 3.85Å; A238-L256 PolarHBondContact N-O 2.94Å; V240-L256 HydrophobicContact CG2-CD1 4.38Å; V240-L256 HydrophobicContact CG2-CD2 4.44Å; F250-L256 HydrophobicContact CB-CD1 3.66Å; T253-L256 VanDerWaalsContact O-CB 3.29Å; T253-L256 WeakPolarHBondContact O-CB 3.5Å; T253-L256 PolarHBondContact O-N 2.82Å; G254-L256 PolarHBondContact O-N 2.89Å
257	T	87.9	Confident	73.4	Confident	41 Å²	41	46.4 Å²	46.4	25%	0.252	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.9	172.5	-70.6	0	0	0	0	110.9	I236 N237 A252 G254 G255	I236-T257 WeakPolarHBondContact O-CA 3.47Å; N237-T257 VanDerWaalsContact OD1-CG2 3.29Å; N237-T257 WeakPolarHBondContact OD1-CG2 3.46Å; N237-T257 PolarHBondContact OD1-OG1 2.86Å; A252-T257 VanDerWaalsContact C-OG1 3.3Å; A252-T257 VanDerWaalsContact CA-OG1 3.32Å; A252-T257 WeakPolarHBondContact CA-OG1 3.21Å; A252-T257 PolarHBondContact O-OG1 3.13Å; G254-T257 PolarHBondContact O-N 3.37Å; G255-T257 PolarHBondContact O-N 3.48Å
258	K	86.8	Confident	72	Confident	46 Å²	46	41.3 Å²	41.3	20%	0.2	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.3	172.9	-75.8	-66.1	-167.8	-180	0	110.3	L80 L82 D92 I236	L80-K258 HydrophobicContact CB-CG 3.84Å; L80-K258 VanDerWaalsContact O-CE 3.28Å; L80-K258 WeakPolarHBondContact O-CE 3.44Å; L82-K258 HydrophobicContact CD1-CB 3.97Å; L82-K258 HydrophobicContact CD1-CG 3.89Å; D92-K258 WeakPolarHBondContact OD1-CD 3.25Å; D92-K258 IonicContact OD1-NZ 2.76Å; D92-K258 PolarHBondContact OD1-NZ 3.38Å; D92-K258 IonicContact OD2-NZ 3.88Å; D92-K258 PolarHBondContact OD2-NZ 2.97Å; I236-K258 PolarHBondContact N-O 3.07Å; I236-K258 PolarHBondContact O-N 2.85Å
259	T	86	Confident	70.1	Confident	62 Å²	62	41.6 Å²	41.6	38%	0.38	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.5	168.1	-57.1	0	0	0	0	109.3	Q93 C233 I234 N235	Q93-T259 WeakPolarHBondContact CA-O 3.34Å; C233-T259 HydrophobicContact CB-CG2 4.32Å; I234-T259 CarbonylContact O-C 3.52Å; I234-T259 VanDerWaalsContact O-CA 3.29Å; I234-T259 WeakPolarHBondContact O-CA 3.48Å; N235-T259 WeakPolarHBondContact OD1-CB 3.38Å; N235-T259 WeakPolarHBondContact OD1-CG2 3.44Å; N235-T259 PolarHBondContact OD1-OG1 3.22Å
260	L	85.9	Confident	67.9	Low	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.1	-179	-55	168.2	0	0	0	110	L82 I91 Q93 Y95 W223 C233 I234 I236	L82-L260 HydrophobicContact CD1-CD1 4.43Å; L82-L260 HydrophobicContact CD2-CD1 3.5Å; L82-L260 VanDerWaalsContact CD2-CD1 3.5Å; I91-L260 HydrophobicContact CD1-CD2 4.41Å; Q93-L260 WeakPolarHBondContact O-CA 3.45Å; Y95-L260 HydrophobicContact CD1-CB 3.83Å; W223-L260 HydrophobicContact CZ3-CD1 4.2Å; C233-L260 CarbonylContact C-O 3.51Å; C233-L260 VanDerWaalsContact CA-O 3.26Å; C233-L260 WeakPolarHBondContact CA-O 3.31Å; I234-L260 HydrophobicContact CG1-CB 4.09Å; I234-L260 PolarHBondContact N-O 2.9Å; I234-L260 PolarHBondContact O-N 3.4Å; I236-L260 HydrophobicContact CD1-CD1 3.68Å; I236-L260 HydrophobicContact CG1-CD1 4.24Å
261	C	82.1	Confident	65.5	Low	45 Å²	45	44.8 Å²	44.8	30%	0.304	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.2	177.1	-62.2	0	0	0	0	111.6	Q93 W94 Y95 C233 S263	Q93-C261 PolarHBondContact O-N 3.35Å; W94-C261 CarbonylContact C-O 3.56Å; W94-C261 WeakPolarHBondContact CA-O 3.28Å; Y95-C261 VanDerWaalsContact CD1-C 3.49Å; Y95-C261 WeakPolarHBondContact CD1-O 3.04Å; Y95-C261 PolarHBondContact N-O 3.48Å; C233-C261 HydrophobicContact CB-CB 4.04Å; C233-C261 WeakPolarHBondContact CB-SG 3.49Å; C233-C261 WeakPolarHBondContact SG-CB 3.42Å; C233-C261 CovalentContact SG-SG 2.04Å; C233-C261 PolarHBondContact SG-SG 3.25Å; C261-S263 PolarHBondContact O-N 3.29Å
262	P	81	Confident	63	Low	29 Å²	29	50 Å²	50	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.9	175.8	25.2	-30.9	0	0	0	109.8	Y95 P97 D229 G232	Y95-P262 HydrophobicContact CE1-CB 4.11Å; Y95-P262 HydrophobicContact CE1-CG 4.45Å; Y95-P262 VanDerWaalsContact CE1-N 3.33Å; Y95-P262 HydrophobicContact CE2-CB 4.11Å; Y95-P262 WeakPolarHBondContact O-CA 3.45Å; P97-P262 HydrophobicContact CG-CB 4.24Å; D229-P262 HydrophobicContact CB-CB 3.93Å; D229-P262 HydrophobicContact CB-CG 3.77Å; G232-P262 VanDerWaalsContact O-CD 3.32Å; G232-P262 WeakPolarHBondContact O-CD 3.46Å
263	S	67.2	Low	60.7	Low	22 Å²	22	49.4 Å²	49.4	15%	0.154	29%	0.289	C	S	.	.			trans	-126	129.4	174.8	-162.5	0	0	0	0	110.9	Y95 C261 T265	Y95-S263 PolarHBondContact O-N 3.12Å; C261-S263 PolarHBondContact O-N 3.29Å; S263-T265 PolarHBondContact OG-O 3.49Å
264	Y	63.2	Low	58.4	Low	157 Å²	157	49.7 Å²	49.7	62%	0.616	29%	0.294	S	S	*	.	S	Bend	trans	-96.6	-18.8	174.8	-62.1	-81.4	0	0	0	112.2	P97	P97-Y264 HydrophobicContact CG-CE1 3.82Å
265	T	46.8	Very low	56.1	Low	52 Å²	52	53.4 Å²	53.4	32%	0.319	29%	0.291	S	S	.	.	S	Bend	trans	-101.1	154.4	169.1	52.4	0	0	0	0	109.8	S263 P267 D481	S263-T265 PolarHBondContact OG-O 3.49Å; T265-P267 VanDerWaalsContact O-CD 3.29Å; T265-P267 WeakPolarHBondContact O-CD 3.14Å; T265-D481 PolarHBondContact OG1-OD2 3.46Å
266	R	42.8	Very low	53.6	Low	87 Å²	87	61.8 Å²	61.8	33%	0.328	33%	0.329	S	S	.	.			trans	-82.3	115.6	178	178.7	-175.9	-72.3	-174.1	-4.4	108.9
267	P	37.3	Very low	51	Low	34 Å²	34	66.9 Å²	66.9	22%	0.221	36%	0.356	C	S	.	.			trans	-65.4	153.3	173.9	-21.4	37.3	0	0	0	110.5	W94 T265 S269	W94-P267 HydrophobicContact CB-CG 4.21Å; W94-P267 HydrophobicContact CD2-CG 4.03Å; W94-P267 HydrophobicContact CG-CG 3.7Å; T265-P267 VanDerWaalsContact O-CD 3.29Å; T265-P267 WeakPolarHBondContact O-CD 3.14Å; P267-S269 PolarHBondContact O-N 3.26Å
268	P	35.6	Very low	48.2	Very low	34 Å²	34	70.9 Å²	70.9	22%	0.221	38%	0.383	C	S	.	.			trans	-60.3	101.8	174.9	22.8	-31.4	0	0	0	110	P270 I480 D481	P268-P270 WeakPolarHBondContact O-CD 3.04Å; P268-I480 HydrophobicContact CB-CG2 3.59Å; P268-I480 HydrophobicContact CG-CG2 4.11Å; P268-D481 WeakPolarHBondContact CD-O 3.27Å
269	S	33.7	Very low	45.6	Very low	53 Å²	53	73 Å²	73	37%	0.371	41%	0.408	S	S	.	.			trans	-81.4	110.9	172.8	38.1	0	0	0	0	109.3	P267 V271	P267-S269 PolarHBondContact O-N 3.26Å; S269-V271 PolarHBondContact O-N 3.16Å; S269-V271 VanDerWaalsContact O-N 3.09Å
270	P	31.3	Very low	43.3	Very low	75 Å²	75	76.6 Å²	76.6	49%	0.487	43%	0.425	S	S	.	.			trans	-66.5	114.1	171.6	28.3	-32.7	0	0	0	108.1	P268 L272	P268-P270 WeakPolarHBondContact O-CD 3.04Å; P270-L272 PolarHBondContact O-N 2.94Å
271	V	32	Very low	40.8	Very low	37 Å²	37	81.2 Å²	81.2	22%	0.224	45%	0.45	C	S	.	.			trans	-58.9	125.3	166.8	177.1	0	0	0	0	107.1	S269 P273 S464	S269-V271 PolarHBondContact O-N 3.16Å; S269-V271 VanDerWaalsContact O-N 3.09Å; V271-P273 WeakPolarHBondContact O-CD 3.49Å; V271-S464 WeakPolarHBondContact CG2-O 3.25Å
272	L	28.5	Very low	38.7	Very low	133 Å²	133	89.8 Å²	89.8	70%	0.696	48%	0.476	S	S	*	.			trans	-95.2	101	176.3	-76	167.2	0	0	0	109.5	P270 A274	P270-L272 PolarHBondContact O-N 2.94Å; L272-A274 PolarHBondContact O-N 3.05Å
273	P	26.3	Very low	36.4	Very low	31 Å²	31	95.7 Å²	95.7	20%	0.201	51%	0.506	C	S	.	.			trans	-48.7	131.9	168.8	-31.9	28.2	0	0	0	114.6	V271 Y275 R362	V271-P273 WeakPolarHBondContact O-CD 3.49Å; P273-Y275 HydrophobicContact CB-CD1 4.02Å; P273-Y275 HydrophobicContact CB-CE1 4.01Å; P273-Y275 PolarHBondContact O-N 3.31Å; P273-R362 PolarHBondContact O-NH2 2.84Å
274	A	26.4	Very low	34.9	Very low	35 Å²	35	100.4 Å²	100.4	29%	0.289	53%	0.533	S	S	.	.	S	Bend	trans	-77.7	66.8	-174.5	0	0	0	0	0	114.4	L272 H302 Q307	L272-A274 PolarHBondContact O-N 3.05Å; A274-H302 VanDerWaalsContact CB-CE1 3.43Å; A274-H302 WeakPolarHBondContact CB-CE1 3.25Å; A274-H302 VanDerWaalsContact CB-NE2 3.33Å; A274-H302 WeakPolarHBondContact CB-NE2 3.36Å; A274-Q307 VanDerWaalsContact CB-OE1 3.27Å
275	Y	28.4	Very low	33.2	Very low	138 Å²	138	100.4 Å²	100.4	54%	0.541	54%	0.539	S	S	.	.			trans	-131.9	57.8	170.4	71.1	-87.4	0	0	0	113.9	P273 R362 E365	P273-Y275 HydrophobicContact CB-CD1 4.02Å; P273-Y275 HydrophobicContact CB-CE1 4.01Å; P273-Y275 PolarHBondContact O-N 3.31Å; Y275-R362 VanDerWaalsContact CZ-NH1 3.31Å; Y275-R362 PolarHBondContact OH-NH1 3.14Å; Y275-E365 PolarHBondContact OH-OE1 2.67Å
276	M	30.1	Very low	32.4	Very low	187 Å²	187	104.4 Å²	104.4	92%	0.921	56%	0.559	S	S	*	*	S	Bend	trans	-117.7	10.6	159.5	-77.3	-149.7	75.2	0	0	113.8
277	L	31.9	Very low	31.9	Very low	106 Å²	106	105.7 Å²	105.7	56%	0.555	58%	0.581	S	S	*	*	S	Bend	trans	-127.5	123.5	176.6	-77.1	159.2	0	0	0	109.6	M301	L277-M301 HydrophobicContact CB-CE 3.61Å; L277-M301 HydrophobicContact CB-SD 3.42Å; L277-M301 WeakPolarHBondContact CB-SD 3.11Å; L277-M301 HydrophobicContact CD1-CE 4.14Å; L277-M301 HydrophobicContact CD1-CG 3.46Å; L277-M301 VanDerWaalsContact CD1-CG 3.46Å; L277-M301 HydrophobicContact CD1-SD 3.36Å; L277-M301 WeakPolarHBondContact CD1-SD 3.42Å; L277-M301 HydrophobicContact CG-CE 4.49Å; L277-M301 HydrophobicContact CG-SD 3.93Å
278	P	30.1	Very low	31.4	Very low	126 Å²	126	110.2 Å²	110.2	82%	0.818	61%	0.608	S	S	*	*			trans	-79.2	129.1	-177	30.8	-32.8	0	0	0	111
279	A	32.2	Very low	31.1	Very low	89 Å²	89	116.9 Å²	116.9	74%	0.736	63%	0.633	S	S	*	*			trans	-88.3	134.9	157.2	0	0	0	0	0	109.3
280	N	36.9	Very low	31.4	Very low	138 Å²	138	123.6 Å²	123.6	74%	0.738	66%	0.659	S	S	*	*			trans	144.9	146.5	159.5	-82.3	24.4	0	0	0	109.2
281	D	33.3	Very low	31.2	Very low	98 Å²	98	130.2 Å²	130.2	52%	0.524	67%	0.674	S	S	.	*			cis	-155.6	132.8	-6.6	-111	-33	0	0	0	108.1
282	R	38.5	Very low	31	Very low	225 Å²	225	135.3 Å²	135.3	85%	0.849	71%	0.706	S	S	*	*				49.3	94	102.9	-62.6	-173.4	176.3	177.6	-2.1	116.1
283	N	32.5	Very low	30.8	Very low	153 Å²	153	136 Å²	136	82%	0.818	71%	0.708	S	S	*	*			trans	-162.4	153.2	159	-80	-71	0	0	0	107.7
284	V	34.8	Very low	31.2	Very low	120 Å²	120	144.1 Å²	144.1	73%	0.727	74%	0.74	S	S	*	*			cis	-147.5	132.3	-14.1	113.2	0	0	0	0	111
285	E	27.5	Very low	31.1	Very low	157 Å²	157	149.9 Å²	149.9	73%	0.734	77%	0.766	S	S	*	*			trans	17.9	142.9	142.3	-76.1	-171.5	-174.7	0	0	126.2
286	N	29.7	Very low	31.1	Very low	137 Å²	137	148.9 Å²	148.9	73%	0.733	78%	0.776	S	S	*	*			trans	79	98.4	143.4	-60	-28.1	0	0	0	122.9
287	S	32.3	Very low	31	Very low	113 Å²	113	149 Å²	149	79%	0.79	77%	0.774	S	S	*	*				166.1	115.2	112.5	52.3	0	0	0	0	116.8
288	T	28.4	Very low	30.8	Very low	129 Å²	129	151.5 Å²	151.5	79%	0.791	79%	0.788	S	S	*	*			trans	34.2	127.4	152.8	54	0	0	0	0	124.3
289	K	28.3	Very low	30.9	Very low	174 Å²	174	155 Å²	155	76%	0.757	79%	0.794	S	S	*	*	S	Bend	trans	76.2	93.6	150.3	-70.8	-171.3	178.7	-176.6	0	120.4
290	E	40.2	Very low	30.7	Very low	194 Å²	194	156.4 Å²	156.4	91%	0.907	78%	0.783	S	S	*	*				-114.6	53.8	-50.5	-66.4	-170.1	153.6	0	0	104.6	T292	E290-T292 PolarHBondContact O-N 3.13Å
291	R	27.2	Very low	30.2	Very low	215 Å²	215	154.9 Å²	154.9	81%	0.811	77%	0.773	S	S	*	*			trans	-69.9	119.9	-149.4	-81.4	167.3	175	-172.2	-4.4	111.6	I293	R291-I293 WeakPolarHBondContact O-CG1 2.95Å; R291-I293 PolarHBondContact O-N 2.62Å
292	T	28.5	Very low	30	Very low	144 Å²	144	154.5 Å²	154.5	88%	0.883	77%	0.768	S	S	*	*			trans	-36.3	95	168.6	32	0	0	0	0	112.5	E290 K294	E290-T292 PolarHBondContact O-N 3.13Å; T292-K294 PolarHBondContact O-N 3.41Å
293	I	24.1	Very low	29.5	Very low	147 Å²	147	150.1 Å²	150.1	75%	0.754	76%	0.761	S	S	*	*			trans	-77.4	115.2	-177.6	-56.6	-172.6	0	0	0	108.9	R291 L295	R291-I293 WeakPolarHBondContact O-CG1 2.95Å; R291-I293 PolarHBondContact O-N 2.62Å; I293-L295 HydrophobicContact CG2-CD1 4.43Å; I293-L295 HydrophobicContact CG2-CG 4.07Å
294	K	33.1	Very low	29.2	Very low	201 Å²	201	145 Å²	145	87%	0.874	73%	0.733	S	S	*	*			trans	-74.7	131	159.3	-66	179.6	175.7	-177.1	0	108.6	T292	T292-K294 PolarHBondContact O-N 3.41Å
295	L	25.5	Very low	29	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	71%	0.712	S	S	*	*			trans	-123.3	150.8	159.4	-78.8	166.3	0	0	0	109	I293	I293-L295 HydrophobicContact CG2-CD1 4.43Å; I293-L295 HydrophobicContact CG2-CG 4.07Å
296	P	27.5	Very low	29.1	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	69%	0.689	S	S	*	*			trans	-112.8	176.1	-149.6	12.7	11.5	0	0	0	114.3	D298	P296-D298 PolarHBondContact O-N 2.95Å
297	H	28.2	Very low	29.6	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.875	66%	0.663	S	S	*	*	S	Bend	trans	-12.2	110.6	169.5	-75.1	-6	0	0	0	117
298	D	28.5	Very low	30.2	Very low	159 Å²	159	127.1 Å²	127.1	85%	0.85	63%	0.631	S	S	*	*			trans	-170.5	15.9	145.8	-105.9	-17.2	0	0	0	115.8	P296 F300	P296-D298 PolarHBondContact O-N 2.95Å; D298-F300 PolarHBondContact O-N 3.23Å
299	E	30.8	Very low	31	Very low	201 Å²	201	128.5 Å²	128.5	94%	0.939	63%	0.629	S	S	*	*			trans	-82	78	-176.3	-68.7	-174.9	154.9	0	0	113.9
300	F	28.3	Very low	32.1	Very low	117 Å²	117	124.5 Å²	124.5	51%	0.513	62%	0.616	S	S	.	*			trans	-118.2	87.2	164.7	-85.8	-65	0	0	0	111.5	T189 D298	T189-F300 HydrophobicContact CG2-CZ 4.16Å; D298-F300 PolarHBondContact O-N 3.23Å
301	M	27.3	Very low	33.2	Very low	107 Å²	107	115.3 Å²	115.3	53%	0.527	57%	0.573	S	S	.	*			trans	-162.2	132.6	168.9	-109.7	162.9	92.3	0	0	114.2	L277	L277-M301 HydrophobicContact CB-CE 3.61Å; L277-M301 HydrophobicContact CB-SD 3.42Å; L277-M301 WeakPolarHBondContact CB-SD 3.11Å; L277-M301 HydrophobicContact CD1-CE 4.14Å; L277-M301 HydrophobicContact CD1-CG 3.46Å; L277-M301 VanDerWaalsContact CD1-CG 3.46Å; L277-M301 HydrophobicContact CD1-SD 3.36Å; L277-M301 WeakPolarHBondContact CD1-SD 3.42Å; L277-M301 HydrophobicContact CG-CE 4.49Å; L277-M301 HydrophobicContact CG-SD 3.93Å
302	H	27.9	Very low	35.1	Very low	89 Å²	89	106.5 Å²	106.5	41%	0.412	54%	0.544	S	S	.	.			trans	62.6	95.4	163.2	-53.8	-58.2	0	0	0	120	A274	A274-H302 VanDerWaalsContact CB-CE1 3.43Å; A274-H302 WeakPolarHBondContact CB-CE1 3.25Å; A274-H302 VanDerWaalsContact CB-NE2 3.33Å; A274-H302 WeakPolarHBondContact CB-NE2 3.36Å
303	L	29.1	Very low	36.8	Very low	134 Å²	134	99.6 Å²	99.6	70%	0.702	50%	0.502	S	S	*	.			trans	-141.1	92.4	148.2	-146.3	74.4	0	0	0	107.4
304	D	25.5	Very low	38.9	Very low	46 Å²	46	94 Å²	94	25%	0.246	48%	0.475	C	S	.	.	S	Bend	trans	-172.5	42.3	158	-84.9	-31.8	0	0	0	112.4	R83 G88 V89 M90	R83-D304 WeakPolarHBondContact CD-OD2 3.34Å; R83-D304 WeakPolarHBondContact CG-OD2 3.49Å; R83-D304 IonicContact CZ-OD2 3.08Å; R83-D304 IonicContact NE-OD2 2.89Å; R83-D304 PolarHBondContact NE-OD2 2.67Å; R83-D304 IonicContact NH2-OD2 2.86Å; G88-D304 WeakPolarHBondContact CA-OD1 3.41Å; V89-D304 WeakPolarHBondContact CA-OD1 3.41Å; V89-D304 PolarHBondContact N-OD1 3.43Å; M90-D304 HydrophobicContact CB-CB 4.4Å; M90-D304 HydrophobicContact CG-CB 3.96Å; M90-D304 WeakPolarHBondContact CG-OD2 3.45Å; M90-D304 VanDerWaalsContact N-CG 3.31Å; M90-D304 PolarHBondContact N-OD2 3.45Å
305	S	31.2	Very low	40.5	Very low	40 Å²	40	87.3 Å²	87.3	28%	0.28	46%	0.463	S	S	.	.	S	Bend	trans	-174.6	139.3	170.1	61.4	0	0	0	0	101	Q307	S305-Q307 VanDerWaalsContact C-N 3.25Å; S305-Q307 PolarHBondContact O-N 3.39Å; S305-Q307 PolarHBondContact OG-N 3.06Å; S305-Q307 PolarHBondContact OG-NE2 3.38Å
306	M	28.6	Very low	42.8	Very low	49 Å²	49	83.4 Å²	83.4	24%	0.241	45%	0.449	C	S	.	.			trans	-56	113.4	132.6	-85.7	128.9	75.5	0	0	103.7	D310 C311 C312 C468 Q469 A470	M306-D310 HydrophobicContact CB-CB 3.84Å; M306-D310 HydrophobicContact CG-CB 3.85Å; M306-C311 HydrophobicContact CE-CB 4.47Å; M306-C312 HydrophobicContact CE-CB 4.39Å; M306-C468 VanDerWaalsContact CE-SG 3.54Å; M306-Q469 WeakPolarHBondContact CE-O 3.18Å; M306-A470 VanDerWaalsContact SD-CA 3.59Å; M306-A470 HydrophobicContact SD-CB 4.22Å
307	Q	41.5	Very low	45.1	Very low	43 Å²	43	77.9 Å²	77.9	20%	0.201	41%	0.413	C	S	.	.			trans	-49.3	136.8	167.1	-78	-69.4	-62.2	0	0	103.8	A274 S305 Q309 D310	A274-Q307 VanDerWaalsContact CB-OE1 3.27Å; S305-Q307 VanDerWaalsContact C-N 3.25Å; S305-Q307 PolarHBondContact O-N 3.39Å; S305-Q307 PolarHBondContact OG-N 3.06Å; S305-Q307 PolarHBondContact OG-NE2 3.38Å; Q307-Q309 CarbonylContact O-C 3.6Å; Q307-Q309 PolarHBondContact O-N 3.35Å; Q307-D310 WeakPolarHBondContact CB-OD2 3.47Å; Q307-D310 PolarHBondContact N-OD2 2.91Å; Q307-D310 WeakPolarHBondContact O-CB 3.36Å; Q307-D310 PolarHBondContact O-N 3.36Å
308	P	43.6	Very low	47.8	Very low	18 Å²	18	69.7 Å²	69.7	12%	0.117	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-64.5	-5.4	-158.4	-26.3	37.1	0	0	0	114.5	P356 P444 L445	P308-P356 HydrophobicContact CB-CB 3.73Å; P308-P356 HydrophobicContact CB-CG 3.66Å; P308-P356 HydrophobicContact CG-CB 4.48Å; P308-P356 WeakPolarHBondContact O-CG 3.02Å; P308-P444 HydrophobicContact CB-CG 4.25Å; P308-P444 WeakPolarHBondContact O-CG 3.44Å; P308-L445 HydrophobicContact CB-CD1 3.75Å; P308-L445 HydrophobicContact CB-CD2 3.69Å; P308-L445 HydrophobicContact CB-CG 3.78Å; P308-L445 HydrophobicContact CG-CD1 3.93Å; P308-L445 HydrophobicContact CG-CD2 3.74Å; P308-L445 HydrophobicContact CG-CG 4.2Å
309	Q	46.1	Very low	50.6	Low	158 Å²	158	62.1 Å²	62.1	74%	0.738	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-67.3	-29.5	165.1	-55.5	-168.1	8.5	0	0	114.7	Q307 C311 P356	Q307-Q309 CarbonylContact O-C 3.6Å; Q307-Q309 PolarHBondContact O-N 3.35Å; Q309-C311 VanDerWaalsContact C-N 3.31Å; Q309-C311 PolarHBondContact O-N 3.16Å; Q309-P356 HydrophobicContact CB-CG 4.44Å; Q309-P356 HydrophobicContact CG-CB 3.8Å; Q309-P356 HydrophobicContact CG-CG 3.82Å
310	D	50.8	Low	53.5	Low	90 Å²	90	55.4 Å²	55.4	48%	0.481	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-86.6	8.8	-173.6	-46.4	-36.7	0	0	0	113.4	M306 Q307 C312	M306-D310 HydrophobicContact CB-CB 3.84Å; M306-D310 HydrophobicContact CG-CB 3.85Å; Q307-D310 WeakPolarHBondContact CB-OD2 3.47Å; Q307-D310 PolarHBondContact N-OD2 2.91Å; Q307-D310 WeakPolarHBondContact O-CB 3.36Å; Q307-D310 PolarHBondContact O-N 3.36Å; D310-C312 PolarHBondContact O-N 3.25Å
311	C	63.4	Low	56.6	Low	1 Å²	1	49.9 Å²	49.9	1%	0.007	28%	0.28	C	S	.	.			trans	-55.6	120.5	-178.5	178	0	0	0	0	110	M306 Q309 R441 P444 C468	M306-C311 HydrophobicContact CE-CB 4.47Å; Q309-C311 VanDerWaalsContact C-N 3.31Å; Q309-C311 PolarHBondContact O-N 3.16Å; C311-R441 HydrophobicContact CB-CG 4.4Å; C311-R441 WeakPolarHBondContact CB-O 3.5Å; C311-R441 WeakPolarHBondContact O-CD 3.38Å; C311-R441 WeakPolarHBondContact O-CG 3.35Å; C311-R441 PolarHBondContact O-NE 2.84Å; C311-P444 HydrophobicContact CB-CB 4.07Å; C311-P444 HydrophobicContact CB-CG 4.01Å; C311-C468 VanDerWaalsContact CA-SG 3.54Å; C311-C468 HydrophobicContact CB-CB 4Å; C311-C468 WeakPolarHBondContact CB-SG 3.42Å; C311-C468 WeakPolarHBondContact SG-CB 3.5Å; C311-C468 CovalentContact SG-SG 2.05Å; C311-C468 PolarHBondContact SG-SG 3.01Å
312	C	66.6	Low	59.8	Low	30 Å²	30	45.4 Å²	45.4	20%	0.203	26%	0.259	C	S	.	.			trans	-101.3	-4.3	-177.6	63.9	0	0	0	0	112.7	M306 D310 C314 C472 C544	M306-C312 HydrophobicContact CE-CB 4.39Å; D310-C312 PolarHBondContact O-N 3.25Å; C312-C314 PolarHBondContact O-N 2.9Å; C312-C314 VanDerWaalsContact O-N 3.16Å; C312-C472 HydrophobicContact CB-CB 3.94Å; C312-C472 WeakPolarHBondContact CB-SG 3.06Å; C312-C472 WeakPolarHBondContact SG-CA 3.38Å; C312-C472 WeakPolarHBondContact SG-CB 3.46Å; C312-C472 CovalentContact SG-SG 2.04Å; C312-C472 PolarHBondContact SG-SG 3.38Å; C312-C544 PolarHBondContact O-SG 2.8Å
313	A	66.2	Low	63.1	Low	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.			trans	-63.3	114.3	172.1	0	0	0	0	0	111.1	R441 C472 W474 W542	A313-R441 WeakPolarHBondContact O-CB 3.47Å; A313-R441 WeakPolarHBondContact O-CG 3.47Å; A313-C472 VanDerWaalsContact CA-O 3.3Å; A313-C472 WeakPolarHBondContact CA-O 3.37Å; A313-W474 HydrophobicContact CB-CD2 3.97Å; A313-W474 HydrophobicContact CB-CE3 4.29Å; A313-W474 HydrophobicContact CB-CH2 3.92Å; A313-W474 HydrophobicContact CB-CZ2 3.57Å; A313-W474 HydrophobicContact CB-CZ3 4.29Å; A313-W542 HydrophobicContact CB-CH2 4.47Å; A313-W542 HydrophobicContact CB-CZ2 3.89Å
314	C	66.2	Low	66.2	Low	29 Å²	29	36.7 Å²	36.7	20%	0.196	22%	0.217	C	C	.	.			trans	-68	166.6	170	-45.2	0	0	0	0	111.4	C312 W474 W542 C544	C312-C314 PolarHBondContact O-N 2.9Å; C312-C314 VanDerWaalsContact O-N 3.16Å; C314-W474 PolarHBondContact O-NE1 3.29Å; C314-W542 HydrophobicContact CB-CE3 4.08Å; C314-W542 HydrophobicContact CB-CH2 3.52Å; C314-W542 HydrophobicContact CB-CZ2 4.37Å; C314-W542 HydrophobicContact CB-CZ3 3.27Å; C314-W542 VanDerWaalsContact O-CE2 3.32Å; C314-W542 WeakPolarHBondContact O-CZ2 3.27Å; C314-C544 WeakPolarHBondContact CB-SG 3.45Å; C314-C544 PolarHBondContact N-SG 3.49Å; C314-C544 WeakPolarHBondContact SG-CB 3.43Å; C314-C544 CovalentContact SG-SG 2.07Å; C314-C544 PolarHBondContact SG-SG 2.75Å
315	G	67.1	Low	69.4	Low	60 Å²	60	34.7 Å²	34.7	62%	0.619	21%	0.208	S	C	*	.	S	Bend	trans	64.4	-148.9	179.4	0	0	0	0	0	114.5
316	S	74	Confident	72.4	Confident	75 Å²	75	35.6 Å²	35.6	52%	0.524	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.9	178.6	60.6	0	0	0	0	110.1	V439 P538	S316-V439 CarbonylContact C-O 3.27Å; S316-V439 VanDerWaalsContact CA-O 3.26Å; S316-V439 WeakPolarHBondContact CA-O 3.02Å; S316-V439 WeakPolarHBondContact CB-O 3.38Å; S316-P538 WeakPolarHBondContact O-CD 3.37Å
317	A	75.8	Confident	75.5	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.7	172.1	0	0	0	0	0	111.1	Y319 S438 V439 W474 R535 L537	A317-Y319 HydrophobicContact CB-CD2 4.33Å; A317-Y319 HydrophobicContact CB-CE2 3.68Å; A317-S438 CarbonylContact O-C 3.52Å; A317-S438 WeakPolarHBondContact O-CA 3.42Å; A317-V439 HydrophobicContact CB-CG2 3.83Å; A317-V439 PolarHBondContact N-O 3.43Å; A317-V439 PolarHBondContact O-N 2.78Å; A317-W474 HydrophobicContact CB-CB 3.8Å; A317-W474 VanDerWaalsContact CB-CD1 3.48Å; A317-W474 HydrophobicContact CB-CD2 3.83Å; A317-W474 HydrophobicContact CB-CE3 4.5Å; A317-W474 HydrophobicContact CB-CG 3.43Å; A317-W474 VanDerWaalsContact CB-CG 3.43Å; A317-R535 HydrophobicContact CB-CG 4.26Å; A317-L537 CarbonylContact C-O 3.58Å; A317-L537 WeakPolarHBondContact CA-O 3.33Å; A317-L537 VanDerWaalsContact CB-O 3.32Å; A317-L537 WeakPolarHBondContact CB-O 3.4Å
318	S	84.4	Confident	77.9	Confident	17 Å²	17	31.9 Å²	31.9	12%	0.119	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.6	171.6	-63.8	0	0	0	0	109.4	S438 V536 L537	S318-S438 PolarHBondContact OG-OG 2.87Å; S318-V536 PolarHBondContact O-N 3.46Å; S318-L537 PolarHBondContact N-O 3.23Å; S318-L537 PolarHBondContact O-N 2.92Å
319	Y	88.5	Confident	80.1	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.8	-179.4	-70.1	-101.2	0	0	0	110.1	A317 Y436 V437 V439 V467 A475 L533 E534 R535	A317-Y319 HydrophobicContact CB-CD2 4.33Å; A317-Y319 HydrophobicContact CB-CE2 3.68Å; Y319-Y436 CarbonylContact O-C 3.5Å; Y319-Y436 WeakPolarHBondContact O-CA 3.5Å; Y319-V437 PolarHBondContact N-O 2.99Å; Y319-V437 PolarHBondContact O-N 3.45Å; Y319-V439 HydrophobicContact CD2-CG2 4.02Å; Y319-V439 HydrophobicContact CE2-CG2 3.61Å; Y319-V467 HydrophobicContact CD2-CG2 4.32Å; Y319-V467 HydrophobicContact CE1-CB 4.26Å; Y319-V467 HydrophobicContact CE1-CG1 4.43Å; Y319-V467 HydrophobicContact CE2-CB 4.03Å; Y319-V467 HydrophobicContact CE2-CG2 3.56Å; Y319-V467 WeakPolarHBondContact OH-CB 3.45Å; Y319-V467 PolarHBondContact OH-O 2.98Å; Y319-A475 WeakPolarHBondContact CE1-O 3.28Å; Y319-A475 PolarHBondContact OH-N 3.4Å; Y319-A475 PolarHBondContact OH-O 2.64Å; Y319-L533 HydrophobicContact CD1-CB 4.11Å; Y319-E534 CarbonylContact C-O 3.2Å; Y319-E534 VanDerWaalsContact CA-O 3.27Å; Y319-E534 WeakPolarHBondContact CA-O 3.4Å; Y319-R535 HydrophobicContact CD1-CB 4.08Å; Y319-R535 HydrophobicContact CE1-CB 3.77Å; Y319-R535 HydrophobicContact CE1-CG 4.19Å; Y319-R535 HydrophobicContact CE2-CG 4.41Å
320	K	92	Very high	82.3	Confident	60 Å²	60	35.8 Å²	35.8	26%	0.261	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113	161.5	171.4	179.1	151.8	-142.1	0	107.2	Y436 L533 E534 V536	K320-Y436 HydrophobicContact CB-CD1 4.01Å; K320-Y436 HydrophobicContact CB-CE1 3.79Å; K320-Y436 HydrophobicContact CD-CE1 4.5Å; K320-Y436 HydrophobicContact CG-CE1 4.21Å; K320-L533 WeakPolarHBondContact O-CA 3.28Å; K320-E534 HydrophobicContact CB-CB 4.4Å; K320-E534 PolarHBondContact N-O 3.01Å; K320-E534 IonicContact NZ-OE2 2.6Å; K320-E534 PolarHBondContact NZ-OE2 2.89Å; K320-E534 PolarHBondContact O-N 3.29Å; K320-V536 HydrophobicContact CB-CG2 3.6Å
321	L	92.9	Very high	84.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.3	176.1	-171.5	160.8	0	0	0	107.9	V418 T434 T435 V437 I446 F448 L531 T532 L533	L321-V418 HydrophobicContact CD1-CG1 3.84Å; L321-V418 HydrophobicContact CD1-CG2 4.16Å; L321-T434 CarbonylContact O-C 3.48Å; L321-T434 WeakPolarHBondContact O-CA 3.46Å; L321-T435 HydrophobicContact CB-CG2 4.08Å; L321-T435 HydrophobicContact CD2-CG2 4.16Å; L321-T435 HydrophobicContact CG-CG2 4.49Å; L321-T435 PolarHBondContact N-O 2.75Å; L321-T435 PolarHBondContact O-N 3.25Å; L321-T435 VanDerWaalsContact O-O 3.1Å; L321-V437 HydrophobicContact CB-CG1 4.41Å; L321-V437 HydrophobicContact CD1-CG1 4.4Å; L321-I446 HydrophobicContact CD1-CG2 4.33Å; L321-F448 HydrophobicContact CD1-CD1 4.01Å; L321-F448 HydrophobicContact CD1-CE1 4.23Å; L321-F448 HydrophobicContact CD2-CE1 4.3Å; L321-L531 HydrophobicContact CD1-CD1 4.39Å; L321-L531 HydrophobicContact CD2-CD1 3.51Å; L321-L531 HydrophobicContact CG-CD1 3.67Å; L321-T532 WeakPolarHBondContact CA-O 3.46Å; L321-L533 HydrophobicContact CB-CD2 3.83Å; L321-L533 HydrophobicContact CD1-CD2 3.88Å; L321-L533 HydrophobicContact CG-CD2 3.68Å
322	T	95.3	Very high	85.6	Confident	14 Å²	14	33.4 Å²	33.4	9%	0.086	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118	175.9	-43.1	0	0	0	0	109.2	T434 L531 T532	T322-T434 HydrophobicContact CG2-CG2 3.76Å; T322-L531 WeakPolarHBondContact O-CA 3.3Å; T322-T532 WeakPolarHBondContact CB-OG1 3.1Å; T322-T532 PolarHBondContact N-O 2.93Å; T322-T532 PolarHBondContact O-N 3.04Å; T322-T532 PolarHBondContact OG1-OG1 2.83Å
323	F	95.5	Very high	86.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.7	167.1	179	-87.6	0	0	0	108.8	W346 L349 M423 T432 R433 F448 T450 T460 L482 A529	F323-W346 AromaticContact CE1-CD2 3.83Å; F323-W346 HydrophobicContact CE1-CD2 3.83Å; F323-W346 AromaticContact CE1-CE2 3.98Å; F323-W346 HydrophobicContact CE1-CE3 4.2Å; F323-W346 HydrophobicContact CE1-CG 4.06Å; F323-W346 HydrophobicContact CE1-CZ2 4.44Å; F323-W346 AromaticContact CZ-CD2 3.72Å; F323-W346 HydrophobicContact CZ-CD2 3.72Å; F323-W346 AromaticContact CZ-CE2 3.93Å; F323-W346 AromaticContact CZ-CE3 3.63Å; F323-W346 HydrophobicContact CZ-CE3 3.63Å; F323-W346 HydrophobicContact CZ-CG 4.39Å; F323-W346 AromaticContact CZ-CH2 3.94Å; F323-W346 HydrophobicContact CZ-CH2 3.94Å; F323-W346 HydrophobicContact CZ-CZ2 4.05Å; F323-W346 AromaticContact CZ-CZ3 3.74Å; F323-W346 HydrophobicContact CZ-CZ3 3.74Å; F323-L349 HydrophobicContact CB-CD2 3.6Å; F323-L349 HydrophobicContact CD2-CD2 4.12Å; F323-L349 HydrophobicContact CG-CD2 3.87Å; F323-M423 HydrophobicContact CD1-CE 3.68Å; F323-M423 HydrophobicContact CE1-CE 3.62Å; F323-T432 CarbonylContact O-C 3.57Å; F323-T432 VanDerWaalsContact O-CA 3.24Å; F323-T432 WeakPolarHBondContact O-CA 3.49Å; F323-R433 PolarHBondContact N-O 3.36Å; F323-R433 PolarHBondContact O-N 2.92Å; F323-F448 HydrophobicContact CD2-CE2 4.06Å; F323-F448 HydrophobicContact CD2-CZ 4.15Å; F323-F448 HydrophobicContact CE2-CE2 4.5Å; F323-T450 HydrophobicContact CE2-CG2 3.8Å; F323-T450 HydrophobicContact CZ-CG2 3.9Å; F323-T460 HydrophobicContact CE2-CG2 4.1Å; F323-T460 HydrophobicContact CZ-CG2 4.44Å; F323-L482 HydrophobicContact CD2-CD1 3.96Å; F323-L482 HydrophobicContact CE2-CD1 3.79Å; F323-A529 HydrophobicContact CD2-CB 4.34Å; F323-A529 HydrophobicContact CE1-CB 4.17Å; F323-A529 HydrophobicContact CE2-CB 3.48Å; F323-A529 VanDerWaalsContact CE2-CB 3.48Å; F323-A529 HydrophobicContact CZ-CB 3.38Å
324	T	95.2	Very high	87.9	Confident	39 Å²	39	39.7 Å²	39.7	24%	0.239	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.1	176	-53.5	0	0	0	0	107.7	T432 A529 K530	T324-T432 HydrophobicContact CG2-CG2 3.89Å; T324-A529 CarbonylContact O-C 3.53Å; T324-A529 VanDerWaalsContact O-CA 3.24Å; T324-A529 WeakPolarHBondContact O-CA 3.35Å; T324-A529 WeakPolarHBondContact O-CB 3.47Å; T324-K530 PolarHBondContact N-O 3.24Å; T324-K530 PolarHBondContact O-N 2.85Å
325	G	93.1	Very high	88.9	Confident	4 Å²	4	42.2 Å²	42.2	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.7	174.4	0	0	0	0	0	111.5	L429 E431	G325-L429 CarbonylContact C-O 3.45Å; G325-L429 WeakPolarHBondContact CA-O 3.48Å; G325-E431 PolarHBondContact N-O 3.29Å
326	M	93.5	Very high	89.9	Confident	60 Å²	60	40.2 Å²	40.2	30%	0.296	22%	0.216	S	C	.	.			trans	-131.1	8.3	177.5	-63.2	-179.2	62.2	0	0	111.6	T328 T331 P527 V528 K530	M326-T328 PolarHBondContact O-N 3.32Å; M326-T331 PolarHBondContact O-OG1 3.43Å; M326-P527 HydrophobicContact CE-CG 4.13Å; M326-P527 HydrophobicContact SD-CG 4.29Å; M326-V528 CarbonylContact C-O 3.56Å; M326-V528 WeakPolarHBondContact CA-O 3.39Å; M326-V528 PolarHBondContact N-O 3.01Å; M326-K530 HydrophobicContact SD-CB 3.84Å
327	W	93.5	Very high	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.			trans	-86.9	102	179.9	178	44.2	0	0	0	108.8	H332 W336 L344 W346 L429 L452 G453 Y495 V528	W327-H332 AromaticContact CD1-CG 3.81Å; W327-H332 AromaticContact CD1-ND1 3.78Å; W327-W336 AromaticContact CD1-CZ3 3.77Å; W327-W336 HydrophobicContact CD2-CH2 4.39Å; W327-W336 HydrophobicContact CD2-CZ3 4.33Å; W327-W336 AromaticContact CE2-CZ3 3.75Å; W327-W336 HydrophobicContact CG-CH2 4.5Å; W327-W336 HydrophobicContact CG-CZ3 4.31Å; W327-W336 HydrophobicContact CZ2-CZ3 4.26Å; W327-W336 AromaticContact NE1-CZ3 3.37Å; W327-L344 HydrophobicContact CH2-CD2 3.53Å; W327-L344 HydrophobicContact CZ2-CD2 3.89Å; W327-L344 HydrophobicContact CZ3-CD2 4.21Å; W327-W346 HydrophobicContact CB-CH2 4.38Å; W327-W346 HydrophobicContact CB-CZ2 3.71Å; W327-W346 HydrophobicContact CE3-CZ2 4.33Å; W327-L429 HydrophobicContact CD2-CD1 4.33Å; W327-L429 HydrophobicContact CE3-CD1 3.93Å; W327-L429 HydrophobicContact CE3-CD2 3.92Å; W327-L429 HydrophobicContact CZ3-CD1 4.2Å; W327-L429 HydrophobicContact CZ3-CD2 4.02Å; W327-L429 WeakPolarHBondContact O-CB 3.46Å; W327-L429 WeakPolarHBondContact O-CD1 3.08Å; W327-L452 HydrophobicContact CD2-CD2 4.15Å; W327-L452 HydrophobicContact CE3-CB 4.47Å; W327-L452 HydrophobicContact CE3-CD2 4.31Å; W327-L452 HydrophobicContact CE3-CG 4.47Å; W327-L452 HydrophobicContact CG-CD2 4.39Å; W327-L452 HydrophobicContact CZ3-CB 4.23Å; W327-G453 VanDerWaalsContact CH2-O 3.25Å; W327-G453 WeakPolarHBondContact CH2-O 3.4Å; W327-G453 WeakPolarHBondContact CZ3-O 3.18Å; W327-Y495 AromaticContact CE2-CE1 3.71Å; W327-Y495 AromaticContact CE2-CZ 3.81Å; W327-Y495 HydrophobicContact CH2-CD1 4.4Å; W327-Y495 HydrophobicContact CH2-CE1 4.35Å; W327-Y495 AromaticContact CZ2-CD1 3.68Å; W327-Y495 HydrophobicContact CZ2-CD1 3.68Å; W327-Y495 AromaticContact CZ2-CE1 3.33Å; W327-Y495 HydrophobicContact CZ2-CE1 3.33Å; W327-Y495 HydrophobicContact CZ2-CE2 4.33Å; W327-Y495 HydrophobicContact CZ2-CG 4.38Å; W327-Y495 AromaticContact CZ2-CZ 3.71Å; W327-Y495 AromaticContact NE1-CE1 3.66Å; W327-Y495 AromaticContact NE1-CZ 3.34Å; W327-Y495 VanDerWaalsContact NE1-CZ 3.34Å; W327-Y495 PolarHBondContact NE1-OH 3.19Å; W327-V528 HydrophobicContact CB-CB 4.21Å; W327-V528 PolarHBondContact N-O 2.94Å
328	T	92.3	Very high	90.7	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.086	22%	0.215	C	C	.	.			trans	-137.5	161.3	-173.7	87.2	0	0	0	0	109.6	M326 I330 T331 H332 W336 E430	M326-T328 PolarHBondContact O-N 3.32Å; T328-I330 PolarHBondContact O-N 2.76Å; T328-I330 PolarHBondContact OG1-N 3.28Å; T328-I330 VanDerWaalsContact OG1-N 3.16Å; T328-T331 PolarHBondContact N-OG1 2.99Å; T328-T331 PolarHBondContact O-N 3.14Å; T328-T331 VanDerWaalsContact O-N 3.12Å; T328-T331 PolarHBondContact O-OG1 2.9Å; T328-T331 PolarHBondContact OG1-N 3.46Å; T328-T331 PolarHBondContact OG1-OG1 3.07Å; T328-H332 PolarHBondContact O-N 3.2Å; T328-W336 VanDerWaalsContact CA-CH2 3.42Å; T328-W336 WeakPolarHBondContact O-CZ3 3.31Å; T328-E430 HydrophobicContact CG2-CG 3.47Å; T328-E430 VanDerWaalsContact CG2-CG 3.47Å; T328-E430 WeakPolarHBondContact CG2-OE1 3.39Å
329	K	90.5	Very high	90.2	Very high	104 Å²	104	48.3 Å²	48.3	45%	0.452	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21	174.6	-168	174.5	-178.5	178.7	0	113.5	P333 W336	K329-P333 VanDerWaalsContact O-CA 3.23Å; K329-P333 WeakPolarHBondContact O-CA 3.45Å; K329-P333 VanDerWaalsContact O-CB 3.29Å; K329-P333 WeakPolarHBondContact O-CB 3.08Å; K329-W336 HydrophobicContact CB-CD2 3.87Å; K329-W336 HydrophobicContact CB-CE3 4.45Å; K329-W336 HydrophobicContact CB-CG 4.09Å; K329-W336 HydrophobicContact CB-CZ2 4.14Å; K329-W336 HydrophobicContact CD-CG 4.31Å; K329-W336 HydrophobicContact CG-CB 4.35Å; K329-W336 HydrophobicContact CG-CD2 4.14Å; K329-W336 HydrophobicContact CG-CG 3.82Å; K329-W336 VanDerWaalsContact N-CH2 3.35Å
330	I	91.4	Very high	89.5	Confident	153 Å²	153	52.9 Å²	52.9	79%	0.785	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-42.2	178.1	-57.8	174.4	0	0	0	110.4	T328	T328-I330 PolarHBondContact O-N 2.76Å; T328-I330 PolarHBondContact OG1-N 3.28Å; T328-I330 VanDerWaalsContact OG1-N 3.16Å
331	T	92	Very high	88.7	Confident	41 Å²	41	52.7 Å²	52.7	25%	0.252	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-32.9	-177.7	56	0	0	0	0	112.8	M326 T328 T523	M326-T331 PolarHBondContact O-OG1 3.43Å; T328-T331 PolarHBondContact N-OG1 2.99Å; T328-T331 PolarHBondContact O-N 3.14Å; T328-T331 VanDerWaalsContact O-N 3.12Å; T328-T331 PolarHBondContact O-OG1 2.9Å; T328-T331 PolarHBondContact OG1-N 3.46Å; T328-T331 PolarHBondContact OG1-OG1 3.07Å; T331-T523 WeakPolarHBondContact O-CB 3.24Å; T331-T523 PolarHBondContact O-OG1 3.07Å
332	H	92.5	Very high	88	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-134.4	67.2	-177.8	-54.2	79.7	0	0	0	110.3	W327 T328 K334 F522 P527	W327-H332 AromaticContact CD1-CG 3.81Å; W327-H332 AromaticContact CD1-ND1 3.78Å; T328-H332 PolarHBondContact O-N 3.2Å; H332-K334 VanDerWaalsContact C-N 3.29Å; H332-K334 PolarHBondContact O-N 3.34Å; H332-F522 AromaticContact CD2-CD1 3.76Å; H332-P527 PolarHBondContact CE1-O 2.96Å
333	P	91.6	Very high	87.4	Confident	79 Å²	79	56.6 Å²	56.6	51%	0.513	32%	0.317	S	S	.	.			trans	-71.3	-17.9	-169.2	27.6	-36.2	0	0	0	115.1	K329	K329-P333 VanDerWaalsContact O-CA 3.23Å; K329-P333 WeakPolarHBondContact O-CA 3.45Å; K329-P333 VanDerWaalsContact O-CB 3.29Å; K329-P333 WeakPolarHBondContact O-CB 3.08Å
334	K	89	Confident	87.1	Confident	83 Å²	83	56.6 Å²	56.6	36%	0.361	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	134.1	-172.4	177.8	179.8	163.8	-161.6	0	110.6	H332 W336 N519 S520 P521	H332-K334 VanDerWaalsContact C-N 3.29Å; H332-K334 PolarHBondContact O-N 3.34Å; K334-W336 PolarHBondContact O-N 3.16Å; K334-N519 WeakPolarHBondContact CE-O 3.42Å; K334-N519 PolarHBondContact NZ-O 2.85Å; K334-S520 WeakPolarHBondContact CE-O 3.19Å; K334-S520 PolarHBondContact NZ-O 3.32Å; K334-P521 VanDerWaalsContact O-CB 3.28Å; K334-P521 WeakPolarHBondContact O-CB 3.38Å
335	D	85.8	Confident	87	Confident	83 Å²	83	55.7 Å²	55.7	44%	0.444	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	22.9	179.5	-50.2	-40.1	0	0	0	115.2	P337 Y495 P521	D335-P337 WeakPolarHBondContact O-CD 3.43Å; D335-Y495 WeakPolarHBondContact O-CD2 3.31Å; D335-P521 HydrophobicContact CB-CB 4.28Å
336	W	89.1	Confident	87.1	Confident	18 Å²	18	55.5 Å²	55.5	7%	0.068	31%	0.308	C	S	.	.			trans	-53.9	128.7	-177	-168.7	-100.3	0	0	0	111.8	W327 T328 K329 K334 V338 L344 E426 L429	W327-W336 AromaticContact CD1-CZ3 3.77Å; W327-W336 HydrophobicContact CD2-CH2 4.39Å; W327-W336 HydrophobicContact CD2-CZ3 4.33Å; W327-W336 AromaticContact CE2-CZ3 3.75Å; W327-W336 HydrophobicContact CG-CH2 4.5Å; W327-W336 HydrophobicContact CG-CZ3 4.31Å; W327-W336 HydrophobicContact CZ2-CZ3 4.26Å; W327-W336 AromaticContact NE1-CZ3 3.37Å; T328-W336 VanDerWaalsContact CA-CH2 3.42Å; T328-W336 WeakPolarHBondContact O-CZ3 3.31Å; K329-W336 HydrophobicContact CB-CD2 3.87Å; K329-W336 HydrophobicContact CB-CE3 4.45Å; K329-W336 HydrophobicContact CB-CG 4.09Å; K329-W336 HydrophobicContact CB-CZ2 4.14Å; K329-W336 HydrophobicContact CD-CG 4.31Å; K329-W336 HydrophobicContact CG-CB 4.35Å; K329-W336 HydrophobicContact CG-CD2 4.14Å; K329-W336 HydrophobicContact CG-CG 3.82Å; K329-W336 VanDerWaalsContact N-CH2 3.35Å; K334-W336 PolarHBondContact O-N 3.16Å; W336-V338 PolarHBondContact O-N 2.88Å; W336-L344 HydrophobicContact CZ2-CD1 3.64Å; W336-L344 HydrophobicContact CZ2-CD2 4.29Å; W336-E426 HydrophobicContact CZ2-CG 4.25Å; W336-E426 PolarHBondContact NE1-OE1 3.06Å; W336-L429 HydrophobicContact CH2-CD1 3.59Å; W336-L429 HydrophobicContact CZ2-CD1 3.84Å
337	P	84.4	Confident	87.1	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.045	30%	0.295	C	S	.	.			trans	-63.8	53	-178.7	-28.5	37.5	0	0	0	118.1	D335 H339 N340 L344 P454 Y495 L496	D335-P337 WeakPolarHBondContact O-CD 3.43Å; P337-H339 PolarHBondContact O-N 3.22Å; P337-N340 CarbonylContact O-C 3.51Å; P337-N340 PolarHBondContact O-N 2.97Å; P337-N340 VanDerWaalsContact O-N 3.07Å; P337-L344 HydrophobicContact CB-CD2 4.17Å; P337-L344 HydrophobicContact CB-CG 4.4Å; P337-L344 HydrophobicContact CG-CD2 3.92Å; P337-P454 HydrophobicContact CB-CG 4.41Å; P337-P454 HydrophobicContact CG-CG 3.96Å; P337-Y495 HydrophobicContact CG-CD2 4.19Å; P337-Y495 HydrophobicContact CG-CG 4.21Å; P337-L496 HydrophobicContact CB-CD1 3.99Å; P337-L496 HydrophobicContact CG-CD1 4.23Å
338	V	81.1	Confident	87	Confident	77 Å²	77	55.5 Å²	55.5	47%	0.467	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.5	-175.9	178.9	0	0	0	0	113.9	W336	W336-V338 PolarHBondContact O-N 2.88Å
339	H	75.8	Confident	87.1	Confident	179 Å²	179	54.9 Å²	54.9	83%	0.829	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.5	-177.7	-62.8	-59.3	0	0	0	114.3	P337	P337-H339 PolarHBondContact O-N 3.22Å
340	N	72.6	Confident	87.2	Confident	96 Å²	96	49.9 Å²	49.9	51%	0.513	28%	0.284	S	S	.	.			trans	-135.2	62	-177.8	-73.4	-32.3	0	0	0	111	P337 G342 A343	P337-N340 CarbonylContact O-C 3.51Å; P337-N340 PolarHBondContact O-N 2.97Å; P337-N340 VanDerWaalsContact O-N 3.07Å; N340-G342 PolarHBondContact O-N 3.38Å; N340-A343 HydrophobicContact CB-CB 4.03Å; N340-A343 WeakPolarHBondContact O-CB 3.16Å; N340-A343 PolarHBondContact O-N 3.12Å
341	P	76	Confident	87.2	Confident	56 Å²	56	42.6 Å²	42.6	36%	0.364	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24	-175.1	27.2	-35.4	0	0	0	113.2	A343 L344 E426	P341-A343 VanDerWaalsContact C-N 3.27Å; P341-A343 PolarHBondContact O-N 3.23Å; P341-L344 WeakPolarHBondContact O-CB 3.46Å; P341-L344 PolarHBondContact O-N 3.25Å; P341-E426 HydrophobicContact CB-CB 4.3Å; P341-E426 PolarHBondContact O-N 2.68Å
342	G	77.6	Confident	87.1	Confident	58 Å²	58	40.7 Å²	40.7	60%	0.598	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-72.9	-13.2	172	0	0	0	0	0	114.8	N340	N340-G342 PolarHBondContact O-N 3.38Å
343	A	82.2	Confident	87	Confident	38 Å²	38	40.7 Å²	40.7	31%	0.314	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-86.5	-13.7	173.5	0	0	0	0	0	112.6	N340 P341 H345 G453 P454	N340-A343 HydrophobicContact CB-CB 4.03Å; N340-A343 WeakPolarHBondContact O-CB 3.16Å; N340-A343 PolarHBondContact O-N 3.12Å; P341-A343 VanDerWaalsContact C-N 3.27Å; P341-A343 PolarHBondContact O-N 3.23Å; A343-H345 PolarHBondContact O-N 3.41Å; A343-H345 PolarHBondContact O-ND1 2.95Å; A343-G453 CarbonylContact O-C 3.59Å; A343-P454 WeakPolarHBondContact O-CD 3.48Å
344	L	90.8	Very high	86.4	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.			trans	-67.5	122.6	172.4	-72.3	168.1	0	0	0	109.6	W327 W336 P337 P341 G425 E426 L429 G453	W327-L344 HydrophobicContact CH2-CD2 3.53Å; W327-L344 HydrophobicContact CZ2-CD2 3.89Å; W327-L344 HydrophobicContact CZ3-CD2 4.21Å; W336-L344 HydrophobicContact CZ2-CD1 3.64Å; W336-L344 HydrophobicContact CZ2-CD2 4.29Å; P337-L344 HydrophobicContact CB-CD2 4.17Å; P337-L344 HydrophobicContact CB-CG 4.4Å; P337-L344 HydrophobicContact CG-CD2 3.92Å; P341-L344 WeakPolarHBondContact O-CB 3.46Å; P341-L344 PolarHBondContact O-N 3.25Å; L344-G425 WeakPolarHBondContact O-CA 3.34Å; L344-G425 PolarHBondContact O-N 2.95Å; L344-E426 HydrophobicContact CD1-CB 3.97Å; L344-E426 HydrophobicContact CD1-CG 4.09Å; L344-L429 HydrophobicContact CB-CD1 4.05Å; L344-L429 HydrophobicContact CB-CD2 4.46Å; L344-L429 HydrophobicContact CB-CG 4.41Å; L344-L429 HydrophobicContact CD1-CD1 4.36Å; L344-L429 HydrophobicContact CD2-CD1 4.32Å; L344-L429 HydrophobicContact CG-CD1 4.49Å; L344-G453 CarbonylContact C-O 3.57Å; L344-G453 VanDerWaalsContact CA-O 3.27Å; L344-G453 WeakPolarHBondContact CA-O 3.43Å
345	H	92.9	Very high	85.8	Confident	19 Å²	19	33.4 Å²	33.4	9%	0.088	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	157.3	179.9	65.6	-79.7	0	0	0	113.8	A343 T347 M423 W424 M451 G453	A343-H345 PolarHBondContact O-N 3.41Å; A343-H345 PolarHBondContact O-ND1 2.95Å; H345-T347 VanDerWaalsContact CD2-CG2 3.46Å; H345-T347 WeakPolarHBondContact CD2-CG2 3.39Å; H345-T347 WeakPolarHBondContact NE2-CG2 3.38Å; H345-M423 CarbonylContact C-O 3.17Å; H345-M423 WeakPolarHBondContact CA-O 3.28Å; H345-M423 WeakPolarHBondContact CB-O 3.34Å; H345-W424 HydrophobicContact CB-CB 4.35Å; H345-W424 HydrophobicContact CB-CD2 3.64Å; H345-W424 HydrophobicContact CB-CE3 3.54Å; H345-W424 HydrophobicContact CB-CG 4.01Å; H345-W424 HydrophobicContact CB-CZ3 4.05Å; H345-W424 AromaticContact CD2-CE3 3.99Å; H345-W424 AromaticContact CD2-CH2 3.49Å; H345-W424 VanDerWaalsContact CD2-CH2 3.49Å; H345-W424 WeakPolarHBondContact CD2-CH2 3.29Å; H345-W424 AromaticContact CD2-CZ2 3.72Å; H345-W424 AromaticContact CD2-CZ3 3.63Å; H345-W424 AromaticContact CE1-CH2 3.79Å; H345-W424 AromaticContact CE1-CZ3 3.57Å; H345-W424 AromaticContact CG-CD2 3.96Å; H345-W424 AromaticContact CG-CE3 3.55Å; H345-W424 AromaticContact CG-CH2 3.88Å; H345-W424 AromaticContact CG-CZ3 3.51Å; H345-W424 AromaticContact ND1-CE3 3.82Å; H345-W424 AromaticContact ND1-CZ3 3.48Å; H345-W424 WeakPolarHBondContact ND1-CZ3 3.44Å; H345-W424 AromaticContact NE2-CH2 3.45Å; H345-W424 WeakPolarHBondContact NE2-CH2 3.49Å; H345-W424 AromaticContact NE2-CZ3 3.7Å; H345-M451 WeakPolarHBondContact NE2-CE 3.32Å; H345-G453 PolarHBondContact N-O 3.46Å; H345-G453 PolarHBondContact O-N 3.24Å
346	W	94.4	Very high	84.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.1	156.2	-65.3	100.5	0	0	0	108.3	F323 W327 G422 M423 L429 T450 L452 T460 V528 A529	F323-W346 AromaticContact CE1-CD2 3.83Å; F323-W346 HydrophobicContact CE1-CD2 3.83Å; F323-W346 AromaticContact CE1-CE2 3.98Å; F323-W346 HydrophobicContact CE1-CE3 4.2Å; F323-W346 HydrophobicContact CE1-CG 4.06Å; F323-W346 HydrophobicContact CE1-CZ2 4.44Å; F323-W346 AromaticContact CZ-CD2 3.72Å; F323-W346 HydrophobicContact CZ-CD2 3.72Å; F323-W346 AromaticContact CZ-CE2 3.93Å; F323-W346 AromaticContact CZ-CE3 3.63Å; F323-W346 HydrophobicContact CZ-CE3 3.63Å; F323-W346 HydrophobicContact CZ-CG 4.39Å; F323-W346 AromaticContact CZ-CH2 3.94Å; F323-W346 HydrophobicContact CZ-CH2 3.94Å; F323-W346 HydrophobicContact CZ-CZ2 4.05Å; F323-W346 AromaticContact CZ-CZ3 3.74Å; F323-W346 HydrophobicContact CZ-CZ3 3.74Å; W327-W346 HydrophobicContact CB-CH2 4.38Å; W327-W346 HydrophobicContact CB-CZ2 3.71Å; W327-W346 HydrophobicContact CE3-CZ2 4.33Å; W346-G422 CarbonylContact O-C 3.52Å; W346-G422 WeakPolarHBondContact O-CA 3.47Å; W346-M423 HydrophobicContact CB-CB 4.33Å; W346-M423 HydrophobicContact CB-CE 3.94Å; W346-M423 HydrophobicContact CG-CE 3.84Å; W346-M423 PolarHBondContact N-O 3.37Å; W346-M423 PolarHBondContact O-N 3.49Å; W346-L429 PolarHBondContact NE1-O 3.18Å; W346-T450 HydrophobicContact CE3-CG2 3.81Å; W346-T450 HydrophobicContact CZ3-CG2 4.18Å; W346-L452 HydrophobicContact CE3-CG 4.21Å; W346-L452 HydrophobicContact CH2-CD1 4.14Å; W346-L452 HydrophobicContact CH2-CD2 4.03Å; W346-L452 HydrophobicContact CH2-CG 3.75Å; W346-L452 HydrophobicContact CZ3-CD1 3.61Å; W346-L452 HydrophobicContact CZ3-CD2 4.25Å; W346-L452 HydrophobicContact CZ3-CG 3.46Å; W346-L452 VanDerWaalsContact CZ3-CG 3.46Å; W346-T460 HydrophobicContact CH2-CG2 4.04Å; W346-T460 HydrophobicContact CZ3-CG2 3.57Å; W346-V528 HydrophobicContact CH2-CB 4.07Å; W346-V528 HydrophobicContact CH2-CG2 4.08Å; W346-V528 VanDerWaalsContact CZ2-O 3.27Å; W346-V528 WeakPolarHBondContact CZ2-O 3.29Å; W346-A529 HydrophobicContact CH2-CB 3.95Å; W346-A529 HydrophobicContact CZ2-CB 4.13Å
347	T	93.2	Very high	83.7	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-70.8	167	177	64	0	0	0	0	111.1	H345 L349 G378 T450 M451	H345-T347 VanDerWaalsContact CD2-CG2 3.46Å; H345-T347 WeakPolarHBondContact CD2-CG2 3.39Å; H345-T347 WeakPolarHBondContact NE2-CG2 3.38Å; T347-L349 PolarHBondContact O-N 2.95Å; T347-L349 VanDerWaalsContact O-N 3.14Å; T347-G378 VanDerWaalsContact CG2-CA 3.45Å; T347-T450 PolarHBondContact N-OG1 2.85Å; T347-T450 PolarHBondContact O-OG1 2.75Å; T347-T450 PolarHBondContact OG1-OG1 2.86Å; T347-M451 HydrophobicContact CG2-CB 3.7Å; T347-M451 HydrophobicContact CG2-CE 3.63Å; T347-M451 HydrophobicContact CG2-CG 4.44Å; T347-M451 HydrophobicContact CG2-SD 4.26Å; T347-M451 PolarHBondContact N-O 2.82Å; T347-M451 WeakPolarHBondContact OG1-CB 3.26Å; T347-M451 PolarHBondContact OG1-N 2.8Å
348	N	92.2	Very high	83.1	Confident	58 Å²	58	36.9 Å²	36.9	31%	0.31	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-48	124.5	172.2	-65.9	-21.5	0	0	0	110.1	I350 T380 A420 G422	N348-I350 PolarHBondContact O-N 3Å; N348-T380 HydrophobicContact CB-CG2 3.86Å; N348-A420 CarbonylContact C-O 3.53Å; N348-A420 WeakPolarHBondContact CA-O 3.23Å; N348-G422 PolarHBondContact OD1-N 3.01Å
349	L	93.3	Very high	82.8	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.3	174.3	-77.4	68.1	0	0	0	107.8	F323 T347 S419 A420 F448 T450	F323-L349 HydrophobicContact CB-CD2 3.6Å; F323-L349 HydrophobicContact CD2-CD2 4.12Å; F323-L349 HydrophobicContact CG-CD2 3.87Å; T347-L349 PolarHBondContact O-N 2.95Å; T347-L349 VanDerWaalsContact O-N 3.14Å; L349-S419 WeakPolarHBondContact O-CA 3.43Å; L349-A420 HydrophobicContact CB-CB 4.12Å; L349-A420 HydrophobicContact CD2-CB 4.4Å; L349-A420 PolarHBondContact N-O 3.31Å; L349-A420 PolarHBondContact O-N 3.41Å; L349-F448 HydrophobicContact CD2-CD2 4.22Å; L349-F448 HydrophobicContact CD2-CE2 4.04Å; L349-F448 HydrophobicContact CG-CD2 4.35Å; L349-F448 HydrophobicContact CG-CE2 4.4Å; L349-T450 HydrophobicContact CD1-CG2 4.39Å; L349-T450 HydrophobicContact CG-CG2 4.3Å
350	I	92.8	Very high	83.2	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136	179.6	-171.5	61.2	0	0	0	110.8	N348 V374 T380 M383 K384 L387 L417 V418 F448 L449	N348-I350 PolarHBondContact O-N 3Å; I350-V374 HydrophobicContact CG2-CG1 4.34Å; I350-V374 HydrophobicContact CG2-CG2 3.86Å; I350-T380 HydrophobicContact CB-CG2 4.01Å; I350-T380 HydrophobicContact CG2-CG2 3.89Å; I350-M383 HydrophobicContact CG1-CB 4.17Å; I350-M383 HydrophobicContact CG1-CG 3.76Å; I350-M383 HydrophobicContact CG2-CB 4.4Å; I350-M383 HydrophobicContact CG2-CG 3.94Å; I350-K384 HydrophobicContact CD1-CD 4.43Å; I350-K384 HydrophobicContact CD1-CG 3.56Å; I350-K384 HydrophobicContact CG1-CG 4.31Å; I350-L387 HydrophobicContact CD1-CD1 4.14Å; I350-L387 HydrophobicContact CG1-CD1 4.09Å; I350-L417 HydrophobicContact CD1-CD1 4.28Å; I350-L417 HydrophobicContact CD1-CD2 4.48Å; I350-V418 CarbonylContact C-O 3.53Å; I350-V418 WeakPolarHBondContact CA-O 3.46Å; I350-F448 CarbonylContact O-C 3.49Å; I350-F448 VanDerWaalsContact O-CA 3.26Å; I350-F448 WeakPolarHBondContact O-CA 3.34Å; I350-F448 WeakPolarHBondContact O-CB 3.27Å; I350-L449 HydrophobicContact CG2-CD2 4.21Å; I350-L449 HydrophobicContact CG2-CG 4.13Å; I350-L449 PolarHBondContact N-O 2.89Å; I350-L449 PolarHBondContact O-N 2.92Å
351	G	92.6	Very high	83.7	Confident	0 Å²	0	24 Å²	24	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-168.1	-175.9	0	0	0	0	0	112.7	L417 V418 S447	G351-L417 VanDerWaalsContact O-CD1 3.24Å; G351-L417 WeakPolarHBondContact O-CD1 3.27Å; G351-V418 PolarHBondContact N-O 3.46Å; G351-V418 PolarHBondContact O-N 2.98Å; G351-S447 CarbonylContact C-O 3.49Å; G351-S447 WeakPolarHBondContact CA-O 3.13Å
352	A	90.3	Very high	83.8	Confident	1 Å²	1	23 Å²	23	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	160.4	174	0	0	0	0	0	112.1	H354 I360 L387 L414 S416 S447	A352-H354 PolarHBondContact O-CD2 3.11Å; A352-I360 HydrophobicContact CB-CD1 4.26Å; A352-L387 HydrophobicContact CB-CD2 4.35Å; A352-L414 HydrophobicContact CB-CD1 4.3Å; A352-L414 HydrophobicContact CB-CD2 3.78Å; A352-S416 CarbonylContact C-O 3.47Å; A352-S416 WeakPolarHBondContact CA-O 3.49Å; A352-S416 WeakPolarHBondContact CB-O 3.5Å; A352-S447 PolarHBondContact N-O 3.41Å; A352-S447 PolarHBondContact O-N 3.45Å
353	S	88.6	Confident	83.7	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137	149.9	64.3	0	0	0	0	110.4	L415 S416 S438 L445	S353-L415 PolarHBondContact O-N 3.14Å; S353-S416 PolarHBondContact N-O 2.74Å; S353-S416 VanDerWaalsContact OG-CB 3.25Å; S353-S416 WeakPolarHBondContact OG-CB 3.5Å; S353-S416 PolarHBondContact OG-N 3.5Å; S353-S438 WeakPolarHBondContact CB-O 3.49Å; S353-S438 PolarHBondContact OG-O 3.24Å; S353-L445 CarbonylContact C-O 3.55Å; S353-L445 WeakPolarHBondContact CA-O 3.27Å; S353-L445 WeakPolarHBondContact CB-O 3.36Å
354	H	80.9	Confident	83.1	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164	-166.4	64	88.1	0	0	0	113.3	A352 F358 P413 L414 H443 L445 S447	A352-H354 PolarHBondContact O-CD2 3.11Å; H354-F358 HydrophobicContact CB-CB 4.33Å; H354-F358 HydrophobicContact CB-CD1 3.92Å; H354-F358 PolarHBondContact CE1-O 3.01Å; H354-F358 PolarHBondContact ND1-O 3.38Å; H354-P413 CarbonylContact C-O 3.36Å; H354-P413 VanDerWaalsContact CA-O 3.3Å; H354-P413 WeakPolarHBondContact CA-O 3.15Å; H354-P413 WeakPolarHBondContact CB-O 3.21Å; H354-L414 HydrophobicContact CB-CD2 3.46Å; H354-L414 VanDerWaalsContact CB-CD2 3.46Å; H354-H443 CarbonylContact O-C 3.47Å; H354-H443 VanDerWaalsContact O-CA 3.29Å; H354-H443 WeakPolarHBondContact O-CA 3.3Å; H354-L445 PolarHBondContact N-O 3.27Å; H354-S447 WeakPolarHBondContact NE2-CB 3.48Å; H354-S447 PolarHBondContact NE2-OG 2.86Å
355	S	75.2	Confident	82.1	Confident	9 Å²	9	25.9 Å²	25.9	6%	0.063	15%	0.152	C	C	.	.			trans	-72.5	166.1	174.9	71.8	0	0	0	0	111.6	S357 F358 P413 T442 H443	S355-S357 PolarHBondContact O-N 2.88Å; S355-S357 PolarHBondContact OG-OG 2.83Å; S355-F358 PolarHBondContact O-N 3.49Å; S355-P413 PolarHBondContact N-O 3.1Å; S355-P413 WeakPolarHBondContact OG-CB 3.4Å; S355-P413 PolarHBondContact OG-O 2.86Å; S355-T442 WeakPolarHBondContact CA-O 3.43Å; S355-H443 PolarHBondContact N-CD2 2.83Å; S355-H443 VanDerWaalsContact N-CD2 3.34Å
356	P	67.4	Low	81.3	Confident	34 Å²	34	29 Å²	29	22%	0.221	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.7	176	-19.8	35.1	0	0	0	112.9	P308 Q309 F358	P308-P356 HydrophobicContact CB-CB 3.73Å; P308-P356 HydrophobicContact CB-CG 3.66Å; P308-P356 HydrophobicContact CG-CB 4.48Å; P308-P356 WeakPolarHBondContact O-CG 3.02Å; Q309-P356 HydrophobicContact CB-CG 4.44Å; Q309-P356 HydrophobicContact CG-CB 3.8Å; Q309-P356 HydrophobicContact CG-CG 3.82Å; P356-F358 VanDerWaalsContact C-N 3.26Å; P356-F358 PolarHBondContact O-N 3.38Å
357	S	63.4	Low	80.6	Confident	102 Å²	102	29.6 Å²	29.6	71%	0.713	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3	-178.2	49	0	0	0	0	113.7	S355	S355-S357 PolarHBondContact O-N 2.88Å; S355-S357 PolarHBondContact OG-OG 2.83Å
358	F	72.1	Confident	80.1	Confident	44 Å²	44	32.1 Å²	32.1	19%	0.193	20%	0.196	C	C	.	.			trans	-122.7	144	-179.2	-169.5	-99.8	0	0	0	111.4	H354 S355 P356 I360 L387 A390 P413 L414	H354-F358 HydrophobicContact CB-CB 4.33Å; H354-F358 HydrophobicContact CB-CD1 3.92Å; H354-F358 PolarHBondContact CE1-O 3.01Å; H354-F358 PolarHBondContact ND1-O 3.38Å; S355-F358 PolarHBondContact O-N 3.49Å; P356-F358 VanDerWaalsContact C-N 3.26Å; P356-F358 PolarHBondContact O-N 3.38Å; F358-I360 HydrophobicContact CD1-CG1 4.46Å; F358-I360 HydrophobicContact CE1-CG1 3.91Å; F358-L387 HydrophobicContact CE1-CD2 3.82Å; F358-L387 HydrophobicContact CZ-CD2 4.04Å; F358-A390 HydrophobicContact CD2-CB 4.22Å; F358-A390 HydrophobicContact CE2-CB 3.45Å; F358-A390 VanDerWaalsContact CE2-CB 3.45Å; F358-A390 HydrophobicContact CZ-CB 3.65Å; F358-P413 HydrophobicContact CB-CB 3.74Å; F358-P413 HydrophobicContact CD2-CB 4.15Å; F358-P413 HydrophobicContact CD2-CG 4.27Å; F358-P413 HydrophobicContact CG-CB 4.08Å; F358-L414 HydrophobicContact CD1-CD2 3.54Å; F358-L414 HydrophobicContact CE1-CD2 3.63Å; F358-L414 HydrophobicContact CE1-CG 4.48Å; F358-L414 HydrophobicContact CG-CD2 4.26Å; F358-L414 HydrophobicContact CZ-CD2 4.43Å
359	Q	74.6	Confident	79.6	Confident	63 Å²	63	32.7 Å²	32.7	29%	0.294	21%	0.209	S	C	.	.			trans	-140.3	130.6	180	-60.1	-178.8	30	0	0	108.3
360	I	84	Confident	79.2	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.036	21%	0.209	C	C	.	.	S	Bend	trans	-80.3	-47.2	177.5	-62.6	-167.5	0	0	0	110.1	A352 F358 V371 M383 L387 L449	A352-I360 HydrophobicContact CB-CD1 4.26Å; F358-I360 HydrophobicContact CD1-CG1 4.46Å; F358-I360 HydrophobicContact CE1-CG1 3.91Å; I360-V371 VanDerWaalsContact O-CG2 3.32Å; I360-V371 WeakPolarHBondContact O-CG2 3.24Å; I360-M383 HydrophobicContact CG2-CE 3.76Å; I360-M383 HydrophobicContact CG2-SD 4.2Å; I360-L387 HydrophobicContact CD1-CD2 3.95Å; I360-L387 HydrophobicContact CG1-CD2 4.21Å; I360-L449 HydrophobicContact CG2-CD2 3.68Å
361	Y	83.2	Confident	79.1	Confident	12 Å²	12	32.7 Å²	32.7	5%	0.047	21%	0.209	C	C	.	.			trans	-155.9	166.6	173.4	70.9	-82.4	0	0	0	108.3	M363 F448 L449 G461 I462 S463 W485 I509	Y361-M363 HydrophobicContact CE2-CE 4.2Å; Y361-F448 PolarHBondContact OH-O 2.91Å; Y361-L449 HydrophobicContact CD1-CD2 4.21Å; Y361-L449 HydrophobicContact CE1-CB 4.19Å; Y361-L449 HydrophobicContact CE1-CD2 4.39Å; Y361-G461 PolarHBondContact OH-O 2.91Å; Y361-I462 WeakPolarHBondContact CE1-O 3.3Å; Y361-I462 WeakPolarHBondContact OH-CA 3.44Å; Y361-I462 PolarHBondContact OH-N 2.8Å; Y361-I462 VanDerWaalsContact OH-N 3.07Å; Y361-I462 PolarHBondContact OH-O 2.97Å; Y361-S463 PolarHBondContact O-OG 3.46Å; Y361-S463 VanDerWaalsContact O-OG 3.14Å; Y361-W485 HydrophobicContact CD2-CH2 4.06Å; Y361-W485 AromaticContact CD2-CZ2 3.92Å; Y361-W485 HydrophobicContact CD2-CZ2 3.92Å; Y361-W485 HydrophobicContact CE1-CZ2 4.18Å; Y361-W485 AromaticContact CE2-CE2 3.73Å; Y361-W485 HydrophobicContact CE2-CH2 4.07Å; Y361-W485 AromaticContact CE2-CZ2 3.45Å; Y361-W485 HydrophobicContact CE2-CZ2 3.45Å; Y361-W485 VanDerWaalsContact CE2-CZ2 3.45Å; Y361-W485 HydrophobicContact CG-CH2 4.39Å; Y361-W485 HydrophobicContact CG-CZ2 4.45Å; Y361-W485 AromaticContact CZ-CZ2 3.58Å; Y361-I509 HydrophobicContact CD2-CD1 4.37Å
362	R	78.2	Confident	78.8	Confident	34 Å²	34	35.2 Å²	35.2	13%	0.128	22%	0.221	C	C	.	.			trans	-150.7	143.2	174.2	-165.7	-163.9	178.9	-178.4	-1.4	110.7	P273 Y275 G364 E365	P273-R362 PolarHBondContact O-NH2 2.84Å; Y275-R362 VanDerWaalsContact CZ-NH1 3.31Å; Y275-R362 PolarHBondContact OH-NH1 3.14Å; R362-G364 PolarHBondContact O-N 2.7Å; R362-E365 HydrophobicContact CB-CB 4.39Å; R362-E365 HydrophobicContact CB-CG 4.32Å; R362-E365 WeakPolarHBondContact CD-OE1 3.2Å; R362-E365 IonicContact CZ-OE1 3.62Å; R362-E365 IonicContact NE-OE1 2.74Å; R362-E365 IonicContact NH1-OE1 2.82Å; R362-E365 PolarHBondContact NH1-OE1 2.94Å; R362-E365 PolarHBondContact O-N 2.82Å
363	M	76	Confident	78.7	Confident	45 Å²	45	35.7 Å²	35.7	22%	0.222	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.4	169.9	-62.6	-63.4	162.6	0	0	110.1	Y361 W485 I509 F511	Y361-M363 HydrophobicContact CE2-CE 4.2Å; M363-W485 HydrophobicContact CE-CB 3.77Å; M363-W485 HydrophobicContact CE-CD2 4.11Å; M363-W485 HydrophobicContact CE-CG 3.54Å; M363-W485 HydrophobicContact SD-CB 4.41Å; M363-I509 HydrophobicContact CE-CG2 4.27Å; M363-I509 HydrophobicContact SD-CG2 3.78Å; M363-F511 HydrophobicContact CE-CD1 4.25Å; M363-F511 HydrophobicContact CE-CD2 4.33Å; M363-F511 HydrophobicContact CE-CE1 3.8Å; M363-F511 HydrophobicContact CE-CE2 3.89Å; M363-F511 HydrophobicContact CE-CZ 3.61Å; M363-F511 HydrophobicContact CG-CD2 4.45Å; M363-F511 HydrophobicContact CG-CE2 3.94Å; M363-F511 HydrophobicContact CG-CZ 4.45Å; M363-F511 HydrophobicContact SD-CD2 4.05Å; M363-F511 HydrophobicContact SD-CE2 3.95Å; M363-F511 HydrophobicContact SD-CG 4.5Å; M363-F511 HydrophobicContact SD-CZ 4.3Å
364	G	68.5	Low	78.8	Confident	56 Å²	56	35.7 Å²	35.7	58%	0.577	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	1.9	-176.7	0	0	0	0	0	115.3	R362 I509	R362-G364 PolarHBondContact O-N 2.7Å; G364-I509 PolarHBondContact N-O 3.17Å
365	E	71.5	Confident	79.4	Confident	57 Å²	57	35.7 Å²	35.7	27%	0.266	23%	0.225	S	C	.	.	S	Bend	trans	-114.3	153.3	173.1	-68.2	-176.4	-152.4	0	0	111.3	Y275 R362 I509	Y275-E365 PolarHBondContact OH-OE1 2.67Å; R362-E365 HydrophobicContact CB-CB 4.39Å; R362-E365 HydrophobicContact CB-CG 4.32Å; R362-E365 WeakPolarHBondContact CD-OE1 3.2Å; R362-E365 IonicContact CZ-OE1 3.62Å; R362-E365 IonicContact NE-OE1 2.74Å; R362-E365 IonicContact NH1-OE1 2.82Å; R362-E365 PolarHBondContact NH1-OE1 2.94Å; R362-E365 PolarHBondContact O-N 2.82Å; E365-I509 VanDerWaalsContact O-CG1 3.31Å; E365-I509 WeakPolarHBondContact O-CG1 3.24Å; E365-I509 PolarHBondContact O-N 3.44Å
366	P	74.7	Confident	80.1	Confident	84 Å²	84	35.6 Å²	35.6	55%	0.545	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-64	144.7	173.6	-18.9	32	0	0	0	111.8	S368	P366-S368 PolarHBondContact O-N 2.8Å
367	A	80	Confident	81	Confident	12 Å²	12	40.6 Å²	40.6	10%	0.099	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.7	134.4	174.5	0	0	0	0	0	112.1	V371 Q372 A487 I509	A367-V371 HydrophobicContact CB-CB 4.14Å; A367-V371 HydrophobicContact CB-CG1 3.83Å; A367-Q372 HydrophobicContact CB-CB 4.43Å; A367-A487 HydrophobicContact CB-CB 4.35Å; A367-A487 WeakPolarHBondContact CB-O 3.16Å; A367-I509 HydrophobicContact CB-CD1 4.11Å; A367-I509 HydrophobicContact CB-CG1 4.18Å
368	S	83.8	Confident	82.1	Confident	55 Å²	55	36.5 Å²	36.5	39%	0.385	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-67.3	159.1	168.1	71.9	0	0	0	0	110.5	P366 G370 V371 Q372	P366-S368 PolarHBondContact O-N 2.8Å; S368-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact O-N 3.1Å; S368-V371 PolarHBondContact O-N 3.32Å; S368-V371 WeakPolarHBondContact OG-CG2 3.37Å; S368-V371 PolarHBondContact OG-N 2.8Å; S368-Q372 WeakPolarHBondContact O-CB 3.5Å; S368-Q372 PolarHBondContact O-N 2.99Å
369	A	80.6	Confident	82.7	Confident	70 Å²	70	37.4 Å²	37.4	58%	0.579	22%	0.22	S	C	*	.	H	α-helix	trans	-55.1	-32.7	178.9	0	0	0	0	0	113.2	A373 V382	A369-A373 VanDerWaalsContact O-CB 3.28Å; A369-A373 WeakPolarHBondContact O-CB 3.15Å; A369-A373 PolarHBondContact O-N 2.85Å; A369-V382 HydrophobicContact CB-CG1 4.47Å
370	G	84.7	Confident	83.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-43.6	173.8	0	0	0	0	0	113.2	S368 A373 V374	S368-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact O-N 3.1Å; G370-A373 PolarHBondContact O-N 2.96Å; G370-V374 WeakPolarHBondContact O-CG2 3.38Å; G370-V374 PolarHBondContact O-N 3.29Å; G370-V374 VanDerWaalsContact O-N 3.16Å
371	V	90.1	Very high	83.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-42.8	176.8	173	0	0	0	0	110.7	I360 A367 S368 V374 C375 M383 L449 W485 I509	I360-V371 VanDerWaalsContact O-CG2 3.32Å; I360-V371 WeakPolarHBondContact O-CG2 3.24Å; A367-V371 HydrophobicContact CB-CB 4.14Å; A367-V371 HydrophobicContact CB-CG1 3.83Å; S368-V371 PolarHBondContact O-N 3.32Å; S368-V371 WeakPolarHBondContact OG-CG2 3.37Å; S368-V371 PolarHBondContact OG-N 2.8Å; V371-V374 PolarHBondContact O-N 2.8Å; V371-C375 WeakPolarHBondContact O-CB 3.33Å; V371-C375 PolarHBondContact O-N 3.46Å; V371-C375 PolarHBondContact O-SG 2.89Å; V371-M383 HydrophobicContact CG2-SD 4.11Å; V371-L449 HydrophobicContact CB-CD1 4.49Å; V371-L449 HydrophobicContact CG1-CD1 4.12Å; V371-L449 HydrophobicContact CG2-CD1 4.44Å; V371-W485 HydrophobicContact CG1-CH2 4.1Å; V371-W485 HydrophobicContact CG1-CZ3 4.3Å; V371-I509 HydrophobicContact CG1-CD1 4.33Å
372	Q	88.2	Confident	83	Confident	53 Å²	53	38.9 Å²	38.9	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-47.6	174.5	-178.7	172	18.3	0	0	111.2	A367 S368 V374 C375 T376 A489	A367-Q372 HydrophobicContact CB-CB 4.43Å; S368-Q372 WeakPolarHBondContact O-CB 3.5Å; S368-Q372 PolarHBondContact O-N 2.99Å; Q372-V374 VanDerWaalsContact C-N 3.34Å; Q372-V374 PolarHBondContact O-N 3.24Å; Q372-C375 PolarHBondContact O-N 2.74Å; Q372-T376 HydrophobicContact CG-CG2 4.31Å; Q372-T376 WeakPolarHBondContact O-CB 3.2Å; Q372-T376 PolarHBondContact O-N 2.89Å; Q372-T376 PolarHBondContact O-OG1 2.96Å; Q372-A489 HydrophobicContact CG-CB 3.69Å
373	A	86.5	Confident	83.3	Confident	12 Å²	12	37.5 Å²	37.5	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-43.4	178.5	0	0	0	0	0	112.6	A369 G370 Y377 G378 D379 V382	A369-A373 VanDerWaalsContact O-CB 3.28Å; A369-A373 WeakPolarHBondContact O-CB 3.15Å; A369-A373 PolarHBondContact O-N 2.85Å; G370-A373 PolarHBondContact O-N 2.96Å; A373-Y377 PolarHBondContact O-N 3.34Å; A373-Y377 VanDerWaalsContact O-N 3.13Å; A373-G378 PolarHBondContact O-N 2.96Å; A373-D379 CarbonylContact C-O 3.51Å; A373-D379 PolarHBondContact O-N 2.94Å; A373-V382 HydrophobicContact CB-CB 4.09Å; A373-V382 HydrophobicContact CB-CG2 4.08Å
374	V	92.2	Very high	83.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-52.6	175.6	175.7	0	0	0	0	110.7	I350 G370 V371 Q372 T376 G378 D379 T380 M383 L449 M451	I350-V374 HydrophobicContact CG2-CG1 4.34Å; I350-V374 HydrophobicContact CG2-CG2 3.86Å; G370-V374 WeakPolarHBondContact O-CG2 3.38Å; G370-V374 PolarHBondContact O-N 3.29Å; G370-V374 VanDerWaalsContact O-N 3.16Å; V371-V374 PolarHBondContact O-N 2.8Å; Q372-V374 VanDerWaalsContact C-N 3.34Å; Q372-V374 PolarHBondContact O-N 3.24Å; V374-T376 PolarHBondContact O-N 3Å; V374-G378 WeakPolarHBondContact O-CA 3.14Å; V374-G378 PolarHBondContact O-N 3.47Å; V374-D379 WeakPolarHBondContact CG2-O 3.28Å; V374-D379 PolarHBondContact N-O 3.06Å; V374-T380 HydrophobicContact CG2-CG2 4.16Å; V374-M383 HydrophobicContact CG2-CB 3.88Å; V374-M383 HydrophobicContact CG2-CG 4.34Å; V374-L449 HydrophobicContact CB-CD1 3.83Å; V374-L449 HydrophobicContact CG1-CD1 3.65Å; V374-L449 HydrophobicContact CG1-CG 4.18Å; V374-L449 HydrophobicContact CG2-CD1 4.38Å; V374-M451 WeakPolarHBondContact O-CB 3.34Å
375	C	93.8	Very high	84	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-76.5	-18.5	-171.1	-57.4	0	0	0	0	114.6	V371 Q372 M451 N457 C459 A487	V371-C375 WeakPolarHBondContact O-CB 3.33Å; V371-C375 PolarHBondContact O-N 3.46Å; V371-C375 PolarHBondContact O-SG 2.89Å; Q372-C375 PolarHBondContact O-N 2.74Å; C375-M451 WeakPolarHBondContact O-CG 3.26Å; C375-M451 VanDerWaalsContact O-SD 3.35Å; C375-N457 CarbonylContact O-C 3.51Å; C375-N457 VanDerWaalsContact O-C 3.27Å; C375-N457 WeakPolarHBondContact O-CA 3.41Å; C375-C459 WeakPolarHBondContact CA-SG 3.21Å; C375-C459 HydrophobicContact CB-CB 4.06Å; C375-C459 WeakPolarHBondContact CB-SG 3.48Å; C375-C459 WeakPolarHBondContact SG-CB 3.45Å; C375-C459 CovalentContact SG-SG 2.04Å; C375-C459 PolarHBondContact SG-SG 2.96Å; C375-A487 HydrophobicContact CB-CB 3.65Å
376	T	88.5	Confident	84.4	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-106.7	-20.7	-178.9	58.1	0	0	0	0	115	Q372 V374 N457 A489 R490	Q372-T376 HydrophobicContact CG-CG2 4.31Å; Q372-T376 WeakPolarHBondContact O-CB 3.2Å; Q372-T376 PolarHBondContact O-N 2.89Å; Q372-T376 PolarHBondContact O-OG1 2.96Å; V374-T376 PolarHBondContact O-N 3Å; T376-N457 HydrophobicContact CG2-CB 3.73Å; T376-A489 HydrophobicContact CG2-CB 3.62Å; T376-R490 HydrophobicContact CG2-CG 4.28Å; T376-R490 PolarHBondContact O-NH1 2.75Å
377	Y	85.7	Confident	84.6	Confident	138 Å²	138	34.7 Å²	34.7	54%	0.541	20%	0.198	S	C	.	.	H	α-helix	trans	-132.8	-6.7	-178.2	-54	-80.5	0	0	0	113.7	A373 D379 R490	A373-Y377 PolarHBondContact O-N 3.34Å; A373-Y377 VanDerWaalsContact O-N 3.13Å; Y377-D379 PolarHBondContact O-N 2.94Å; Y377-R490 PolarHBondContact OH-NH2 2.89Å; Y377-R490 VanDerWaalsContact OH-NH2 3.13Å
378	G	87.3	Confident	84.3	Confident	16 Å²	16	34.4 Å²	34.4	17%	0.165	20%	0.197	C	C	.	.			trans	69.2	9.5	-168.6	0	0	0	0	0	114.8	T347 A373 V374 T380 M451	T347-G378 VanDerWaalsContact CG2-CA 3.45Å; A373-G378 PolarHBondContact O-N 2.96Å; V374-G378 WeakPolarHBondContact O-CA 3.14Å; V374-G378 PolarHBondContact O-N 3.47Å; G378-T380 PolarHBondContact O-N 2.78Å; G378-M451 PolarHBondContact N-SD 3.14Å; G378-M451 VanDerWaalsContact N-SD 3.39Å
379	D	85.2	Confident	83.5	Confident	64 Å²	64	36.3 Å²	36.3	34%	0.342	20%	0.202	S	C	.	.			trans	-84.1	108.8	-174.9	-171.1	-0.8	0	0	0	111.5	A373 V374 Y377 T381	A373-D379 CarbonylContact C-O 3.51Å; A373-D379 PolarHBondContact O-N 2.94Å; V374-D379 WeakPolarHBondContact CG2-O 3.28Å; V374-D379 PolarHBondContact N-O 3.06Å; Y377-D379 PolarHBondContact O-N 2.94Å; D379-T381 VanDerWaalsContact OD1-CB 3.27Å; D379-T381 WeakPolarHBondContact OD1-CB 3.24Å; D379-T381 WeakPolarHBondContact OD1-CG2 3.36Å; D379-T381 PolarHBondContact OD1-N 3.07Å; D379-T381 PolarHBondContact OD1-OG1 2.95Å; D379-T381 PolarHBondContact OD2-OG1 3.03Å
380	T	87.7	Confident	82.8	Confident	8 Å²	8	33.3 Å²	33.3	5%	0.049	18%	0.177	C	C	.	.			trans	-83.3	-3.9	176.4	59.9	0	0	0	0	114.3	N348 I350 V374 G378 M383 K384	N348-T380 HydrophobicContact CB-CG2 3.86Å; I350-T380 HydrophobicContact CB-CG2 4.01Å; I350-T380 HydrophobicContact CG2-CG2 3.89Å; V374-T380 HydrophobicContact CG2-CG2 4.16Å; G378-T380 PolarHBondContact O-N 2.78Å; T380-M383 PolarHBondContact O-N 3.05Å; T380-K384 WeakPolarHBondContact O-CB 3.47Å; T380-K384 VanDerWaalsContact O-CG 3.28Å; T380-K384 WeakPolarHBondContact O-CG 3.48Å; T380-K384 PolarHBondContact O-N 2.93Å
381	T	80.5	Confident	82	Confident	58 Å²	58	34 Å²	34	36%	0.356	18%	0.182	S	C	.	.	H	α-helix	trans	-63.4	-49.8	-174.2	60.3	0	0	0	0	112.7	D379 M383 K384 Q385	D379-T381 VanDerWaalsContact OD1-CB 3.27Å; D379-T381 WeakPolarHBondContact OD1-CB 3.24Å; D379-T381 WeakPolarHBondContact OD1-CG2 3.36Å; D379-T381 PolarHBondContact OD1-N 3.07Å; D379-T381 PolarHBondContact OD1-OG1 2.95Å; D379-T381 PolarHBondContact OD2-OG1 3.03Å; T381-M383 VanDerWaalsContact C-N 3.3Å; T381-M383 PolarHBondContact O-N 3.46Å; T381-K384 PolarHBondContact O-N 3.13Å; T381-Q385 WeakPolarHBondContact O-CG 3.14Å; T381-Q385 PolarHBondContact O-N 3.19Å
382	V	78.9	Confident	80.3	Confident	46 Å²	46	36.3 Å²	36.3	28%	0.279	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-39.5	178.1	-175.3	0	0	0	0	110.9	A369 A373 S386	A369-V382 HydrophobicContact CB-CG1 4.47Å; A373-V382 HydrophobicContact CB-CB 4.09Å; A373-V382 HydrophobicContact CB-CG2 4.08Å; V382-S386 WeakPolarHBondContact O-CB 3.43Å; V382-S386 PolarHBondContact O-N 3.28Å; V382-S386 PolarHBondContact O-OG 3.43Å
383	M	85.4	Confident	78.6	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-44.5	176.7	-166	68.6	-120.6	0	0	111.7	I350 I360 V371 V374 T380 T381 Q385 S386 L387	I350-M383 HydrophobicContact CG1-CB 4.17Å; I350-M383 HydrophobicContact CG1-CG 3.76Å; I350-M383 HydrophobicContact CG2-CB 4.4Å; I350-M383 HydrophobicContact CG2-CG 3.94Å; I360-M383 HydrophobicContact CG2-CE 3.76Å; I360-M383 HydrophobicContact CG2-SD 4.2Å; V371-M383 HydrophobicContact CG2-SD 4.11Å; V374-M383 HydrophobicContact CG2-CB 3.88Å; V374-M383 HydrophobicContact CG2-CG 4.34Å; T380-M383 PolarHBondContact O-N 3.05Å; T381-M383 VanDerWaalsContact C-N 3.3Å; T381-M383 PolarHBondContact O-N 3.46Å; M383-Q385 PolarHBondContact O-N 3.43Å; M383-S386 PolarHBondContact O-N 3.42Å; M383-L387 HydrophobicContact CE-CD1 4.03Å; M383-L387 HydrophobicContact CE-CD2 3.85Å; M383-L387 HydrophobicContact CE-CG 3.66Å; M383-L387 HydrophobicContact CG-CD1 4.29Å; M383-L387 WeakPolarHBondContact O-CG 3.4Å; M383-L387 PolarHBondContact O-N 3.09Å
384	K	82.7	Confident	76.6	Confident	53 Å²	53	42.3 Å²	42.3	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-41.5	175.4	-78.1	174.1	179.5	-179.5	0	112.2	I350 T380 T381 G388 M627	I350-K384 HydrophobicContact CD1-CD 4.43Å; I350-K384 HydrophobicContact CD1-CG 3.56Å; I350-K384 HydrophobicContact CG1-CG 4.31Å; T380-K384 WeakPolarHBondContact O-CB 3.47Å; T380-K384 VanDerWaalsContact O-CG 3.28Å; T380-K384 WeakPolarHBondContact O-CG 3.48Å; T380-K384 PolarHBondContact O-N 2.93Å; T381-K384 PolarHBondContact O-N 3.13Å; K384-G388 PolarHBondContact O-N 2.71Å; K384-M627 HydrophobicContact CB-CE 4.15Å
385	Q	75.8	Confident	73.7	Confident	81 Å²	81	45.8 Å²	45.8	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-45.2	173.6	-73.7	174.6	-20.1	0	0	111.5	T381 M383 L387 G388 I389	T381-Q385 WeakPolarHBondContact O-CG 3.14Å; T381-Q385 PolarHBondContact O-N 3.19Å; M383-Q385 PolarHBondContact O-N 3.43Å; Q385-L387 PolarHBondContact O-N 3.31Å; Q385-G388 PolarHBondContact O-N 3.41Å; Q385-I389 VanDerWaalsContact O-CG1 3.29Å; Q385-I389 WeakPolarHBondContact O-CG1 3.31Å; Q385-I389 PolarHBondContact O-N 2.96Å
386	S	79.4	Confident	70.5	Confident	47 Å²	47	51.7 Å²	51.7	33%	0.329	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-42.3	178.4	-58.3	0	0	0	0	112.1	V382 M383 A390	V382-S386 WeakPolarHBondContact O-CB 3.43Å; V382-S386 PolarHBondContact O-N 3.28Å; V382-S386 PolarHBondContact O-OG 3.43Å; M383-S386 PolarHBondContact O-N 3.42Å; S386-A390 WeakPolarHBondContact O-CB 3.19Å; S386-A390 PolarHBondContact O-N 2.89Å
387	L	80.6	Confident	67.7	Low	2 Å²	2	57 Å²	57	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-68.9	-40	174.7	-66.3	171.3	0	0	0	111.8	I350 A352 F358 I360 M383 Q385 A390 A391 L414 L417	I350-L387 HydrophobicContact CD1-CD1 4.14Å; I350-L387 HydrophobicContact CG1-CD1 4.09Å; A352-L387 HydrophobicContact CB-CD2 4.35Å; F358-L387 HydrophobicContact CE1-CD2 3.82Å; F358-L387 HydrophobicContact CZ-CD2 4.04Å; I360-L387 HydrophobicContact CD1-CD2 3.95Å; I360-L387 HydrophobicContact CG1-CD2 4.21Å; M383-L387 HydrophobicContact CE-CD1 4.03Å; M383-L387 HydrophobicContact CE-CD2 3.85Å; M383-L387 HydrophobicContact CE-CG 3.66Å; M383-L387 HydrophobicContact CG-CD1 4.29Å; M383-L387 WeakPolarHBondContact O-CG 3.4Å; M383-L387 PolarHBondContact O-N 3.09Å; Q385-L387 PolarHBondContact O-N 3.31Å; L387-A390 PolarHBondContact O-N 3.09Å; L387-A391 PolarHBondContact O-N 3.38Å; L387-L414 HydrophobicContact CB-CD1 3.93Å; L387-L414 HydrophobicContact CD2-CD1 3.78Å; L387-L414 HydrophobicContact CD2-CD2 4.46Å; L387-L414 HydrophobicContact CG-CD1 4.47Å; L387-L414 WeakPolarHBondContact O-CD1 3.42Å; L387-L417 HydrophobicContact CB-CD1 4.09Å; L387-L417 HydrophobicContact CD1-CD1 3.65Å; L387-L417 HydrophobicContact CG-CD1 4.48Å
388	G	71.9	Confident	64.9	Low	6 Å²	6	54.6 Å²	54.6	6%	0.062	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-47.6	173.6	0	0	0	0	0	112.4	K384 Q385 A390 A391 T392	K384-G388 PolarHBondContact O-N 2.71Å; Q385-G388 PolarHBondContact O-N 3.41Å; G388-A390 VanDerWaalsContact C-N 3.34Å; G388-A390 PolarHBondContact O-N 3.48Å; G388-A391 PolarHBondContact O-N 3.44Å; G388-T392 WeakPolarHBondContact O-CG2 3.38Å; G388-T392 PolarHBondContact O-N 2.77Å; G388-T392 PolarHBondContact O-OG1 2.93Å
389	I	67	Low	61.9	Low	96 Å²	96	57.4 Å²	57.4	49%	0.492	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-45	175.3	-67.5	162.9	0	0	0	110.6	Q385 A391 T392 N393	Q385-I389 VanDerWaalsContact O-CG1 3.29Å; Q385-I389 WeakPolarHBondContact O-CG1 3.31Å; Q385-I389 PolarHBondContact O-N 2.96Å; I389-A391 PolarHBondContact O-N 3.48Å; I389-T392 WeakPolarHBondContact CA-OG1 3.31Å; I389-T392 PolarHBondContact O-N 3.42Å; I389-T392 VanDerWaalsContact O-N 3.17Å; I389-T392 PolarHBondContact O-OG1 2.87Å; I389-N393 PolarHBondContact O-N 2.82Å
390	A	67.8	Low	59	Low	7 Å²	7	60.1 Å²	60.1	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-59	-45.2	176.2	0	0	0	0	0	111.8	F358 S386 L387 G388 T392 N393 P413 L414	F358-A390 HydrophobicContact CD2-CB 4.22Å; F358-A390 HydrophobicContact CE2-CB 3.45Å; F358-A390 VanDerWaalsContact CE2-CB 3.45Å; F358-A390 HydrophobicContact CZ-CB 3.65Å; S386-A390 WeakPolarHBondContact O-CB 3.19Å; S386-A390 PolarHBondContact O-N 2.89Å; L387-A390 PolarHBondContact O-N 3.09Å; G388-A390 VanDerWaalsContact C-N 3.34Å; G388-A390 PolarHBondContact O-N 3.48Å; A390-T392 VanDerWaalsContact C-N 3.29Å; A390-T392 PolarHBondContact O-N 3.11Å; A390-N393 PolarHBondContact O-N 2.92Å; A390-P413 HydrophobicContact CB-CG 4.25Å; A390-P413 WeakPolarHBondContact O-CD 3.38Å; A390-P413 VanDerWaalsContact O-CG 3.24Å; A390-P413 WeakPolarHBondContact O-CG 3.44Å; A390-L414 HydrophobicContact CB-CD1 3.95Å; A390-L414 HydrophobicContact CB-CG 4.21Å
391	A	66.8	Low	56	Low	14 Å²	14	66 Å²	66	12%	0.116	44%	0.44	C	S	.	.	H	α-helix	trans	-61	-34.6	175.8	0	0	0	0	0	113.1	L387 G388 I389 L414 F630	L387-A391 PolarHBondContact O-N 3.38Å; G388-A391 PolarHBondContact O-N 3.44Å; I389-A391 PolarHBondContact O-N 3.48Å; A391-L414 HydrophobicContact CB-CB 4.32Å; A391-L414 HydrophobicContact CB-CD1 4.32Å; A391-F630 HydrophobicContact CB-CZ 4.28Å
392	T	55.6	Low	53.4	Low	50 Å²	50	68.2 Å²	68.2	31%	0.307	46%	0.457	S	S	.	.	H	α-helix	trans	-77.6	-16	177.9	58.1	0	0	0	0	115.4	G388 I389 A390 T394 P622	G388-T392 WeakPolarHBondContact O-CG2 3.38Å; G388-T392 PolarHBondContact O-N 2.77Å; G388-T392 PolarHBondContact O-OG1 2.93Å; I389-T392 WeakPolarHBondContact CA-OG1 3.31Å; I389-T392 PolarHBondContact O-N 3.42Å; I389-T392 VanDerWaalsContact O-N 3.17Å; I389-T392 PolarHBondContact O-OG1 2.87Å; A390-T392 VanDerWaalsContact C-N 3.29Å; A390-T392 PolarHBondContact O-N 3.11Å; T392-T394 VanDerWaalsContact C-N 3.32Å; T392-T394 PolarHBondContact O-N 3.11Å; T392-P622 HydrophobicContact CG2-CB 4.16Å; T392-P622 HydrophobicContact CG2-CG 4.31Å
393	N	51	Low	50.7	Low	103 Å²	103	69.3 Å²	69.3	55%	0.551	48%	0.478	S	S	*	.			trans	-77.6	77.7	-172.4	-89.5	-19.8	0	0	0	112.8	I389 A390 G395	I389-N393 PolarHBondContact O-N 2.82Å; A390-N393 PolarHBondContact O-N 2.92Å; N393-G395 PolarHBondContact O-N 3.04Å
394	T	44.9	Very low	47.8	Very low	87 Å²	87	75.7 Å²	75.7	53%	0.534	52%	0.517	S	S	.	.			trans	-79	59.4	175.1	52.7	0	0	0	0	112.9	T392 S396 G410	T392-T394 VanDerWaalsContact C-N 3.32Å; T392-T394 PolarHBondContact O-N 3.11Å; T394-S396 PolarHBondContact O-N 3.17Å; T394-G410 WeakPolarHBondContact CG2-O 3.49Å
395	G	31	Very low	45.2	Very low	73 Å²	73	80 Å²	80	75%	0.753	54%	0.538	S	S	*	.			trans	60.5	51	158.3	0	0	0	0	0	117.6	N393 L397	N393-G395 PolarHBondContact O-N 3.04Å; G395-L397 PolarHBondContact O-N 3.27Å
396	S	26.2	Very low	42.9	Very low	124 Å²	124	87.4 Å²	87.4	87%	0.867	56%	0.562	S	S	*	*			trans	-97.5	60.3	170.3	-155.3	0	0	0	0	112.5	T394	T394-S396 PolarHBondContact O-N 3.17Å
397	L	30.8	Very low	40.3	Very low	120 Å²	120	89.2 Å²	89.2	63%	0.628	59%	0.589	S	S	*	*	S	Bend	trans	-158.9	67.5	177	-121.2	139.9	0	0	0	114.4	G395	G395-L397 PolarHBondContact O-N 3.27Å
398	G	25.9	Very low	37.7	Very low	87 Å²	87	93.9 Å²	93.9	90%	0.897	62%	0.622	S	S	*	*			trans	54.7	103	147.1	0	0	0	0	0	120.7
399	G	24.7	Very low	35.6	Very low	74 Å²	74	98.5 Å²	98.5	76%	0.763	66%	0.659	S	S	*	*			trans	-170.5	88.4	167.2	0	0	0	0	0	114.9
400	V	25.3	Very low	33.9	Very low	122 Å²	122	95.7 Å²	95.7	74%	0.739	65%	0.654	S	S	*	*			trans	66.7	110.5	169.6	-166.8	0	0	0	0	117.4	S402	V400-S402 PolarHBondContact O-N 2.98Å
401	P	23.9	Very low	33	Very low	132 Å²	132	100.1 Å²	100.1	86%	0.857	68%	0.68	S	S	*	*			trans	-78.1	116	158.2	32.1	-28.1	0	0	0	109.1
402	S	25.8	Very low	32.5	Very low	104 Å²	104	99.9 Å²	99.9	73%	0.727	68%	0.679	S	S	*	*			trans	-140	130.7	167.3	-78.4	0	0	0	0	110	V400	V400-S402 PolarHBondContact O-N 2.98Å
403	G	23	Very low	33.3	Very low	69 Å²	69	98.8 Å²	98.8	71%	0.711	67%	0.673	S	S	*	*			trans	-69.2	162.8	-156.2	0	0	0	0	0	116.5
404	T	24.6	Very low	34.7	Very low	138 Å²	138	94.6 Å²	94.6	85%	0.847	65%	0.65	S	S	*	*			trans	77.7	142.2	167.7	78.3	0	0	0	0	117.4
405	Q	28.1	Very low	36.2	Very low	144 Å²	144	93.1 Å²	93.1	67%	0.673	64%	0.639	S	S	*	*			trans	76.9	118	-178.6	-47	-158.5	31.9	0	0	117.3	V583	Q405-V583 HydrophobicContact CB-CG1 3.92Å; Q405-V583 HydrophobicContact CG-CG1 4Å
406	R	26.4	Very low	38.6	Very low	236 Å²	236	90 Å²	90	89%	0.891	61%	0.605	S	S	*	*			trans	-98	128.8	178.3	-61.3	170.6	178	168	-1.1	107.6
407	G	25.8	Very low	41.4	Very low	86 Å²	86	84.4 Å²	84.4	89%	0.887	57%	0.566	S	S	*	*			trans	178.1	-3.9	179.8	0	0	0	0	0	119.9
408	S	25.8	Very low	44.2	Very low	100 Å²	100	78.7 Å²	78.7	70%	0.699	54%	0.536	S	S	*	.			trans	-131.5	92.7	177.7	-156.7	0	0	0	0	112	G410	S408-G410 PolarHBondContact O-N 3.1Å
409	A	26.7	Very low	47.1	Very low	103 Å²	103	75.8 Å²	75.8	85%	0.851	50%	0.502	S	S	*	.			trans	-79.9	97.2	167.9	0	0	0	0	0	109.1
410	G	32.5	Very low	50.1	Low	36 Å²	36	72.4 Å²	72.4	37%	0.371	47%	0.467	S	S	.	.			trans	51.4	72	156.4	0	0	0	0	0	116.7	T394 S408 G412	T394-G410 WeakPolarHBondContact CG2-O 3.49Å; S408-G410 PolarHBondContact O-N 3.1Å; G410-G412 PolarHBondContact O-N 3.31Å
411	V	47.8	Very low	53.2	Low	100 Å²	100	70.2 Å²	70.2	61%	0.606	46%	0.455	S	S	*	.			trans	-77	103.7	166.1	-172.2	0	0	0	0	108.4
412	G	57.1	Low	56.2	Low	10 Å²	10	64.4 Å²	64.4	10%	0.103	42%	0.419	C	S	.	.			trans	-65.9	160.4	173.9	0	0	0	0	0	112	G410 L414 H443	G410-G412 PolarHBondContact O-N 3.31Å; G412-L414 PolarHBondContact O-N 3.28Å; G412-H443 PolarHBondContact O-NE2 3.04Å
413	P	72.7	Confident	59.3	Low	26 Å²	26	59.5 Å²	59.5	17%	0.169	39%	0.385	C	S	.	.	S	Bend	trans	-64.5	-2.2	-176	22.9	-35.9	0	0	0	117.4	H354 S355 F358 A390 H443	H354-P413 CarbonylContact C-O 3.36Å; H354-P413 VanDerWaalsContact CA-O 3.3Å; H354-P413 WeakPolarHBondContact CA-O 3.15Å; H354-P413 WeakPolarHBondContact CB-O 3.21Å; S355-P413 PolarHBondContact N-O 3.1Å; S355-P413 WeakPolarHBondContact OG-CB 3.4Å; S355-P413 PolarHBondContact OG-O 2.86Å; F358-P413 HydrophobicContact CB-CB 3.74Å; F358-P413 HydrophobicContact CD2-CB 4.15Å; F358-P413 HydrophobicContact CD2-CG 4.27Å; F358-P413 HydrophobicContact CG-CB 4.08Å; A390-P413 HydrophobicContact CB-CG 4.25Å; A390-P413 WeakPolarHBondContact O-CD 3.38Å; A390-P413 VanDerWaalsContact O-CG 3.24Å; A390-P413 WeakPolarHBondContact O-CG 3.44Å; P413-H443 PolarHBondContact O-CD2 2.69Å
414	L	79.3	Confident	62.5	Low	16 Å²	16	63.7 Å²	63.7	8%	0.084	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.3	-174.8	-63.2	-171.8	0	0	0	111.2	A352 H354 F358 L387 A390 A391 G412	A352-L414 HydrophobicContact CB-CD1 4.3Å; A352-L414 HydrophobicContact CB-CD2 3.78Å; H354-L414 HydrophobicContact CB-CD2 3.46Å; H354-L414 VanDerWaalsContact CB-CD2 3.46Å; F358-L414 HydrophobicContact CD1-CD2 3.54Å; F358-L414 HydrophobicContact CE1-CD2 3.63Å; F358-L414 HydrophobicContact CE1-CG 4.48Å; F358-L414 HydrophobicContact CG-CD2 4.26Å; F358-L414 HydrophobicContact CZ-CD2 4.43Å; L387-L414 HydrophobicContact CB-CD1 3.93Å; L387-L414 HydrophobicContact CD2-CD1 3.78Å; L387-L414 HydrophobicContact CD2-CD2 4.46Å; L387-L414 HydrophobicContact CG-CD1 4.47Å; L387-L414 WeakPolarHBondContact O-CD1 3.42Å; A390-L414 HydrophobicContact CB-CD1 3.95Å; A390-L414 HydrophobicContact CB-CG 4.21Å; A391-L414 HydrophobicContact CB-CB 4.32Å; A391-L414 HydrophobicContact CB-CD1 4.32Å; G412-L414 PolarHBondContact O-N 3.28Å
415	L	76.7	Confident	65.4	Low	56 Å²	56	57.9 Å²	57.9	29%	0.293	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-35.7	180	177.3	66.6	0	0	0	114.5	S353 N440 H443 F630	S353-L415 PolarHBondContact O-N 3.14Å; L415-N440 HydrophobicContact CD2-CB 3.88Å; L415-N440 VanDerWaalsContact CD2-CG 3.48Å; L415-H443 HydrophobicContact CB-CB 3.64Å; L415-H443 HydrophobicContact CD2-CB 3.87Å; L415-H443 HydrophobicContact CG-CB 4.42Å; L415-F630 WeakPolarHBondContact O-CD1 3.4Å; L415-F630 WeakPolarHBondContact O-CE1 3.43Å
416	S	81.8	Confident	68.2	Low	6 Å²	6	54.6 Å²	54.6	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	126.8	-176.9	-174	0	0	0	0	110.4	A352 S353 S438	A352-S416 CarbonylContact C-O 3.47Å; A352-S416 WeakPolarHBondContact CA-O 3.49Å; A352-S416 WeakPolarHBondContact CB-O 3.5Å; S353-S416 PolarHBondContact N-O 2.74Å; S353-S416 VanDerWaalsContact OG-CB 3.25Å; S353-S416 WeakPolarHBondContact OG-CB 3.5Å; S353-S416 PolarHBondContact OG-N 3.5Å; S416-S438 WeakPolarHBondContact CB-O 3.41Å; S416-S438 PolarHBondContact OG-N 3.23Å; S416-S438 VanDerWaalsContact OG-N 3.14Å
417	L	85.1	Confident	71	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131	176.7	-167.7	81.6	0	0	0	110.8	I350 G351 L387 M627 F630	I350-L417 HydrophobicContact CD1-CD1 4.28Å; I350-L417 HydrophobicContact CD1-CD2 4.48Å; G351-L417 VanDerWaalsContact O-CD1 3.24Å; G351-L417 WeakPolarHBondContact O-CD1 3.27Å; L387-L417 HydrophobicContact CB-CD1 4.09Å; L387-L417 HydrophobicContact CD1-CD1 3.65Å; L387-L417 HydrophobicContact CG-CD1 4.48Å; L417-M627 HydrophobicContact CD2-CG 4.25Å; L417-F630 HydrophobicContact CB-CB 3.61Å; L417-F630 HydrophobicContact CB-CD2 3.51Å; L417-F630 HydrophobicContact CB-CE2 4.31Å; L417-F630 HydrophobicContact CB-CG 3.71Å
418	V	88.3	Confident	73.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.4	166.1	179.7	0	0	0	0	107.4	L321 I350 G351 T435 V437 I446 F448	L321-V418 HydrophobicContact CD1-CG1 3.84Å; L321-V418 HydrophobicContact CD1-CG2 4.16Å; I350-V418 CarbonylContact C-O 3.53Å; I350-V418 WeakPolarHBondContact CA-O 3.46Å; G351-V418 PolarHBondContact N-O 3.46Å; G351-V418 PolarHBondContact O-N 2.98Å; V418-T435 HydrophobicContact CG1-CG2 3.84Å; V418-V437 HydrophobicContact CG2-CB 4.12Å; V418-V437 HydrophobicContact CG2-CG2 3.88Å; V418-I446 HydrophobicContact CG2-CG2 4.24Å; V418-F448 HydrophobicContact CB-CB 4.25Å; V418-F448 HydrophobicContact CG1-CB 3.84Å; V418-F448 HydrophobicContact CG1-CG 4.3Å
419	S	87.6	Confident	76.9	Confident	26 Å²	26	44 Å²	44	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	117	178.5	175.1	0	0	0	0	110.9	L349 T435	L349-S419 WeakPolarHBondContact O-CA 3.43Å; S419-T435 PolarHBondContact O-OG1 2.94Å
420	A	88.9	Confident	79.9	Confident	3 Å²	3	45 Å²	45	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.1	172.4	0	0	0	0	0	110.6	N348 L349 R433	N348-A420 CarbonylContact C-O 3.53Å; N348-A420 WeakPolarHBondContact CA-O 3.23Å; L349-A420 HydrophobicContact CB-CB 4.12Å; L349-A420 HydrophobicContact CD2-CB 4.4Å; L349-A420 PolarHBondContact N-O 3.31Å; L349-A420 PolarHBondContact O-N 3.41Å; A420-R433 HydrophobicContact CB-CB 4.32Å
421	P	88.5	Confident	82.6	Confident	76 Å²	76	47.1 Å²	47.1	49%	0.494	25%	0.247	S	C	.	.			trans	-64.7	145.5	176.1	28.7	-35.2	0	0	0	111
422	G	87.3	Confident	84.8	Confident	10 Å²	10	46.2 Å²	46.2	10%	0.103	24%	0.242	C	C	.	.			trans	-67.3	169.5	174.3	0	0	0	0	0	113	W346 N348	W346-G422 CarbonylContact O-C 3.52Å; W346-G422 WeakPolarHBondContact O-CA 3.47Å; N348-G422 PolarHBondContact OD1-N 3.01Å
423	M	92.2	Very high	86.4	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.3	-177.4	-66.3	177.3	-71.2	0	0	108	F323 H345 W346 A428 E431 R433	F323-M423 HydrophobicContact CD1-CE 3.68Å; F323-M423 HydrophobicContact CE1-CE 3.62Å; H345-M423 CarbonylContact C-O 3.17Å; H345-M423 WeakPolarHBondContact CA-O 3.28Å; H345-M423 WeakPolarHBondContact CB-O 3.34Å; W346-M423 HydrophobicContact CB-CB 4.33Å; W346-M423 HydrophobicContact CB-CE 3.94Å; W346-M423 HydrophobicContact CG-CE 3.84Å; W346-M423 PolarHBondContact N-O 3.37Å; W346-M423 PolarHBondContact O-N 3.49Å; M423-A428 HydrophobicContact CB-CB 4.01Å; M423-A428 WeakPolarHBondContact CB-O 3.5Å; M423-E431 HydrophobicContact CG-CB 4.46Å; M423-E431 HydrophobicContact SD-CB 3.48Å; M423-E431 WeakPolarHBondContact SD-CB 3.43Å; M423-R433 HydrophobicContact CE-CG 3.89Å; M423-R433 HydrophobicContact CG-CG 3.68Å; M423-R433 VanDerWaalsContact CG-NE 3.28Å; M423-R433 HydrophobicContact SD-CG 3.38Å; M423-R433 WeakPolarHBondContact SD-CG 3.13Å
424	W	89.3	Confident	87.3	Confident	156 Å²	156	51.5 Å²	51.5	59%	0.591	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.5	-169.5	-64.9	80.5	0	0	0	111.3	H345 A428	H345-W424 HydrophobicContact CB-CB 4.35Å; H345-W424 HydrophobicContact CB-CD2 3.64Å; H345-W424 HydrophobicContact CB-CE3 3.54Å; H345-W424 HydrophobicContact CB-CG 4.01Å; H345-W424 HydrophobicContact CB-CZ3 4.05Å; H345-W424 AromaticContact CD2-CE3 3.99Å; H345-W424 AromaticContact CD2-CH2 3.49Å; H345-W424 VanDerWaalsContact CD2-CH2 3.49Å; H345-W424 WeakPolarHBondContact CD2-CH2 3.29Å; H345-W424 AromaticContact CD2-CZ2 3.72Å; H345-W424 AromaticContact CD2-CZ3 3.63Å; H345-W424 AromaticContact CE1-CH2 3.79Å; H345-W424 AromaticContact CE1-CZ3 3.57Å; H345-W424 AromaticContact CG-CD2 3.96Å; H345-W424 AromaticContact CG-CE3 3.55Å; H345-W424 AromaticContact CG-CH2 3.88Å; H345-W424 AromaticContact CG-CZ3 3.51Å; H345-W424 AromaticContact ND1-CE3 3.82Å; H345-W424 AromaticContact ND1-CZ3 3.48Å; H345-W424 WeakPolarHBondContact ND1-CZ3 3.44Å; H345-W424 AromaticContact NE2-CH2 3.45Å; H345-W424 WeakPolarHBondContact NE2-CH2 3.49Å; H345-W424 AromaticContact NE2-CZ3 3.7Å; W424-A428 WeakPolarHBondContact O-CB 3.22Å
425	G	86.2	Confident	87.8	Confident	17 Å²	17	51.5 Å²	51.5	18%	0.175	27%	0.265	C	S	.	.	S	Bend	trans	93.7	153.1	-172.4	0	0	0	0	0	112.7	L344 E427 A428 L429	L344-G425 WeakPolarHBondContact O-CA 3.34Å; L344-G425 PolarHBondContact O-N 2.95Å; G425-E427 VanDerWaalsContact C-N 3.31Å; G425-E427 PolarHBondContact O-N 2.79Å; G425-A428 PolarHBondContact O-N 3.4Å; G425-L429 PolarHBondContact O-N 2.82Å
426	E	86.7	Confident	88.3	Confident	74 Å²	74	52 Å²	52	35%	0.346	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-54.7	-42.3	-179.5	-171.6	163.9	-155.9	0	0	112.8	W336 P341 L344 A428 L429	W336-E426 HydrophobicContact CZ2-CG 4.25Å; W336-E426 PolarHBondContact NE1-OE1 3.06Å; P341-E426 HydrophobicContact CB-CB 4.3Å; P341-E426 PolarHBondContact O-N 2.68Å; L344-E426 HydrophobicContact CD1-CB 3.97Å; L344-E426 HydrophobicContact CD1-CG 4.09Å; E426-A428 VanDerWaalsContact C-N 3.29Å; E426-A428 PolarHBondContact O-N 2.92Å; E426-L429 WeakPolarHBondContact O-CB 3.46Å; E426-L429 PolarHBondContact O-N 3.1Å
427	E	83.8	Confident	88.5	Confident	188 Å²	188	51.7 Å²	51.7	88%	0.879	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-63.5	-32.1	177.7	-62.4	178.7	-176.6	0	0	113.1	G425 L429	G425-E427 VanDerWaalsContact C-N 3.31Å; G425-E427 PolarHBondContact O-N 2.79Å; E427-L429 VanDerWaalsContact C-N 3.33Å
428	A	86.8	Confident	88.4	Confident	10 Å²	10	53 Å²	53	8%	0.083	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-82.9	-8.4	-178.5	0	0	0	0	0	113	M423 W424 G425 E426 E430 E431	M423-A428 HydrophobicContact CB-CB 4.01Å; M423-A428 WeakPolarHBondContact CB-O 3.5Å; W424-A428 WeakPolarHBondContact O-CB 3.22Å; G425-A428 PolarHBondContact O-N 3.4Å; E426-A428 VanDerWaalsContact C-N 3.29Å; E426-A428 PolarHBondContact O-N 2.92Å; A428-E430 PolarHBondContact O-N 2.99Å; A428-E431 WeakPolarHBondContact O-CB 3.41Å; A428-E431 PolarHBondContact O-N 2.04Å
429	L	88.9	Confident	88.1	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-67.6	-23.3	-180	-68.9	-173.6	0	0	0	113.8	G325 W327 W336 L344 W346 G425 E426 E427	G325-L429 CarbonylContact C-O 3.45Å; G325-L429 WeakPolarHBondContact CA-O 3.48Å; W327-L429 HydrophobicContact CD2-CD1 4.33Å; W327-L429 HydrophobicContact CE3-CD1 3.93Å; W327-L429 HydrophobicContact CE3-CD2 3.92Å; W327-L429 HydrophobicContact CZ3-CD1 4.2Å; W327-L429 HydrophobicContact CZ3-CD2 4.02Å; W327-L429 WeakPolarHBondContact O-CB 3.46Å; W327-L429 WeakPolarHBondContact O-CD1 3.08Å; W336-L429 HydrophobicContact CH2-CD1 3.59Å; W336-L429 HydrophobicContact CZ2-CD1 3.84Å; L344-L429 HydrophobicContact CB-CD1 4.05Å; L344-L429 HydrophobicContact CB-CD2 4.46Å; L344-L429 HydrophobicContact CB-CG 4.41Å; L344-L429 HydrophobicContact CD1-CD1 4.36Å; L344-L429 HydrophobicContact CD2-CD1 4.32Å; L344-L429 HydrophobicContact CG-CD1 4.49Å; W346-L429 PolarHBondContact NE1-O 3.18Å; G425-L429 PolarHBondContact O-N 2.82Å; E426-L429 WeakPolarHBondContact O-CB 3.46Å; E426-L429 PolarHBondContact O-N 3.1Å; E427-L429 VanDerWaalsContact C-N 3.33Å
430	E	90	Very high	87.5	Confident	124 Å²	124	53.6 Å²	53.6	58%	0.579	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-95.2	-2.7	177.7	-65.7	-174.9	-148.9	0	0	113	T328 A428	T328-E430 HydrophobicContact CG2-CG 3.47Å; T328-E430 VanDerWaalsContact CG2-CG 3.47Å; T328-E430 WeakPolarHBondContact CG2-OE1 3.39Å; A428-E430 PolarHBondContact O-N 2.99Å
431	E	90.5	Very high	86.7	Confident	82 Å²	82	58.8 Å²	58.8	38%	0.383	29%	0.291	S	S	.	.			trans	-66.8	162.3	178.8	-78.7	-176.4	176	0	0	112.8	G325 M423 A428 R433	G325-E431 PolarHBondContact N-O 3.29Å; M423-E431 HydrophobicContact CG-CB 4.46Å; M423-E431 HydrophobicContact SD-CB 3.48Å; M423-E431 WeakPolarHBondContact SD-CB 3.43Å; A428-E431 WeakPolarHBondContact O-CB 3.41Å; A428-E431 PolarHBondContact O-N 2.04Å; E431-R433 IonicContact OE2-CZ 2.67Å; E431-R433 IonicContact OE2-NE 2.81Å; E431-R433 IonicContact OE2-NH2 2.79Å; E431-R433 PolarHBondContact OE2-NH2 2.91Å
432	T	92.3	Very high	85.8	Confident	81 Å²	81	58.9 Å²	58.9	50%	0.497	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.4	172.3	63.4	0	0	0	0	111.1	F323 T324	F323-T432 CarbonylContact O-C 3.57Å; F323-T432 VanDerWaalsContact O-CA 3.24Å; F323-T432 WeakPolarHBondContact O-CA 3.49Å; T324-T432 HydrophobicContact CG2-CG2 3.89Å
433	R	91.8	Very high	85.4	Confident	69 Å²	69	58.6 Å²	58.6	26%	0.26	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	173.7	-65	-70.6	163.3	157.2	-3.6	109.8	F323 A420 M423 E431	F323-R433 PolarHBondContact N-O 3.36Å; F323-R433 PolarHBondContact O-N 2.92Å; A420-R433 HydrophobicContact CB-CB 4.32Å; M423-R433 HydrophobicContact CE-CG 3.89Å; M423-R433 HydrophobicContact CG-CG 3.68Å; M423-R433 VanDerWaalsContact CG-NE 3.28Å; M423-R433 HydrophobicContact SD-CG 3.38Å; M423-R433 WeakPolarHBondContact SD-CG 3.13Å; E431-R433 IonicContact OE2-CZ 2.67Å; E431-R433 IonicContact OE2-NE 2.81Å; E431-R433 IonicContact OE2-NH2 2.79Å; E431-R433 PolarHBondContact OE2-NH2 2.91Å
434	T	90.9	Very high	84.8	Confident	77 Å²	77	58.6 Å²	58.6	47%	0.472	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.3	178.6	51.2	0	0	0	0	110.8	L321 T322	L321-T434 CarbonylContact O-C 3.48Å; L321-T434 WeakPolarHBondContact O-CA 3.46Å; T322-T434 HydrophobicContact CG2-CG2 3.76Å
435	T	89.5	Confident	84.7	Confident	17 Å²	17	51.4 Å²	51.4	10%	0.104	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	171.5	161.6	-175.3	0	0	0	0	108.2	L321 V418 S419	L321-T435 HydrophobicContact CB-CG2 4.08Å; L321-T435 HydrophobicContact CD2-CG2 4.16Å; L321-T435 HydrophobicContact CG-CG2 4.49Å; L321-T435 PolarHBondContact N-O 2.75Å; L321-T435 PolarHBondContact O-N 3.25Å; L321-T435 VanDerWaalsContact O-O 3.1Å; V418-T435 HydrophobicContact CG1-CG2 3.84Å; S419-T435 PolarHBondContact O-OG1 2.94Å
436	Y	87.9	Confident	84.9	Confident	65 Å²	65	50.6 Å²	50.6	26%	0.255	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	154.4	173.8	-62.2	-101.6	0	0	0	109.7	Y319 K320 V536 I633 I660	Y319-Y436 CarbonylContact O-C 3.5Å; Y319-Y436 WeakPolarHBondContact O-CA 3.5Å; K320-Y436 HydrophobicContact CB-CD1 4.01Å; K320-Y436 HydrophobicContact CB-CE1 3.79Å; K320-Y436 HydrophobicContact CD-CE1 4.5Å; K320-Y436 HydrophobicContact CG-CE1 4.21Å; Y436-V536 HydrophobicContact CD1-CG2 4.4Å; Y436-V536 HydrophobicContact CE1-CG2 4.08Å; Y436-I633 HydrophobicContact CD1-CD1 3.8Å; Y436-I633 HydrophobicContact CD2-CD1 3.75Å; Y436-I633 HydrophobicContact CG-CD1 3.31Å; Y436-I660 HydrophobicContact CD1-CD1 4.04Å; Y436-I660 HydrophobicContact CD2-CD1 4.12Å; Y436-I660 HydrophobicContact CD2-CG2 4.34Å; Y436-I660 HydrophobicContact CE1-CD1 3.56Å; Y436-I660 HydrophobicContact CE2-CD1 3.7Å; Y436-I660 HydrophobicContact CE2-CG2 4.15Å; Y436-I660 HydrophobicContact CG-CD1 4.3Å
437	V	87.2	Confident	85.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.8	179.8	59.8	0	0	0	0	109.5	Y319 L321 V418 I446	Y319-V437 PolarHBondContact N-O 2.99Å; Y319-V437 PolarHBondContact O-N 3.45Å; L321-V437 HydrophobicContact CB-CG1 4.41Å; L321-V437 HydrophobicContact CD1-CG1 4.4Å; V418-V437 HydrophobicContact CG2-CB 4.12Å; V418-V437 HydrophobicContact CG2-CG2 3.88Å; V437-I446 HydrophobicContact CG1-CD1 3.73Å; V437-I446 HydrophobicContact CG1-CG1 4.42Å; V437-I446 HydrophobicContact CG2-CD1 4.48Å; V437-I446 HydrophobicContact CG2-CG1 4.33Å
438	S	83	Confident	85.6	Confident	36 Å²	36	38.1 Å²	38.1	25%	0.252	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.7	177.4	-59.1	0	0	0	0	111	A317 S318 S353 S416	A317-S438 CarbonylContact O-C 3.52Å; A317-S438 WeakPolarHBondContact O-CA 3.42Å; S318-S438 PolarHBondContact OG-OG 2.87Å; S353-S438 WeakPolarHBondContact CB-O 3.49Å; S353-S438 PolarHBondContact OG-O 3.24Å; S416-S438 WeakPolarHBondContact CB-O 3.41Å; S416-S438 PolarHBondContact OG-N 3.23Å; S416-S438 VanDerWaalsContact OG-N 3.14Å
439	V	80.6	Confident	86	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.9	178.1	-63.3	0	0	0	0	109.8	S316 A317 Y319 H443 I446 V467 W474	S316-V439 CarbonylContact C-O 3.27Å; S316-V439 VanDerWaalsContact CA-O 3.26Å; S316-V439 WeakPolarHBondContact CA-O 3.02Å; S316-V439 WeakPolarHBondContact CB-O 3.38Å; A317-V439 HydrophobicContact CB-CG2 3.83Å; A317-V439 PolarHBondContact N-O 3.43Å; A317-V439 PolarHBondContact O-N 2.78Å; Y319-V439 HydrophobicContact CD2-CG2 4.02Å; Y319-V439 HydrophobicContact CE2-CG2 3.61Å; V439-H443 WeakPolarHBondContact CB-O 3.39Å; V439-I446 HydrophobicContact CG1-CD1 4Å; V439-I446 HydrophobicContact CG1-CG1 3.86Å; V439-V467 HydrophobicContact CB-CG2 4.12Å; V439-V467 HydrophobicContact CG1-CG2 3.81Å; V439-V467 HydrophobicContact CG2-CG2 3.67Å; V439-W474 HydrophobicContact CB-CZ3 4.37Å; V439-W474 HydrophobicContact CG2-CD2 4.36Å; V439-W474 HydrophobicContact CG2-CE3 3.87Å; V439-W474 HydrophobicContact CG2-CH2 4.3Å; V439-W474 HydrophobicContact CG2-CZ3 3.82Å
440	N	76	Confident	86.3	Confident	39 Å²	39	37.6 Å²	37.6	21%	0.209	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	179.2	171.4	71	8.5	0	0	0	109.8	L415 T442 H443 W474	L415-N440 HydrophobicContact CD2-CB 3.88Å; L415-N440 VanDerWaalsContact CD2-CG 3.48Å; N440-T442 PolarHBondContact O-N 2.85Å; N440-T442 VanDerWaalsContact O-N 3.09Å; N440-T442 PolarHBondContact OD1-N 2.84Å; N440-T442 VanDerWaalsContact OD1-N 3.07Å; N440-T442 PolarHBondContact OD1-OG1 2.95Å; N440-H443 PolarHBondContact N-O 2.87Å; N440-H443 CarbonylContact O-C 3.47Å; N440-H443 PolarHBondContact O-N 3.05Å; N440-H443 PolarHBondContact OD1-N 2.88Å; N440-H443 PolarHBondContact OD1-ND1 2.88Å; N440-H443 VanDerWaalsContact OD1-ND1 3.15Å; N440-W474 WeakPolarHBondContact O-CH2 3.04Å
441	R	72	Confident	86.6	Confident	112 Å²	112	32.1 Å²	32.1	42%	0.423	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-35.2	-179.4	-162.5	177.4	172.2	-179	-3.3	114.2	C311 A313	C311-R441 HydrophobicContact CB-CG 4.4Å; C311-R441 WeakPolarHBondContact CB-O 3.5Å; C311-R441 WeakPolarHBondContact O-CD 3.38Å; C311-R441 WeakPolarHBondContact O-CG 3.35Å; C311-R441 PolarHBondContact O-NE 2.84Å; A313-R441 WeakPolarHBondContact O-CB 3.47Å; A313-R441 WeakPolarHBondContact O-CG 3.47Å
442	T	68.4	Low	86.7	Confident	78 Å²	78	28.2 Å²	28.2	48%	0.479	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-16.1	-179.2	51.9	0	0	0	0	114.1	S355 N440 P444	S355-T442 WeakPolarHBondContact CA-O 3.43Å; N440-T442 PolarHBondContact O-N 2.85Å; N440-T442 VanDerWaalsContact O-N 3.09Å; N440-T442 PolarHBondContact OD1-N 2.84Å; N440-T442 VanDerWaalsContact OD1-N 3.07Å; N440-T442 PolarHBondContact OD1-OG1 2.95Å; T442-P444 VanDerWaalsContact C-CD 3.44Å
443	H	80.4	Confident	86.6	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.019	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-130.8	64	178.8	-54.6	72.6	0	0	0	110.9	H354 S355 G412 P413 L415 V439 N440 L445	H354-H443 CarbonylContact O-C 3.47Å; H354-H443 VanDerWaalsContact O-CA 3.29Å; H354-H443 WeakPolarHBondContact O-CA 3.3Å; S355-H443 PolarHBondContact N-CD2 2.83Å; S355-H443 VanDerWaalsContact N-CD2 3.34Å; G412-H443 PolarHBondContact O-NE2 3.04Å; P413-H443 PolarHBondContact O-CD2 2.69Å; L415-H443 HydrophobicContact CB-CB 3.64Å; L415-H443 HydrophobicContact CD2-CB 3.87Å; L415-H443 HydrophobicContact CG-CB 4.42Å; V439-H443 WeakPolarHBondContact CB-O 3.39Å; N440-H443 PolarHBondContact N-O 2.87Å; N440-H443 CarbonylContact O-C 3.47Å; N440-H443 PolarHBondContact O-N 3.05Å; N440-H443 PolarHBondContact OD1-N 2.88Å; N440-H443 PolarHBondContact OD1-ND1 2.88Å; N440-H443 VanDerWaalsContact OD1-ND1 3.15Å; H443-L445 VanDerWaalsContact C-N 3.29Å; H443-L445 PolarHBondContact O-N 2.68Å
444	P	79.4	Confident	86.5	Confident	1 Å²	1	22 Å²	22	1%	0.006	12%	0.115	C	C	.	.			trans	-82.8	-5.6	-176.3	35.1	-37.6	0	0	0	113.6	P308 C311 T442 S466 V467 C468 W474	P308-P444 HydrophobicContact CB-CG 4.25Å; P308-P444 WeakPolarHBondContact O-CG 3.44Å; C311-P444 HydrophobicContact CB-CB 4.07Å; C311-P444 HydrophobicContact CB-CG 4.01Å; T442-P444 VanDerWaalsContact C-CD 3.44Å; P444-S466 WeakPolarHBondContact O-CA 3.29Å; P444-V467 PolarHBondContact O-N 3.23Å; P444-C468 HydrophobicContact CB-CB 3.66Å; P444-W474 HydrophobicContact CB-CH2 4.49Å; P444-W474 HydrophobicContact CB-CZ3 4.26Å
445	L	85.7	Confident	86.6	Confident	4 Å²	4	19.1 Å²	19.1	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144	-175.6	-57.6	-178.3	0	0	0	111.3	P308 S353 H354 H443 Q465	P308-L445 HydrophobicContact CB-CD1 3.75Å; P308-L445 HydrophobicContact CB-CD2 3.69Å; P308-L445 HydrophobicContact CB-CG 3.78Å; P308-L445 HydrophobicContact CG-CD1 3.93Å; P308-L445 HydrophobicContact CG-CD2 3.74Å; P308-L445 HydrophobicContact CG-CG 4.2Å; S353-L445 CarbonylContact C-O 3.55Å; S353-L445 WeakPolarHBondContact CA-O 3.27Å; S353-L445 WeakPolarHBondContact CB-O 3.36Å; H354-L445 PolarHBondContact N-O 3.27Å; H443-L445 VanDerWaalsContact C-N 3.29Å; H443-L445 PolarHBondContact O-N 2.68Å; L445-Q465 CarbonylContact C-O 3.52Å; L445-Q465 WeakPolarHBondContact CA-O 3.34Å
446	I	90.5	Very high	86.6	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133	170.9	-57.5	169.3	0	0	0	108.7	L321 V418 V437 V439 I462 Q465 V467 L533	L321-I446 HydrophobicContact CD1-CG2 4.33Å; V418-I446 HydrophobicContact CG2-CG2 4.24Å; V437-I446 HydrophobicContact CG1-CD1 3.73Å; V437-I446 HydrophobicContact CG1-CG1 4.42Å; V437-I446 HydrophobicContact CG2-CD1 4.48Å; V437-I446 HydrophobicContact CG2-CG1 4.33Å; V439-I446 HydrophobicContact CG1-CD1 4Å; V439-I446 HydrophobicContact CG1-CG1 3.86Å; I446-I462 HydrophobicContact CB-CD1 4.36Å; I446-I462 HydrophobicContact CG2-CD1 4.04Å; I446-Q465 PolarHBondContact N-O 3.37Å; I446-Q465 PolarHBondContact O-N 2.77Å; I446-V467 HydrophobicContact CD1-CG1 3.69Å; I446-V467 HydrophobicContact CD1-CG2 4.35Å; I446-V467 HydrophobicContact CG1-CG1 4.45Å; I446-L533 HydrophobicContact CD1-CD1 4.36Å; I446-L533 HydrophobicContact CD1-CD2 4.22Å
447	S	91	Very high	86.8	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.5	171.2	-68.8	0	0	0	0	110.6	G351 A352 H354 I462 S464	G351-S447 CarbonylContact C-O 3.49Å; G351-S447 WeakPolarHBondContact CA-O 3.13Å; A352-S447 PolarHBondContact N-O 3.41Å; A352-S447 PolarHBondContact O-N 3.45Å; H354-S447 WeakPolarHBondContact NE2-CB 3.48Å; H354-S447 PolarHBondContact NE2-OG 2.86Å; S447-I462 CarbonylContact C-O 3.6Å; S447-I462 VanDerWaalsContact CA-O 3.23Å; S447-I462 WeakPolarHBondContact CA-O 3.36Å; S447-S464 PolarHBondContact OG-N 2.03Å
448	F	94.3	Very high	87.2	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.6	165.6	79.8	-91.1	0	0	0	111.5	L321 F323 L349 I350 Y361 V418 G461 I462 L482 L531	L321-F448 HydrophobicContact CD1-CD1 4.01Å; L321-F448 HydrophobicContact CD1-CE1 4.23Å; L321-F448 HydrophobicContact CD2-CE1 4.3Å; F323-F448 HydrophobicContact CD2-CE2 4.06Å; F323-F448 HydrophobicContact CD2-CZ 4.15Å; F323-F448 HydrophobicContact CE2-CE2 4.5Å; L349-F448 HydrophobicContact CD2-CD2 4.22Å; L349-F448 HydrophobicContact CD2-CE2 4.04Å; L349-F448 HydrophobicContact CG-CD2 4.35Å; L349-F448 HydrophobicContact CG-CE2 4.4Å; I350-F448 CarbonylContact O-C 3.49Å; I350-F448 VanDerWaalsContact O-CA 3.26Å; I350-F448 WeakPolarHBondContact O-CA 3.34Å; I350-F448 WeakPolarHBondContact O-CB 3.27Å; Y361-F448 PolarHBondContact OH-O 2.91Å; V418-F448 HydrophobicContact CB-CB 4.25Å; V418-F448 HydrophobicContact CG1-CB 3.84Å; V418-F448 HydrophobicContact CG1-CG 4.3Å; F448-G461 CarbonylContact O-C 3.57Å; F448-G461 VanDerWaalsContact O-CA 3.3Å; F448-G461 WeakPolarHBondContact O-CA 3.43Å; F448-I462 HydrophobicContact CD1-CD1 4.03Å; F448-I462 HydrophobicContact CD1-CG1 3.5Å; F448-I462 HydrophobicContact CE1-CD1 4.04Å; F448-I462 HydrophobicContact CE1-CG1 3.55Å; F448-I462 PolarHBondContact N-O 2.8Å; F448-I462 PolarHBondContact O-N 3.34Å; F448-I462 VanDerWaalsContact O-N 3.07Å; F448-I462 VanDerWaalsContact O-O 3.12Å; F448-L482 HydrophobicContact CZ-CD1 4.14Å; F448-L531 HydrophobicContact CE1-CD1 3.49Å; F448-L531 VanDerWaalsContact CE1-CD1 3.49Å; F448-L531 HydrophobicContact CE1-CD2 3.76Å; F448-L531 HydrophobicContact CE1-CG 4.2Å; F448-L531 HydrophobicContact CZ-CD1 3.75Å; F448-L531 HydrophobicContact CZ-CD2 4.41Å
449	L	95.1	Very high	87.8	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.8	171.4	62.6	152.5	0	0	0	112.2	I350 I360 Y361 V371 V374 T460 W485	I350-L449 HydrophobicContact CG2-CD2 4.21Å; I350-L449 HydrophobicContact CG2-CG 4.13Å; I350-L449 PolarHBondContact N-O 2.89Å; I350-L449 PolarHBondContact O-N 2.92Å; I360-L449 HydrophobicContact CG2-CD2 3.68Å; Y361-L449 HydrophobicContact CD1-CD2 4.21Å; Y361-L449 HydrophobicContact CE1-CB 4.19Å; Y361-L449 HydrophobicContact CE1-CD2 4.39Å; V371-L449 HydrophobicContact CB-CD1 4.49Å; V371-L449 HydrophobicContact CG1-CD1 4.12Å; V371-L449 HydrophobicContact CG2-CD1 4.44Å; V374-L449 HydrophobicContact CB-CD1 3.83Å; V374-L449 HydrophobicContact CG1-CD1 3.65Å; V374-L449 HydrophobicContact CG1-CG 4.18Å; V374-L449 HydrophobicContact CG2-CD1 4.38Å; L449-T460 CarbonylContact C-O 3.5Å; L449-T460 WeakPolarHBondContact CA-O 3.24Å; L449-W485 HydrophobicContact CB-CH2 4.28Å; L449-W485 HydrophobicContact CB-CZ2 3.93Å; L449-W485 HydrophobicContact CD1-CH2 4.19Å
450	T	95.8	Very high	88.4	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.3	165.5	178.2	0	0	0	0	109.5	F323 W346 T347 L349 C459 T460	F323-T450 HydrophobicContact CE2-CG2 3.8Å; F323-T450 HydrophobicContact CZ-CG2 3.9Å; W346-T450 HydrophobicContact CE3-CG2 3.81Å; W346-T450 HydrophobicContact CZ3-CG2 4.18Å; T347-T450 PolarHBondContact N-OG1 2.85Å; T347-T450 PolarHBondContact O-OG1 2.75Å; T347-T450 PolarHBondContact OG1-OG1 2.86Å; L349-T450 HydrophobicContact CD1-CG2 4.39Å; L349-T450 HydrophobicContact CG-CG2 4.3Å; T450-C459 CarbonylContact O-C 3.49Å; T450-C459 VanDerWaalsContact O-CA 3.26Å; T450-C459 WeakPolarHBondContact O-CA 3.12Å; T450-T460 HydrophobicContact CG2-CG2 4.08Å; T450-T460 PolarHBondContact N-O 3.45Å; T450-T460 PolarHBondContact O-N 2.88Å
451	M	95.4	Very high	89.2	Confident	10 Å²	10	12.2 Å²	12.2	5%	0.049	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	142.2	178.1	-175	-167.7	88.3	0	0	110.4	H345 T347 V374 C375 G378 W458	H345-M451 WeakPolarHBondContact NE2-CE 3.32Å; T347-M451 HydrophobicContact CG2-CB 3.7Å; T347-M451 HydrophobicContact CG2-CE 3.63Å; T347-M451 HydrophobicContact CG2-CG 4.44Å; T347-M451 HydrophobicContact CG2-SD 4.26Å; T347-M451 PolarHBondContact N-O 2.82Å; T347-M451 WeakPolarHBondContact OG1-CB 3.26Å; T347-M451 PolarHBondContact OG1-N 2.8Å; V374-M451 WeakPolarHBondContact O-CB 3.34Å; C375-M451 WeakPolarHBondContact O-CG 3.26Å; C375-M451 VanDerWaalsContact O-SD 3.35Å; G378-M451 PolarHBondContact N-SD 3.14Å; G378-M451 VanDerWaalsContact N-SD 3.39Å; M451-W458 WeakPolarHBondContact CA-O 3.24Å; M451-W458 VanDerWaalsContact CG-O 3.31Å; M451-W458 WeakPolarHBondContact CG-O 3.46Å
452	L	93.7	Very high	90.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111.9	164.9	-69.4	81.6	0	0	0	107.4	W327 W346 P454 S455 W458 T460 P484 F522 V528	W327-L452 HydrophobicContact CD2-CD2 4.15Å; W327-L452 HydrophobicContact CE3-CB 4.47Å; W327-L452 HydrophobicContact CE3-CD2 4.31Å; W327-L452 HydrophobicContact CE3-CG 4.47Å; W327-L452 HydrophobicContact CG-CD2 4.39Å; W327-L452 HydrophobicContact CZ3-CB 4.23Å; W346-L452 HydrophobicContact CE3-CG 4.21Å; W346-L452 HydrophobicContact CH2-CD1 4.14Å; W346-L452 HydrophobicContact CH2-CD2 4.03Å; W346-L452 HydrophobicContact CH2-CG 3.75Å; W346-L452 HydrophobicContact CZ3-CD1 3.61Å; W346-L452 HydrophobicContact CZ3-CD2 4.25Å; W346-L452 HydrophobicContact CZ3-CG 3.46Å; W346-L452 VanDerWaalsContact CZ3-CG 3.46Å; L452-P454 CarbonylContact O-C 3.58Å; L452-S455 WeakPolarHBondContact O-CB 3.36Å; L452-S455 PolarHBondContact O-N 2.85Å; L452-S455 PolarHBondContact O-OG 2.9Å; L452-W458 PolarHBondContact N-O 2.73Å; L452-T460 HydrophobicContact CD1-CG2 4.3Å; L452-P484 HydrophobicContact CD2-CB 4.5Å; L452-F522 HydrophobicContact CD2-CE1 3.66Å; L452-F522 HydrophobicContact CD2-CZ 3.93Å; L452-V528 HydrophobicContact CD2-CB 4.08Å; L452-V528 HydrophobicContact CD2-CG1 4Å; L452-V528 HydrophobicContact CD2-CG2 4.21Å
453	G	90.2	Very high	90.9	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.3	179.8	0	0	0	0	0	112.3	W327 A343 L344 H345	W327-G453 VanDerWaalsContact CH2-O 3.25Å; W327-G453 WeakPolarHBondContact CH2-O 3.4Å; W327-G453 WeakPolarHBondContact CZ3-O 3.18Å; A343-G453 CarbonylContact O-C 3.59Å; L344-G453 CarbonylContact C-O 3.57Å; L344-G453 VanDerWaalsContact CA-O 3.27Å; L344-G453 WeakPolarHBondContact CA-O 3.43Å; H345-G453 PolarHBondContact N-O 3.46Å; H345-G453 PolarHBondContact O-N 3.24Å
454	P	90.2	Very high	91	Very high	20 Å²	20	4.5 Å²	4.5	13%	0.13	3%	0.031	C	C	.	.	S	Bend	cis	-75.7	143.4	-9.3	33.3	-32	0	0	0	111.3	P337 A343 L452 Y495 L496	P337-P454 HydrophobicContact CB-CG 4.41Å; P337-P454 HydrophobicContact CG-CG 3.96Å; A343-P454 WeakPolarHBondContact O-CD 3.48Å; L452-P454 CarbonylContact O-C 3.58Å; P454-Y495 CarbonylContact C-O 3.39Å; P454-L496 HydrophobicContact CB-CD2 3.64Å; P454-L496 HydrophobicContact CB-CG 4.23Å; P454-L496 HydrophobicContact CG-CD1 4.31Å; P454-L496 HydrophobicContact CG-CD2 3.73Å; P454-L496 HydrophobicContact CG-CG 3.83Å
455	S	91.8	Very high	91.2	Very high	15 Å²	15	5 Å²	5	11%	0.105	3%	0.033	C	C	.	.			trans	-153.5	167.6	166.5	68.7	0	0	0	0	109.7	L452 W458 Y495	L452-S455 WeakPolarHBondContact O-CB 3.36Å; L452-S455 PolarHBondContact O-N 2.85Å; L452-S455 PolarHBondContact O-OG 2.9Å; S455-W458 VanDerWaalsContact CB-CE3 3.46Å; S455-W458 WeakPolarHBondContact OG-CB 3.39Å; S455-W458 PolarHBondContact OG-N 2.79Å; S455-W458 PolarHBondContact OG-O 2.96Å; S455-Y495 WeakPolarHBondContact CA-O 3.49Å
456	P	90.2	Very high	91.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	4%	0.042	C	C	.	.	S	Bend	trans	-67.4	-48.9	175.9	-11.2	25.1	0	0	0	111.4	W458 R490 P497	P456-W458 HydrophobicContact CG-CZ2 4.1Å; P456-R490 HydrophobicContact CB-CB 4.28Å; P456-R490 WeakPolarHBondContact O-CD 3.46Å; P456-P497 HydrophobicContact CB-CG 4.4Å; P456-P497 HydrophobicContact CG-CG 4.04Å
457	N	92.8	Very high	90.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-162.4	27.3	-170.2	58.9	-11.7	0	0	0	112.5	C375 T376 D486 A487 A489 R490	C375-N457 CarbonylContact O-C 3.51Å; C375-N457 VanDerWaalsContact O-C 3.27Å; C375-N457 WeakPolarHBondContact O-CA 3.41Å; T376-N457 HydrophobicContact CG2-CB 3.73Å; N457-D486 PolarHBondContact ND2-OD1 2.91Å; N457-D486 PolarHBondContact OD1-OD1 2.95Å; N457-D486 PolarHBondContact OD1-OD2 2.84Å; N457-A487 HydrophobicContact CB-CB 4.39Å; N457-A487 WeakPolarHBondContact O-CB 3.48Å; N457-A487 PolarHBondContact O-N 3.42Å; N457-A489 HydrophobicContact CB-CB 4.32Å; N457-A489 PolarHBondContact ND2-N 2.8Å; N457-R490 HydrophobicContact CB-CB 4.15Å; N457-R490 PolarHBondContact ND2-N 2.9Å; N457-R490 PolarHBondContact ND2-O 2.86Å
458	W	94.5	Very high	90.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.6	-167.6	-55	-23.3	0	0	0	113.2	M451 L452 S455 P456 W485 D486 T494 Y495 I512 M517 P521 F522	M451-W458 WeakPolarHBondContact CA-O 3.24Å; M451-W458 VanDerWaalsContact CG-O 3.31Å; M451-W458 WeakPolarHBondContact CG-O 3.46Å; L452-W458 PolarHBondContact N-O 2.73Å; S455-W458 VanDerWaalsContact CB-CE3 3.46Å; S455-W458 WeakPolarHBondContact OG-CB 3.39Å; S455-W458 PolarHBondContact OG-N 2.79Å; S455-W458 PolarHBondContact OG-O 2.96Å; P456-W458 HydrophobicContact CG-CZ2 4.1Å; W458-W485 WeakPolarHBondContact CA-O 3.35Å; W458-D486 PolarHBondContact NE1-OD2 2.78Å; W458-T494 WeakPolarHBondContact CH2-O 3Å; W458-Y495 HydrophobicContact CE3-CD1 4.13Å; W458-Y495 HydrophobicContact CE3-CE1 4.31Å; W458-Y495 AromaticContact CZ3-CD1 3.64Å; W458-Y495 HydrophobicContact CZ3-CD1 3.64Å; W458-Y495 AromaticContact CZ3-CE1 3.89Å; W458-Y495 HydrophobicContact CZ3-CE1 3.89Å; W458-Y495 HydrophobicContact CZ3-CG 4.35Å; W458-I512 HydrophobicContact CB-CD1 4.4Å; W458-I512 HydrophobicContact CD2-CD1 3.86Å; W458-I512 HydrophobicContact CG-CD1 3.73Å; W458-M517 HydrophobicContact CZ2-CE 4.21Å; W458-M517 HydrophobicContact CZ2-SD 3.8Å; W458-P521 HydrophobicContact CH2-CG 3.78Å; W458-P521 HydrophobicContact CZ3-CG 3.65Å; W458-F522 AromaticContact CD2-CE2 3.94Å; W458-F522 HydrophobicContact CD2-CE2 3.94Å; W458-F522 HydrophobicContact CD2-CZ 4.24Å; W458-F522 AromaticContact CE3-CE2 3.42Å; W458-F522 HydrophobicContact CE3-CE2 3.42Å; W458-F522 VanDerWaalsContact CE3-CE2 3.42Å; W458-F522 AromaticContact CE3-CZ 3.45Å; W458-F522 HydrophobicContact CE3-CZ 3.45Å; W458-F522 VanDerWaalsContact CE3-CZ 3.45Å; W458-F522 HydrophobicContact CH2-CE2 4.11Å; W458-F522 AromaticContact CZ3-CE2 3.51Å; W458-F522 HydrophobicContact CZ3-CE2 3.51Å; W458-F522 AromaticContact CZ3-CZ 3.76Å; W458-F522 HydrophobicContact CZ3-CZ 3.76Å
459	C	95.5	Very high	89	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	167.3	-178.4	-92.4	0	0	0	0	111.7	C375 T450 P484 W485	C375-C459 WeakPolarHBondContact CA-SG 3.21Å; C375-C459 HydrophobicContact CB-CB 4.06Å; C375-C459 WeakPolarHBondContact CB-SG 3.48Å; C375-C459 WeakPolarHBondContact SG-CB 3.45Å; C375-C459 CovalentContact SG-SG 2.04Å; C375-C459 PolarHBondContact SG-SG 2.96Å; T450-C459 CarbonylContact O-C 3.49Å; T450-C459 VanDerWaalsContact O-CA 3.26Å; T450-C459 WeakPolarHBondContact O-CA 3.12Å; C459-P484 WeakPolarHBondContact O-CA 3.12Å; C459-W485 HydrophobicContact CB-CD2 3.89Å; C459-W485 HydrophobicContact CB-CE3 3.75Å; C459-W485 HydrophobicContact CB-CH2 3.34Å; C459-W485 HydrophobicContact CB-CZ2 3.46Å; C459-W485 VanDerWaalsContact CB-CZ2 3.46Å; C459-W485 HydrophobicContact CB-CZ3 3.49Å; C459-W485 VanDerWaalsContact CB-CZ3 3.49Å; C459-W485 PolarHBondContact N-O 3.35Å; C459-W485 PolarHBondContact O-N 2.99Å
460	T	94.4	Very high	87.5	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.9	163.4	-158.2	0	0	0	0	110.7	F323 W346 L449 T450 L452 L482 F483 V528 A529	F323-T460 HydrophobicContact CE2-CG2 4.1Å; F323-T460 HydrophobicContact CZ-CG2 4.44Å; W346-T460 HydrophobicContact CH2-CG2 4.04Å; W346-T460 HydrophobicContact CZ3-CG2 3.57Å; L449-T460 CarbonylContact C-O 3.5Å; L449-T460 WeakPolarHBondContact CA-O 3.24Å; T450-T460 HydrophobicContact CG2-CG2 4.08Å; T450-T460 PolarHBondContact N-O 3.45Å; T450-T460 PolarHBondContact O-N 2.88Å; L452-T460 HydrophobicContact CD1-CG2 4.3Å; T460-L482 HydrophobicContact CG2-CB 4.42Å; T460-L482 HydrophobicContact CG2-CD1 4.33Å; T460-L482 WeakPolarHBondContact OG1-CB 3Å; T460-F483 PolarHBondContact OG1-O 3.41Å; T460-V528 HydrophobicContact CG2-CG2 4.32Å; T460-A529 HydrophobicContact CG2-CB 4.47Å
461	G	92.1	Very high	85.9	Confident	11 Å²	11	18.5 Å²	18.5	11%	0.113	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-169.2	-178.2	0	0	0	0	0	113.7	Y361 F448	Y361-G461 PolarHBondContact OH-O 2.91Å; F448-G461 CarbonylContact O-C 3.57Å; F448-G461 VanDerWaalsContact O-CA 3.3Å; F448-G461 WeakPolarHBondContact O-CA 3.43Å
462	I	90	Very high	84.5	Confident	7 Å²	7	19.6 Å²	19.6	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.1	174.7	53.8	164.7	0	0	0	111.5	Y361 I446 S447 F448 Q465 I480 L482 L531 L533	Y361-I462 WeakPolarHBondContact CE1-O 3.3Å; Y361-I462 WeakPolarHBondContact OH-CA 3.44Å; Y361-I462 PolarHBondContact OH-N 2.8Å; Y361-I462 VanDerWaalsContact OH-N 3.07Å; Y361-I462 PolarHBondContact OH-O 2.97Å; I446-I462 HydrophobicContact CB-CD1 4.36Å; I446-I462 HydrophobicContact CG2-CD1 4.04Å; S447-I462 CarbonylContact C-O 3.6Å; S447-I462 VanDerWaalsContact CA-O 3.23Å; S447-I462 WeakPolarHBondContact CA-O 3.36Å; F448-I462 HydrophobicContact CD1-CD1 4.03Å; F448-I462 HydrophobicContact CD1-CG1 3.5Å; F448-I462 HydrophobicContact CE1-CD1 4.04Å; F448-I462 HydrophobicContact CE1-CG1 3.55Å; F448-I462 PolarHBondContact N-O 2.8Å; F448-I462 PolarHBondContact O-N 3.34Å; F448-I462 VanDerWaalsContact O-N 3.07Å; F448-I462 VanDerWaalsContact O-O 3.12Å; I462-Q465 HydrophobicContact CB-CB 4.37Å; I462-Q465 HydrophobicContact CD1-CB 3.73Å; I462-Q465 HydrophobicContact CD1-CG 4.28Å; I462-I480 HydrophobicContact CG2-CD1 4.08Å; I462-I480 HydrophobicContact CG2-CG2 4.27Å; I462-L482 HydrophobicContact CG2-CD2 3.92Å; I462-L531 HydrophobicContact CD1-CD2 3.55Å; I462-L531 HydrophobicContact CG1-CD2 4.02Å; I462-L531 HydrophobicContact CG2-CD2 3.81Å; I462-L533 HydrophobicContact CD1-CD1 4.47Å
463	S	86.6	Confident	83.5	Confident	19 Å²	19	20.3 Å²	20.3	13%	0.133	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124	176.3	142.2	0	0	0	0	109.4	Y361 Q465	Y361-S463 PolarHBondContact O-OG 3.46Å; Y361-S463 VanDerWaalsContact O-OG 3.14Å; S463-Q465 VanDerWaalsContact C-N 3.29Å; S463-Q465 PolarHBondContact O-N 3.12Å
464	S	81.6	Confident	82.7	Confident	6 Å²	6	20.4 Å²	20.4	4%	0.042	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.8	40.9	175	-58.5	0	0	0	0	113.8	V271 S447 S466	V271-S464 WeakPolarHBondContact CG2-O 3.25Å; S447-S464 PolarHBondContact OG-N 2.03Å; S464-S466 PolarHBondContact O-N 3Å
465	Q	83.8	Confident	82.4	Confident	13 Å²	13	19.5 Å²	19.5	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	110.5	177	-179.7	56.5	66.2	0	0	109.7	L445 I446 I462 S463 I480 L533	L445-Q465 CarbonylContact C-O 3.52Å; L445-Q465 WeakPolarHBondContact CA-O 3.34Å; I446-Q465 PolarHBondContact N-O 3.37Å; I446-Q465 PolarHBondContact O-N 2.77Å; I462-Q465 HydrophobicContact CB-CB 4.37Å; I462-Q465 HydrophobicContact CD1-CB 3.73Å; I462-Q465 HydrophobicContact CD1-CG 4.28Å; S463-Q465 VanDerWaalsContact C-N 3.29Å; S463-Q465 PolarHBondContact O-N 3.12Å; Q465-I480 HydrophobicContact CG-CD1 4.02Å; Q465-L533 HydrophobicContact CG-CD1 4.48Å
466	S	83.9	Confident	82	Confident	31 Å²	31	26.4 Å²	26.4	22%	0.217	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	139.3	171.1	-176.3	0	0	0	0	111	P444 S464 C468	P444-S466 WeakPolarHBondContact O-CA 3.29Å; S464-S466 PolarHBondContact O-N 3Å; S466-C468 PolarHBondContact OG-N 3.4Å; S466-C468 PolarHBondContact OG-O 3.11Å
467	V	84	Confident	81.9	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.173	C	C	.	.			trans	-115	2	167.1	-55	0	0	0	0	113	Y319 V439 P444 I446 W474 A475 I478 L533	Y319-V467 HydrophobicContact CD2-CG2 4.32Å; Y319-V467 HydrophobicContact CE1-CB 4.26Å; Y319-V467 HydrophobicContact CE1-CG1 4.43Å; Y319-V467 HydrophobicContact CE2-CB 4.03Å; Y319-V467 HydrophobicContact CE2-CG2 3.56Å; Y319-V467 WeakPolarHBondContact OH-CB 3.45Å; Y319-V467 PolarHBondContact OH-O 2.98Å; V439-V467 HydrophobicContact CB-CG2 4.12Å; V439-V467 HydrophobicContact CG1-CG2 3.81Å; V439-V467 HydrophobicContact CG2-CG2 3.67Å; P444-V467 PolarHBondContact O-N 3.23Å; I446-V467 HydrophobicContact CD1-CG1 3.69Å; I446-V467 HydrophobicContact CD1-CG2 4.35Å; I446-V467 HydrophobicContact CG1-CG1 4.45Å; V467-W474 HydrophobicContact CG2-CE3 4.13Å; V467-W474 HydrophobicContact CG2-CZ3 4.26Å; V467-A475 PolarHBondContact O-N 3.42Å; V467-I478 HydrophobicContact CB-CD1 4.33Å; V467-I478 HydrophobicContact CG1-CD1 3.9Å; V467-L533 HydrophobicContact CG1-CD1 4.25Å
468	C	78.3	Confident	81.5	Confident	15 Å²	15	30.5 Å²	30.5	10%	0.101	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-82.6	129.6	170.2	-170.7	0	0	0	0	109.3	M306 C311 P444 S466 W474	M306-C468 VanDerWaalsContact CE-SG 3.54Å; C311-C468 VanDerWaalsContact CA-SG 3.54Å; C311-C468 HydrophobicContact CB-CB 4Å; C311-C468 WeakPolarHBondContact CB-SG 3.42Å; C311-C468 WeakPolarHBondContact SG-CB 3.5Å; C311-C468 CovalentContact SG-SG 2.05Å; C311-C468 PolarHBondContact SG-SG 3.01Å; P444-C468 HydrophobicContact CB-CB 3.66Å; S466-C468 PolarHBondContact OG-N 3.4Å; S466-C468 PolarHBondContact OG-O 3.11Å; C468-W474 HydrophobicContact CB-CE3 4.27Å; C468-W474 HydrophobicContact CB-CH2 4.36Å; C468-W474 HydrophobicContact CB-CZ3 3.69Å
469	Q	69.8	Low	81.1	Confident	67 Å²	67	34.2 Å²	34.2	31%	0.313	19%	0.192	S	C	.	.			trans	-101.9	158.6	-178.8	-63.9	-159	5.1	0	0	112.5	M306 D471 C472 T473 A475	M306-Q469 WeakPolarHBondContact CE-O 3.18Å; Q469-D471 WeakPolarHBondContact CB-OD1 3.21Å; Q469-D471 PolarHBondContact O-N 2.83Å; Q469-C472 PolarHBondContact O-N 3.35Å; Q469-C472 VanDerWaalsContact O-N 3.11Å; Q469-T473 PolarHBondContact N-O 2.58Å; Q469-A475 HydrophobicContact CG-CB 4.12Å; Q469-A475 VanDerWaalsContact NE2-CA 3.3Å; Q469-A475 VanDerWaalsContact NE2-CB 3.31Å
470	A	62.3	Low	80.5	Confident	75 Å²	75	34.2 Å²	34.2	62%	0.62	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.9	-178.6	0	0	0	0	0	114.5	M306 C472	M306-A470 VanDerWaalsContact SD-CA 3.59Å; M306-A470 HydrophobicContact SD-CB 4.22Å; A470-C472 PolarHBondContact O-N 2.81Å
471	D	62.7	Low	80.3	Confident	97 Å²	97	35.4 Å²	35.4	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	12	171.5	65.9	-3.6	0	0	0	113	Q469 T473	Q469-D471 WeakPolarHBondContact CB-OD1 3.21Å; Q469-D471 PolarHBondContact O-N 2.83Å; D471-T473 VanDerWaalsContact CG-OG1 3.29Å; D471-T473 PolarHBondContact O-N 2.88Å; D471-T473 VanDerWaalsContact OD1-CB 3.31Å; D471-T473 WeakPolarHBondContact OD1-CB 3.31Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.4Å; D471-T473 PolarHBondContact OD1-N 3.04Å; D471-T473 PolarHBondContact OD1-OG1 3.04Å; D471-T473 PolarHBondContact OD2-OG1 3.04Å
472	C	66	Low	80.2	Confident	33 Å²	33	35 Å²	35	22%	0.223	19%	0.193	C	C	.	.	S	Bend	trans	59.8	27.4	-173.6	-49.9	0	0	0	0	114.2	C312 A313 Q469 A470 W542	C312-C472 HydrophobicContact CB-CB 3.94Å; C312-C472 WeakPolarHBondContact CB-SG 3.06Å; C312-C472 WeakPolarHBondContact SG-CA 3.38Å; C312-C472 WeakPolarHBondContact SG-CB 3.46Å; C312-C472 CovalentContact SG-SG 2.04Å; C312-C472 PolarHBondContact SG-SG 3.38Å; A313-C472 VanDerWaalsContact CA-O 3.3Å; A313-C472 WeakPolarHBondContact CA-O 3.37Å; Q469-C472 PolarHBondContact O-N 3.35Å; Q469-C472 VanDerWaalsContact O-N 3.11Å; A470-C472 PolarHBondContact O-N 2.81Å; C472-W542 WeakPolarHBondContact O-CH2 3.44Å; C472-W542 WeakPolarHBondContact O-CZ2 3.33Å
473	T	72.2	Confident	80.3	Confident	15 Å²	15	37.7 Å²	37.7	9%	0.092	21%	0.205	C	C	.	.			trans	-107.2	169.7	172.4	77.5	0	0	0	0	113.1	Q469 D471	Q469-T473 PolarHBondContact N-O 2.58Å; D471-T473 VanDerWaalsContact CG-OG1 3.29Å; D471-T473 PolarHBondContact O-N 2.88Å; D471-T473 VanDerWaalsContact OD1-CB 3.31Å; D471-T473 WeakPolarHBondContact OD1-CB 3.31Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.4Å; D471-T473 PolarHBondContact OD1-N 3.04Å; D471-T473 PolarHBondContact OD1-OG1 3.04Å; D471-T473 PolarHBondContact OD2-OG1 3.04Å
474	W	74.6	Confident	80.5	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-92.9	129.4	169.5	-65.4	123.1	0	0	0	109.8	A313 C314 A317 V439 N440 P444 V467 C468 K476 R535 W542	A313-W474 HydrophobicContact CB-CD2 3.97Å; A313-W474 HydrophobicContact CB-CE3 4.29Å; A313-W474 HydrophobicContact CB-CH2 3.92Å; A313-W474 HydrophobicContact CB-CZ2 3.57Å; A313-W474 HydrophobicContact CB-CZ3 4.29Å; C314-W474 PolarHBondContact O-NE1 3.29Å; A317-W474 HydrophobicContact CB-CB 3.8Å; A317-W474 VanDerWaalsContact CB-CD1 3.48Å; A317-W474 HydrophobicContact CB-CD2 3.83Å; A317-W474 HydrophobicContact CB-CE3 4.5Å; A317-W474 HydrophobicContact CB-CG 3.43Å; A317-W474 VanDerWaalsContact CB-CG 3.43Å; V439-W474 HydrophobicContact CB-CZ3 4.37Å; V439-W474 HydrophobicContact CG2-CD2 4.36Å; V439-W474 HydrophobicContact CG2-CE3 3.87Å; V439-W474 HydrophobicContact CG2-CH2 4.3Å; V439-W474 HydrophobicContact CG2-CZ3 3.82Å; N440-W474 WeakPolarHBondContact O-CH2 3.04Å; P444-W474 HydrophobicContact CB-CH2 4.49Å; P444-W474 HydrophobicContact CB-CZ3 4.26Å; V467-W474 HydrophobicContact CG2-CE3 4.13Å; V467-W474 HydrophobicContact CG2-CZ3 4.26Å; C468-W474 HydrophobicContact CB-CE3 4.27Å; C468-W474 HydrophobicContact CB-CH2 4.36Å; C468-W474 HydrophobicContact CB-CZ3 3.69Å; W474-K476 PolarHBondContact O-N 3.35Å; W474-R535 PolarHBondContact O-NH1 3.46Å; W474-W542 AromaticContact CD1-CE2 3.88Å; W474-W542 AromaticContact CD1-NE1 3.04Å; W474-W542 AromaticContact NE1-CE2 3.93Å; W474-W542 AromaticContact NE1-NE1 3.51Å
475	A	83.7	Confident	81	Confident	2 Å²	2	36.8 Å²	36.8	2%	0.017	20%	0.198	C	C	.	.			trans	-53.6	137.2	-179.7	0	0	0	0	0	113.4	Y319 V467 Q469 I478 R535	Y319-A475 WeakPolarHBondContact CE1-O 3.28Å; Y319-A475 PolarHBondContact OH-N 3.4Å; Y319-A475 PolarHBondContact OH-O 2.64Å; V467-A475 PolarHBondContact O-N 3.42Å; Q469-A475 HydrophobicContact CG-CB 4.12Å; Q469-A475 VanDerWaalsContact NE2-CA 3.3Å; Q469-A475 VanDerWaalsContact NE2-CB 3.31Å; A475-I478 HydrophobicContact CB-CD1 3.68Å; A475-I478 HydrophobicContact CB-CG1 3.99Å; A475-R535 WeakPolarHBondContact O-CB 3.49Å
476	K	84.1	Confident	81.4	Confident	160 Å²	160	36.4 Å²	36.4	70%	0.696	20%	0.196	S	C	*	.	S	Bend	trans	-78	-48.1	-176.8	-173.9	178.2	178.8	179.8	0	113.4	W474 R535	W474-K476 PolarHBondContact O-N 3.35Å; K476-R535 WeakPolarHBondContact O-CB 3.41Å; K476-R535 PolarHBondContact O-N 2.96Å
477	N	87.2	Confident	81.7	Confident	80 Å²	80	34.9 Å²	34.9	43%	0.428	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.6	174.8	-176.3	25.8	0	0	0	108.3	E479 L533	N477-E479 PolarHBondContact ND2-OE1 3.2Å; N477-L533 WeakPolarHBondContact CA-O 2.99Å; N477-L533 PolarHBondContact OD1-O 3.5Å
478	I	83.5	Confident	81.8	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.8	169.6	-66.1	165.7	0	0	0	107.3	V467 A475 I480 T532 L533	V467-I478 HydrophobicContact CB-CD1 4.33Å; V467-I478 HydrophobicContact CG1-CD1 3.9Å; A475-I478 HydrophobicContact CB-CD1 3.68Å; A475-I478 HydrophobicContact CB-CG1 3.99Å; I478-I480 HydrophobicContact CG2-CD1 3.77Å; I478-I480 HydrophobicContact CG2-CG1 3.76Å; I478-T532 CarbonylContact O-C 3.42Å; I478-T532 WeakPolarHBondContact O-CA 3.23Å; I478-L533 HydrophobicContact CB-CB 4.21Å; I478-L533 HydrophobicContact CB-CD1 4.47Å; I478-L533 PolarHBondContact N-O 2.81Å; I478-L533 VanDerWaalsContact N-O 3.08Å; I478-L533 PolarHBondContact O-N 2.86Å
479	E	87.2	Confident	82	Confident	78 Å²	78	34.1 Å²	34.1	36%	0.364	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.8	174.2	-59.8	-176.1	-165.3	0	0	108.8	N477 L531 T532	N477-E479 PolarHBondContact ND2-OE1 3.2Å; E479-L531 WeakPolarHBondContact CA-O 3.29Å; E479-T532 HydrophobicContact CG-CG2 3.97Å
480	I	83.4	Confident	82.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121	-175.9	-62.8	173.4	0	0	0	108.5	P268 I462 Q465 I478 L482 L531	P268-I480 HydrophobicContact CB-CG2 3.59Å; P268-I480 HydrophobicContact CG-CG2 4.11Å; I462-I480 HydrophobicContact CG2-CD1 4.08Å; I462-I480 HydrophobicContact CG2-CG2 4.27Å; Q465-I480 HydrophobicContact CG-CD1 4.02Å; I478-I480 HydrophobicContact CG2-CD1 3.77Å; I478-I480 HydrophobicContact CG2-CG1 3.76Å; I480-L482 HydrophobicContact CG2-CD2 3.91Å; I480-L531 HydrophobicContact CB-CB 4.3Å; I480-L531 HydrophobicContact CD1-CD2 4.38Å; I480-L531 PolarHBondContact N-O 3.49Å; I480-L531 PolarHBondContact O-N 2.62Å
481	D	88.9	Confident	83.5	Confident	25 Å²	25	32.7 Å²	32.7	13%	0.134	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.1	169.8	-63.4	-53.4	0	0	0	109.1	T265 P268 F483 P527 K530	T265-D481 PolarHBondContact OG1-OD2 3.46Å; P268-D481 WeakPolarHBondContact CD-O 3.27Å; D481-F483 HydrophobicContact CB-CE2 4.28Å; D481-P527 HydrophobicContact CB-CB 3.99Å; D481-P527 HydrophobicContact CB-CG 4.26Å; D481-K530 WeakPolarHBondContact OD1-CE 3.01Å; D481-K530 IonicContact OD1-NZ 2.73Å; D481-K530 PolarHBondContact OD1-NZ 2.94Å
482	L	90	Very high	84.5	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.4	-172.3	-58.1	179.9	0	0	0	111.3	F323 F448 T460 I462 I480 P527 V528 A529 L531	F323-L482 HydrophobicContact CD2-CD1 3.96Å; F323-L482 HydrophobicContact CE2-CD1 3.79Å; F448-L482 HydrophobicContact CZ-CD1 4.14Å; T460-L482 HydrophobicContact CG2-CB 4.42Å; T460-L482 HydrophobicContact CG2-CD1 4.33Å; T460-L482 WeakPolarHBondContact OG1-CB 3Å; I462-L482 HydrophobicContact CG2-CD2 3.92Å; I480-L482 HydrophobicContact CG2-CD2 3.91Å; L482-P527 CarbonylContact O-C 3.54Å; L482-P527 WeakPolarHBondContact O-CA 3.39Å; L482-P527 WeakPolarHBondContact O-CB 3.49Å; L482-V528 WeakPolarHBondContact O-CG2 3.46Å; L482-V528 PolarHBondContact O-N 3.5Å; L482-A529 WeakPolarHBondContact CA-O 3.38Å; L482-A529 HydrophobicContact CB-CB 4.15Å; L482-A529 WeakPolarHBondContact CB-O 3.33Å; L482-A529 HydrophobicContact CD1-CB 4.04Å; L482-A529 PolarHBondContact N-O 3.25Å; L482-A529 PolarHBondContact O-N 3.03Å; L482-L531 HydrophobicContact CD1-CB 4.16Å; L482-L531 HydrophobicContact CD2-CB 4.25Å; L482-L531 HydrophobicContact CG-CB 4.25Å
483	F	91.6	Very high	85.5	Confident	64 Å²	64	30.3 Å²	30.3	28%	0.281	15%	0.152	S	C	.	.			trans	-113.5	152.4	-179.7	-64.8	-82.4	0	0	0	111.1	T460 D481 F511 P527	T460-F483 PolarHBondContact OG1-O 3.41Å; D481-F483 HydrophobicContact CB-CE2 4.28Å; F483-F511 HydrophobicContact CB-CD1 4.16Å; F483-F511 HydrophobicContact CB-CE1 4.31Å; F483-P527 HydrophobicContact CE1-CB 4.15Å; F483-P527 HydrophobicContact CZ-CB 4.22Å
484	P	92.6	Very high	86.2	Confident	6 Å²	6	31 Å²	31	4%	0.039	16%	0.157	C	C	.	.			trans	-73.2	142.1	179.4	31.8	-34	0	0	0	110.7	L452 C459 I512 F522 V528	L452-P484 HydrophobicContact CD2-CB 4.5Å; C459-P484 WeakPolarHBondContact O-CA 3.12Å; P484-I512 HydrophobicContact CB-CD1 4.19Å; P484-I512 HydrophobicContact CG-CB 4.44Å; P484-I512 PolarHBondContact O-N 3.18Å; P484-F522 HydrophobicContact CB-CD1 4.4Å; P484-F522 HydrophobicContact CB-CD2 4.29Å; P484-F522 HydrophobicContact CB-CE1 4.04Å; P484-F522 HydrophobicContact CB-CE2 3.92Å; P484-F522 HydrophobicContact CB-CZ 3.78Å; P484-F522 HydrophobicContact CG-CB 4.35Å; P484-F522 HydrophobicContact CG-CD1 3.82Å; P484-F522 HydrophobicContact CG-CD2 3.76Å; P484-F522 HydrophobicContact CG-CE1 3.98Å; P484-F522 HydrophobicContact CG-CE2 3.92Å; P484-F522 HydrophobicContact CG-CG 3.71Å; P484-F522 HydrophobicContact CG-CZ 4.02Å; P484-V528 HydrophobicContact CB-CG1 4.4Å; P484-V528 HydrophobicContact CB-CG2 4.39Å; P484-V528 HydrophobicContact CG-CG1 4.06Å
485	W	91.5	Very high	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.9	175	52	-101.4	0	0	0	110.9	Y361 M363 V371 L449 W458 C459 A487 I509 R510 F511	Y361-W485 HydrophobicContact CD2-CH2 4.06Å; Y361-W485 AromaticContact CD2-CZ2 3.92Å; Y361-W485 HydrophobicContact CD2-CZ2 3.92Å; Y361-W485 HydrophobicContact CE1-CZ2 4.18Å; Y361-W485 AromaticContact CE2-CE2 3.73Å; Y361-W485 HydrophobicContact CE2-CH2 4.07Å; Y361-W485 AromaticContact CE2-CZ2 3.45Å; Y361-W485 HydrophobicContact CE2-CZ2 3.45Å; Y361-W485 VanDerWaalsContact CE2-CZ2 3.45Å; Y361-W485 HydrophobicContact CG-CH2 4.39Å; Y361-W485 HydrophobicContact CG-CZ2 4.45Å; Y361-W485 AromaticContact CZ-CZ2 3.58Å; M363-W485 HydrophobicContact CE-CB 3.77Å; M363-W485 HydrophobicContact CE-CD2 4.11Å; M363-W485 HydrophobicContact CE-CG 3.54Å; M363-W485 HydrophobicContact SD-CB 4.41Å; V371-W485 HydrophobicContact CG1-CH2 4.1Å; V371-W485 HydrophobicContact CG1-CZ3 4.3Å; L449-W485 HydrophobicContact CB-CH2 4.28Å; L449-W485 HydrophobicContact CB-CZ2 3.93Å; L449-W485 HydrophobicContact CD1-CH2 4.19Å; W458-W485 WeakPolarHBondContact CA-O 3.35Å; C459-W485 HydrophobicContact CB-CD2 3.89Å; C459-W485 HydrophobicContact CB-CE3 3.75Å; C459-W485 HydrophobicContact CB-CH2 3.34Å; C459-W485 HydrophobicContact CB-CZ2 3.46Å; C459-W485 VanDerWaalsContact CB-CZ2 3.46Å; C459-W485 HydrophobicContact CB-CZ3 3.49Å; C459-W485 VanDerWaalsContact CB-CZ3 3.49Å; C459-W485 PolarHBondContact N-O 3.35Å; C459-W485 PolarHBondContact O-N 2.99Å; W485-A487 HydrophobicContact CZ3-CB 4.13Å; W485-I509 HydrophobicContact CD2-CG2 4.1Å; W485-I509 HydrophobicContact CE3-CG2 3.52Å; W485-I509 HydrophobicContact CZ3-CG2 3.94Å; W485-R510 CarbonylContact C-O 3.54Å; W485-R510 VanDerWaalsContact CA-O 3.22Å; W485-R510 WeakPolarHBondContact CA-O 3.06Å; W485-R510 VanDerWaalsContact CB-O 3.23Å; W485-R510 WeakPolarHBondContact CB-O 3.22Å; W485-F511 HydrophobicContact CB-CD1 4.11Å
486	D	92.7	Very high	86.9	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.5	-178.4	-168.6	-59.9	0	0	0	109.4	N457 W458 G488 I509 R510 I512 W516	N457-D486 PolarHBondContact ND2-OD1 2.91Å; N457-D486 PolarHBondContact OD1-OD1 2.95Å; N457-D486 PolarHBondContact OD1-OD2 2.84Å; W458-D486 PolarHBondContact NE1-OD2 2.78Å; D486-G488 PolarHBondContact O-N 3.24Å; D486-G488 WeakPolarHBondContact OD1-CA 3.29Å; D486-G488 PolarHBondContact OD1-N 2.97Å; D486-I509 WeakPolarHBondContact O-CA 3.37Å; D486-R510 PolarHBondContact N-O 2.9Å; D486-R510 PolarHBondContact O-N 3.22Å; D486-I512 HydrophobicContact CB-CD1 4.46Å; D486-I512 HydrophobicContact CB-CG1 4.17Å; D486-W516 HydrophobicContact CB-CH2 3.78Å; D486-W516 HydrophobicContact CB-CZ3 3.8Å
487	A	90	Very high	86.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.			trans	-78.6	1	-179.4	0	0	0	0	0	114.3	A367 C375 N457 W485 A489	A367-A487 HydrophobicContact CB-CB 4.35Å; A367-A487 WeakPolarHBondContact CB-O 3.16Å; C375-A487 HydrophobicContact CB-CB 3.65Å; N457-A487 HydrophobicContact CB-CB 4.39Å; N457-A487 WeakPolarHBondContact O-CB 3.48Å; N457-A487 PolarHBondContact O-N 3.42Å; W485-A487 HydrophobicContact CZ3-CB 4.13Å; A487-A489 PolarHBondContact O-N 3.14Å
488	G	85.7	Confident	85.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	70.3	6.1	179.2	0	0	0	0	0	115.5	D486 K503 P506 E507	D486-G488 PolarHBondContact O-N 3.24Å; D486-G488 WeakPolarHBondContact OD1-CA 3.29Å; D486-G488 PolarHBondContact OD1-N 2.97Å; G488-K503 WeakPolarHBondContact O-CD 3.26Å; G488-P506 CarbonylContact O-C 3.51Å; G488-P506 VanDerWaalsContact O-CA 3.31Å; G488-P506 WeakPolarHBondContact O-CA 3.38Å; G488-E507 PolarHBondContact O-N 3.39Å
489	A	81.5	Confident	83.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-91.9	-23.9	-166.5	0	0	0	0	0	115.7	Q372 T376 N457 A487 K503	Q372-A489 HydrophobicContact CG-CB 3.69Å; T376-A489 HydrophobicContact CG2-CB 3.62Å; N457-A489 HydrophobicContact CB-CB 4.32Å; N457-A489 PolarHBondContact ND2-N 2.8Å; A487-A489 PolarHBondContact O-N 3.14Å; A489-K503 PolarHBondContact O-N 2.97Å
490	R	83.7	Confident	82.7	Confident	35 Å²	35	39 Å²	39	13%	0.132	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-139.4	159.4	-177.5	-82	171.6	167.3	177.3	-0.6	111.8	T376 Y377 P456 N457 N502 K503	T376-R490 HydrophobicContact CG2-CG 4.28Å; T376-R490 PolarHBondContact O-NH1 2.75Å; Y377-R490 PolarHBondContact OH-NH2 2.89Å; Y377-R490 VanDerWaalsContact OH-NH2 3.13Å; P456-R490 HydrophobicContact CB-CB 4.28Å; P456-R490 WeakPolarHBondContact O-CD 3.46Å; N457-R490 HydrophobicContact CB-CB 4.15Å; N457-R490 PolarHBondContact ND2-N 2.9Å; N457-R490 PolarHBondContact ND2-O 2.86Å; R490-N502 WeakPolarHBondContact CG-OD1 3.32Å; R490-N502 PolarHBondContact NE-OD1 3.21Å; R490-K503 WeakPolarHBondContact O-CE 3.47Å
491	N	81.4	Confident	81.8	Confident	78 Å²	78	43.8 Å²	43.8	42%	0.417	23%	0.229	S	C	.	.			trans	-81.4	143.7	167.7	-66.8	-54.8	0	0	0	111.2	S500 D501 K503	N491-S500 WeakPolarHBondContact O-CA 3.38Å; N491-D501 PolarHBondContact N-O 3.05Å; N491-D501 VanDerWaalsContact N-O 3.11Å; N491-K503 WeakPolarHBondContact OD1-CE 3.29Å
492	G	83.9	Confident	80.9	Confident	21 Å²	21	46.5 Å²	46.5	22%	0.216	24%	0.244	C	C	.	.			trans	153	138	171.9	0	0	0	0	0	112.6	M517	G492-M517 WeakPolarHBondContact O-CE 3.47Å
493	D	85.8	Confident	79.8	Confident	58 Å²	58	48 Å²	48	31%	0.31	25%	0.251	S	S	.	.	S	Bend	trans	-117.6	3.1	-178.3	62.7	-14.3	0	0	0	113.5	M517 N519 S520 P521	D493-M517 HydrophobicContact CB-CG 4.12Å; D493-M517 HydrophobicContact CB-SD 4.24Å; D493-N519 HydrophobicContact CB-CB 3.98Å; D493-N519 WeakPolarHBondContact OD2-CB 3.36Å; D493-N519 PolarHBondContact OD2-ND2 3.49Å; D493-S520 WeakPolarHBondContact O-CA 3.46Å; D493-P521 WeakPolarHBondContact O-CD 3.41Å
494	T	88	Confident	78.2	Confident	31 Å²	31	51.1 Å²	51.1	19%	0.19	27%	0.27	C	S	.	.	S	Bend	trans	-135.7	164.5	-179.2	51.1	0	0	0	0	110.4	W458 L496 P497	W458-T494 WeakPolarHBondContact CH2-O 3Å; T494-L496 VanDerWaalsContact C-N 3.26Å; T494-L496 PolarHBondContact O-N 2.76Å; T494-P497 WeakPolarHBondContact O-CD 3.34Å
495	Y	88.2	Confident	76.8	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.28	C	S	.	.	S	Bend	trans	-60.2	-34	-179.7	-64.4	-60.8	0	0	0	113.6	W327 D335 P337 P454 S455 W458 P521 F522	W327-Y495 AromaticContact CE2-CE1 3.71Å; W327-Y495 AromaticContact CE2-CZ 3.81Å; W327-Y495 HydrophobicContact CH2-CD1 4.4Å; W327-Y495 HydrophobicContact CH2-CE1 4.35Å; W327-Y495 AromaticContact CZ2-CD1 3.68Å; W327-Y495 HydrophobicContact CZ2-CD1 3.68Å; W327-Y495 AromaticContact CZ2-CE1 3.33Å; W327-Y495 HydrophobicContact CZ2-CE1 3.33Å; W327-Y495 HydrophobicContact CZ2-CE2 4.33Å; W327-Y495 HydrophobicContact CZ2-CG 4.38Å; W327-Y495 AromaticContact CZ2-CZ 3.71Å; W327-Y495 AromaticContact NE1-CE1 3.66Å; W327-Y495 AromaticContact NE1-CZ 3.34Å; W327-Y495 VanDerWaalsContact NE1-CZ 3.34Å; W327-Y495 PolarHBondContact NE1-OH 3.19Å; D335-Y495 WeakPolarHBondContact O-CD2 3.31Å; P337-Y495 HydrophobicContact CG-CD2 4.19Å; P337-Y495 HydrophobicContact CG-CG 4.21Å; P454-Y495 CarbonylContact C-O 3.39Å; S455-Y495 WeakPolarHBondContact CA-O 3.49Å; W458-Y495 HydrophobicContact CE3-CD1 4.13Å; W458-Y495 HydrophobicContact CE3-CE1 4.31Å; W458-Y495 AromaticContact CZ3-CD1 3.64Å; W458-Y495 HydrophobicContact CZ3-CD1 3.64Å; W458-Y495 AromaticContact CZ3-CE1 3.89Å; W458-Y495 HydrophobicContact CZ3-CE1 3.89Å; W458-Y495 HydrophobicContact CZ3-CG 4.35Å; Y495-P521 HydrophobicContact CD1-CG 4.08Å; Y495-P521 HydrophobicContact CD2-CB 3.84Å; Y495-P521 HydrophobicContact CD2-CG 3.86Å; Y495-P521 HydrophobicContact CE1-CB 4.42Å; Y495-P521 HydrophobicContact CE1-CG 3.7Å; Y495-P521 HydrophobicContact CE2-CB 3.33Å; Y495-P521 HydrophobicContact CE2-CG 3.52Å; Y495-P521 HydrophobicContact CG-CG 4.12Å; Y495-F522 AromaticContact CE1-CE1 3.76Å; Y495-F522 HydrophobicContact CE1-CE1 3.76Å; Y495-F522 AromaticContact CE1-CZ 3.75Å; Y495-F522 HydrophobicContact CE1-CZ 3.75Å; Y495-F522 WeakPolarHBondContact OH-CE1 3.27Å
496	L	83.6	Confident	75.8	Confident	96 Å²	96	55 Å²	55	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-130.4	74.8	-178.2	-72.2	169.4	0	0	0	109	P337 P454 T494	P337-L496 HydrophobicContact CB-CD1 3.99Å; P337-L496 HydrophobicContact CG-CD1 4.23Å; P454-L496 HydrophobicContact CB-CD2 3.64Å; P454-L496 HydrophobicContact CB-CG 4.23Å; P454-L496 HydrophobicContact CG-CD1 4.31Å; P454-L496 HydrophobicContact CG-CD2 3.73Å; P454-L496 HydrophobicContact CG-CG 3.83Å; T494-L496 VanDerWaalsContact C-N 3.26Å; T494-L496 PolarHBondContact O-N 2.76Å
497	P	69.6	Low	75	Confident	28 Å²	28	57.1 Å²	57.1	18%	0.182	30%	0.304	C	S	.	.			trans	-66.6	149.5	179.3	33.8	-40.2	0	0	0	110.4	P456 T494 N499	P456-P497 HydrophobicContact CB-CG 4.4Å; P456-P497 HydrophobicContact CG-CG 4.04Å; T494-P497 WeakPolarHBondContact O-CD 3.34Å; P497-N499 VanDerWaalsContact C-N 3.33Å; P497-N499 PolarHBondContact O-N 3.35Å
498	K	65.5	Low	74.4	Confident	212 Å²	212	59.6 Å²	59.6	92%	0.922	32%	0.32	S	S	*	.	S	Bend	trans	-65.2	-38	178	-66.8	-178.4	-179.7	177.6	0	112.5
499	N	58	Low	74.1	Confident	112 Å²	112	59.7 Å²	59.7	60%	0.599	32%	0.321	S	S	*	.			trans	-126.9	127.7	171.2	-65.4	25.2	0	0	0	107.9	P497	P497-N499 VanDerWaalsContact C-N 3.33Å; P497-N499 PolarHBondContact O-N 3.35Å
500	S	61.4	Low	74.1	Confident	45 Å²	45	63.6 Å²	63.6	32%	0.315	34%	0.335	S	S	.	.			trans	-122.2	50.7	174.2	65.6	0	0	0	0	111.1	N491	N491-S500 WeakPolarHBondContact O-CA 3.38Å
501	D	63.7	Low	74.2	Confident	101 Å²	101	65.5 Å²	65.5	54%	0.54	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.3	-178.4	-57.6	-42.8	0	0	0	110	N491 K503	N491-D501 PolarHBondContact N-O 3.05Å; N491-D501 VanDerWaalsContact N-O 3.11Å; D501-K503 PolarHBondContact O-N 3.47Å
502	N	70.8	Confident	74.4	Confident	82 Å²	82	62.8 Å²	62.8	44%	0.439	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-60.9	136.2	174.3	-65	-27.9	0	0	0	108.6	R490	R490-N502 WeakPolarHBondContact CG-OD1 3.32Å; R490-N502 PolarHBondContact NE-OD1 3.21Å
503	K	66.4	Low	74.3	Confident	35 Å²	35	65 Å²	65	15%	0.152	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-73.3	128.9	170.5	-67.9	-175.5	179.3	-178.3	0	108.3	G488 A489 R490 N491 D501 V505 E507	G488-K503 WeakPolarHBondContact O-CD 3.26Å; A489-K503 PolarHBondContact O-N 2.97Å; R490-K503 WeakPolarHBondContact O-CE 3.47Å; N491-K503 WeakPolarHBondContact OD1-CE 3.29Å; D501-K503 PolarHBondContact O-N 3.47Å; K503-V505 PolarHBondContact O-N 3.02Å; K503-E507 HydrophobicContact CD-CG 4.48Å; K503-E507 IonicContact NZ-OE1 3.66Å; K503-E507 PolarHBondContact NZ-OE1 2.75Å; K503-E507 IonicContact NZ-OE2 3.58Å; K503-E507 PolarHBondContact NZ-OE2 2.99Å
504	D	58.4	Low	73.8	Confident	128 Å²	128	68.9 Å²	68.9	68%	0.684	35%	0.349	S	S	*	.	S	Bend	trans	-59.7	-32	179.2	-57.5	-64.5	0	0	0	112.7	P978	D504-P978 HydrophobicContact CB-CG 3.51Å; D504-P978 VanDerWaalsContact CG-CG 3.44Å
505	V	63.7	Low	73.1	Confident	43 Å²	43	74.7 Å²	74.7	26%	0.261	38%	0.379	S	S	.	.	S	Bend	trans	-122.4	112.8	172.1	-179.1	0	0	0	0	108.1	K503 E507	K503-V505 PolarHBondContact O-N 3.02Å; V505-E507 PolarHBondContact O-N 3.26Å
506	P	69.5	Low	72.7	Confident	44 Å²	44	78.6 Å²	78.6	29%	0.286	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-58.8	132.5	175.8	-26.1	35.1	0	0	0	112.1	G488	G488-P506 CarbonylContact O-C 3.51Å; G488-P506 VanDerWaalsContact O-CA 3.31Å; G488-P506 WeakPolarHBondContact O-CA 3.38Å
507	E	77.2	Confident	72.7	Confident	50 Å²	50	74.8 Å²	74.8	23%	0.234	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-76.8	159.1	173	-81.9	166.8	-150	0	0	112.1	G488 K503 V505 I509	G488-E507 PolarHBondContact O-N 3.39Å; K503-E507 HydrophobicContact CD-CG 4.48Å; K503-E507 IonicContact NZ-OE1 3.66Å; K503-E507 PolarHBondContact NZ-OE1 2.75Å; K503-E507 IonicContact NZ-OE2 3.58Å; K503-E507 PolarHBondContact NZ-OE2 2.99Å; V505-E507 PolarHBondContact O-N 3.26Å; E507-I509 PolarHBondContact O-N 3.28Å
508	P	76.8	Confident	73.3	Confident	52 Å²	52	77.8 Å²	77.8	34%	0.338	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-60.9	134.9	171.3	-24.3	34.5	0	0	0	112.6	R510	P508-R510 PolarHBondContact O-N 2.82Å; P508-R510 PolarHBondContact O-NE 3.46Å
509	I	78.6	Confident	74.2	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-55.9	132.7	177	-62.2	166.3	0	0	0	109.8	Y361 M363 G364 E365 A367 V371 W485 D486 E507	Y361-I509 HydrophobicContact CD2-CD1 4.37Å; M363-I509 HydrophobicContact CE-CG2 4.27Å; M363-I509 HydrophobicContact SD-CG2 3.78Å; G364-I509 PolarHBondContact N-O 3.17Å; E365-I509 VanDerWaalsContact O-CG1 3.31Å; E365-I509 WeakPolarHBondContact O-CG1 3.24Å; E365-I509 PolarHBondContact O-N 3.44Å; A367-I509 HydrophobicContact CB-CD1 4.11Å; A367-I509 HydrophobicContact CB-CG1 4.18Å; V371-I509 HydrophobicContact CG1-CD1 4.33Å; W485-I509 HydrophobicContact CD2-CG2 4.1Å; W485-I509 HydrophobicContact CE3-CG2 3.52Å; W485-I509 HydrophobicContact CZ3-CG2 3.94Å; D486-I509 WeakPolarHBondContact O-CA 3.37Å; E507-I509 PolarHBondContact O-N 3.28Å
510	R	82.5	Confident	75.7	Confident	82 Å²	82	67.5 Å²	67.5	31%	0.309	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.5	-178.2	65.2	-172.5	70.1	-170.3	2.6	112.5	W485 D486 P508 W516	W485-R510 CarbonylContact C-O 3.54Å; W485-R510 VanDerWaalsContact CA-O 3.22Å; W485-R510 WeakPolarHBondContact CA-O 3.06Å; W485-R510 VanDerWaalsContact CB-O 3.23Å; W485-R510 WeakPolarHBondContact CB-O 3.22Å; D486-R510 PolarHBondContact N-O 2.9Å; D486-R510 PolarHBondContact O-N 3.22Å; P508-R510 PolarHBondContact O-N 2.82Å; P508-R510 PolarHBondContact O-NE 3.46Å; R510-W516 VanDerWaalsContact CD-CE2 3.45Å; R510-W516 HydrophobicContact CG-CD2 4.39Å; R510-W516 HydrophobicContact CG-CE3 4.17Å; R510-W516 HydrophobicContact CG-CH2 4.27Å; R510-W516 HydrophobicContact CG-CZ2 4.49Å; R510-W516 HydrophobicContact CG-CZ3 4.1Å; R510-W516 VanDerWaalsContact NH1-NE1 3.12Å
511	F	86.6	Confident	77.1	Confident	75 Å²	75	65.3 Å²	65.3	33%	0.329	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	144.3	169.1	-70.2	-72.7	0	0	0	111.5	M363 F483 W485 T513	M363-F511 HydrophobicContact CE-CD1 4.25Å; M363-F511 HydrophobicContact CE-CD2 4.33Å; M363-F511 HydrophobicContact CE-CE1 3.8Å; M363-F511 HydrophobicContact CE-CE2 3.89Å; M363-F511 HydrophobicContact CE-CZ 3.61Å; M363-F511 HydrophobicContact CG-CD2 4.45Å; M363-F511 HydrophobicContact CG-CE2 3.94Å; M363-F511 HydrophobicContact CG-CZ 4.45Å; M363-F511 HydrophobicContact SD-CD2 4.05Å; M363-F511 HydrophobicContact SD-CE2 3.95Å; M363-F511 HydrophobicContact SD-CG 4.5Å; M363-F511 HydrophobicContact SD-CZ 4.3Å; F483-F511 HydrophobicContact CB-CD1 4.16Å; F483-F511 HydrophobicContact CB-CE1 4.31Å; W485-F511 HydrophobicContact CB-CD1 4.11Å; F511-T513 PolarHBondContact O-N 2.74Å
512	I	85.5	Confident	78.5	Confident	20 Å²	20	61.3 Å²	61.3	10%	0.103	31%	0.312	C	S	.	.			trans	-80.8	104.1	175.3	-55.6	-178.9	0	0	0	107.9	W458 P484 D486 W516 M517 F522	W458-I512 HydrophobicContact CB-CD1 4.4Å; W458-I512 HydrophobicContact CD2-CD1 3.86Å; W458-I512 HydrophobicContact CG-CD1 3.73Å; P484-I512 HydrophobicContact CB-CD1 4.19Å; P484-I512 HydrophobicContact CG-CB 4.44Å; P484-I512 PolarHBondContact O-N 3.18Å; D486-I512 HydrophobicContact CB-CD1 4.46Å; D486-I512 HydrophobicContact CB-CG1 4.17Å; I512-W516 HydrophobicContact CG1-CZ3 4.36Å; I512-M517 HydrophobicContact CG2-CB 4.03Å; I512-M517 HydrophobicContact CG2-CG 4.5Å; I512-M517 HydrophobicContact CG2-SD 3.87Å; I512-F522 HydrophobicContact CD1-CD2 4.19Å; I512-F522 HydrophobicContact CD1-CE2 3.71Å; I512-F522 HydrophobicContact CG2-CD2 4.18Å
513	T	80.8	Confident	79.4	Confident	67 Å²	67	59.8 Å²	59.8	41%	0.411	31%	0.306	S	S	.	.			trans	-108.3	156	175.8	67.1	0	0	0	0	110.9	F511 D515 W516 M517	F511-T513 PolarHBondContact O-N 2.74Å; T513-D515 PolarHBondContact O-N 3.29Å; T513-W516 PolarHBondContact O-N 3.24Å; T513-W516 PolarHBondContact OG1-N 3.42Å; T513-M517 PolarHBondContact O-N 3.35Å
514	R	75.9	Confident	80.2	Confident	140 Å²	140	62 Å²	62	53%	0.528	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.3	177.9	-174.7	179.3	179.7	179.7	-3.7	113	E128 P518 P524	E128-R514 IonicContact OE1-CZ 2.82Å; E128-R514 IonicContact OE1-NH1 3.61Å; E128-R514 PolarHBondContact OE1-NH1 3.07Å; R514-P518 VanDerWaalsContact O-CA 3.27Å; R514-P518 WeakPolarHBondContact O-CA 3.35Å; R514-P518 WeakPolarHBondContact O-CG 3.32Å; R514-P524 HydrophobicContact CB-CG 4.34Å
515	D	73.8	Confident	81.3	Confident	153 Å²	153	59.3 Å²	59.3	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-33	-179.7	-53.3	-47	0	0	0	112.2	T513	T513-D515 PolarHBondContact O-N 3.29Å
516	W	78	Confident	82.4	Confident	83 Å²	83	59.4 Å²	59.4	31%	0.314	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-38.8	179.6	177.7	63.9	0	0	0	113.2	D486 R510 I512 T513	D486-W516 HydrophobicContact CB-CH2 3.78Å; D486-W516 HydrophobicContact CB-CZ3 3.8Å; R510-W516 VanDerWaalsContact CD-CE2 3.45Å; R510-W516 HydrophobicContact CG-CD2 4.39Å; R510-W516 HydrophobicContact CG-CE3 4.17Å; R510-W516 HydrophobicContact CG-CH2 4.27Å; R510-W516 HydrophobicContact CG-CZ2 4.49Å; R510-W516 HydrophobicContact CG-CZ3 4.1Å; R510-W516 VanDerWaalsContact NH1-NE1 3.12Å; I512-W516 HydrophobicContact CG1-CZ3 4.36Å; T513-W516 PolarHBondContact O-N 3.24Å; T513-W516 PolarHBondContact OG1-N 3.42Å
517	M	84	Confident	83.5	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.079	32%	0.319	C	S	.	.			trans	-128.8	78.2	177.8	-168.7	-175.8	-81.8	0	0	110.3	W458 G492 D493 I512 T513 N519 S520	W458-M517 HydrophobicContact CZ2-CE 4.21Å; W458-M517 HydrophobicContact CZ2-SD 3.8Å; G492-M517 WeakPolarHBondContact O-CE 3.47Å; D493-M517 HydrophobicContact CB-CG 4.12Å; D493-M517 HydrophobicContact CB-SD 4.24Å; I512-M517 HydrophobicContact CG2-CB 4.03Å; I512-M517 HydrophobicContact CG2-CG 4.5Å; I512-M517 HydrophobicContact CG2-SD 3.87Å; T513-M517 PolarHBondContact O-N 3.35Å; M517-N519 PolarHBondContact O-N 3.24Å; M517-S520 VanDerWaalsContact O-CB 3.26Å; M517-S520 WeakPolarHBondContact O-CB 3.44Å; M517-S520 PolarHBondContact O-N 3.36Å; M517-S520 PolarHBondContact O-OG 3.39Å
518	P	82.8	Confident	84.3	Confident	92 Å²	92	55.8 Å²	55.8	60%	0.597	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.2	-177.6	-23.5	33.4	0	0	0	113.8	R514 S520	R514-P518 VanDerWaalsContact O-CA 3.27Å; R514-P518 WeakPolarHBondContact O-CA 3.35Å; R514-P518 WeakPolarHBondContact O-CG 3.32Å; P518-S520 VanDerWaalsContact C-N 3.33Å
519	N	85	Confident	85.1	Confident	95 Å²	95	53.3 Å²	53.3	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.7	177.9	-76.1	-5.5	0	0	0	114.1	K334 D493 M517	K334-N519 WeakPolarHBondContact CE-O 3.42Å; K334-N519 PolarHBondContact NZ-O 2.85Å; D493-N519 HydrophobicContact CB-CB 3.98Å; D493-N519 WeakPolarHBondContact OD2-CB 3.36Å; D493-N519 PolarHBondContact OD2-ND2 3.49Å; M517-N519 PolarHBondContact O-N 3.24Å
520	S	89	Confident	85.8	Confident	12 Å²	12	55.7 Å²	55.7	8%	0.084	30%	0.302	C	S	.	.			trans	-53.2	144.9	-179.4	54.2	0	0	0	0	112.5	K334 D493 M517 P518 F522	K334-S520 WeakPolarHBondContact CE-O 3.19Å; K334-S520 PolarHBondContact NZ-O 3.32Å; D493-S520 WeakPolarHBondContact O-CA 3.46Å; M517-S520 VanDerWaalsContact O-CB 3.26Å; M517-S520 WeakPolarHBondContact O-CB 3.44Å; M517-S520 PolarHBondContact O-N 3.36Å; M517-S520 PolarHBondContact O-OG 3.39Å; P518-S520 VanDerWaalsContact C-N 3.33Å; S520-F522 PolarHBondContact O-N 3.2Å
521	P	91.4	Very high	86.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-77.5	-8.7	177.8	32.1	-36.2	0	0	0	112.6	K334 D335 W458 D493 Y495	K334-P521 VanDerWaalsContact O-CB 3.28Å; K334-P521 WeakPolarHBondContact O-CB 3.38Å; D335-P521 HydrophobicContact CB-CB 4.28Å; W458-P521 HydrophobicContact CH2-CG 3.78Å; W458-P521 HydrophobicContact CZ3-CG 3.65Å; D493-P521 WeakPolarHBondContact O-CD 3.41Å; Y495-P521 HydrophobicContact CD1-CG 4.08Å; Y495-P521 HydrophobicContact CD2-CB 3.84Å; Y495-P521 HydrophobicContact CD2-CG 3.86Å; Y495-P521 HydrophobicContact CE1-CB 4.42Å; Y495-P521 HydrophobicContact CE1-CG 3.7Å; Y495-P521 HydrophobicContact CE2-CB 3.33Å; Y495-P521 HydrophobicContact CE2-CG 3.52Å; Y495-P521 HydrophobicContact CG-CG 4.12Å
522	F	92.2	Very high	86.6	Confident	16 Å²	16	49.7 Å²	49.7	7%	0.07	28%	0.28	C	S	.	.	S	Bend	trans	-80.1	132.6	-173.8	-58.1	-73.4	0	0	0	112.4	H332 L452 W458 P484 Y495 I512 S520 P524 V528	H332-F522 AromaticContact CD2-CD1 3.76Å; L452-F522 HydrophobicContact CD2-CE1 3.66Å; L452-F522 HydrophobicContact CD2-CZ 3.93Å; W458-F522 AromaticContact CD2-CE2 3.94Å; W458-F522 HydrophobicContact CD2-CE2 3.94Å; W458-F522 HydrophobicContact CD2-CZ 4.24Å; W458-F522 AromaticContact CE3-CE2 3.42Å; W458-F522 HydrophobicContact CE3-CE2 3.42Å; W458-F522 VanDerWaalsContact CE3-CE2 3.42Å; W458-F522 AromaticContact CE3-CZ 3.45Å; W458-F522 HydrophobicContact CE3-CZ 3.45Å; W458-F522 VanDerWaalsContact CE3-CZ 3.45Å; W458-F522 HydrophobicContact CH2-CE2 4.11Å; W458-F522 AromaticContact CZ3-CE2 3.51Å; W458-F522 HydrophobicContact CZ3-CE2 3.51Å; W458-F522 AromaticContact CZ3-CZ 3.76Å; W458-F522 HydrophobicContact CZ3-CZ 3.76Å; P484-F522 HydrophobicContact CB-CD1 4.4Å; P484-F522 HydrophobicContact CB-CD2 4.29Å; P484-F522 HydrophobicContact CB-CE1 4.04Å; P484-F522 HydrophobicContact CB-CE2 3.92Å; P484-F522 HydrophobicContact CB-CZ 3.78Å; P484-F522 HydrophobicContact CG-CB 4.35Å; P484-F522 HydrophobicContact CG-CD1 3.82Å; P484-F522 HydrophobicContact CG-CD2 3.76Å; P484-F522 HydrophobicContact CG-CE1 3.98Å; P484-F522 HydrophobicContact CG-CE2 3.92Å; P484-F522 HydrophobicContact CG-CG 3.71Å; P484-F522 HydrophobicContact CG-CZ 4.02Å; Y495-F522 AromaticContact CE1-CE1 3.76Å; Y495-F522 HydrophobicContact CE1-CE1 3.76Å; Y495-F522 AromaticContact CE1-CZ 3.75Å; Y495-F522 HydrophobicContact CE1-CZ 3.75Å; Y495-F522 WeakPolarHBondContact OH-CE1 3.27Å; I512-F522 HydrophobicContact CD1-CD2 4.19Å; I512-F522 HydrophobicContact CD1-CE2 3.71Å; I512-F522 HydrophobicContact CG2-CD2 4.18Å; S520-F522 PolarHBondContact O-N 3.2Å; F522-P524 WeakPolarHBondContact O-CD 3.2Å; F522-V528 HydrophobicContact CD1-CG1 3.74Å; F522-V528 HydrophobicContact CE1-CG1 3.82Å
523	T	90.2	Very high	86.7	Confident	50 Å²	50	48.7 Å²	48.7	31%	0.307	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-68	119.4	173.4	-51.6	0	0	0	0	110	T331 G525 V526	T331-T523 WeakPolarHBondContact O-CB 3.24Å; T331-T523 PolarHBondContact O-OG1 3.07Å; T523-G525 PolarHBondContact O-N 2.86Å; T523-V526 HydrophobicContact CG2-CB 4.39Å; T523-V526 HydrophobicContact CG2-CG2 3.58Å; T523-V526 PolarHBondContact O-N 2.93Å
524	P	82.9	Confident	87.2	Confident	82 Å²	82	49.8 Å²	49.8	53%	0.532	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	133.8	-177.4	-26.1	35.2	0	0	0	112.7	R514 F522 V526	R514-P524 HydrophobicContact CB-CG 4.34Å; F522-P524 WeakPolarHBondContact O-CD 3.2Å; P524-V526 PolarHBondContact O-N 2.94Å
525	G	80.3	Confident	87.8	Confident	71 Å²	71	44.3 Å²	44.3	73%	0.732	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-2.4	178.9	0	0	0	0	0	115.6	T523	T523-G525 PolarHBondContact O-N 2.86Å
526	V	88.4	Confident	88.3	Confident	45 Å²	45	39.7 Å²	39.7	27%	0.273	23%	0.232	S	C	.	.			trans	-94.2	129	174.3	-175.8	0	0	0	0	109.3	T523 P524	T523-V526 HydrophobicContact CG2-CB 4.39Å; T523-V526 HydrophobicContact CG2-CG2 3.58Å; T523-V526 PolarHBondContact O-N 2.93Å; P524-V526 PolarHBondContact O-N 2.94Å
527	P	92.2	Very high	88	Confident	19 Å²	19	38.7 Å²	38.7	12%	0.123	23%	0.233	C	C	.	.			trans	-76.4	145.2	176.6	30.6	-34	0	0	0	111.4	M326 H332 D481 L482 F483	M326-P527 HydrophobicContact CE-CG 4.13Å; M326-P527 HydrophobicContact SD-CG 4.29Å; H332-P527 PolarHBondContact CE1-O 2.96Å; D481-P527 HydrophobicContact CB-CB 3.99Å; D481-P527 HydrophobicContact CB-CG 4.26Å; L482-P527 CarbonylContact O-C 3.54Å; L482-P527 WeakPolarHBondContact O-CA 3.39Å; L482-P527 WeakPolarHBondContact O-CB 3.49Å; F483-P527 HydrophobicContact CE1-CB 4.15Å; F483-P527 HydrophobicContact CZ-CB 4.22Å
528	V	93.8	Very high	87	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-84.3	-21.5	175.8	-69	0	0	0	0	112.2	M326 W327 W346 L452 T460 L482 P484 F522	M326-V528 CarbonylContact C-O 3.56Å; M326-V528 WeakPolarHBondContact CA-O 3.39Å; M326-V528 PolarHBondContact N-O 3.01Å; W327-V528 HydrophobicContact CB-CB 4.21Å; W327-V528 PolarHBondContact N-O 2.94Å; W346-V528 HydrophobicContact CH2-CB 4.07Å; W346-V528 HydrophobicContact CH2-CG2 4.08Å; W346-V528 VanDerWaalsContact CZ2-O 3.27Å; W346-V528 WeakPolarHBondContact CZ2-O 3.29Å; L452-V528 HydrophobicContact CD2-CB 4.08Å; L452-V528 HydrophobicContact CD2-CG1 4Å; L452-V528 HydrophobicContact CD2-CG2 4.21Å; T460-V528 HydrophobicContact CG2-CG2 4.32Å; L482-V528 WeakPolarHBondContact O-CG2 3.46Å; L482-V528 PolarHBondContact O-N 3.5Å; P484-V528 HydrophobicContact CB-CG1 4.4Å; P484-V528 HydrophobicContact CB-CG2 4.39Å; P484-V528 HydrophobicContact CG-CG1 4.06Å; F522-V528 HydrophobicContact CD1-CG1 3.74Å; F522-V528 HydrophobicContact CE1-CG1 3.82Å
529	A	94.2	Very high	86.2	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	170.7	176.3	0	0	0	0	0	110.9	F323 T324 W346 T460 L482	F323-A529 HydrophobicContact CD2-CB 4.34Å; F323-A529 HydrophobicContact CE1-CB 4.17Å; F323-A529 HydrophobicContact CE2-CB 3.48Å; F323-A529 VanDerWaalsContact CE2-CB 3.48Å; F323-A529 HydrophobicContact CZ-CB 3.38Å; T324-A529 CarbonylContact O-C 3.53Å; T324-A529 VanDerWaalsContact O-CA 3.24Å; T324-A529 WeakPolarHBondContact O-CA 3.35Å; T324-A529 WeakPolarHBondContact O-CB 3.47Å; W346-A529 HydrophobicContact CH2-CB 3.95Å; W346-A529 HydrophobicContact CZ2-CB 4.13Å; T460-A529 HydrophobicContact CG2-CB 4.47Å; L482-A529 WeakPolarHBondContact CA-O 3.38Å; L482-A529 HydrophobicContact CB-CB 4.15Å; L482-A529 WeakPolarHBondContact CB-O 3.33Å; L482-A529 HydrophobicContact CD1-CB 4.04Å; L482-A529 PolarHBondContact N-O 3.25Å; L482-A529 PolarHBondContact O-N 3.03Å
530	K	92.6	Very high	84.9	Confident	52 Å²	52	45 Å²	45	23%	0.226	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138	173.4	-177	170.5	-59	-128.5	0	110.7	T324 M326 D481	T324-K530 PolarHBondContact N-O 3.24Å; T324-K530 PolarHBondContact O-N 2.85Å; M326-K530 HydrophobicContact SD-CB 3.84Å; D481-K530 WeakPolarHBondContact OD1-CE 3.01Å; D481-K530 IonicContact OD1-NZ 2.73Å; D481-K530 PolarHBondContact OD1-NZ 2.94Å
531	L	91.7	Very high	83.1	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.6	171.5	-177.4	68.3	0	0	0	110.1	L321 T322 F448 I462 E479 I480 L482 L533	L321-L531 HydrophobicContact CD1-CD1 4.39Å; L321-L531 HydrophobicContact CD2-CD1 3.51Å; L321-L531 HydrophobicContact CG-CD1 3.67Å; T322-L531 WeakPolarHBondContact O-CA 3.3Å; F448-L531 HydrophobicContact CE1-CD1 3.49Å; F448-L531 VanDerWaalsContact CE1-CD1 3.49Å; F448-L531 HydrophobicContact CE1-CD2 3.76Å; F448-L531 HydrophobicContact CE1-CG 4.2Å; F448-L531 HydrophobicContact CZ-CD1 3.75Å; F448-L531 HydrophobicContact CZ-CD2 4.41Å; I462-L531 HydrophobicContact CD1-CD2 3.55Å; I462-L531 HydrophobicContact CG1-CD2 4.02Å; I462-L531 HydrophobicContact CG2-CD2 3.81Å; E479-L531 WeakPolarHBondContact CA-O 3.29Å; I480-L531 HydrophobicContact CB-CB 4.3Å; I480-L531 HydrophobicContact CD1-CD2 4.38Å; I480-L531 PolarHBondContact N-O 3.49Å; I480-L531 PolarHBondContact O-N 2.62Å; L482-L531 HydrophobicContact CD1-CB 4.16Å; L482-L531 HydrophobicContact CD2-CB 4.25Å; L482-L531 HydrophobicContact CG-CB 4.25Å; L531-L533 HydrophobicContact CD2-CD1 4.18Å; L531-L533 HydrophobicContact CD2-CG 4.17Å; L531-L533 HydrophobicContact CG-CG 4.31Å
532	T	93.2	Very high	81.2	Confident	30 Å²	30	50.8 Å²	50.8	18%	0.184	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.1	162	74.3	0	0	0	0	110.6	L321 T322 I478 E479	L321-T532 WeakPolarHBondContact CA-O 3.46Å; T322-T532 WeakPolarHBondContact CB-OG1 3.1Å; T322-T532 PolarHBondContact N-O 2.93Å; T322-T532 PolarHBondContact O-N 3.04Å; T322-T532 PolarHBondContact OG1-OG1 2.83Å; I478-T532 CarbonylContact O-C 3.42Å; I478-T532 WeakPolarHBondContact O-CA 3.23Å; E479-T532 HydrophobicContact CG-CG2 3.97Å
533	L	88.9	Confident	78.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	95.9	177	-69.4	169.6	0	0	0	108.4	Y319 K320 L321 I446 I462 Q465 V467 N477 I478 L531	Y319-L533 HydrophobicContact CD1-CB 4.11Å; K320-L533 WeakPolarHBondContact O-CA 3.28Å; L321-L533 HydrophobicContact CB-CD2 3.83Å; L321-L533 HydrophobicContact CD1-CD2 3.88Å; L321-L533 HydrophobicContact CG-CD2 3.68Å; I446-L533 HydrophobicContact CD1-CD1 4.36Å; I446-L533 HydrophobicContact CD1-CD2 4.22Å; I462-L533 HydrophobicContact CD1-CD1 4.47Å; Q465-L533 HydrophobicContact CG-CD1 4.48Å; V467-L533 HydrophobicContact CG1-CD1 4.25Å; N477-L533 WeakPolarHBondContact CA-O 2.99Å; N477-L533 PolarHBondContact OD1-O 3.5Å; I478-L533 HydrophobicContact CB-CB 4.21Å; I478-L533 HydrophobicContact CB-CD1 4.47Å; I478-L533 PolarHBondContact N-O 2.81Å; I478-L533 VanDerWaalsContact N-O 3.08Å; I478-L533 PolarHBondContact O-N 2.86Å; L531-L533 HydrophobicContact CD2-CD1 4.18Å; L531-L533 HydrophobicContact CD2-CG 4.17Å; L531-L533 HydrophobicContact CG-CG 4.31Å
534	E	91.5	Very high	76.8	Confident	89 Å²	89	55.9 Å²	55.9	42%	0.416	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122	-178.7	178.5	-177.8	-159.8	0	0	110	Y319 K320 V536	Y319-E534 CarbonylContact C-O 3.2Å; Y319-E534 VanDerWaalsContact CA-O 3.27Å; Y319-E534 WeakPolarHBondContact CA-O 3.4Å; K320-E534 HydrophobicContact CB-CB 4.4Å; K320-E534 PolarHBondContact N-O 3.01Å; K320-E534 IonicContact NZ-OE2 2.6Å; K320-E534 PolarHBondContact NZ-OE2 2.89Å; K320-E534 PolarHBondContact O-N 3.29Å; E534-V536 PolarHBondContact O-N 2.93Å
535	R	87.4	Confident	74.6	Confident	25 Å²	25	55.9 Å²	55.9	9%	0.094	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	110.7	178	-166.3	-172.8	78	-166.9	4.6	110.4	A317 Y319 W474 A475 K476 P538 I539 E540	A317-R535 HydrophobicContact CB-CG 4.26Å; Y319-R535 HydrophobicContact CD1-CB 4.08Å; Y319-R535 HydrophobicContact CE1-CB 3.77Å; Y319-R535 HydrophobicContact CE1-CG 4.19Å; Y319-R535 HydrophobicContact CE2-CG 4.41Å; W474-R535 PolarHBondContact O-NH1 3.46Å; A475-R535 WeakPolarHBondContact O-CB 3.49Å; K476-R535 WeakPolarHBondContact O-CB 3.41Å; K476-R535 PolarHBondContact O-N 2.96Å; R535-P538 VanDerWaalsContact CZ-O 3.3Å; R535-P538 PolarHBondContact NE-O 3.08Å; R535-P538 PolarHBondContact NH2-O 3.19Å; R535-P538 VanDerWaalsContact NH2-O 3.1Å; R535-I539 PolarHBondContact NH2-O 2.87Å; R535-E540 PolarHBondContact NH2-O 2.82Å
536	V	84.6	Confident	72.2	Confident	56 Å²	56	54.8 Å²	54.8	34%	0.339	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-40.4	-179.2	-176.4	0	0	0	0	111	S318 K320 Y436 E534	S318-V536 PolarHBondContact O-N 3.46Å; K320-V536 HydrophobicContact CB-CG2 3.6Å; Y436-V536 HydrophobicContact CD1-CG2 4.4Å; Y436-V536 HydrophobicContact CE1-CG2 4.08Å; E534-V536 PolarHBondContact O-N 2.93Å
537	L	72.7	Confident	69.6	Low	62 Å²	62	62.1 Å²	62.1	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.1	175.2	-67.1	174.6	0	0	0	109.8	A317 S318 I539 L659	A317-L537 CarbonylContact C-O 3.58Å; A317-L537 WeakPolarHBondContact CA-O 3.33Å; A317-L537 VanDerWaalsContact CB-O 3.32Å; A317-L537 WeakPolarHBondContact CB-O 3.4Å; S318-L537 PolarHBondContact N-O 3.23Å; S318-L537 PolarHBondContact O-N 2.92Å; L537-I539 HydrophobicContact CD2-CG1 4.33Å; L537-L659 HydrophobicContact CD1-CD1 3.78Å
538	P	63.2	Low	66.7	Low	36 Å²	36	67.6 Å²	67.6	23%	0.234	36%	0.356	C	S	.	.	S	Bend	cis	-66.7	150.8	-15.5	28.6	-32.5	0	0	0	111.1	S316 R535 W542	S316-P538 WeakPolarHBondContact O-CD 3.37Å; R535-P538 VanDerWaalsContact CZ-O 3.3Å; R535-P538 PolarHBondContact NE-O 3.08Å; R535-P538 PolarHBondContact NH2-O 3.19Å; R535-P538 VanDerWaalsContact NH2-O 3.1Å; P538-W542 HydrophobicContact CG-CG 4.11Å
539	I	65	Low	63.9	Low	141 Å²	141	77.5 Å²	77.5	72%	0.723	40%	0.395	S	S	*	.	S	Bend	trans	-66.7	-51.9	-179.9	-61.4	171.8	0	0	0	109.2	R535 L537	R535-I539 PolarHBondContact NH2-O 2.87Å; L537-I539 HydrophobicContact CD2-CG1 4.33Å
540	E	57.1	Low	61.2	Low	160 Å²	160	84.6 Å²	84.6	75%	0.748	43%	0.433	S	S	*	.	S	Bend	trans	-75.8	149.9	175.7	-61.4	-172.8	172.4	0	0	111.8	R535 W542	R535-E540 PolarHBondContact NH2-O 2.82Å; E540-W542 PolarHBondContact O-N 2.64Å
541	S	51.5	Low	58.6	Low	74 Å²	74	83 Å²	83	52%	0.517	43%	0.431	S	S	.	.			trans	-67.9	86.4	161.9	46.5	0	0	0	0	108.4	E543	S541-E543 PolarHBondContact O-N 2.84Å
542	W	51.2	Low	56.1	Low	59 Å²	59	86.2 Å²	86.2	22%	0.223	45%	0.45	C	S	.	.			trans	-58.4	132	160.5	80	-69.5	0	0	0	107.1	A313 C314 C472 W474 P538 E540 C544	A313-W542 HydrophobicContact CB-CH2 4.47Å; A313-W542 HydrophobicContact CB-CZ2 3.89Å; C314-W542 HydrophobicContact CB-CE3 4.08Å; C314-W542 HydrophobicContact CB-CH2 3.52Å; C314-W542 HydrophobicContact CB-CZ2 4.37Å; C314-W542 HydrophobicContact CB-CZ3 3.27Å; C314-W542 VanDerWaalsContact O-CE2 3.32Å; C314-W542 WeakPolarHBondContact O-CZ2 3.27Å; C472-W542 WeakPolarHBondContact O-CH2 3.44Å; C472-W542 WeakPolarHBondContact O-CZ2 3.33Å; W474-W542 AromaticContact CD1-CE2 3.88Å; W474-W542 AromaticContact CD1-NE1 3.04Å; W474-W542 AromaticContact NE1-CE2 3.93Å; W474-W542 AromaticContact NE1-NE1 3.51Å; P538-W542 HydrophobicContact CG-CG 4.11Å; E540-W542 PolarHBondContact O-N 2.64Å; W542-C544 HydrophobicContact CH2-CB 4.23Å; W542-C544 WeakPolarHBondContact CH2-SG 3.15Å; W542-C544 HydrophobicContact CZ3-CB 4Å; W542-C544 WeakPolarHBondContact CZ3-SG 3.35Å
543	E	45.3	Very low	53.7	Low	115 Å²	115	90.6 Å²	90.6	54%	0.537	47%	0.469	S	S	.	.			trans	-107	150.2	174.2	-66.6	173.7	-158.9	0	0	107.2	S541 T545	S541-E543 PolarHBondContact O-N 2.84Å; E543-T545 HydrophobicContact CB-CG2 4.03Å; E543-T545 WeakPolarHBondContact CB-OG1 3.39Å; E543-T545 PolarHBondContact O-N 3.47Å; E543-T545 PolarHBondContact OE2-OG1 3.06Å
544	C	46.1	Very low	51.2	Low	57 Å²	57	94.3 Å²	94.3	39%	0.385	49%	0.488	S	S	.	.	S	Bend	trans	-70.7	15.4	166.7	-66.8	0	0	0	0	111.7	C312 C314 W542	C312-C544 PolarHBondContact O-SG 2.8Å; C314-C544 WeakPolarHBondContact CB-SG 3.45Å; C314-C544 PolarHBondContact N-SG 3.49Å; C314-C544 WeakPolarHBondContact SG-CB 3.43Å; C314-C544 CovalentContact SG-SG 2.07Å; C314-C544 PolarHBondContact SG-SG 2.75Å; W542-C544 HydrophobicContact CH2-CB 4.23Å; W542-C544 WeakPolarHBondContact CH2-SG 3.15Å; W542-C544 HydrophobicContact CZ3-CB 4Å; W542-C544 WeakPolarHBondContact CZ3-SG 3.35Å
545	T	36.6	Very low	48.6	Very low	83 Å²	83	95.5 Å²	95.5	51%	0.509	49%	0.492	S	S	.	.			trans	-93.1	114.8	-173.1	61.9	0	0	0	0	110.8	E543 K547	E543-T545 HydrophobicContact CB-CG2 4.03Å; E543-T545 WeakPolarHBondContact CB-OG1 3.39Å; E543-T545 PolarHBondContact O-N 3.47Å; E543-T545 PolarHBondContact OE2-OG1 3.06Å; T545-K547 PolarHBondContact O-N 3.1Å
546	S	28.9	Very low	46.4	Very low	48 Å²	48	97.4 Å²	97.4	34%	0.336	50%	0.504	S	S	.	.			trans	-54.5	119.7	159	51.7	0	0	0	0	109.8	V548 G551	S546-V548 PolarHBondContact O-N 2.91Å; S546-G551 VanDerWaalsContact CB-O 3.25Å; S546-G551 WeakPolarHBondContact CB-O 3.45Å
547	K	35.2	Very low	43.9	Very low	198 Å²	198	100.4 Å²	100.4	86%	0.861	54%	0.535	S	S	*	.			trans	-68.9	75.2	168.5	-77.7	-176.6	176.9	173.3	0	111.4	T545 Y549	T545-K547 PolarHBondContact O-N 3.1Å; K547-Y549 PolarHBondContact O-N 2.83Å
548	V	30.7	Very low	42	Very low	134 Å²	134	103.2 Å²	103.2	81%	0.812	55%	0.551	S	S	*	*	S	Bend	trans	51.5	0.1	147.8	-171.7	0	0	0	0	119.3	S546	S546-V548 PolarHBondContact O-N 2.91Å
549	Y	35.3	Very low	40.4	Very low	209 Å²	209	104.6 Å²	104.6	82%	0.82	57%	0.571	S	S	*	*	S	Bend	trans	-125.9	-10.9	-173.9	-94.8	-84.9	0	0	0	117.5	K547	K547-Y549 PolarHBondContact O-N 2.83Å
550	N	36.9	Very low	39	Very low	149 Å²	149	100.1 Å²	100.1	80%	0.797	55%	0.552	S	S	*	*	S	Bend	trans	-130.6	20.5	-176.3	-81.2	-19.8	0	0	0	115
551	G	37.8	Very low	38.3	Very low	19 Å²	19	96.3 Å²	96.3	20%	0.196	54%	0.54	C	S	.	.			trans	87.3	166.7	-176.6	0	0	0	0	0	113.8	S546	S546-G551 VanDerWaalsContact CB-O 3.25Å; S546-G551 WeakPolarHBondContact CB-O 3.45Å
552	V	38.4	Very low	38.1	Very low	66 Å²	66	97.8 Å²	97.8	40%	0.4	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.2	-178.4	-175.2	0	0	0	0	108.8	L554 T563 V564	V552-L554 HydrophobicContact CG1-CD2 3.95Å; V552-L554 PolarHBondContact O-N 3.19Å; V552-T563 CarbonylContact O-C 3.52Å; V552-T563 VanDerWaalsContact O-CA 3.29Å; V552-T563 WeakPolarHBondContact O-CA 3.33Å; V552-V564 PolarHBondContact N-O 2.98Å; V552-V564 PolarHBondContact O-N 2.91Å
553	E	42.8	Very low	37.9	Very low	122 Å²	122	99.4 Å²	99.4	57%	0.57	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76	104.8	169.4	-75.1	-179.1	177.1	0	0	109.9	T563	E553-T563 HydrophobicContact CG-CG2 3.64Å
554	L	36.9	Very low	38	Very low	79 Å²	79	97.1 Å²	97.1	41%	0.414	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.6	170.3	-60.1	-179.6	0	0	0	109.3	V552 T561 E562 V564	V552-L554 HydrophobicContact CG1-CD2 3.95Å; V552-L554 PolarHBondContact O-N 3.19Å; L554-T561 CarbonylContact O-C 3.6Å; L554-T561 WeakPolarHBondContact O-CA 3.1Å; L554-E562 PolarHBondContact N-O 2.85Å; L554-E562 PolarHBondContact O-N 2.98Å; L554-V564 HydrophobicContact CD1-CB 4.22Å; L554-V564 HydrophobicContact CD1-CG2 3.57Å; L554-V564 HydrophobicContact CG-CG2 4.23Å
555	F	36.8	Very low	38.1	Very low	114 Å²	114	97.5 Å²	97.5	50%	0.5	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.8	113.1	171.4	-70.3	-93.1	0	0	0	109.4	T561	F555-T561 HydrophobicContact CD1-CG2 3.67Å; F555-T561 HydrophobicContact CE1-CG2 3.4Å; F555-T561 HydrophobicContact CG-CG2 4.4Å; F555-T561 HydrophobicContact CZ-CG2 3.91Å
556	N	40.7	Very low	38.2	Very low	64 Å²	64	98 Å²	98	34%	0.342	57%	0.57	S	S	.	*			trans	-77.4	158.1	174.8	-70.9	-34.1	0	0	0	110.8	D558 G559 S560	N556-D558 WeakPolarHBondContact CB-OD1 3.16Å; N556-D558 PolarHBondContact O-N 3.04Å; N556-D558 VanDerWaalsContact O-N 3.09Å; N556-G559 PolarHBondContact O-N 3.36Å; N556-S560 WeakPolarHBondContact CB-OG 3.3Å; N556-S560 PolarHBondContact N-O 3.07Å; N556-S560 PolarHBondContact ND2-OG 3Å
557	A	32.1	Very low	38.7	Very low	120 Å²	120	107.4 Å²	107.4	99%	0.992	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-11.8	-177.1	0	0	0	0	0	114.3
558	D	33.2	Very low	38.7	Very low	121 Å²	121	104.5 Å²	104.5	65%	0.647	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-2.3	173.4	65.6	-7.7	0	0	0	113.5	N556 S560	N556-D558 WeakPolarHBondContact CB-OD1 3.16Å; N556-D558 PolarHBondContact O-N 3.04Å; N556-D558 VanDerWaalsContact O-N 3.09Å; D558-S560 VanDerWaalsContact OD1-CB 3.27Å; D558-S560 WeakPolarHBondContact OD1-CB 3.32Å; D558-S560 PolarHBondContact OD1-N 3.44Å; D558-S560 PolarHBondContact OD1-OG 3.19Å; D558-S560 PolarHBondContact OD2-OG 3.4Å
559	G	29.9	Very low	38.9	Very low	64 Å²	64	101.6 Å²	101.6	66%	0.66	60%	0.596	S	S	*	*	S	Bend	trans	84.4	4.4	-175.6	0	0	0	0	0	114.5	N556	N556-G559 PolarHBondContact O-N 3.36Å
560	S	36.7	Very low	38.7	Very low	47 Å²	47	99 Å²	99	33%	0.329	60%	0.597	S	S	.	*			trans	-77.4	154.8	170.9	70.7	0	0	0	0	112	N556 D558	N556-S560 WeakPolarHBondContact CB-OG 3.3Å; N556-S560 PolarHBondContact N-O 3.07Å; N556-S560 PolarHBondContact ND2-OG 3Å; D558-S560 VanDerWaalsContact OD1-CB 3.27Å; D558-S560 WeakPolarHBondContact OD1-CB 3.32Å; D558-S560 PolarHBondContact OD1-N 3.44Å; D558-S560 PolarHBondContact OD1-OG 3.19Å; D558-S560 PolarHBondContact OD2-OG 3.4Å
561	T	41.3	Very low	38.8	Very low	81 Å²	81	100.7 Å²	100.7	50%	0.497	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	123.2	175.2	50.3	0	0	0	0	110.3	L554 F555	L554-T561 CarbonylContact O-C 3.6Å; L554-T561 WeakPolarHBondContact O-CA 3.1Å; F555-T561 HydrophobicContact CD1-CG2 3.67Å; F555-T561 HydrophobicContact CE1-CG2 3.4Å; F555-T561 HydrophobicContact CG-CG2 4.4Å; F555-T561 HydrophobicContact CZ-CG2 3.91Å
562	E	46.6	Very low	38.5	Very low	105 Å²	105	104.1 Å²	104.1	49%	0.491	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.2	117.5	175.9	-173.2	177.5	172.2	0	0	110.6	L554 V564	L554-E562 PolarHBondContact N-O 2.85Å; L554-E562 PolarHBondContact O-N 2.98Å; E562-V564 HydrophobicContact CG-CG2 4.03Å; E562-V564 PolarHBondContact O-N 2.91Å
563	T	48.1	Very low	38.1	Very low	93 Å²	93	108.3 Å²	108.3	57%	0.571	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.7	109.1	174.9	45.8	0	0	0	0	111.5	V552 E553	V552-T563 CarbonylContact O-C 3.52Å; V552-T563 VanDerWaalsContact O-CA 3.29Å; V552-T563 WeakPolarHBondContact O-CA 3.33Å; E553-T563 HydrophobicContact CG-CG2 3.64Å
564	V	46.7	Very low	37.6	Very low	66 Å²	66	112.1 Å²	112.1	40%	0.4	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	134.4	178.2	-175	0	0	0	0	110.7	V552 L554 E562	V552-V564 PolarHBondContact N-O 2.98Å; V552-V564 PolarHBondContact O-N 2.91Å; L554-V564 HydrophobicContact CD1-CB 4.22Å; L554-V564 HydrophobicContact CD1-CG2 3.57Å; L554-V564 HydrophobicContact CG-CG2 4.23Å; E562-V564 HydrophobicContact CG-CG2 4.03Å; E562-V564 PolarHBondContact O-N 2.91Å
565	G	48.6	Very low	37.3	Very low	66 Å²	66	117.9 Å²	117.9	68%	0.68	68%	0.68	S	S	*	*			trans	123.2	0.2	165.6	0	0	0	0	0	118.8
566	S	38.9	Very low	36.8	Very low	94 Å²	94	117.4 Å²	117.4	66%	0.657	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-75.4	128.6	-179.7	-69.3	0	0	0	0	113.6
567	R	40.1	Very low	36.3	Very low	244 Å²	244	119.8 Å²	119.8	92%	0.921	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-77.5	143.3	170.7	-81.4	-177.7	171	175.2	-2.2	111.3
568	P	35.4	Very low	36	Very low	137 Å²	137	120.6 Å²	120.6	89%	0.89	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-79.4	125.2	177.1	31.3	-33.1	0	0	0	111.7
569	G	34	Very low	35.7	Very low	73 Å²	73	121.5 Å²	121.5	75%	0.753	71%	0.706	S	S	*	*			trans	-172.9	95	178.7	0	0	0	0	0	116.5
570	N	31.5	Very low	35.5	Very low	156 Å²	156	125.6 Å²	125.6	83%	0.834	71%	0.708	S	S	*	*			trans	21.4	105.3	146.2	-81.4	-9.2	0	0	0	119.9
571	Q	37.7	Very low	35	Very low	183 Å²	183	127.3 Å²	127.3	86%	0.855	72%	0.72	S	S	*	*				175.1	149	101	-95.1	175.7	26.5	0	0	115.3
572	S	31.6	Very low	34.4	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	74%	0.739	S	S	*	*			trans	-15.1	144.5	169.8	56	0	0	0	0	123.3
573	N	31.4	Very low	33.5	Very low	153 Å²	153	128.6 Å²	128.6	82%	0.818	73%	0.734	S	S	*	*			trans	68.6	88.8	143.8	-66.4	-11.5	0	0	0	120.1
574	K	32.5	Very low	32.4	Very low	203 Å²	203	126.9 Å²	126.9	88%	0.883	74%	0.735	S	S	*	*				-172.5	149.7	112.3	-98.7	159.4	-175.9	177.9	0	110.5	S576	K574-S576 PolarHBondContact O-N 2.82Å
575	H	30	Very low	31.5	Very low	199 Å²	199	131.3 Å²	131.3	92%	0.921	76%	0.757	S	S	*	*			trans	-64.5	104.7	-174.5	-73.4	-38.8	0	0	0	112.5
576	S	26.4	Very low	30.6	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	77%	0.768	S	S	*	*			trans	-83.5	124.6	155.7	-53.3	0	0	0	0	107.3	K574 I578	K574-S576 PolarHBondContact O-N 2.82Å; S576-I578 PolarHBondContact O-N 3.23Å
577	P	29.6	Very low	30	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	78%	0.778	S	S	*	*			trans	-67.6	124.8	175.4	27.9	-32	0	0	0	108.9	V579	P577-V579 PolarHBondContact O-N 3.29Å
578	I	25.4	Very low	29.4	Very low	137 Å²	137	130.9 Å²	130.9	70%	0.703	77%	0.772	S	S	*	*			trans	-61.7	107.5	171.9	-65.6	166.5	0	0	0	107.2	S576 Q580	S576-I578 PolarHBondContact O-N 3.23Å; I578-Q580 HydrophobicContact CG2-CB 3.98Å; I578-Q580 HydrophobicContact CG2-CG 3.57Å; I578-Q580 PolarHBondContact O-N 2.88Å
579	V	27.3	Very low	29.1	Very low	141 Å²	141	128.7 Å²	128.7	86%	0.855	77%	0.766	S	S	*	*			trans	-76.9	71.1	165.7	-174.4	0	0	0	0	107.5	P577 S581	P577-V579 PolarHBondContact O-N 3.29Å; V579-S581 PolarHBondContact O-N 3.46Å
580	Q	26.4	Very low	28.9	Very low	149 Å²	149	133.1 Å²	133.1	70%	0.696	77%	0.771	S	S	*	*			trans	-65.5	122.7	162.4	-102.8	163.4	-13.5	0	0	107.1	I578 V582	I578-Q580 HydrophobicContact CG2-CB 3.98Å; I578-Q580 HydrophobicContact CG2-CG 3.57Å; I578-Q580 PolarHBondContact O-N 2.88Å; Q580-V582 PolarHBondContact O-N 3.49Å; Q580-V582 VanDerWaalsContact O-N 3.1Å
581	S	25.7	Very low	28.9	Very low	84 Å²	84	130.8 Å²	130.8	59%	0.587	76%	0.764	S	S	*	*			trans	-45.2	116.7	166.3	171.5	0	0	0	0	110.1	V579 V583	V579-S581 PolarHBondContact O-N 3.46Å; S581-V583 PolarHBondContact O-N 2.88Å; S581-V583 VanDerWaalsContact O-N 3.13Å; S581-V583 PolarHBondContact OG-N 3.43Å
582	V	28.5	Very low	28.5	Very low	148 Å²	148	130.9 Å²	130.9	90%	0.897	76%	0.762	S	S	*	*	S	Bend	trans	-88.1	52.9	170.9	-167	0	0	0	0	109.2	Q580	Q580-V582 PolarHBondContact O-N 3.49Å; Q580-V582 VanDerWaalsContact O-N 3.1Å
583	V	27.1	Very low	28.4	Very low	64 Å²	64	135.8 Å²	135.8	39%	0.388	77%	0.772	S	S	.	*			trans	-127.5	52.4	168	-165	0	0	0	0	109.2	Q405 S581	Q405-V583 HydrophobicContact CB-CG1 3.92Å; Q405-V583 HydrophobicContact CG-CG1 4Å; S581-V583 PolarHBondContact O-N 2.88Å; S581-V583 VanDerWaalsContact O-N 3.13Å; S581-V583 PolarHBondContact OG-N 3.43Å
584	G	25.9	Very low	28.3	Very low	57 Å²	57	133.5 Å²	133.5	59%	0.588	77%	0.768	S	S	*	*			trans	-178.8	83	178.4	0	0	0	0	0	112.3
585	D	27.6	Very low	28.2	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	77%	0.765	S	S	*	*			trans	170	90.9	141.4	-92.5	-18.4	0	0	0	111.8
586	L	29.5	Very low	28.2	Very low	175 Å²	175	131.2 Å²	131.2	92%	0.916	76%	0.756	S	S	*	*	S	Bend	trans	-154.1	34.6	154.6	-106.7	-174.8	0	0	0	112.4
587	T	27.2	Very low	28.4	Very low	144 Å²	144	135.2 Å²	135.2	88%	0.883	76%	0.76	S	S	*	*			trans	-140.2	73.1	166.8	53	0	0	0	0	110.1
588	G	26.1	Very low	28.4	Very low	77 Å²	77	136.6 Å²	136.6	79%	0.794	77%	0.766	S	S	*	*			trans	-147.3	61.9	-172.6	0	0	0	0	0	114.3
589	A	29.7	Very low	28.5	Very low	90 Å²	90	133.3 Å²	133.3	74%	0.744	77%	0.766	S	S	*	*			trans	-179.2	107.4	149.9	0	0	0	0	0	111.9
590	L	30.6	Very low	28.7	Very low	167 Å²	167	130.8 Å²	130.8	87%	0.874	77%	0.768	S	S	*	*				162.3	125.2	116.9	-86.3	170	0	0	0	110.3
591	P	30.9	Very low	28.7	Very low	106 Å²	106	127.9 Å²	127.9	69%	0.688	78%	0.778	S	S	*	*			trans	-91.8	157.7	-179.8	36.4	-34.7	0	0	0	112.7
592	K	30.2	Very low	28.8	Very low	186 Å²	186	127.6 Å²	127.6	81%	0.809	79%	0.789	S	S	*	*			trans	113.2	112.3	154.1	-62	167.1	-176.2	173.6	0	117.2
593	K	29.3	Very low	28.8	Very low	195 Å²	195	125.7 Å²	125.7	85%	0.848	79%	0.789	S	S	*	*				62.8	108.7	129.5	-62.3	-174.8	177.3	-174.1	0	120
594	S	29.4	Very low	28.8	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	81%	0.812	S	S	*	*				73	125.5	113.9	-160.5	0	0	0	0	121.4
595	R	29	Very low	29	Very low	217 Å²	217	127.7 Å²	127.7	82%	0.819	82%	0.822	S	S	*	*			trans	84.9	129.7	144.9	-94.7	-179.4	172.6	164	-1	121.4
596	N	31.2	Very low	28.9	Very low	136 Å²	136	125.9 Å²	125.9	73%	0.727	82%	0.817	S	S	*	*			trans	69.6	117.7	151.5	-60.5	-9.4	0	0	0	116.5
597	K	29.3	Very low	28.8	Very low	188 Å²	188	129.4 Å²	129.4	82%	0.817	82%	0.818	S	S	*	*				87.3	134	55.5	-171	-173.6	-177	-177.5	0	110.9
598	V	29.9	Very low	28.8	Very low	144 Å²	144	128.1 Å²	128.1	87%	0.873	80%	0.804	S	S	*	*			trans	75.1	136.1	-174.1	-164.4	0	0	0	0	112.2
599	G	28.3	Very low	29	Very low	67 Å²	67	131.5 Å²	131.5	69%	0.691	81%	0.81	S	S	*	*			cis	163.3	147.8	-5.8	0	0	0	0	0	110.8
600	G	30	Very low	28.9	Very low	88 Å²	88	132.1 Å²	132.1	91%	0.907	81%	0.809	S	S	*	*			trans	75	148.3	-174.5	0	0	0	0	0	113.4
601	G	27.9	Very low	28.7	Very low	88 Å²	88	127.6 Å²	127.6	91%	0.907	80%	0.802	S	S	*	*			cis	128.8	108.9	5.1	0	0	0	0	0	110.2
602	G	27.3	Very low	28.5	Very low	78 Å²	78	125 Å²	125	80%	0.804	80%	0.795	S	S	*	*			trans	137.7	100.7	172.5	0	0	0	0	0	116.6
603	A	28.9	Very low	28.5	Very low	109 Å²	109	120 Å²	120	90%	0.901	78%	0.777	S	S	*	*			trans	47.2	126.2	140.6	0	0	0	0	0	123.1
604	G	27.5	Very low	28.5	Very low	85 Å²	85	113.9 Å²	113.9	88%	0.876	77%	0.769	S	S	*	*			trans	93.5	129.1	139.8	0	0	0	0	0	117.1
605	G	28.3	Very low	28.4	Very low	77 Å²	77	111.2 Å²	111.2	79%	0.794	76%	0.758	S	S	*	*			trans	146.4	57.8	171.6	0	0	0	0	0	116.5
606	T	25.9	Very low	28.6	Very low	121 Å²	121	104.2 Å²	104.2	74%	0.742	74%	0.737	S	S	*	*			trans	-28.8	132.7	163.2	1.2	0	0	0	0	116.2	I608	T606-I608 HydrophobicContact CG2-CD1 3.76Å; T606-I608 HydrophobicContact CG2-CG1 3.95Å
607	R	29	Very low	28.9	Very low	250 Å²	250	100 Å²	100	94%	0.943	72%	0.715	S	S	*	*			trans	-136.4	96.5	142.8	-145.5	176.2	-153.6	-171.2	6.9	111.8
608	I	27.1	Very low	29.1	Very low	116 Å²	116	95.1 Å²	95.1	60%	0.595	70%	0.702	S	S	*	*			trans	-74.2	139.4	176.8	-73	157.4	0	0	0	110.2	T606 S610	T606-I608 HydrophobicContact CG2-CD1 3.76Å; T606-I608 HydrophobicContact CG2-CG1 3.95Å; I608-S610 VanDerWaalsContact CG2-N 3.33Å
609	T	28.7	Very low	29.3	Very low	148 Å²	148	89.5 Å²	89.5	91%	0.908	67%	0.667	S	S	*	*			trans	-132.1	76.7	149.5	45.6	0	0	0	0	109
610	S	27.9	Very low	29.7	Very low	104 Å²	104	91.7 Å²	91.7	73%	0.727	67%	0.671	S	S	*	*			trans	-126.4	123	-180	-47.6	0	0	0	0	109.9	I608	I608-S610 VanDerWaalsContact CG2-N 3.33Å
611	G	26.4	Very low	30.1	Very low	71 Å²	71	90.3 Å²	90.3	73%	0.732	64%	0.643	S	S	*	*			trans	109.6	136.8	159.8	0	0	0	0	0	117.6
612	G	27.4	Very low	30.8	Very low	53 Å²	53	89.6 Å²	89.6	55%	0.546	62%	0.623	S	S	.	*			trans	150.4	61.9	178.3	0	0	0	0	0	110.8
613	L	30.3	Very low	31.6	Very low	80 Å²	80	87 Å²	87	42%	0.419	59%	0.591	S	S	.	*				67.8	133.8	78.7	-75.7	177.8	0	0	0	115.6	P701 K796	L613-P701 HydrophobicContact CD1-CG 3.93Å; L613-P701 HydrophobicContact CD2-CG 4.04Å; L613-K796 HydrophobicContact CD1-CD 4.38Å; L613-K796 HydrophobicContact CD2-CD 4.32Å
614	G	28.9	Very low	32.3	Very low	67 Å²	67	85.1 Å²	85.1	69%	0.691	57%	0.566	S	S	*	*			trans	97.4	116.9	178.7	0	0	0	0	0	111.3
615	G	27.4	Very low	33.1	Very low	48 Å²	48	82.6 Å²	82.6	50%	0.495	54%	0.537	S	S	.	.			cis	165	139	8.5	0	0	0	0	0	106.2
616	D	33.6	Very low	34.1	Very low	70 Å²	70	81.3 Å²	81.3	37%	0.374	51%	0.51	S	S	.	.			trans	41.1	83.4	159.1	-28.6	-40.7	0	0	0	115.5	K752	D616-K752 HydrophobicContact CB-CD 3.91Å; D616-K752 HydrophobicContact CB-CG 4.14Å; D616-K752 VanDerWaalsContact O-CE 3.25Å; D616-K752 WeakPolarHBondContact O-CE 3.34Å; D616-K752 PolarHBondContact O-NZ 2.75Å
617	N	36.1	Very low	35.2	Very low	49 Å²	49	77.2 Å²	77.2	26%	0.262	48%	0.483	S	S	.	.			trans	-151.2	139.7	159.9	-87.1	-50.9	0	0	0	110.8	L619 S620 Q668 H669 K752	N617-L619 HydrophobicContact CB-CB 4.44Å; N617-L619 PolarHBondContact O-N 3.21Å; N617-S620 PolarHBondContact O-N 3.27Å; N617-Q668 PolarHBondContact OD1-NE2 2.83Å; N617-H669 PolarHBondContact ND2-CE1 3.25Å; N617-K752 PolarHBondContact OD1-NZ 2.89Å
618	P	34.9	Very low	36.1	Very low	84 Å²	84	65.5 Å²	65.5	55%	0.545	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	0.4	170.5	23.9	-28.7	0	0	0	113.3	L624	P618-L624 WeakPolarHBondContact O-CD2 3.23Å
619	L	33.6	Very low	37.2	Very low	27 Å²	27	64.3 Å²	64.3	14%	0.141	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	19.8	178.4	-60.6	90.6	0	0	0	113.3	N617 D621 L624 A625 A628 H669	N617-L619 HydrophobicContact CB-CB 4.44Å; N617-L619 PolarHBondContact O-N 3.21Å; L619-D621 PolarHBondContact O-N 3.27Å; L619-L624 HydrophobicContact CB-CB 4.41Å; L619-L624 HydrophobicContact CD1-CD2 4.42Å; L619-L624 HydrophobicContact CD2-CB 4.31Å; L619-L624 HydrophobicContact CD2-CD2 4.43Å; L619-L624 HydrophobicContact CD2-CG 3.85Å; L619-L624 HydrophobicContact CG-CB 4.1Å; L619-L624 HydrophobicContact CG-CD2 3.8Å; L619-L624 HydrophobicContact CG-CG 3.71Å; L619-A625 HydrophobicContact CB-CB 4.37Å; L619-A628 HydrophobicContact CD2-CB 4.06Å; L619-H669 WeakPolarHBondContact CD1-NE2 3.46Å; L619-H669 VanDerWaalsContact CD2-CD2 3.46Å; L619-H669 WeakPolarHBondContact CD2-CD2 3.34Å
620	S	37.5	Very low	38.2	Very low	113 Å²	113	58.7 Å²	58.7	79%	0.79	40%	0.397	S	S	*	.			trans	-69.2	-13.4	164.1	60.3	0	0	0	0	112.7	N617 P622	N617-S620 PolarHBondContact O-N 3.27Å; S620-P622 WeakPolarHBondContact O-CD 3.44Å
621	D	38.3	Very low	39.6	Very low	58 Å²	58	56 Å²	56	31%	0.31	37%	0.374	S	S	.	.	S	Bend	trans	-68.8	114.7	159.4	-171.2	-27.3	0	0	0	108.3	L619 T623 L624 A625	L619-D621 PolarHBondContact O-N 3.27Å; D621-T623 PolarHBondContact O-N 2.98Å; D621-T623 WeakPolarHBondContact OD1-CB 3.23Å; D621-T623 WeakPolarHBondContact OD1-CG2 3.44Å; D621-T623 PolarHBondContact OD1-N 3.48Å; D621-T623 PolarHBondContact OD1-OG1 2.67Å; D621-T623 PolarHBondContact OD2-OG1 3.14Å; D621-L624 HydrophobicContact CB-CB 4.48Å; D621-L624 PolarHBondContact O-N 3.43Å; D621-A625 PolarHBondContact O-N 3.49Å
622	P	42.6	Very low	41.2	Very low	74 Å²	74	53 Å²	53	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-57.3	-28	-178.4	23.8	-33.6	0	0	0	111.7	T392 S620 L624 Q626	T392-P622 HydrophobicContact CG2-CB 4.16Å; T392-P622 HydrophobicContact CG2-CG 4.31Å; S620-P622 WeakPolarHBondContact O-CD 3.44Å; P622-L624 VanDerWaalsContact C-N 3.33Å; P622-L624 PolarHBondContact O-N 3.2Å; P622-Q626 VanDerWaalsContact O-CB 3.27Å; P622-Q626 WeakPolarHBondContact O-CB 3.35Å; P622-Q626 VanDerWaalsContact O-CD 3.29Å; P622-Q626 WeakPolarHBondContact O-CG 3.37Å; P622-Q626 PolarHBondContact O-N 3.16Å; P622-Q626 PolarHBondContact O-OE1 2.94Å
623	T	42.7	Very low	42.8	Very low	24 Å²	24	51.6 Å²	51.6	15%	0.147	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-34.4	178.2	71.4	0	0	0	0	112.5	D621 M627	D621-T623 PolarHBondContact O-N 2.98Å; D621-T623 WeakPolarHBondContact OD1-CB 3.23Å; D621-T623 WeakPolarHBondContact OD1-CG2 3.44Å; D621-T623 PolarHBondContact OD1-N 3.48Å; D621-T623 PolarHBondContact OD1-OG1 2.67Å; D621-T623 PolarHBondContact OD2-OG1 3.14Å; T623-M627 VanDerWaalsContact O-CG 3.27Å; T623-M627 WeakPolarHBondContact O-CG 3.45Å; T623-M627 PolarHBondContact O-N 3.41Å
624	L	45	Very low	44.6	Very low	69 Å²	69	48.9 Å²	48.9	36%	0.361	31%	0.308	S	S	.	.	H	α-helix	trans	-81.1	-39.3	-179.2	-162.5	58.8	0	0	0	111.2	P618 L619 D621 P622 Q626 M627 A628	P618-L624 WeakPolarHBondContact O-CD2 3.23Å; L619-L624 HydrophobicContact CB-CB 4.41Å; L619-L624 HydrophobicContact CD1-CD2 4.42Å; L619-L624 HydrophobicContact CD2-CB 4.31Å; L619-L624 HydrophobicContact CD2-CD2 4.43Å; L619-L624 HydrophobicContact CD2-CG 3.85Å; L619-L624 HydrophobicContact CG-CB 4.1Å; L619-L624 HydrophobicContact CG-CD2 3.8Å; L619-L624 HydrophobicContact CG-CG 3.71Å; D621-L624 HydrophobicContact CB-CB 4.48Å; D621-L624 PolarHBondContact O-N 3.43Å; P622-L624 VanDerWaalsContact C-N 3.33Å; P622-L624 PolarHBondContact O-N 3.2Å; L624-Q626 PolarHBondContact O-N 3.47Å; L624-M627 HydrophobicContact CD1-CB 4.3Å; L624-M627 HydrophobicContact CD1-SD 3.96Å; L624-M627 WeakPolarHBondContact O-CB 3.31Å; L624-M627 PolarHBondContact O-N 3.09Å; L624-M627 VanDerWaalsContact O-N 3.14Å; L624-A628 PolarHBondContact O-N 3.06Å
625	A	43.2	Very low	46.7	Very low	32 Å²	32	48.7 Å²	48.7	26%	0.264	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-35.5	170.7	0	0	0	0	0	112	L619 D621 A628 L629	L619-A625 HydrophobicContact CB-CB 4.37Å; D621-A625 PolarHBondContact O-N 3.49Å; A625-A628 PolarHBondContact O-N 3.38Å; A625-L629 PolarHBondContact O-N 3.44Å; A625-L629 VanDerWaalsContact O-N 3.11Å
626	Q	49.2	Very low	48.8	Very low	49 Å²	49	51.4 Å²	51.4	23%	0.229	30%	0.303	C	S	.	.	H	α-helix	trans	-71.4	-39.7	172.1	-72.4	165.2	-20.2	0	0	112.3	P622 L624 A628 L629 F630	P622-Q626 VanDerWaalsContact O-CB 3.27Å; P622-Q626 WeakPolarHBondContact O-CB 3.35Å; P622-Q626 VanDerWaalsContact O-CD 3.29Å; P622-Q626 WeakPolarHBondContact O-CG 3.37Å; P622-Q626 PolarHBondContact O-N 3.16Å; P622-Q626 PolarHBondContact O-OE1 2.94Å; L624-Q626 PolarHBondContact O-N 3.47Å; Q626-A628 VanDerWaalsContact C-N 3.28Å; Q626-A628 PolarHBondContact O-N 2.86Å; Q626-L629 WeakPolarHBondContact O-CA 3.5Å; Q626-L629 VanDerWaalsContact O-CB 3.3Å; Q626-L629 WeakPolarHBondContact O-CB 3.44Å; Q626-L629 PolarHBondContact O-N 3.3Å; Q626-F630 HydrophobicContact CB-CE2 4.01Å; Q626-F630 HydrophobicContact CB-CZ 4.49Å; Q626-F630 WeakPolarHBondContact O-CD2 3.48Å; Q626-F630 VanDerWaalsContact O-CG 3.24Å; Q626-F630 WeakPolarHBondContact O-CG 3.3Å; Q626-F630 PolarHBondContact O-N 2.93Å
627	M	48.6	Very low	50.9	Low	36 Å²	36	51.2 Å²	51.2	18%	0.177	30%	0.297	C	S	.	.	H	α-helix	trans	-58.3	-39.4	170.8	-75.2	177.7	-146.2	0	0	112.2	K384 L417 T623 L624 L629 F630 L631	K384-M627 HydrophobicContact CB-CE 4.15Å; L417-M627 HydrophobicContact CD2-CG 4.25Å; T623-M627 VanDerWaalsContact O-CG 3.27Å; T623-M627 WeakPolarHBondContact O-CG 3.45Å; T623-M627 PolarHBondContact O-N 3.41Å; L624-M627 HydrophobicContact CD1-CB 4.3Å; L624-M627 HydrophobicContact CD1-SD 3.96Å; L624-M627 WeakPolarHBondContact O-CB 3.31Å; L624-M627 PolarHBondContact O-N 3.09Å; L624-M627 VanDerWaalsContact O-N 3.14Å; M627-L629 VanDerWaalsContact C-N 3.33Å; M627-F630 PolarHBondContact O-N 2.83Å; M627-L631 WeakPolarHBondContact O-CB 3.29Å; M627-L631 VanDerWaalsContact O-CG 3.3Å; M627-L631 WeakPolarHBondContact O-CG 3.44Å; M627-L631 PolarHBondContact O-N 2.71Å
628	A	47.8	Very low	53.1	Low	3 Å²	3	51.6 Å²	51.6	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-37.1	172.1	0	0	0	0	0	112	L619 L624 A625 Q626 F630 C632 L666 H669 V670	L619-A628 HydrophobicContact CD2-CB 4.06Å; L624-A628 PolarHBondContact O-N 3.06Å; A625-A628 PolarHBondContact O-N 3.38Å; Q626-A628 VanDerWaalsContact C-N 3.28Å; Q626-A628 PolarHBondContact O-N 2.86Å; A628-F630 VanDerWaalsContact C-N 3.26Å; A628-F630 PolarHBondContact O-N 3.39Å; A628-C632 WeakPolarHBondContact O-CB 3.48Å; A628-C632 PolarHBondContact O-SG 3.34Å; A628-L666 WeakPolarHBondContact CB-O 3.29Å; A628-H669 HydrophobicContact CB-CB 4Å; A628-V670 WeakPolarHBondContact O-CG2 3.28Å
629	L	51.6	Low	55.3	Low	92 Å²	92	54.8 Å²	54.8	48%	0.482	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-30.7	173.1	-146	93	0	0	0	112.9	A625 Q626 M627	A625-L629 PolarHBondContact O-N 3.44Å; A625-L629 VanDerWaalsContact O-N 3.11Å; Q626-L629 WeakPolarHBondContact O-CA 3.5Å; Q626-L629 VanDerWaalsContact O-CB 3.3Å; Q626-L629 WeakPolarHBondContact O-CB 3.44Å; Q626-L629 PolarHBondContact O-N 3.3Å; M627-L629 VanDerWaalsContact C-N 3.33Å
630	F	49.1	Very low	57.7	Low	30 Å²	30	56.3 Å²	56.3	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-87.7	-30.7	-177.2	-60	-42.3	0	0	0	114.5	A391 L415 L417 Q626 M627 A628 C632	A391-F630 HydrophobicContact CB-CZ 4.28Å; L415-F630 WeakPolarHBondContact O-CD1 3.4Å; L415-F630 WeakPolarHBondContact O-CE1 3.43Å; L417-F630 HydrophobicContact CB-CB 3.61Å; L417-F630 HydrophobicContact CB-CD2 3.51Å; L417-F630 HydrophobicContact CB-CE2 4.31Å; L417-F630 HydrophobicContact CB-CG 3.71Å; Q626-F630 HydrophobicContact CB-CE2 4.01Å; Q626-F630 HydrophobicContact CB-CZ 4.49Å; Q626-F630 WeakPolarHBondContact O-CD2 3.48Å; Q626-F630 VanDerWaalsContact O-CG 3.24Å; Q626-F630 WeakPolarHBondContact O-CG 3.3Å; Q626-F630 PolarHBondContact O-N 2.93Å; M627-F630 PolarHBondContact O-N 2.83Å; A628-F630 VanDerWaalsContact C-N 3.26Å; A628-F630 PolarHBondContact O-N 3.39Å; F630-C632 VanDerWaalsContact C-N 3.35Å
631	L	57.1	Low	59.9	Low	48 Å²	48	52.7 Å²	52.7	25%	0.251	30%	0.3	S	S	.	.	H	α-helix	trans	-85.5	-4.2	-176.2	-71.3	168.8	0	0	0	114.4	M627 N661 L666	M627-L631 WeakPolarHBondContact O-CB 3.29Å; M627-L631 VanDerWaalsContact O-CG 3.3Å; M627-L631 WeakPolarHBondContact O-CG 3.44Å; M627-L631 PolarHBondContact O-N 2.71Å; L631-N661 WeakPolarHBondContact O-CB 3.47Å; L631-N661 PolarHBondContact O-ND2 2.91Å; L631-L666 HydrophobicContact CB-CD2 4.29Å; L631-L666 HydrophobicContact CD1-CD1 4.15Å; L631-L666 HydrophobicContact CD1-CD2 4.38Å
632	C	60.7	Low	62.1	Low	7 Å²	7	55.6 Å²	55.6	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	-133.1	95	-159.9	-61.7	0	0	0	0	110.3	A628 F630 M658 C667 V670	A628-C632 WeakPolarHBondContact O-CB 3.48Å; A628-C632 PolarHBondContact O-SG 3.34Å; F630-C632 VanDerWaalsContact C-N 3.35Å; C632-M658 HydrophobicContact CB-CE 3.68Å; C632-M658 HydrophobicContact CB-SD 4.23Å; C632-C667 HydrophobicContact CB-CB 3.72Å; C632-C667 WeakPolarHBondContact CB-SG 2.98Å; C632-C667 WeakPolarHBondContact SG-CA 2.98Å; C632-C667 WeakPolarHBondContact SG-CB 3.26Å; C632-C667 CovalentContact SG-SG 2.02Å; C632-C667 PolarHBondContact SG-SG 2.93Å; C632-V670 HydrophobicContact CB-CG2 3.34Å
633	I	60.9	Low	64	Low	23 Å²	23	54 Å²	54	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.9	-170.4	-45.2	175.1	0	0	0	110.5	Y436 L659 I660	Y436-I633 HydrophobicContact CD1-CD1 3.8Å; Y436-I633 HydrophobicContact CD2-CD1 3.75Å; Y436-I633 HydrophobicContact CG-CD1 3.31Å; I633-L659 HydrophobicContact CB-CB 4.49Å; I633-L659 HydrophobicContact CG2-CB 4.43Å; I633-L659 HydrophobicContact CG2-CD1 4.34Å; I633-L659 PolarHBondContact O-N 3.32Å; I633-I660 HydrophobicContact CB-CB 4.18Å; I633-I660 HydrophobicContact CD1-CB 3.84Å; I633-I660 HydrophobicContact CD1-CD1 3.62Å; I633-I660 HydrophobicContact CD1-CG1 4.24Å; I633-I660 HydrophobicContact CD1-CG2 4.21Å; I633-I660 HydrophobicContact CG1-CB 4.15Å; I633-I660 PolarHBondContact N-O 3.22Å; I633-I660 PolarHBondContact O-N 2.73Å
634	T	68.3	Low	65.9	Low	23 Å²	23	57 Å²	57	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	162.6	173.2	65.1	0	0	0	0	112.1	R656 A657 M658 L659 V670 L672	T634-R656 HydrophobicContact CG2-CG 4.14Å; T634-R656 WeakPolarHBondContact OG1-CD 3.21Å; T634-R656 PolarHBondContact OG1-NH1 3.04Å; T634-A657 CarbonylContact C-O 3.54Å; T634-A657 VanDerWaalsContact CA-O 3.24Å; T634-A657 WeakPolarHBondContact CA-O 2.96Å; T634-M658 HydrophobicContact CG2-SD 4.07Å; T634-L659 WeakPolarHBondContact O-CD1 3.19Å; T634-V670 HydrophobicContact CG2-CG1 3.53Å; T634-L672 HydrophobicContact CG2-CD2 3.86Å
635	N	73.3	Confident	66.7	Low	64 Å²	64	55.7 Å²	55.7	34%	0.342	33%	0.332	S	S	.	.			trans	-75.9	-179.4	163.6	69.8	-19.1	0	0	0	111.4	R656 A657 L659	N635-R656 WeakPolarHBondContact OD1-CA 3.48Å; N635-R656 WeakPolarHBondContact OD1-CB 2.98Å; N635-A657 PolarHBondContact N-O 2.93Å; N635-A657 PolarHBondContact OD1-N 2.93Å; N635-A657 PolarHBondContact OD1-O 3.09Å; N635-L659 HydrophobicContact CB-CD1 4.07Å; N635-L659 HydrophobicContact CB-CD2 4.07Å; N635-L659 HydrophobicContact CB-CG 4.01Å
636	S	71.2	Confident	68.1	Low	105 Å²	105	59 Å²	59	73%	0.734	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-55.6	146.3	166	-46.4	0	0	0	0	111
637	W	77.4	Confident	68.9	Low	65 Å²	65	58.5 Å²	58.5	25%	0.246	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-59.4	145.4	167.9	-70.7	111	0	0	0	111.9	R654 Q655 R656 P671 E674	W637-R654 HydrophobicContact CB-CG 4.43Å; W637-R654 HydrophobicContact CD2-CG 4.05Å; W637-R654 HydrophobicContact CE3-CB 4.39Å; W637-R654 HydrophobicContact CE3-CG 3.67Å; W637-R654 HydrophobicContact CG-CG 4.41Å; W637-R654 HydrophobicContact CZ3-CG 4.22Å; W637-Q655 VanDerWaalsContact CE3-C 3.46Å; W637-R656 HydrophobicContact CD2-CB 4.07Å; W637-R656 HydrophobicContact CD2-CG 4.02Å; W637-R656 VanDerWaalsContact CE2-CD 3.48Å; W637-R656 HydrophobicContact CE3-CB 3.68Å; W637-R656 HydrophobicContact CE3-CG 3.68Å; W637-R656 HydrophobicContact CH2-CG 3.83Å; W637-R656 HydrophobicContact CZ2-CG 4.16Å; W637-R656 HydrophobicContact CZ3-CB 4.04Å; W637-R656 HydrophobicContact CZ3-CG 3.59Å; W637-P671 WeakPolarHBondContact CH2-O 3.19Å; W637-E674 HydrophobicContact CE3-CB 4.45Å; W637-E674 HydrophobicContact CH2-CB 3.49Å; W637-E674 VanDerWaalsContact CH2-CB 3.49Å; W637-E674 HydrophobicContact CZ2-CB 3.84Å; W637-E674 WeakPolarHBondContact CZ2-OE2 3.41Å; W637-E674 HydrophobicContact CZ3-CB 3.82Å; W637-E674 PolarHBondContact NE1-OE2 3.43Å
638	S	81.6	Confident	69.6	Low	57 Å²	57	57 Å²	57	40%	0.399	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-63.2	166	165.3	73.6	0	0	0	0	111.3	Q655	S638-Q655 WeakPolarHBondContact CB-O 3.24Å; S638-Q655 PolarHBondContact N-O 3.07Å; S638-Q655 PolarHBondContact OG-N 2.97Å; S638-Q655 PolarHBondContact OG-O 3.37Å
639	D	82.2	Confident	70.5	Confident	151 Å²	151	61.8 Å²	61.8	81%	0.807	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-54.4	153.5	158	-66.3	-48.4	0	0	0	110.9
640	W	83.3	Confident	71.5	Confident	60 Å²	60	57.7 Å²	57.7	23%	0.227	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-70.6	132	175	-71.2	103	0	0	0	110.9	R652 R654 E674 E676	W640-R652 VanDerWaalsContact CD1-NH1 3.34Å; W640-R652 HydrophobicContact CD2-CG 4.02Å; W640-R652 HydrophobicContact CE3-CB 4.15Å; W640-R652 HydrophobicContact CE3-CG 3.59Å; W640-R652 HydrophobicContact CG-CG 4.47Å; W640-R652 VanDerWaalsContact CG-CZ 3.47Å; W640-R652 HydrophobicContact CZ3-CG 4.09Å; W640-R652 VanDerWaalsContact CZ3-O 3.29Å; W640-R652 WeakPolarHBondContact CZ3-O 3.47Å; W640-R654 HydrophobicContact CD2-CB 3.96Å; W640-R654 HydrophobicContact CD2-CG 4.04Å; W640-R654 HydrophobicContact CE3-CB 3.69Å; W640-R654 HydrophobicContact CE3-CG 3.76Å; W640-R654 HydrophobicContact CG-CB 4.47Å; W640-R654 HydrophobicContact CH2-CG 3.74Å; W640-R654 HydrophobicContact CZ2-CG 4.03Å; W640-R654 HydrophobicContact CZ3-CB 4.03Å; W640-R654 HydrophobicContact CZ3-CG 3.62Å; W640-E674 HydrophobicContact CH2-CB 4.49Å; W640-E674 HydrophobicContact CH2-CG 4.08Å; W640-E674 WeakPolarHBondContact CZ3-O 3.29Å; W640-E676 HydrophobicContact CH2-CB 3.37Å; W640-E676 HydrophobicContact CH2-CG 4.47Å; W640-E676 HydrophobicContact CZ2-CB 3.86Å; W640-E676 VanDerWaalsContact CZ2-OE2 3.3Å; W640-E676 WeakPolarHBondContact CZ2-OE2 3.06Å; W640-E676 HydrophobicContact CZ3-CB 3.78Å
641	G	83.1	Confident	72.9	Confident	37 Å²	37	63.5 Å²	63.5	38%	0.381	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-67	171.6	170.3	0	0	0	0	0	113.2	T653	G641-T653 PolarHBondContact N-O 3.15Å
642	S	85.6	Confident	74.1	Confident	118 Å²	118	65 Å²	65	83%	0.825	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-54.4	147.8	174.6	-55.8	0	0	0	0	112.3
643	C	83	Confident	75.2	Confident	40 Å²	40	67.4 Å²	67.4	27%	0.27	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-63.9	136.1	175.4	-166.2	0	0	0	0	110.9	V645 C678	C643-V645 PolarHBondContact O-N 3.27Å; C643-C678 WeakPolarHBondContact CA-SG 3.04Å; C643-C678 HydrophobicContact CB-CB 3.88Å; C643-C678 WeakPolarHBondContact CB-SG 3.15Å; C643-C678 WeakPolarHBondContact SG-CB 3.36Å; C643-C678 PolarHBondContact SG-O 2.78Å; C643-C678 CovalentContact SG-SG 2.03Å; C643-C678 PolarHBondContact SG-SG 2.9Å
644	S	80.8	Confident	76.4	Confident	87 Å²	87	69 Å²	69	61%	0.608	40%	0.395	S	S	*	.	S	Bend	trans	-67.1	-5.1	-177.6	75	0	0	0	0	114.4	R651	S644-R651 WeakPolarHBondContact CB-O 3.06Å; S644-R651 PolarHBondContact N-O 2.88Å; S644-R651 PolarHBondContact OG-N 3Å; S644-R651 PolarHBondContact OG-O 3.19Å
645	V	63.2	Low	77.1	Confident	43 Å²	43	73.7 Å²	73.7	26%	0.261	42%	0.416	S	S	.	.			trans	-134.9	150.3	178.7	-53.9	0	0	0	0	110.4	C643 C647 G648 G650 G680	C643-V645 PolarHBondContact O-N 3.27Å; V645-C647 WeakPolarHBondContact CB-O 3.4Å; V645-C647 WeakPolarHBondContact CG2-O 3.43Å; V645-G648 WeakPolarHBondContact CG2-O 3.33Å; V645-G650 VanDerWaalsContact CG2-CA 3.43Å; V645-G650 VanDerWaalsContact CG2-N 3.32Å; V645-G680 WeakPolarHBondContact O-CA 3.11Å
646	T	72.9	Confident	77.5	Confident	102 Å²	102	73.2 Å²	73.2	63%	0.626	41%	0.409	S	S	*	.	S	Bend	trans	-90.9	-9.2	170.5	53.3	0	0	0	0	112.5	I681 K682	T646-I681 PolarHBondContact O-N 3.44Å; T646-K682 PolarHBondContact O-N 3.47Å
647	C	64.9	Low	77.7	Confident	37 Å²	37	70.6 Å²	70.6	25%	0.25	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-149.6	152.5	178.4	59.4	0	0	0	0	112	V645 K682 C685	V645-C647 WeakPolarHBondContact CB-O 3.4Å; V645-C647 WeakPolarHBondContact CG2-O 3.43Å; C647-K682 CarbonylContact C-O 3.57Å; C647-K682 VanDerWaalsContact CA-O 3.23Å; C647-K682 WeakPolarHBondContact CA-O 3.31Å; C647-K682 HydrophobicContact CB-CB 3.83Å; C647-C685 VanDerWaalsContact C-SG 3.58Å; C647-C685 PolarHBondContact O-SG 2.89Å
648	G	63.8	Low	77.4	Confident	5 Å²	5	68.5 Å²	68.5	5%	0.052	39%	0.387	C	S	.	.	S	Bend	trans	64.5	-161.9	-175.3	0	0	0	0	0	113.7	V645 G680 K682 C685	V645-G648 WeakPolarHBondContact CG2-O 3.33Å; G648-G680 PolarHBondContact O-N 3.06Å; G648-K682 PolarHBondContact N-O 3.5Å; G648-C685 VanDerWaalsContact CA-SG 3.59Å
649	V	65.6	Low	76.6	Confident	103 Å²	103	69.5 Å²	69.5	62%	0.624	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.4	179.4	-173.3	0	0	0	0	109.5	C678	V649-C678 CarbonylContact C-O 3.2Å; V649-C678 WeakPolarHBondContact CA-O 3.44Å
650	G	73.1	Confident	75.5	Confident	7 Å²	7	65 Å²	65	7%	0.072	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-161.7	171.3	0	0	0	0	0	112	V645 S677 C678	V645-G650 VanDerWaalsContact CG2-CA 3.43Å; V645-G650 VanDerWaalsContact CG2-N 3.32Å; G650-S677 WeakPolarHBondContact O-CA 3.41Å; G650-C678 VanDerWaalsContact C-SG 3.52Å; G650-C678 PolarHBondContact N-O 3.46Å; G650-C678 PolarHBondContact O-N 3.01Å
651	R	78.3	Confident	74.2	Confident	151 Å²	151	65 Å²	65	57%	0.57	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	139	174.8	-58.3	-171.4	-174.6	-178.8	0	110.7	S644 E675 E676 C678	S644-R651 WeakPolarHBondContact CB-O 3.06Å; S644-R651 PolarHBondContact N-O 2.88Å; S644-R651 PolarHBondContact OG-N 3Å; S644-R651 PolarHBondContact OG-O 3.19Å; R651-E675 WeakPolarHBondContact CD-OE2 3.32Å; R651-E675 IonicContact CZ-OE2 2.78Å; R651-E675 IonicContact NE-OE2 2.69Å; R651-E675 IonicContact NH1-OE2 3.79Å; R651-E675 PolarHBondContact NH1-OE2 2.84Å; R651-E676 CarbonylContact C-O 3.46Å; R651-E676 VanDerWaalsContact CA-O 3.27Å; R651-E676 WeakPolarHBondContact CA-O 3.47Å; R651-C678 PolarHBondContact N-SG 2.82Å
652	R	83.2	Confident	73.1	Confident	81 Å²	81	72.5 Å²	72.5	31%	0.306	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.2	166.5	57.6	179.3	-164.9	164.1	-6.1	108.1	W640 E675 E676 C678	W640-R652 VanDerWaalsContact CD1-NH1 3.34Å; W640-R652 HydrophobicContact CD2-CG 4.02Å; W640-R652 HydrophobicContact CE3-CB 4.15Å; W640-R652 HydrophobicContact CE3-CG 3.59Å; W640-R652 HydrophobicContact CG-CG 4.47Å; W640-R652 VanDerWaalsContact CG-CZ 3.47Å; W640-R652 HydrophobicContact CZ3-CG 4.09Å; W640-R652 VanDerWaalsContact CZ3-O 3.29Å; W640-R652 WeakPolarHBondContact CZ3-O 3.47Å; R652-E675 WeakPolarHBondContact O-CA 3.13Å; R652-E676 HydrophobicContact CG-CB 4.26Å; R652-E676 IonicContact CZ-OE2 3.68Å; R652-E676 PolarHBondContact N-O 3.03Å; R652-E676 IonicContact NE-OE2 3.97Å; R652-E676 PolarHBondContact NE-OE2 3.42Å; R652-E676 IonicContact NH2-OE1 2.64Å; R652-E676 IonicContact NH2-OE2 2.83Å; R652-E676 PolarHBondContact NH2-OE2 2.96Å; R652-E676 PolarHBondContact O-N 3.48Å; R652-C678 HydrophobicContact CB-CB 4.18Å; R652-C678 HydrophobicContact CG-CB 3.95Å; R652-C678 PolarHBondContact N-SG 3.09Å
653	T	83.5	Confident	71.8	Confident	56 Å²	56	74 Å²	74	34%	0.344	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140	-178.2	60.9	0	0	0	0	110.6	G641 E674 E675	G641-T653 PolarHBondContact N-O 3.15Å; T653-E674 VanDerWaalsContact CA-O 3.31Å; T653-E674 WeakPolarHBondContact CA-O 3.43Å; T653-E675 HydrophobicContact CG2-CG 4.15Å
654	R	86.6	Confident	70.5	Confident	58 Å²	58	77.6 Å²	77.6	22%	0.219	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	156.5	165.7	65.8	-179.2	-175.6	-167.3	-9.4	110.1	W637 W640 V673 E674	W637-R654 HydrophobicContact CB-CG 4.43Å; W637-R654 HydrophobicContact CD2-CG 4.05Å; W637-R654 HydrophobicContact CE3-CB 4.39Å; W637-R654 HydrophobicContact CE3-CG 3.67Å; W637-R654 HydrophobicContact CG-CG 4.41Å; W637-R654 HydrophobicContact CZ3-CG 4.22Å; W640-R654 HydrophobicContact CD2-CB 3.96Å; W640-R654 HydrophobicContact CD2-CG 4.04Å; W640-R654 HydrophobicContact CE3-CB 3.69Å; W640-R654 HydrophobicContact CE3-CG 3.76Å; W640-R654 HydrophobicContact CG-CB 4.47Å; W640-R654 HydrophobicContact CH2-CG 3.74Å; W640-R654 HydrophobicContact CZ2-CG 4.03Å; W640-R654 HydrophobicContact CZ3-CB 4.03Å; W640-R654 HydrophobicContact CZ3-CG 3.62Å; R654-V673 WeakPolarHBondContact O-CA 3.07Å; R654-E674 HydrophobicContact CG-CB 3.97Å; R654-E674 IonicContact CZ-OE1 3.15Å; R654-E674 IonicContact CZ-OE2 3.19Å; R654-E674 PolarHBondContact N-O 2.98Å; R654-E674 IonicContact NE-OE1 2.71Å; R654-E674 IonicContact NE-OE2 3.62Å; R654-E674 PolarHBondContact NE-OE2 2.02Å; R654-E674 IonicContact NH2-OE1 2.79Å; R654-E674 PolarHBondContact NH2-OE1 3.34Å; R654-E674 IonicContact NH2-OE2 3.59Å; R654-E674 PolarHBondContact NH2-OE2 2.99Å; R654-E674 PolarHBondContact O-N 2.87Å
655	Q	83.3	Confident	69.3	Low	121 Å²	121	81.8 Å²	81.8	57%	0.565	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.4	-173.2	-61	-171.6	-17.1	0	0	111.5	W637 S638 L672 V673	W637-Q655 VanDerWaalsContact CE3-C 3.46Å; S638-Q655 WeakPolarHBondContact CB-O 3.24Å; S638-Q655 PolarHBondContact N-O 3.07Å; S638-Q655 PolarHBondContact OG-N 2.97Å; S638-Q655 PolarHBondContact OG-O 3.37Å; Q655-L672 CarbonylContact C-O 3.57Å; Q655-L672 VanDerWaalsContact CA-O 3.31Å; Q655-L672 WeakPolarHBondContact CA-O 3.08Å; Q655-V673 HydrophobicContact CG-CG1 4.49Å; Q655-V673 HydrophobicContact CG-CG2 4.27Å
656	R	80.8	Confident	68.8	Low	54 Å²	54	82.9 Å²	82.9	20%	0.204	41%	0.41	C	S	.	.			trans	-141.3	151.5	170.3	68.6	-176.8	174.7	159.7	-6.5	110.1	T634 N635 W637 P671 L672	T634-R656 HydrophobicContact CG2-CG 4.14Å; T634-R656 WeakPolarHBondContact OG1-CD 3.21Å; T634-R656 PolarHBondContact OG1-NH1 3.04Å; N635-R656 WeakPolarHBondContact OD1-CA 3.48Å; N635-R656 WeakPolarHBondContact OD1-CB 2.98Å; W637-R656 HydrophobicContact CD2-CB 4.07Å; W637-R656 HydrophobicContact CD2-CG 4.02Å; W637-R656 VanDerWaalsContact CE2-CD 3.48Å; W637-R656 HydrophobicContact CE3-CB 3.68Å; W637-R656 HydrophobicContact CE3-CG 3.68Å; W637-R656 HydrophobicContact CH2-CG 3.83Å; W637-R656 HydrophobicContact CZ2-CG 4.16Å; W637-R656 HydrophobicContact CZ3-CB 4.04Å; W637-R656 HydrophobicContact CZ3-CG 3.59Å; R656-P671 VanDerWaalsContact CZ-O 3.29Å; R656-P671 PolarHBondContact NE-O 3.19Å; R656-P671 PolarHBondContact NH2-O 3.41Å; R656-L672 HydrophobicContact CG-CD2 4.36Å; R656-L672 PolarHBondContact N-O 2.98Å; R656-L672 WeakPolarHBondContact O-CB 3.18Å
657	A	75.5	Confident	68.2	Low	50 Å²	50	78.5 Å²	78.5	41%	0.413	38%	0.384	S	S	.	.			trans	-104.2	149.6	-177.8	0	0	0	0	0	111.9	T634 N635 L659	T634-A657 CarbonylContact C-O 3.54Å; T634-A657 VanDerWaalsContact CA-O 3.24Å; T634-A657 WeakPolarHBondContact CA-O 2.96Å; N635-A657 PolarHBondContact N-O 2.93Å; N635-A657 PolarHBondContact OD1-N 2.93Å; N635-A657 PolarHBondContact OD1-O 3.09Å; A657-L659 PolarHBondContact O-N 3.48Å
658	M	71	Confident	68	Low	21 Å²	21	82.3 Å²	82.3	10%	0.103	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.6	170.6	-76.7	-67.3	-69.4	0	0	111.3	C632 T634 I660 N661 R662 C667 V670 L672	C632-M658 HydrophobicContact CB-CE 3.68Å; C632-M658 HydrophobicContact CB-SD 4.23Å; T634-M658 HydrophobicContact CG2-SD 4.07Å; M658-I660 WeakPolarHBondContact CE-O 3.23Å; M658-N661 WeakPolarHBondContact CE-O 3.37Å; M658-R662 HydrophobicContact CB-CG 4.2Å; M658-R662 PolarHBondContact O-NE 3.48Å; M658-R662 PolarHBondContact O-NH2 3.08Å; M658-C667 HydrophobicContact CE-CB 3.6Å; M658-C667 VanDerWaalsContact CE-SG 3.55Å; M658-C667 HydrophobicContact SD-CB 4.43Å; M658-V670 HydrophobicContact SD-CB 4.47Å; M658-V670 HydrophobicContact SD-CG1 4.43Å; M658-L672 HydrophobicContact CG-CD1 3.95Å; M658-L672 HydrophobicContact CG-CD2 3.78Å; M658-L672 HydrophobicContact CG-CG 4.49Å; M658-L672 HydrophobicContact SD-CD2 4.07Å
659	L	64.4	Low	67.5	Low	78 Å²	78	84.6 Å²	84.6	41%	0.408	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-51.7	172.5	-70.2	178.4	0	0	0	111.1	L537 I633 T634 N635 A657	L537-L659 HydrophobicContact CD1-CD1 3.78Å; I633-L659 HydrophobicContact CB-CB 4.49Å; I633-L659 HydrophobicContact CG2-CB 4.43Å; I633-L659 HydrophobicContact CG2-CD1 4.34Å; I633-L659 PolarHBondContact O-N 3.32Å; T634-L659 WeakPolarHBondContact O-CD1 3.19Å; N635-L659 HydrophobicContact CB-CD1 4.07Å; N635-L659 HydrophobicContact CB-CD2 4.07Å; N635-L659 HydrophobicContact CB-CG 4.01Å; A657-L659 PolarHBondContact O-N 3.48Å
660	I	60.4	Low	67.2	Low	56 Å²	56	80.1 Å²	80.1	29%	0.287	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.1	-171	-67.8	163.6	0	0	0	110.2	Y436 I633 M658	Y436-I660 HydrophobicContact CD1-CD1 4.04Å; Y436-I660 HydrophobicContact CD2-CD1 4.12Å; Y436-I660 HydrophobicContact CD2-CG2 4.34Å; Y436-I660 HydrophobicContact CE1-CD1 3.56Å; Y436-I660 HydrophobicContact CE2-CD1 3.7Å; Y436-I660 HydrophobicContact CE2-CG2 4.15Å; Y436-I660 HydrophobicContact CG-CD1 4.3Å; I633-I660 HydrophobicContact CB-CB 4.18Å; I633-I660 HydrophobicContact CD1-CB 3.84Å; I633-I660 HydrophobicContact CD1-CD1 3.62Å; I633-I660 HydrophobicContact CD1-CG1 4.24Å; I633-I660 HydrophobicContact CD1-CG2 4.21Å; I633-I660 HydrophobicContact CG1-CB 4.15Å; I633-I660 PolarHBondContact N-O 3.22Å; I633-I660 PolarHBondContact O-N 2.73Å; M658-I660 WeakPolarHBondContact CE-O 3.23Å
661	N	55.8	Low	66.9	Low	59 Å²	59	82.7 Å²	82.7	32%	0.316	40%	0.395	S	S	.	.			trans	68.7	51.8	179.8	-132.4	-4	0	0	0	113.9	L631 M658 K663 L666 C667	L631-N661 WeakPolarHBondContact O-CB 3.47Å; L631-N661 PolarHBondContact O-ND2 2.91Å; M658-N661 WeakPolarHBondContact CE-O 3.37Å; N661-K663 PolarHBondContact O-N 2.74Å; N661-L666 VanDerWaalsContact ND2-CD2 3.34Å; N661-L666 WeakPolarHBondContact ND2-CD2 3.5Å; N661-C667 PolarHBondContact O-SG 2.95Å
662	R	59.3	Low	66.8	Low	195 Å²	195	78.5 Å²	78.5	74%	0.736	38%	0.384	S	S	*	.			trans	-67.4	18.2	-179.4	-63.6	-176.1	177.8	175.7	0.8	115.8	M658 T664	M658-R662 HydrophobicContact CB-CG 4.2Å; M658-R662 PolarHBondContact O-NE 3.48Å; M658-R662 PolarHBondContact O-NH2 3.08Å; R662-T664 PolarHBondContact O-N 3.27Å
663	K	59.1	Low	66.7	Low	149 Å²	149	78.1 Å²	78.1	65%	0.648	39%	0.391	S	S	*	.			trans	-69.7	110.9	173.1	-72.7	-170.2	174.8	-171	0	108.7	N661 E665 L666 C667	N661-K663 PolarHBondContact O-N 2.74Å; K663-E665 VanDerWaalsContact C-N 3.27Å; K663-E665 PolarHBondContact O-N 3.09Å; K663-L666 HydrophobicContact CB-CB 4.2Å; K663-L666 PolarHBondContact O-N 3.24Å; K663-C667 PolarHBondContact O-N 3.24Å; K663-C667 VanDerWaalsContact O-N 3.14Å
664	T	54.3	Low	66.5	Low	116 Å²	116	78.6 Å²	78.6	71%	0.712	39%	0.389	S	S	*	.	H	α-helix	trans	-51.7	-44.8	-178.8	37.5	0	0	0	0	112.1	R662 L666 C667 Q668	R662-T664 PolarHBondContact O-N 3.27Å; T664-L666 VanDerWaalsContact C-N 3.31Å; T664-L666 PolarHBondContact O-N 3.33Å; T664-C667 PolarHBondContact O-N 2.78Å; T664-Q668 WeakPolarHBondContact O-CB 3.42Å; T664-Q668 PolarHBondContact O-N 3.42Å
665	E	56.5	Low	66	Low	175 Å²	175	80.9 Å²	80.9	82%	0.818	40%	0.402	S	S	*	.	H	α-helix	trans	-59.5	-34.2	178.5	-64.3	170.5	-162.6	0	0	114.2	K663	K663-E665 VanDerWaalsContact C-N 3.27Å; K663-E665 PolarHBondContact O-N 3.09Å
666	L	53.2	Low	65.6	Low	66 Å²	66	78.8 Å²	78.8	35%	0.346	39%	0.392	S	S	.	.	H	α-helix	trans	-87.7	-32.6	-176.2	-168.9	68.8	0	0	0	112.3	A628 L631 N661 K663 T664	A628-L666 WeakPolarHBondContact CB-O 3.29Å; L631-L666 HydrophobicContact CB-CD2 4.29Å; L631-L666 HydrophobicContact CD1-CD1 4.15Å; L631-L666 HydrophobicContact CD1-CD2 4.38Å; N661-L666 VanDerWaalsContact ND2-CD2 3.34Å; N661-L666 WeakPolarHBondContact ND2-CD2 3.5Å; K663-L666 HydrophobicContact CB-CB 4.2Å; K663-L666 PolarHBondContact O-N 3.24Å; T664-L666 VanDerWaalsContact C-N 3.31Å; T664-L666 PolarHBondContact O-N 3.33Å
667	C	60.5	Low	65.1	Low	10 Å²	10	80.3 Å²	80.3	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-118	7.2	-166	-58.7	0	0	0	0	115.1	C632 M658 N661 K663 T664 H669 V670	C632-C667 HydrophobicContact CB-CB 3.72Å; C632-C667 WeakPolarHBondContact CB-SG 2.98Å; C632-C667 WeakPolarHBondContact SG-CA 2.98Å; C632-C667 WeakPolarHBondContact SG-CB 3.26Å; C632-C667 CovalentContact SG-SG 2.02Å; C632-C667 PolarHBondContact SG-SG 2.93Å; M658-C667 HydrophobicContact CE-CB 3.6Å; M658-C667 VanDerWaalsContact CE-SG 3.55Å; M658-C667 HydrophobicContact SD-CB 4.43Å; N661-C667 PolarHBondContact O-SG 2.95Å; K663-C667 PolarHBondContact O-N 3.24Å; K663-C667 VanDerWaalsContact O-N 3.14Å; T664-C667 PolarHBondContact O-N 2.78Å; C667-H669 PolarHBondContact O-N 3.39Å; C667-V670 HydrophobicContact CB-CG2 4.49Å; C667-V670 PolarHBondContact O-N 3.08Å; C667-V670 VanDerWaalsContact O-N 3.09Å
668	Q	59.6	Low	65.3	Low	117 Å²	117	78.7 Å²	78.7	55%	0.547	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.1	177	70.7	172.7	22.6	0	0	114.1	N617 T664	N617-Q668 PolarHBondContact OD1-NE2 2.83Å; T664-Q668 WeakPolarHBondContact O-CB 3.42Å; T664-Q668 PolarHBondContact O-N 3.42Å
669	H	53.5	Low	65.5	Low	53 Å²	53	82.5 Å²	82.5	25%	0.245	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.8	-177.9	-69.9	-81.7	0	0	0	114.7	N617 L619 A628 C667 P671	N617-H669 PolarHBondContact ND2-CE1 3.25Å; L619-H669 WeakPolarHBondContact CD1-NE2 3.46Å; L619-H669 VanDerWaalsContact CD2-CD2 3.46Å; L619-H669 WeakPolarHBondContact CD2-CD2 3.34Å; A628-H669 HydrophobicContact CB-CB 4Å; C667-H669 PolarHBondContact O-N 3.39Å; H669-P671 WeakPolarHBondContact O-CD 3.21Å
670	V	59.9	Low	65.5	Low	10 Å²	10	79.2 Å²	79.2	6%	0.061	40%	0.402	C	S	.	.	S	Bend	trans	-73.5	123	174.6	179.3	0	0	0	0	108.9	A628 C632 T634 M658 C667 L672	A628-V670 WeakPolarHBondContact O-CG2 3.28Å; C632-V670 HydrophobicContact CB-CG2 3.34Å; T634-V670 HydrophobicContact CG2-CG1 3.53Å; M658-V670 HydrophobicContact SD-CB 4.47Å; M658-V670 HydrophobicContact SD-CG1 4.43Å; C667-V670 HydrophobicContact CB-CG2 4.49Å; C667-V670 PolarHBondContact O-N 3.08Å; C667-V670 VanDerWaalsContact O-N 3.09Å; V670-L672 HydrophobicContact CB-CD2 4.45Å; V670-L672 HydrophobicContact CG1-CD2 3.95Å; V670-L672 PolarHBondContact O-N 2.81Å
671	P	66.1	Low	66	Low	60 Å²	60	84.1 Å²	84.1	39%	0.39	43%	0.427	S	S	.	.			trans	-68.3	107.3	175.4	24.1	-28.2	0	0	0	108.7	W637 R656 H669	W637-P671 WeakPolarHBondContact CH2-O 3.19Å; R656-P671 VanDerWaalsContact CZ-O 3.29Å; R656-P671 PolarHBondContact NE-O 3.19Å; R656-P671 PolarHBondContact NH2-O 3.41Å; H669-P671 WeakPolarHBondContact O-CD 3.21Å
672	L	77.1	Confident	65.9	Low	64 Å²	64	88.2 Å²	88.2	34%	0.335	44%	0.442	S	S	.	.	S	Bend	trans	-90.8	-12.9	173	-59.6	-174.6	0	0	0	112.3	T634 Q655 R656 M658 V670	T634-L672 HydrophobicContact CG2-CD2 3.86Å; Q655-L672 CarbonylContact C-O 3.57Å; Q655-L672 VanDerWaalsContact CA-O 3.31Å; Q655-L672 WeakPolarHBondContact CA-O 3.08Å; R656-L672 HydrophobicContact CG-CD2 4.36Å; R656-L672 PolarHBondContact N-O 2.98Å; R656-L672 WeakPolarHBondContact O-CB 3.18Å; M658-L672 HydrophobicContact CG-CD1 3.95Å; M658-L672 HydrophobicContact CG-CD2 3.78Å; M658-L672 HydrophobicContact CG-CG 4.49Å; M658-L672 HydrophobicContact SD-CD2 4.07Å; V670-L672 HydrophobicContact CB-CD2 4.45Å; V670-L672 HydrophobicContact CG1-CD2 3.95Å; V670-L672 PolarHBondContact O-N 2.81Å
673	V	80.2	Confident	65.4	Low	73 Å²	73	89.2 Å²	89.2	44%	0.442	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.4	170.6	-172.6	0	0	0	0	107	R654 Q655	R654-V673 WeakPolarHBondContact O-CA 3.07Å; Q655-V673 HydrophobicContact CG-CG1 4.49Å; Q655-V673 HydrophobicContact CG-CG2 4.27Å
674	E	79.6	Confident	64.8	Low	65 Å²	65	87.3 Å²	87.3	30%	0.304	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.8	173.7	-174.8	180	169.5	0	0	108.5	W637 W640 T653 R654	W637-E674 HydrophobicContact CE3-CB 4.45Å; W637-E674 HydrophobicContact CH2-CB 3.49Å; W637-E674 VanDerWaalsContact CH2-CB 3.49Å; W637-E674 HydrophobicContact CZ2-CB 3.84Å; W637-E674 WeakPolarHBondContact CZ2-OE2 3.41Å; W637-E674 HydrophobicContact CZ3-CB 3.82Å; W637-E674 PolarHBondContact NE1-OE2 3.43Å; W640-E674 HydrophobicContact CH2-CB 4.49Å; W640-E674 HydrophobicContact CH2-CG 4.08Å; W640-E674 WeakPolarHBondContact CZ3-O 3.29Å; T653-E674 VanDerWaalsContact CA-O 3.31Å; T653-E674 WeakPolarHBondContact CA-O 3.43Å; R654-E674 HydrophobicContact CG-CB 3.97Å; R654-E674 IonicContact CZ-OE1 3.15Å; R654-E674 IonicContact CZ-OE2 3.19Å; R654-E674 PolarHBondContact N-O 2.98Å; R654-E674 IonicContact NE-OE1 2.71Å; R654-E674 IonicContact NE-OE2 3.62Å; R654-E674 PolarHBondContact NE-OE2 2.02Å; R654-E674 IonicContact NH2-OE1 2.79Å; R654-E674 PolarHBondContact NH2-OE1 3.34Å; R654-E674 IonicContact NH2-OE2 3.59Å; R654-E674 PolarHBondContact NH2-OE2 2.99Å; R654-E674 PolarHBondContact O-N 2.87Å
675	E	75.8	Confident	64.5	Low	107 Å²	107	83.6 Å²	83.6	50%	0.5	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.5	176.7	-50.2	-164	152.9	0	0	109.6	R651 R652 T653	R651-E675 WeakPolarHBondContact CD-OE2 3.32Å; R651-E675 IonicContact CZ-OE2 2.78Å; R651-E675 IonicContact NE-OE2 2.69Å; R651-E675 IonicContact NH1-OE2 3.79Å; R651-E675 PolarHBondContact NH1-OE2 2.84Å; R652-E675 WeakPolarHBondContact O-CA 3.13Å; T653-E675 HydrophobicContact CG2-CG 4.15Å
676	E	75.3	Confident	64.1	Low	77 Å²	77	80.3 Å²	80.3	36%	0.36	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.5	172.4	-172.8	-171.7	-159.9	0	0	109.9	W640 R651 R652 C678	W640-E676 HydrophobicContact CH2-CB 3.37Å; W640-E676 HydrophobicContact CH2-CG 4.47Å; W640-E676 HydrophobicContact CZ2-CB 3.86Å; W640-E676 VanDerWaalsContact CZ2-OE2 3.3Å; W640-E676 WeakPolarHBondContact CZ2-OE2 3.06Å; W640-E676 HydrophobicContact CZ3-CB 3.78Å; R651-E676 CarbonylContact C-O 3.46Å; R651-E676 VanDerWaalsContact CA-O 3.27Å; R651-E676 WeakPolarHBondContact CA-O 3.47Å; R652-E676 HydrophobicContact CG-CB 4.26Å; R652-E676 IonicContact CZ-OE2 3.68Å; R652-E676 PolarHBondContact N-O 3.03Å; R652-E676 IonicContact NE-OE2 3.97Å; R652-E676 PolarHBondContact NE-OE2 3.42Å; R652-E676 IonicContact NH2-OE1 2.64Å; R652-E676 IonicContact NH2-OE2 2.83Å; R652-E676 PolarHBondContact NH2-OE2 2.96Å; R652-E676 PolarHBondContact O-N 3.48Å; E676-C678 PolarHBondContact O-N 3.26Å
677	S	70	Confident	64	Low	85 Å²	85	82.7 Å²	82.7	59%	0.594	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.2	169.1	49.6	0	0	0	0	111.3	G650	G650-S677 WeakPolarHBondContact O-CA 3.41Å
678	C	79.5	Confident	63.4	Low	16 Å²	16	86.2 Å²	86.2	11%	0.108	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.2	171.1	53.5	0	0	0	0	110	C643 V649 G650 R651 R652 E676	C643-C678 WeakPolarHBondContact CA-SG 3.04Å; C643-C678 HydrophobicContact CB-CB 3.88Å; C643-C678 WeakPolarHBondContact CB-SG 3.15Å; C643-C678 WeakPolarHBondContact SG-CB 3.36Å; C643-C678 PolarHBondContact SG-O 2.78Å; C643-C678 CovalentContact SG-SG 2.03Å; C643-C678 PolarHBondContact SG-SG 2.9Å; V649-C678 CarbonylContact C-O 3.2Å; V649-C678 WeakPolarHBondContact CA-O 3.44Å; G650-C678 VanDerWaalsContact C-SG 3.52Å; G650-C678 PolarHBondContact N-O 3.46Å; G650-C678 PolarHBondContact O-N 3.01Å; R651-C678 PolarHBondContact N-SG 2.82Å; R652-C678 HydrophobicContact CB-CB 4.18Å; R652-C678 HydrophobicContact CG-CB 3.95Å; R652-C678 PolarHBondContact N-SG 3.09Å; E676-C678 PolarHBondContact O-N 3.26Å
679	D	75.3	Confident	63.2	Low	102 Å²	102	83.3 Å²	83.3	55%	0.545	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.9	166.7	-72.5	-25.7	0	0	0	109.4
680	G	63.9	Low	63.9	Low	8 Å²	8	86.6 Å²	86.6	8%	0.082	46%	0.459	C	S	.	.			trans	-66.4	166	164.1	0	0	0	0	0	111.4	V645 G648 K682	V645-G680 WeakPolarHBondContact O-CA 3.11Å; G648-G680 PolarHBondContact O-N 3.06Å; G680-K682 CarbonylContact O-C 3.58Å; G680-K682 PolarHBondContact O-N 3.27Å
681	I	71.4	Confident	64.9	Low	160 Å²	160	87 Å²	87	82%	0.821	46%	0.462	S	S	*	.	S	Bend	trans	-51.1	-31.7	-176.5	-57.8	170.2	0	0	0	112.6	T646	T646-I681 PolarHBondContact O-N 3.44Å
682	K	54.5	Low	65.2	Low	145 Å²	145	85.2 Å²	85.2	63%	0.63	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-103.8	126.5	166.9	-62.1	179.9	176.6	-177.7	0	110.4	T646 C647 G648 G680 T684	T646-K682 PolarHBondContact O-N 3.47Å; C647-K682 CarbonylContact C-O 3.57Å; C647-K682 VanDerWaalsContact CA-O 3.23Å; C647-K682 WeakPolarHBondContact CA-O 3.31Å; C647-K682 HydrophobicContact CB-CB 3.83Å; G648-K682 PolarHBondContact N-O 3.5Å; G680-K682 CarbonylContact O-C 3.58Å; G680-K682 PolarHBondContact O-N 3.27Å; K682-T684 PolarHBondContact O-N 3.29Å
683	R	48.3	Very low	65	Low	216 Å²	216	84.3 Å²	84.3	82%	0.815	45%	0.446	S	S	*	.	S	Bend	trans	-59.1	-19.7	178.9	-75.7	-174.6	174.4	174.4	-1.2	115.5
684	T	47.3	Very low	64.5	Low	109 Å²	109	84.7 Å²	84.7	67%	0.669	45%	0.445	S	S	*	.	S	Bend	trans	-118.9	130	176.4	47.6	0	0	0	0	110.4	K682 D686	K682-T684 PolarHBondContact O-N 3.29Å; T684-D686 PolarHBondContact O-N 2.79Å
685	C	46.3	Very low	63.9	Low	37 Å²	37	87 Å²	87	25%	0.25	47%	0.466	C	S	.	.			trans	-62.6	125.3	157.7	-74.4	0	0	0	0	107.4	C647 G648 F687	C647-C685 VanDerWaalsContact C-SG 3.58Å; C647-C685 PolarHBondContact O-SG 2.89Å; G648-C685 VanDerWaalsContact CA-SG 3.59Å; C685-F687 VanDerWaalsContact C-N 3.26Å; C685-F687 HydrophobicContact CB-CD1 4.09Å; C685-F687 HydrophobicContact CB-CD2 3.95Å; C685-F687 HydrophobicContact CB-CE1 3.74Å; C685-F687 HydrophobicContact CB-CE2 3.58Å; C685-F687 HydrophobicContact CB-CG 4.2Å; C685-F687 HydrophobicContact CB-CZ 3.47Å; C685-F687 VanDerWaalsContact CB-CZ 3.47Å; C685-F687 PolarHBondContact O-N 3.24Å
686	D	48.5	Very low	63.7	Low	106 Å²	106	85.8 Å²	85.8	57%	0.567	46%	0.457	S	S	*	.			trans	-81.2	80.7	170	-163	6.7	0	0	0	109.2	T684 S688 A689	T684-D686 PolarHBondContact O-N 2.79Å; D686-S688 PolarHBondContact O-N 3.04Å; D686-S688 WeakPolarHBondContact OD1-CB 3.15Å; D686-S688 PolarHBondContact OD1-N 2.96Å; D686-S688 PolarHBondContact OD1-OG 3.09Å; D686-A689 PolarHBondContact O-N 3.21Å; D686-A689 VanDerWaalsContact O-N 3.11Å
687	F	51	Low	63.2	Low	116 Å²	116	85 Å²	85	51%	0.509	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	1.1	174.8	-60.3	-68.3	0	0	0	113.1	C685 A689 R721	C685-F687 VanDerWaalsContact C-N 3.26Å; C685-F687 HydrophobicContact CB-CD1 4.09Å; C685-F687 HydrophobicContact CB-CD2 3.95Å; C685-F687 HydrophobicContact CB-CE1 3.74Å; C685-F687 HydrophobicContact CB-CE2 3.58Å; C685-F687 HydrophobicContact CB-CG 4.2Å; C685-F687 HydrophobicContact CB-CZ 3.47Å; C685-F687 VanDerWaalsContact CB-CZ 3.47Å; C685-F687 PolarHBondContact O-N 3.24Å; F687-A689 PolarHBondContact O-N 3.2Å; F687-R721 VanDerWaalsContact O-CZ 3.28Å; F687-R721 PolarHBondContact O-NE 2.94Å; F687-R721 PolarHBondContact O-NH2 2.77Å
688	S	49	Very low	62.3	Low	84 Å²	84	84 Å²	84	59%	0.587	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.5	165.9	-41.5	0	0	0	0	113	D686 M690 R721	D686-S688 PolarHBondContact O-N 3.04Å; D686-S688 WeakPolarHBondContact OD1-CB 3.15Å; D686-S688 PolarHBondContact OD1-N 2.96Å; D686-S688 PolarHBondContact OD1-OG 3.09Å; S688-M690 PolarHBondContact O-N 2.89Å; S688-R721 PolarHBondContact O-NH2 2.03Å
689	A	54.3	Low	61.7	Low	56 Å²	56	85.4 Å²	85.4	46%	0.463	46%	0.457	S	S	.	.	S	Bend	trans	-62.1	123.5	165.4	0	0	0	0	0	110.6	D686 F687 C691 S692 R721	D686-A689 PolarHBondContact O-N 3.21Å; D686-A689 VanDerWaalsContact O-N 3.11Å; F687-A689 PolarHBondContact O-N 3.2Å; A689-C691 PolarHBondContact O-N 3.24Å; A689-S692 PolarHBondContact O-N 3.19Å; A689-S692 PolarHBondContact O-OG 3.35Å; A689-R721 PolarHBondContact O-NH2 2.04Å
690	M	69.6	Low	61.1	Low	123 Å²	123	83.5 Å²	83.5	61%	0.606	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	137.5	176.8	-94.7	163.6	62.5	0	0	111.4	S688 E724 Y727	S688-M690 PolarHBondContact O-N 2.89Å; M690-E724 WeakPolarHBondContact CA-OE1 3.29Å; M690-E724 WeakPolarHBondContact CA-OE2 3.39Å; M690-E724 WeakPolarHBondContact CG-OE1 3.5Å; M690-Y727 HydrophobicContact CE-CD1 4.25Å; M690-Y727 HydrophobicContact CE-CG 4.2Å
691	C	79.5	Confident	60.7	Low	17 Å²	17	86 Å²	86	12%	0.115	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	27.4	175.2	-50.5	0	0	0	0	115.8	A689 E724 C728 I731	A689-C691 PolarHBondContact O-N 3.24Å; C691-E724 PolarHBondContact N-OE2 3.13Å; C691-C728 WeakPolarHBondContact CA-SG 3.11Å; C691-C728 HydrophobicContact CB-CB 3.7Å; C691-C728 WeakPolarHBondContact CB-SG 3.14Å; C691-C728 WeakPolarHBondContact SG-CA 3.36Å; C691-C728 WeakPolarHBondContact SG-CB 3.41Å; C691-C728 CovalentContact SG-SG 2.03Å; C691-C728 PolarHBondContact SG-SG 3.15Å; C691-I731 HydrophobicContact CB-CD1 3.63Å
692	S	72	Confident	60.6	Low	24 Å²	24	80.1 Å²	80.1	17%	0.168	44%	0.437	C	S	.	.			trans	-63	140.5	170.5	-68	0	0	0	0	112.4	A689 A720	A689-S692 PolarHBondContact O-N 3.19Å; A689-S692 PolarHBondContact O-OG 3.35Å; S692-A720 VanDerWaalsContact O-CB 3.28Å; S692-A720 WeakPolarHBondContact O-CB 3.2Å; S692-A720 PolarHBondContact O-N 3.01Å
693	L	74.2	Confident	61.5	Low	45 Å²	45	78.2 Å²	78.2	24%	0.236	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-111.8	149.9	178.8	-61.9	175.7	0	0	0	112.1	L719 I731 L743	L693-L719 HydrophobicContact CD2-CB 4.28Å; L693-L719 HydrophobicContact CD2-CD1 3.91Å; L693-L719 HydrophobicContact CD2-CG 4.03Å; L693-I731 HydrophobicContact CD1-CG2 4.2Å; L693-L743 HydrophobicContact CD1-CD1 3.53Å; L693-L743 HydrophobicContact CD2-CD1 3.9Å; L693-L743 HydrophobicContact CG-CD1 4.39Å
694	L	68.7	Low	62.4	Low	81 Å²	81	69 Å²	69	42%	0.424	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-79	162.2	170.1	-67.1	-179.3	0	0	0	112	Y718 A720	L694-Y718 PolarHBondContact N-O 2.89Å; L694-A720 HydrophobicContact CD2-CB 4.13Å; L694-A720 HydrophobicContact CG-CB 4.26Å
695	P	66.9	Low	63.5	Low	112 Å²	112	66.8 Å²	66.8	73%	0.727	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-58.7	156.9	173.7	-24.7	35.2	0	0	0	114
696	W	73.1	Confident	64.6	Low	82 Å²	82	68 Å²	68	31%	0.311	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-67.1	144.8	173.8	-72.6	108	0	0	0	112.7	R715 T716 R717 L743 E745	W696-R715 HydrophobicContact CD2-CG 4.31Å; W696-R715 HydrophobicContact CE3-CB 4.3Å; W696-R715 HydrophobicContact CE3-CG 3.69Å; W696-R715 HydrophobicContact CZ3-CG 4.02Å; W696-T716 CarbonylContact C-O 3.35Å; W696-T716 WeakPolarHBondContact CA-O 2.98Å; W696-R717 HydrophobicContact CD2-CB 3.92Å; W696-R717 HydrophobicContact CD2-CG 3.92Å; W696-R717 VanDerWaalsContact CE2-CD 3.49Å; W696-R717 HydrophobicContact CE3-CB 3.79Å; W696-R717 HydrophobicContact CE3-CG 3.82Å; W696-R717 HydrophobicContact CG-CB 4.35Å; W696-R717 HydrophobicContact CH2-CG 3.91Å; W696-R717 HydrophobicContact CZ2-CG 4.02Å; W696-R717 VanDerWaalsContact CZ2-NE 3.26Å; W696-R717 HydrophobicContact CZ3-CB 4.22Å; W696-R717 HydrophobicContact CZ3-CG 3.81Å; W696-L743 HydrophobicContact CH2-CB 4.3Å; W696-E745 HydrophobicContact CH2-CB 3.76Å; W696-E745 HydrophobicContact CZ2-CB 4.48Å; W696-E745 WeakPolarHBondContact CZ2-OE2 3.5Å; W696-E745 HydrophobicContact CZ3-CB 3.97Å
697	T	63.6	Low	65.7	Low	60 Å²	60	70.1 Å²	70.1	37%	0.368	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-72.4	163.2	165.5	57.1	0	0	0	0	111.6	T716 Y718	T697-T716 WeakPolarHBondContact CG2-OG1 3.47Å; T697-T716 PolarHBondContact N-O 3.43Å; T697-T716 PolarHBondContact OG1-N 2.97Å; T697-T716 PolarHBondContact OG1-O 2.87Å; T697-T716 PolarHBondContact OG1-OG1 3.03Å; T697-Y718 HydrophobicContact CG2-CE2 4.28Å
698	A	50.9	Low	66.8	Low	64 Å²	64	71.1 Å²	71.1	53%	0.529	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.7	150.5	172.4	0	0	0	0	0	111.3
699	W	67.4	Low	67.7	Low	46 Å²	46	70 Å²	70	17%	0.174	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-60.5	141.5	175.6	-69.2	105.4	0	0	0	111.9	Q713 T714 R715 E745 R747	W699-Q713 HydrophobicContact CE3-CB 3.98Å; W699-Q713 WeakPolarHBondContact CZ3-O 3.39Å; W699-T714 VanDerWaalsContact CE3-C 3.48Å; W699-R715 HydrophobicContact CD2-CB 4.12Å; W699-R715 HydrophobicContact CD2-CG 4.13Å; W699-R715 HydrophobicContact CE3-CB 3.97Å; W699-R715 HydrophobicContact CE3-CG 3.98Å; W699-R715 HydrophobicContact CH2-CG 3.81Å; W699-R715 HydrophobicContact CZ2-CG 3.95Å; W699-R715 HydrophobicContact CZ3-CB 4.26Å; W699-R715 HydrophobicContact CZ3-CG 3.82Å; W699-E745 HydrophobicContact CH2-CB 4.45Å; W699-E745 HydrophobicContact CH2-CG 4.05Å; W699-R747 HydrophobicContact CD2-CG 4.49Å; W699-R747 HydrophobicContact CE3-CG 4.03Å; W699-R747 HydrophobicContact CH2-CB 4.04Å; W699-R747 HydrophobicContact CH2-CG 3.88Å; W699-R747 HydrophobicContact CZ2-CG 4.35Å; W699-R747 HydrophobicContact CZ3-CB 4.17Å; W699-R747 HydrophobicContact CZ3-CG 3.71Å
700	T	62	Low	69	Low	63 Å²	63	72.9 Å²	72.9	39%	0.387	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-64.2	158.8	167.7	59.7	0	0	0	0	111.3	Q713 T714	T700-Q713 VanDerWaalsContact O-CG 3.25Å; T700-Q713 WeakPolarHBondContact O-CG 3.26Å; T700-Q713 WeakPolarHBondContact OG1-CA 3.3Å; T700-T714 PolarHBondContact N-O 3.31Å; T700-T714 PolarHBondContact OG1-N 2.68Å
701	P	56.1	Low	69.3	Low	60 Å²	60	67 Å²	67	39%	0.39	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-56.6	155.9	168.1	-19.9	32.6	0	0	0	111.6	L613 K796	L613-P701 HydrophobicContact CD1-CG 3.93Å; L613-P701 HydrophobicContact CD2-CG 4.04Å; P701-K796 HydrophobicContact CG-CG 4.49Å
702	C	69.6	Low	69.5	Low	36 Å²	36	72.5 Å²	72.5	24%	0.243	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-65.3	138.8	169.1	-165.9	0	0	0	0	109.2	Q713 C749	C702-Q713 HydrophobicContact CB-CG 4.33Å; C702-Q713 VanDerWaalsContact N-NE2 3.16Å; C702-C749 WeakPolarHBondContact CA-SG 3.22Å; C702-C749 HydrophobicContact CB-CB 3.94Å; C702-C749 WeakPolarHBondContact CB-SG 3.43Å; C702-C749 WeakPolarHBondContact SG-CB 3.39Å; C702-C749 CovalentContact SG-SG 2.03Å; C702-C749 PolarHBondContact SG-SG 2.69Å
703	N	72.6	Confident	69.8	Low	105 Å²	105	71.8 Å²	71.8	56%	0.561	39%	0.393	S	S	*	.			trans	-96.3	5.5	175.9	73.6	-23.8	0	0	0	113.9	G711 W712	N703-G711 WeakPolarHBondContact OD1-CA 3.25Å; N703-W712 PolarHBondContact OD1-N 3.22Å
704	A	67.7	Low	69.9	Low	22 Å²	22	71.2 Å²	71.2	18%	0.182	39%	0.392	C	S	.	.			trans	-66.8	153.6	173.9	0	0	0	0	0	111.8	Q708	A704-Q708 WeakPolarHBondContact CA-O 3.13Å; A704-Q708 WeakPolarHBondContact CB-O 3.03Å
705	T	69.7	Low	70.3	Confident	64 Å²	64	70.4 Å²	70.4	39%	0.393	38%	0.383	S	S	.	.			trans	-126.3	169.5	172.9	67.9	0	0	0	0	110	D707 Q708	T705-D707 PolarHBondContact O-N 2.05Å; T705-D707 PolarHBondContact OG1-N 3.4Å; T705-Q708 PolarHBondContact N-O 2.93Å; T705-Q708 CarbonylContact O-C 3.54Å; T705-Q708 PolarHBondContact O-N 3.13Å; T705-Q708 VanDerWaalsContact O-N 3.1Å; T705-Q708 VanDerWaalsContact O-O 3.04Å; T705-Q708 PolarHBondContact OG1-N 3.26Å
706	C	69.8	Low	70.9	Confident	61 Å²	61	66.1 Å²	66.1	41%	0.412	36%	0.355	S	S	.	.	S	Bend	trans	-60.4	-28.6	173.8	-65	0	0	0	0	112.6	C756	C706-C756 HydrophobicContact CB-CB 3.93Å; C706-C756 WeakPolarHBondContact CB-SG 3.5Å; C706-C756 VanDerWaalsContact SG-CA 3.58Å; C706-C756 WeakPolarHBondContact SG-CB 3.28Å; C706-C756 CovalentContact SG-SG 2.04Å; C706-C756 PolarHBondContact SG-SG 2.93Å
707	D	71.2	Confident	71.2	Confident	152 Å²	152	65.8 Å²	65.8	81%	0.813	35%	0.354	S	S	*	.	S	Bend	trans	-83.8	-23.6	175.2	-49.3	-53	0	0	0	113.1	T705	T705-D707 PolarHBondContact O-N 2.05Å; T705-D707 PolarHBondContact OG1-N 3.4Å
708	Q	74	Confident	71.9	Confident	136 Å²	136	68.2 Å²	68.2	64%	0.636	36%	0.357	S	S	*	.	S	Bend	trans	-129.5	81.2	-178.8	-65	-173	-7.9	0	0	109.6	A704 T705 H710	A704-Q708 WeakPolarHBondContact CA-O 3.13Å; A704-Q708 WeakPolarHBondContact CB-O 3.03Å; T705-Q708 PolarHBondContact N-O 2.93Å; T705-Q708 CarbonylContact O-C 3.54Å; T705-Q708 PolarHBondContact O-N 3.13Å; T705-Q708 VanDerWaalsContact O-N 3.1Å; T705-Q708 VanDerWaalsContact O-O 3.04Å; T705-Q708 PolarHBondContact OG1-N 3.26Å; Q708-H710 PolarHBondContact O-N 3.04Å; Q708-H710 VanDerWaalsContact O-N 3.1Å
709	P	69.8	Low	73.2	Confident	60 Å²	60	65.8 Å²	65.8	39%	0.39	34%	0.335	S	S	.	.			trans	-70.8	-8.4	-168.1	24.3	-33.3	0	0	0	114.9	Q750 P751	P709-Q750 VanDerWaalsContact O-CA 3.24Å; P709-Q750 WeakPolarHBondContact O-CA 3.44Å; P709-Q750 VanDerWaalsContact O-CB 3.24Å; P709-Q750 WeakPolarHBondContact O-CB 3.42Å; P709-Q750 VanDerWaalsContact O-CG 3.24Å; P709-Q750 WeakPolarHBondContact O-CG 3.03Å; P709-P751 WeakPolarHBondContact O-CD 3.31Å
710	H	79.7	Confident	73.2	Confident	118 Å²	118	65.2 Å²	65.2	55%	0.546	34%	0.34	S	S	.	.			trans	-103.8	121.4	-179.4	-64.6	50.9	0	0	0	110.1	Q708 E748 Q750	Q708-H710 PolarHBondContact O-N 3.04Å; Q708-H710 VanDerWaalsContact O-N 3.1Å; H710-E748 IonicContact CD2-OE1 3.62Å; H710-Q750 PolarHBondContact CE1-NE2 3.33Å; H710-Q750 PolarHBondContact NE2-NE2 2.04Å
711	G	77.7	Confident	73.6	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	179.3	-178.5	0	0	0	0	0	113.8	N703 E748 C749	N703-G711 WeakPolarHBondContact OD1-CA 3.25Å; G711-E748 CarbonylContact O-C 3.5Å; G711-E748 WeakPolarHBondContact O-CA 3.06Å; G711-C749 PolarHBondContact N-O 2.7Å; G711-C749 PolarHBondContact O-N 3.11Å
712	W	83.8	Confident	74.4	Confident	131 Å²	131	68.3 Å²	68.3	50%	0.496	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.4	-173.4	-57.2	90.3	0	0	0	111.6	N703 M746 R747 E748 C749	N703-W712 PolarHBondContact OD1-N 3.22Å; W712-M746 HydrophobicContact CB-CE 4.29Å; W712-M746 HydrophobicContact CD2-CE 4.35Å; W712-M746 HydrophobicContact CE3-CE 4.27Å; W712-M746 HydrophobicContact CG-CE 4.36Å; W712-R747 CarbonylContact C-O 3.06Å; W712-R747 WeakPolarHBondContact CA-O 3.4Å; W712-E748 HydrophobicContact CE3-CB 4.45Å; W712-E748 HydrophobicContact CZ3-CB 4.24Å; W712-C749 PolarHBondContact N-SG 2.95Å
713	Q	76.8	Confident	74.6	Confident	9 Å²	9	71.1 Å²	71.1	4%	0.042	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.6	168.6	-63.9	-179.6	-13.2	0	0	109.9	W699 T700 C702 M746 R747 C749	W699-Q713 HydrophobicContact CE3-CB 3.98Å; W699-Q713 WeakPolarHBondContact CZ3-O 3.39Å; T700-Q713 VanDerWaalsContact O-CG 3.25Å; T700-Q713 WeakPolarHBondContact O-CG 3.26Å; T700-Q713 WeakPolarHBondContact OG1-CA 3.3Å; C702-Q713 HydrophobicContact CB-CG 4.33Å; C702-Q713 VanDerWaalsContact N-NE2 3.16Å; Q713-M746 CarbonylContact O-C 3.57Å; Q713-M746 VanDerWaalsContact O-CA 3.29Å; Q713-M746 WeakPolarHBondContact O-CA 3.38Å; Q713-R747 HydrophobicContact CB-CG 3.97Å; Q713-R747 PolarHBondContact N-O 2.73Å; Q713-R747 PolarHBondContact O-N 3.34Å; Q713-C749 HydrophobicContact CG-CB 4.37Å
714	T	77.4	Confident	74.8	Confident	34 Å²	34	66.9 Å²	66.9	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.7	-175.4	-52.6	0	0	0	0	110.9	W699 T700 E745 M746	W699-T714 VanDerWaalsContact CE3-C 3.48Å; T700-T714 PolarHBondContact N-O 3.31Å; T700-T714 PolarHBondContact OG1-N 2.68Å; T714-E745 CarbonylContact C-O 3.2Å; T714-E745 VanDerWaalsContact CA-O 3.28Å; T714-E745 WeakPolarHBondContact CA-O 3.26Å; T714-M746 HydrophobicContact CG2-CG 4.11Å
715	R	77.1	Confident	75.1	Confident	63 Å²	63	69.2 Å²	69.2	24%	0.238	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.8	164.9	65.8	174.5	179.9	-162.4	-7.1	111.4	W696 W699 R744 E745	W696-R715 HydrophobicContact CD2-CG 4.31Å; W696-R715 HydrophobicContact CE3-CB 4.3Å; W696-R715 HydrophobicContact CE3-CG 3.69Å; W696-R715 HydrophobicContact CZ3-CG 4.02Å; W699-R715 HydrophobicContact CD2-CB 4.12Å; W699-R715 HydrophobicContact CD2-CG 4.13Å; W699-R715 HydrophobicContact CE3-CB 3.97Å; W699-R715 HydrophobicContact CE3-CG 3.98Å; W699-R715 HydrophobicContact CH2-CG 3.81Å; W699-R715 HydrophobicContact CZ2-CG 3.95Å; W699-R715 HydrophobicContact CZ3-CB 4.26Å; W699-R715 HydrophobicContact CZ3-CG 3.82Å; R715-R744 WeakPolarHBondContact O-CA 3.43Å; R715-E745 HydrophobicContact CG-CB 3.93Å; R715-E745 IonicContact CZ-OE1 2.65Å; R715-E745 IonicContact CZ-OE2 2.64Å; R715-E745 PolarHBondContact N-O 3.16Å; R715-E745 VanDerWaalsContact NE-CD 3.34Å; R715-E745 IonicContact NE-OE1 3.61Å; R715-E745 IonicContact NE-OE2 3.51Å; R715-E745 PolarHBondContact NE-OE2 3.1Å; R715-E745 IonicContact NH2-OE1 2.84Å; R715-E745 PolarHBondContact NH2-OE1 2.67Å; R715-E745 IonicContact NH2-OE2 3.19Å; R715-E745 PolarHBondContact NH2-OE2 3.19Å; R715-E745 PolarHBondContact O-N 3.29Å
716	T	79.3	Confident	75.6	Confident	23 Å²	23	69.6 Å²	69.6	14%	0.141	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.2	-173.7	62.4	0	0	0	0	112.6	W696 T697 V742 L743 R744	W696-T716 CarbonylContact C-O 3.35Å; W696-T716 WeakPolarHBondContact CA-O 2.98Å; T697-T716 WeakPolarHBondContact CG2-OG1 3.47Å; T697-T716 PolarHBondContact N-O 3.43Å; T697-T716 PolarHBondContact OG1-N 2.97Å; T697-T716 PolarHBondContact OG1-O 2.87Å; T697-T716 PolarHBondContact OG1-OG1 3.03Å; T716-V742 HydrophobicContact CG2-CG1 4.47Å; T716-L743 CarbonylContact C-O 3.58Å; T716-L743 VanDerWaalsContact CA-O 3.29Å; T716-L743 WeakPolarHBondContact CA-O 3.42Å; T716-R744 HydrophobicContact CG2-CG 4.16Å
717	R	78.1	Confident	76.1	Confident	74 Å²	74	74.1 Å²	74.1	28%	0.279	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.5	167.1	64.7	177.2	171.5	172.5	0.9	110.6	W696 V742 L743	W696-R717 HydrophobicContact CD2-CB 3.92Å; W696-R717 HydrophobicContact CD2-CG 3.92Å; W696-R717 VanDerWaalsContact CE2-CD 3.49Å; W696-R717 HydrophobicContact CE3-CB 3.79Å; W696-R717 HydrophobicContact CE3-CG 3.82Å; W696-R717 HydrophobicContact CG-CB 4.35Å; W696-R717 HydrophobicContact CH2-CG 3.91Å; W696-R717 HydrophobicContact CZ2-CG 4.02Å; W696-R717 VanDerWaalsContact CZ2-NE 3.26Å; W696-R717 HydrophobicContact CZ3-CB 4.22Å; W696-R717 HydrophobicContact CZ3-CG 3.81Å; R717-V742 CarbonylContact O-C 3.55Å; R717-V742 WeakPolarHBondContact O-CA 3.41Å; R717-L743 HydrophobicContact CG-CB 3.77Å; R717-L743 HydrophobicContact CG-CD1 4.15Å; R717-L743 PolarHBondContact N-O 2.9Å; R717-L743 PolarHBondContact O-N 2.89Å
718	Y	78.2	Confident	76.5	Confident	111 Å²	111	66.9 Å²	66.9	44%	0.435	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.2	-169.6	-59.2	-98	0	0	0	111.1	L694 T697 G741 V742	L694-Y718 PolarHBondContact N-O 2.89Å; T697-Y718 HydrophobicContact CG2-CE2 4.28Å; Y718-G741 CarbonylContact C-O 3.32Å; Y718-G741 WeakPolarHBondContact CA-O 2.99Å; Y718-V742 HydrophobicContact CD1-CG2 3.57Å; Y718-V742 HydrophobicContact CE1-CG1 4.48Å; Y718-V742 HydrophobicContact CE1-CG2 3.64Å
719	L	78.6	Confident	76.8	Confident	14 Å²	14	66 Å²	66	7%	0.073	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-71.2	135	169.4	-144.6	122.6	0	0	0	110.3	L693 R721 E724 C728 F732 G741	L693-L719 HydrophobicContact CD2-CB 4.28Å; L693-L719 HydrophobicContact CD2-CD1 3.91Å; L693-L719 HydrophobicContact CD2-CG 4.03Å; L719-R721 VanDerWaalsContact C-N 3.29Å; L719-R721 WeakPolarHBondContact CD2-O 3.41Å; L719-R721 PolarHBondContact O-N 3.29Å; L719-E724 HydrophobicContact CD2-CB 4.01Å; L719-C728 HydrophobicContact CD1-CB 3.67Å; L719-F732 HydrophobicContact CD1-CE1 4.48Å; L719-F732 HydrophobicContact CD1-CE2 4.18Å; L719-F732 HydrophobicContact CD1-CZ 3.58Å; L719-G741 PolarHBondContact N-O 3.39Å
720	A	67.9	Low	77.4	Confident	34 Å²	34	70 Å²	70	28%	0.281	34%	0.342	S	S	.	.	S	Bend	trans	-69.3	-26.9	-174	0	0	0	0	0	113	S692 L694	S692-A720 VanDerWaalsContact O-CB 3.28Å; S692-A720 WeakPolarHBondContact O-CB 3.2Å; S692-A720 PolarHBondContact O-N 3.01Å; L694-A720 HydrophobicContact CD2-CB 4.13Å; L694-A720 HydrophobicContact CG-CB 4.26Å
721	R	70.4	Confident	77.4	Confident	79 Å²	79	66.6 Å²	66.6	30%	0.298	33%	0.327	S	S	.	.			trans	-130	95.1	176	-70.8	-173.3	-79.5	128.7	9.2	109.7	F687 S688 A689 L719 S723 E724	F687-R721 VanDerWaalsContact O-CZ 3.28Å; F687-R721 PolarHBondContact O-NE 2.94Å; F687-R721 PolarHBondContact O-NH2 2.77Å; S688-R721 PolarHBondContact O-NH2 2.03Å; A689-R721 PolarHBondContact O-NH2 2.04Å; L719-R721 VanDerWaalsContact C-N 3.29Å; L719-R721 WeakPolarHBondContact CD2-O 3.41Å; L719-R721 PolarHBondContact O-N 3.29Å; R721-S723 PolarHBondContact O-N 2.8Å; R721-E724 HydrophobicContact CB-CG 3.94Å; R721-E724 IonicContact CZ-OE1 3.53Å; R721-E724 IonicContact CZ-OE2 3.97Å; R721-E724 IonicContact NE-OE2 2.74Å; R721-E724 VanDerWaalsContact NH1-CD 3.27Å; R721-E724 IonicContact NH1-OE1 2.95Å; R721-E724 PolarHBondContact NH1-OE1 2.79Å; R721-E724 IonicContact NH1-OE2 3.04Å; R721-E724 VanDerWaalsContact NH2-CD 3.3Å; R721-E724 IonicContact NH2-OE1 3.27Å; R721-E724 PolarHBondContact NH2-OE1 3.31Å; R721-E724 IonicContact NH2-OE2 3.29Å; R721-E724 PolarHBondContact NH2-OE2 3.28Å; R721-E724 VanDerWaalsContact NH2-OE2 3.14Å; R721-E724 WeakPolarHBondContact O-CB 3.19Å; R721-E724 PolarHBondContact O-N 2.8Å
722	S	73.1	Confident	77.6	Confident	108 Å²	108	67.6 Å²	67.6	76%	0.755	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54.5	-24.2	-179.5	52.4	0	0	0	0	114.2	E724 K725	S722-E724 PolarHBondContact O-N 2.87Å; S722-K725 WeakPolarHBondContact O-CB 3.33Å; S722-K725 PolarHBondContact O-N 3.4Å
723	S	74.7	Confident	77.2	Confident	96 Å²	96	70.3 Å²	70.3	67%	0.671	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20.3	172.2	56.5	0	0	0	0	114.6	R721	R721-S723 PolarHBondContact O-N 2.8Å
724	E	75.4	Confident	77.2	Confident	15 Å²	15	72.1 Å²	72.1	7%	0.07	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-90.1	-0.7	-178.6	-56.5	-166.9	131.6	0	0	113.4	M690 C691 L719 R721 S722 S726 Y727 C728	M690-E724 WeakPolarHBondContact CA-OE1 3.29Å; M690-E724 WeakPolarHBondContact CA-OE2 3.39Å; M690-E724 WeakPolarHBondContact CG-OE1 3.5Å; C691-E724 PolarHBondContact N-OE2 3.13Å; L719-E724 HydrophobicContact CD2-CB 4.01Å; R721-E724 HydrophobicContact CB-CG 3.94Å; R721-E724 IonicContact CZ-OE1 3.53Å; R721-E724 IonicContact CZ-OE2 3.97Å; R721-E724 IonicContact NE-OE2 2.74Å; R721-E724 VanDerWaalsContact NH1-CD 3.27Å; R721-E724 IonicContact NH1-OE1 2.95Å; R721-E724 PolarHBondContact NH1-OE1 2.79Å; R721-E724 IonicContact NH1-OE2 3.04Å; R721-E724 VanDerWaalsContact NH2-CD 3.3Å; R721-E724 IonicContact NH2-OE1 3.27Å; R721-E724 PolarHBondContact NH2-OE1 3.31Å; R721-E724 IonicContact NH2-OE2 3.29Å; R721-E724 PolarHBondContact NH2-OE2 3.28Å; R721-E724 VanDerWaalsContact NH2-OE2 3.14Å; R721-E724 WeakPolarHBondContact O-CB 3.19Å; R721-E724 PolarHBondContact O-N 2.8Å; S722-E724 PolarHBondContact O-N 2.87Å; E724-S726 VanDerWaalsContact C-N 3.26Å; E724-S726 PolarHBondContact O-N 2.84Å; E724-Y727 PolarHBondContact O-N 2.88Å; E724-C728 PolarHBondContact O-N 2.02Å; E724-C728 PolarHBondContact O-SG 2.8Å
725	K	75.6	Confident	77.1	Confident	71 Å²	71	78 Å²	78	31%	0.309	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-39.5	-50	-176.6	177.4	-176.8	162.3	179.7	0	113.7	S722 Y727 C728 S738 N739	S722-K725 WeakPolarHBondContact O-CB 3.33Å; S722-K725 PolarHBondContact O-N 3.4Å; K725-Y727 VanDerWaalsContact C-N 3.31Å; K725-Y727 PolarHBondContact O-N 3.25Å; K725-C728 PolarHBondContact O-N 2.8Å; K725-S738 WeakPolarHBondContact CE-O 3.21Å; K725-N739 WeakPolarHBondContact CE-O 3.03Å; K725-N739 PolarHBondContact NZ-O 3.29Å; K725-N739 PolarHBondContact NZ-OD1 2.87Å
726	S	78.6	Confident	77	Confident	72 Å²	72	79.6 Å²	79.6	50%	0.503	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-67.8	-22.1	-178.7	54.4	0	0	0	0	115.2	E724	E724-S726 VanDerWaalsContact C-N 3.26Å; E724-S726 PolarHBondContact O-N 2.84Å
727	Y	80.3	Confident	76.9	Confident	157 Å²	157	79.3 Å²	79.3	62%	0.616	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-92.3	-13.4	177	-60	-82.3	0	0	0	112.2	M690 E724 K725 H730	M690-Y727 HydrophobicContact CE-CD1 4.25Å; M690-Y727 HydrophobicContact CE-CG 4.2Å; E724-Y727 PolarHBondContact O-N 2.88Å; K725-Y727 VanDerWaalsContact C-N 3.31Å; K725-Y727 PolarHBondContact O-N 3.25Å; Y727-H730 PolarHBondContact O-ND1 3.48Å
728	C	80.6	Confident	76.6	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.395	C	S	.	.			trans	-111.3	13	-170.8	-51.4	0	0	0	0	113.5	C691 L719 E724 K725 H730 I731 F732	C691-C728 WeakPolarHBondContact CA-SG 3.11Å; C691-C728 HydrophobicContact CB-CB 3.7Å; C691-C728 WeakPolarHBondContact CB-SG 3.14Å; C691-C728 WeakPolarHBondContact SG-CA 3.36Å; C691-C728 WeakPolarHBondContact SG-CB 3.41Å; C691-C728 CovalentContact SG-SG 2.03Å; C691-C728 PolarHBondContact SG-SG 3.15Å; L719-C728 HydrophobicContact CD1-CB 3.67Å; E724-C728 PolarHBondContact O-N 2.02Å; E724-C728 PolarHBondContact O-SG 2.8Å; K725-C728 PolarHBondContact O-N 2.8Å; C728-H730 PolarHBondContact O-N 2.85Å; C728-H730 VanDerWaalsContact O-N 3.12Å; C728-I731 WeakPolarHBondContact O-CB 3.35Å; C728-I731 PolarHBondContact O-N 3.39Å; C728-F732 HydrophobicContact CB-CE2 4.44Å; C728-F732 WeakPolarHBondContact O-CD2 3.42Å; C728-F732 WeakPolarHBondContact O-CE2 3.29Å
729	E	80.6	Confident	76.4	Confident	116 Å²	116	75.6 Å²	75.6	54%	0.542	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-53.6	-33.7	179.9	-64	-174.5	168.9	0	0	112.4	I731 F732	E729-I731 PolarHBondContact O-N 3.23Å; E729-F732 PolarHBondContact O-N 3.43Å
730	H	82.4	Confident	76	Confident	146 Å²	146	80.8 Å²	80.8	68%	0.676	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-60.6	-12.2	177	71.1	-91.8	0	0	0	115.7	Y727 C728	Y727-H730 PolarHBondContact O-ND1 3.48Å; C728-H730 PolarHBondContact O-N 2.85Å; C728-H730 VanDerWaalsContact O-N 3.12Å
731	I	79.8	Confident	76.3	Confident	45 Å²	45	79.7 Å²	79.7	23%	0.231	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-89.8	-26.5	179.5	-60.1	-171	0	0	0	111.8	C691 L693 C728 E729 L743	C691-I731 HydrophobicContact CB-CD1 3.63Å; L693-I731 HydrophobicContact CD1-CG2 4.2Å; C728-I731 WeakPolarHBondContact O-CB 3.35Å; C728-I731 PolarHBondContact O-N 3.39Å; E729-I731 PolarHBondContact O-N 3.23Å; I731-L743 HydrophobicContact CG2-CD1 3.73Å; I731-L743 HydrophobicContact CG2-CD2 4.33Å
732	F	81.1	Confident	76.8	Confident	22 Å²	22	76.8 Å²	76.8	10%	0.096	41%	0.408	C	S	.	.			trans	-91.8	138.9	-169.9	-55.8	-69.8	0	0	0	111.7	L719 C728 E729 E737 S738 L743	L719-F732 HydrophobicContact CD1-CE1 4.48Å; L719-F732 HydrophobicContact CD1-CE2 4.18Å; L719-F732 HydrophobicContact CD1-CZ 3.58Å; C728-F732 HydrophobicContact CB-CE2 4.44Å; C728-F732 WeakPolarHBondContact O-CD2 3.42Å; C728-F732 WeakPolarHBondContact O-CE2 3.29Å; E729-F732 PolarHBondContact O-N 3.43Å; F732-E737 HydrophobicContact CB-CB 3.95Å; F732-E737 HydrophobicContact CD1-CB 3.87Å; F732-E737 HydrophobicContact CG-CB 4.27Å; F732-S738 VanDerWaalsContact CD2-CA 3.47Å; F732-L743 HydrophobicContact CD1-CD2 4.03Å; F732-L743 HydrophobicContact CD1-CG 4Å; F732-L743 HydrophobicContact CE1-CG 4.18Å
733	Q	74.9	Confident	77.2	Confident	188 Å²	188	72.2 Å²	72.2	88%	0.879	38%	0.375	S	S	*	.	S	Bend	trans	-91.1	-21.6	-179.4	-62.7	-175.3	5.1	0	0	112.6	E737	Q733-E737 PolarHBondContact N-OE2 2.88Å
734	S	76.8	Confident	77.5	Confident	47 Å²	47	75.9 Å²	75.9	33%	0.329	37%	0.374	S	S	.	.	S	Bend	trans	-128.8	155.7	174.6	81	0	0	0	0	113.2	T736 E737 S738	S734-T736 PolarHBondContact O-N 2.73Å; S734-T736 PolarHBondContact OG-N 3.02Å; S734-T736 PolarHBondContact OG-OG1 3.04Å; S734-E737 PolarHBondContact N-OE2 3.49Å; S734-E737 WeakPolarHBondContact O-CB 3.21Å; S734-E737 PolarHBondContact O-N 2.74Å; S734-E737 WeakPolarHBondContact OG-CG 3.5Å; S734-E737 PolarHBondContact OG-N 3.05Å; S734-S738 PolarHBondContact O-N 2.93Å
735	E	74.8	Confident	78	Confident	158 Å²	158	78.5 Å²	78.5	74%	0.738	39%	0.386	S	S	*	.	H	α-helix	trans	-58.5	-28	173.1	-169.3	172.7	-162.7	0	0	112.4	N739	E735-N739 WeakPolarHBondContact O-CB 3.47Å; E735-N739 PolarHBondContact O-N 3.26Å; E735-N739 PolarHBondContact O-ND2 2.88Å
736	T	75.6	Confident	78.4	Confident	95 Å²	95	80.7 Å²	80.7	58%	0.583	40%	0.399	S	S	*	.	H	α-helix	trans	-75.6	-31.1	175.6	72.3	0	0	0	0	113.3	S734 N740	S734-T736 PolarHBondContact O-N 2.73Å; S734-T736 PolarHBondContact OG-N 3.02Å; S734-T736 PolarHBondContact OG-OG1 3.04Å; T736-N740 PolarHBondContact O-N 3.31Å; T736-N740 PolarHBondContact O-ND2 2.7Å
737	E	77	Confident	78.6	Confident	17 Å²	17	82.6 Å²	82.6	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-72.2	-48	173.6	-73.1	-169.6	135.3	0	0	110.4	F732 Q733 S734 N739 N740 G741 V742 L743 R744	F732-E737 HydrophobicContact CB-CB 3.95Å; F732-E737 HydrophobicContact CD1-CB 3.87Å; F732-E737 HydrophobicContact CG-CB 4.27Å; Q733-E737 PolarHBondContact N-OE2 2.88Å; S734-E737 PolarHBondContact N-OE2 3.49Å; S734-E737 WeakPolarHBondContact O-CB 3.21Å; S734-E737 PolarHBondContact O-N 2.74Å; S734-E737 WeakPolarHBondContact OG-CG 3.5Å; S734-E737 PolarHBondContact OG-N 3.05Å; E737-N739 VanDerWaalsContact C-N 3.34Å; E737-N739 PolarHBondContact O-N 2.67Å; E737-N740 PolarHBondContact O-N 2.88Å; E737-G741 PolarHBondContact O-N 2.9Å; E737-V742 WeakPolarHBondContact CA-O 3.33Å; E737-V742 WeakPolarHBondContact CB-O 3.26Å; E737-V742 VanDerWaalsContact CG-O 3.24Å; E737-V742 WeakPolarHBondContact CG-O 3.45Å; E737-V742 PolarHBondContact O-N 2.94Å; E737-V742 VanDerWaalsContact O-N 3.13Å; E737-L743 WeakPolarHBondContact OE1-CA 3.27Å; E737-R744 PolarHBondContact OE1-N 2.91Å
738	S	72.2	Confident	78.8	Confident	20 Å²	20	80.5 Å²	80.5	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-55.6	-49.3	174	179.6	0	0	0	0	110.8	K725 F732 S734 N740 G741	K725-S738 WeakPolarHBondContact CE-O 3.21Å; F732-S738 VanDerWaalsContact CD2-CA 3.47Å; S734-S738 PolarHBondContact O-N 2.93Å; S738-N740 PolarHBondContact O-N 2.84Å; S738-N740 VanDerWaalsContact O-N 3.16Å; S738-G741 PolarHBondContact O-N 3.04Å
739	N	74	Confident	78.7	Confident	88 Å²	88	81.3 Å²	81.3	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-31	-176.2	-91.6	-49.1	0	0	0	114.7	K725 E735 E737	K725-N739 WeakPolarHBondContact CE-O 3.03Å; K725-N739 PolarHBondContact NZ-O 3.29Å; K725-N739 PolarHBondContact NZ-OD1 2.87Å; E735-N739 WeakPolarHBondContact O-CB 3.47Å; E735-N739 PolarHBondContact O-N 3.26Å; E735-N739 PolarHBondContact O-ND2 2.88Å; E737-N739 VanDerWaalsContact C-N 3.34Å; E737-N739 PolarHBondContact O-N 2.67Å
740	N	69.9	Low	78.3	Confident	123 Å²	123	80.6 Å²	80.6	66%	0.658	39%	0.393	S	S	*	.	H	α-helix	trans	-99.9	-11.1	-178.7	-66.1	-61.2	0	0	0	113.9	T736 E737 S738 V742	T736-N740 PolarHBondContact O-N 3.31Å; T736-N740 PolarHBondContact O-ND2 2.7Å; E737-N740 PolarHBondContact O-N 2.88Å; S738-N740 PolarHBondContact O-N 2.84Å; S738-N740 VanDerWaalsContact O-N 3.16Å; N740-V742 VanDerWaalsContact C-N 3.29Å; N740-V742 HydrophobicContact CB-CB 4.28Å; N740-V742 HydrophobicContact CB-CG2 3.91Å
741	G	74.6	Confident	77.4	Confident	11 Å²	11	75.6 Å²	75.6	11%	0.113	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	31.7	-170.7	0	0	0	0	0	112.7	Y718 L719 E737 S738	Y718-G741 CarbonylContact C-O 3.32Å; Y718-G741 WeakPolarHBondContact CA-O 2.99Å; L719-G741 PolarHBondContact N-O 3.39Å; E737-G741 PolarHBondContact O-N 2.9Å; S738-G741 PolarHBondContact O-N 3.04Å
742	V	80.3	Confident	76.7	Confident	18 Å²	18	77 Å²	77	11%	0.109	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.1	-172.9	-178.3	0	0	0	0	109.9	T716 R717 Y718 E737 N740 R744	T716-V742 HydrophobicContact CG2-CG1 4.47Å; R717-V742 CarbonylContact O-C 3.55Å; R717-V742 WeakPolarHBondContact O-CA 3.41Å; Y718-V742 HydrophobicContact CD1-CG2 3.57Å; Y718-V742 HydrophobicContact CE1-CG1 4.48Å; Y718-V742 HydrophobicContact CE1-CG2 3.64Å; E737-V742 WeakPolarHBondContact CA-O 3.33Å; E737-V742 WeakPolarHBondContact CB-O 3.26Å; E737-V742 VanDerWaalsContact CG-O 3.24Å; E737-V742 WeakPolarHBondContact CG-O 3.45Å; E737-V742 PolarHBondContact O-N 2.94Å; E737-V742 VanDerWaalsContact O-N 3.13Å; N740-V742 VanDerWaalsContact C-N 3.29Å; N740-V742 HydrophobicContact CB-CB 4.28Å; N740-V742 HydrophobicContact CB-CG2 3.91Å; V742-R744 HydrophobicContact CG1-CG 4.37Å
743	L	81.6	Confident	76	Confident	11 Å²	11	85 Å²	85	6%	0.058	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.1	168.5	-69.3	145.4	0	0	0	109.6	L693 W696 T716 R717 I731 F732 E737	L693-L743 HydrophobicContact CD1-CD1 3.53Å; L693-L743 HydrophobicContact CD2-CD1 3.9Å; L693-L743 HydrophobicContact CG-CD1 4.39Å; W696-L743 HydrophobicContact CH2-CB 4.3Å; T716-L743 CarbonylContact C-O 3.58Å; T716-L743 VanDerWaalsContact CA-O 3.29Å; T716-L743 WeakPolarHBondContact CA-O 3.42Å; R717-L743 HydrophobicContact CG-CB 3.77Å; R717-L743 HydrophobicContact CG-CD1 4.15Å; R717-L743 PolarHBondContact N-O 2.9Å; R717-L743 PolarHBondContact O-N 2.89Å; I731-L743 HydrophobicContact CG2-CD1 3.73Å; I731-L743 HydrophobicContact CG2-CD2 4.33Å; F732-L743 HydrophobicContact CD1-CD2 4.03Å; F732-L743 HydrophobicContact CD1-CG 4Å; F732-L743 HydrophobicContact CE1-CG 4.18Å; E737-L743 WeakPolarHBondContact OE1-CA 3.27Å
744	R	81.4	Confident	75.5	Confident	174 Å²	174	79.8 Å²	79.8	66%	0.657	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.2	178.5	-62	-167.8	164.7	-164.1	-3.2	110.9	R715 T716 E737 V742	R715-R744 WeakPolarHBondContact O-CA 3.43Å; T716-R744 HydrophobicContact CG2-CG 4.16Å; E737-R744 PolarHBondContact OE1-N 2.91Å; V742-R744 HydrophobicContact CG1-CG 4.37Å
745	E	85.1	Confident	74.9	Confident	70 Å²	70	79.3 Å²	79.3	33%	0.327	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.1	174.3	-170	-175.2	153.1	0	0	109	W696 W699 T714 R715	W696-E745 HydrophobicContact CH2-CB 3.76Å; W696-E745 HydrophobicContact CZ2-CB 4.48Å; W696-E745 WeakPolarHBondContact CZ2-OE2 3.5Å; W696-E745 HydrophobicContact CZ3-CB 3.97Å; W699-E745 HydrophobicContact CH2-CB 4.45Å; W699-E745 HydrophobicContact CH2-CG 4.05Å; T714-E745 CarbonylContact C-O 3.2Å; T714-E745 VanDerWaalsContact CA-O 3.28Å; T714-E745 WeakPolarHBondContact CA-O 3.26Å; R715-E745 HydrophobicContact CG-CB 3.93Å; R715-E745 IonicContact CZ-OE1 2.65Å; R715-E745 IonicContact CZ-OE2 2.64Å; R715-E745 PolarHBondContact N-O 3.16Å; R715-E745 VanDerWaalsContact NE-CD 3.34Å; R715-E745 IonicContact NE-OE1 3.61Å; R715-E745 IonicContact NE-OE2 3.51Å; R715-E745 PolarHBondContact NE-OE2 3.1Å; R715-E745 IonicContact NH2-OE1 2.84Å; R715-E745 PolarHBondContact NH2-OE1 2.67Å; R715-E745 IonicContact NH2-OE2 3.19Å; R715-E745 PolarHBondContact NH2-OE2 3.19Å; R715-E745 PolarHBondContact O-N 3.29Å
746	M	83.9	Confident	74.8	Confident	117 Å²	117	73.9 Å²	73.9	58%	0.576	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.8	-176.9	-68.3	178.9	62.6	0	0	110.6	W712 Q713 T714	W712-M746 HydrophobicContact CB-CE 4.29Å; W712-M746 HydrophobicContact CD2-CE 4.35Å; W712-M746 HydrophobicContact CE3-CE 4.27Å; W712-M746 HydrophobicContact CG-CE 4.36Å; Q713-M746 CarbonylContact O-C 3.57Å; Q713-M746 VanDerWaalsContact O-CA 3.29Å; Q713-M746 WeakPolarHBondContact O-CA 3.38Å; T714-M746 HydrophobicContact CG2-CG 4.11Å
747	R	84	Confident	75	Confident	112 Å²	112	72.4 Å²	72.4	42%	0.423	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.7	172.5	71.7	179.3	-172.5	168.8	3.8	111.4	W699 W712 Q713	W699-R747 HydrophobicContact CD2-CG 4.49Å; W699-R747 HydrophobicContact CE3-CG 4.03Å; W699-R747 HydrophobicContact CH2-CB 4.04Å; W699-R747 HydrophobicContact CH2-CG 3.88Å; W699-R747 HydrophobicContact CZ2-CG 4.35Å; W699-R747 HydrophobicContact CZ3-CB 4.17Å; W699-R747 HydrophobicContact CZ3-CG 3.71Å; W712-R747 CarbonylContact C-O 3.06Å; W712-R747 WeakPolarHBondContact CA-O 3.4Å; Q713-R747 HydrophobicContact CB-CG 3.97Å; Q713-R747 PolarHBondContact N-O 2.73Å; Q713-R747 PolarHBondContact O-N 3.34Å
748	E	84.2	Confident	75.3	Confident	113 Å²	113	73.9 Å²	73.9	53%	0.528	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	154.3	175.2	-167.9	169.6	-165.4	0	0	111.6	H710 G711 W712	H710-E748 IonicContact CD2-OE1 3.62Å; G711-E748 CarbonylContact O-C 3.5Å; G711-E748 WeakPolarHBondContact O-CA 3.06Å; W712-E748 HydrophobicContact CE3-CB 4.45Å; W712-E748 HydrophobicContact CZ3-CB 4.24Å
749	C	78	Confident	75.8	Confident	16 Å²	16	73.3 Å²	73.3	11%	0.108	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	156.3	178.2	59	0	0	0	0	111.8	C702 G711 W712 Q713	C702-C749 WeakPolarHBondContact CA-SG 3.22Å; C702-C749 HydrophobicContact CB-CB 3.94Å; C702-C749 WeakPolarHBondContact CB-SG 3.43Å; C702-C749 WeakPolarHBondContact SG-CB 3.39Å; C702-C749 CovalentContact SG-SG 2.03Å; C702-C749 PolarHBondContact SG-SG 2.69Å; G711-C749 PolarHBondContact N-O 2.7Å; G711-C749 PolarHBondContact O-N 3.11Å; W712-C749 PolarHBondContact N-SG 2.95Å; Q713-C749 HydrophobicContact CG-CB 4.37Å
750	Q	71.8	Confident	76.2	Confident	102 Å²	102	71.7 Å²	71.7	48%	0.477	36%	0.359	S	S	.	.			trans	-142.6	147.6	178.9	-55.6	-171.6	-31.6	0	0	110.3	P709 H710	P709-Q750 VanDerWaalsContact O-CA 3.24Å; P709-Q750 WeakPolarHBondContact O-CA 3.44Å; P709-Q750 VanDerWaalsContact O-CB 3.24Å; P709-Q750 WeakPolarHBondContact O-CB 3.42Å; P709-Q750 VanDerWaalsContact O-CG 3.24Å; P709-Q750 WeakPolarHBondContact O-CG 3.03Å; H710-Q750 PolarHBondContact CE1-NE2 3.33Å; H710-Q750 PolarHBondContact NE2-NE2 2.04Å
751	P	65.2	Low	77	Confident	40 Å²	40	66.9 Å²	66.9	26%	0.26	33%	0.333	S	S	.	.			trans	-74.9	153.3	176	32.5	-32.6	0	0	0	110.9	P709	P709-P751 WeakPolarHBondContact O-CD 3.31Å
752	K	65	Low	77.7	Confident	76 Å²	76	66.3 Å²	66.3	33%	0.33	33%	0.327	S	S	.	.			trans	-81.5	145.9	176.5	-63.9	-180	170.1	-176.1	0	110.4	D616 N617 T754 D755	D616-K752 HydrophobicContact CB-CD 3.91Å; D616-K752 HydrophobicContact CB-CG 4.14Å; D616-K752 VanDerWaalsContact O-CE 3.25Å; D616-K752 WeakPolarHBondContact O-CE 3.34Å; D616-K752 PolarHBondContact O-NZ 2.75Å; N617-K752 PolarHBondContact OD1-NZ 2.89Å; K752-T754 PolarHBondContact O-N 3.12Å; K752-D755 WeakPolarHBondContact CB-OD2 3.36Å; K752-D755 PolarHBondContact N-OD2 3.03Å; K752-D755 WeakPolarHBondContact O-CB 3.03Å; K752-D755 PolarHBondContact O-N 3.21Å
753	E	64.9	Low	77.9	Confident	188 Å²	188	67.1 Å²	67.1	88%	0.879	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-52.8	-33.1	179	-64.7	-177	158.8	0	0	113	D755	E753-D755 VanDerWaalsContact C-N 3.3Å; E753-D755 PolarHBondContact O-N 2.98Å
754	T	65.2	Low	77.8	Confident	79 Å²	79	68.5 Å²	68.5	49%	0.485	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-67.5	-25.4	177.7	51.4	0	0	0	0	114.7	K752 C756 T760	K752-T754 PolarHBondContact O-N 3.12Å; T754-C756 VanDerWaalsContact C-N 3.26Å; T754-C756 PolarHBondContact O-N 3.38Å; T754-T760 PolarHBondContact O-OG1 3.12Å
755	D	63.7	Low	77.7	Confident	38 Å²	38	60.3 Å²	60.3	20%	0.203	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-78.9	-17.9	-173.8	-54.5	-20.4	0	0	0	111	K752 E753 L799	K752-D755 WeakPolarHBondContact CB-OD2 3.36Å; K752-D755 PolarHBondContact N-OD2 3.03Å; K752-D755 WeakPolarHBondContact O-CB 3.03Å; K752-D755 PolarHBondContact O-N 3.21Å; E753-D755 VanDerWaalsContact C-N 3.3Å; E753-D755 PolarHBondContact O-N 2.98Å; D755-L799 WeakPolarHBondContact O-CD1 3.03Å
756	C	73.1	Confident	77.7	Confident	44 Å²	44	60 Å²	60	30%	0.297	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-96.4	3.3	178.2	-59.7	0	0	0	0	113.9	C706 T754 P758	C706-C756 HydrophobicContact CB-CB 3.93Å; C706-C756 WeakPolarHBondContact CB-SG 3.5Å; C706-C756 VanDerWaalsContact SG-CA 3.58Å; C706-C756 WeakPolarHBondContact SG-CB 3.28Å; C706-C756 CovalentContact SG-SG 2.04Å; C706-C756 PolarHBondContact SG-SG 2.93Å; T754-C756 VanDerWaalsContact C-N 3.26Å; T754-C756 PolarHBondContact O-N 3.38Å; C756-P758 WeakPolarHBondContact O-CD 3.44Å
757	D	80.9	Confident	77.5	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.342	30%	0.295	S	S	.	.			trans	-66.4	124.4	171.1	171.5	14.1	0	0	0	110.2	A759 T760 I761	D757-A759 PolarHBondContact O-N 3.3Å; D757-A759 VanDerWaalsContact O-N 3.14Å; D757-A759 PolarHBondContact OD1-N 3.48Å; D757-T760 WeakPolarHBondContact O-CA 3.22Å; D757-T760 WeakPolarHBondContact O-CB 3.32Å; D757-T760 PolarHBondContact O-N 2.79Å; D757-I761 PolarHBondContact O-N 2.07Å
758	P	83.4	Confident	77.2	Confident	47 Å²	47	54.2 Å²	54.2	31%	0.305	28%	0.281	S	S	.	.	H	α-helix	trans	-48.7	-38.4	173.5	-30	36.6	0	0	0	114	C756 T760 C762 L811 A815	C756-P758 WeakPolarHBondContact O-CD 3.44Å; P758-T760 VanDerWaalsContact C-N 3.35Å; P758-T760 PolarHBondContact O-N 3.39Å; P758-C762 VanDerWaalsContact O-CB 3.28Å; P758-C762 WeakPolarHBondContact O-CB 2.97Å; P758-C762 PolarHBondContact O-N 2.61Å; P758-C762 PolarHBondContact O-SG 2.78Å; P758-L811 HydrophobicContact CB-CD1 4.02Å; P758-L811 HydrophobicContact CB-CG 4.07Å; P758-L811 HydrophobicContact CG-CD1 3.92Å; P758-L811 HydrophobicContact CG-CG 4.49Å; P758-A815 HydrophobicContact CB-CB 3.8Å
759	A	82.1	Confident	76.6	Confident	9 Å²	9	50.4 Å²	50.4	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-32.6	178.2	0	0	0	0	0	112.5	D757 S763 L819	D757-A759 PolarHBondContact O-N 3.3Å; D757-A759 VanDerWaalsContact O-N 3.14Å; D757-A759 PolarHBondContact OD1-N 3.48Å; A759-S763 VanDerWaalsContact O-CB 3.22Å; A759-S763 WeakPolarHBondContact O-CB 3.42Å; A759-S763 PolarHBondContact O-N 2.72Å; A759-S763 PolarHBondContact O-OG 3.3Å; A759-L819 HydrophobicContact CB-CD1 4.34Å; A759-L819 HydrophobicContact CB-CD2 4.45Å
760	T	81.6	Confident	76.3	Confident	54 Å²	54	53.8 Å²	53.8	33%	0.331	29%	0.288	S	S	.	.	H	α-helix	trans	-68	-52.9	172.6	-61.2	0	0	0	0	110.4	T754 D757 P758 C762 S763 E764	T754-T760 PolarHBondContact O-OG1 3.12Å; D757-T760 WeakPolarHBondContact O-CA 3.22Å; D757-T760 WeakPolarHBondContact O-CB 3.32Å; D757-T760 PolarHBondContact O-N 2.79Å; P758-T760 VanDerWaalsContact C-N 3.35Å; P758-T760 PolarHBondContact O-N 3.39Å; T760-C762 VanDerWaalsContact C-N 3.34Å; T760-C762 PolarHBondContact O-N 3.22Å; T760-S763 PolarHBondContact O-N 2.84Å; T760-S763 PolarHBondContact O-OG 2.71Å; T760-E764 PolarHBondContact O-N 3.35Å
761	I	86.3	Confident	76.4	Confident	21 Å²	21	55 Å²	55	11%	0.108	29%	0.294	C	S	.	.	H	α-helix	trans	-52.7	-52.7	178.9	-65.5	169.8	0	0	0	110.3	D757 S763 E764 L799 N800 F802 L811	D757-I761 PolarHBondContact O-N 2.07Å; I761-S763 PolarHBondContact O-N 3.37Å; I761-E764 PolarHBondContact O-N 2.64Å; I761-L799 HydrophobicContact CG1-CB 4.24Å; I761-L799 HydrophobicContact CG1-CD1 4.34Å; I761-L799 HydrophobicContact CG2-CB 4.21Å; I761-L799 WeakPolarHBondContact CG2-O 3.18Å; I761-N800 WeakPolarHBondContact O-CB 3.35Å; I761-F802 HydrophobicContact CG2-CZ 3.91Å; I761-L811 HydrophobicContact CD1-CD2 4.28Å; I761-L811 HydrophobicContact CG2-CD2 4.27Å
762	C	89.7	Confident	76.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.4	-176.6	-54.1	0	0	0	0	113.6	P758 T760 Y780 C812 V816 Q831	P758-C762 VanDerWaalsContact O-CB 3.28Å; P758-C762 WeakPolarHBondContact O-CB 2.97Å; P758-C762 PolarHBondContact O-N 2.61Å; P758-C762 PolarHBondContact O-SG 2.78Å; T760-C762 VanDerWaalsContact C-N 3.34Å; T760-C762 PolarHBondContact O-N 3.22Å; C762-Y780 HydrophobicContact CB-CD1 4.11Å; C762-Y780 WeakPolarHBondContact O-CD1 3.47Å; C762-C812 HydrophobicContact CB-CB 3.63Å; C762-C812 WeakPolarHBondContact CB-SG 3.36Å; C762-C812 WeakPolarHBondContact SG-CA 3.42Å; C762-C812 WeakPolarHBondContact SG-CB 3.49Å; C762-C812 CovalentContact SG-SG 2.02Å; C762-C812 PolarHBondContact SG-SG 3.23Å; C762-V816 HydrophobicContact CB-CG2 4.11Å; C762-Q831 PolarHBondContact O-NE2 3.31Å
763	S	84.1	Confident	77.3	Confident	34 Å²	34	55.2 Å²	55.2	24%	0.238	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-18.4	173	73.6	0	0	0	0	114.2	A759 T760 I761 Q831	A759-S763 VanDerWaalsContact O-CB 3.22Å; A759-S763 WeakPolarHBondContact O-CB 3.42Å; A759-S763 PolarHBondContact O-N 2.72Å; A759-S763 PolarHBondContact O-OG 3.3Å; T760-S763 PolarHBondContact O-N 2.84Å; T760-S763 PolarHBondContact O-OG 2.71Å; I761-S763 PolarHBondContact O-N 3.37Å; S763-Q831 WeakPolarHBondContact O-CG 3.11Å
764	E	79.4	Confident	77.7	Confident	41 Å²	41	48.8 Å²	48.8	19%	0.192	29%	0.29	C	S	.	.	S	Bend	trans	-71.9	141	179.7	-166.1	-175.8	-156	0	0	111.1	T760 I761 K767 G798 L799 N800 Q831	T760-E764 PolarHBondContact O-N 3.35Å; I761-E764 PolarHBondContact O-N 2.64Å; E764-K767 WeakPolarHBondContact OE1-CD 3.25Å; E764-K767 WeakPolarHBondContact OE1-CE 3.42Å; E764-K767 IonicContact OE1-NZ 3.83Å; E764-K767 PolarHBondContact OE1-NZ 3.46Å; E764-G798 WeakPolarHBondContact OE1-CA 3.19Å; E764-G798 WeakPolarHBondContact OE2-CA 3.31Å; E764-L799 PolarHBondContact OE2-N 2.93Å; E764-N800 HydrophobicContact CB-CB 4.11Å; E764-N800 PolarHBondContact O-ND2 2.89Å; E764-N800 PolarHBondContact OE2-N 3.25Å; E764-Q831 PolarHBondContact O-NE2 2.86Å
765	G	80.7	Confident	78.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.01	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-73.8	169.4	172.2	0	0	0	0	0	113.4	K767 T834	G765-K767 PolarHBondContact O-N 2.91Å; G765-T834 VanDerWaalsContact CA-OG1 3.31Å; G765-T834 WeakPolarHBondContact CA-OG1 3.36Å; G765-T834 PolarHBondContact N-OG1 3.17Å
766	R	84.3	Confident	79.7	Confident	63 Å²	63	51.4 Å²	51.4	24%	0.238	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-55	132.8	173.6	-162.8	-174.1	90.7	-157	4.1	110.5	D768 Y779 F790 A838	R766-D768 WeakPolarHBondContact CG-OD1 3.25Å; R766-D768 IonicContact CZ-OD1 3.16Å; R766-D768 IonicContact CZ-OD2 3.54Å; R766-D768 IonicContact NE-OD1 2.76Å; R766-D768 PolarHBondContact NE-OD1 2.82Å; R766-D768 IonicContact NE-OD2 2.91Å; R766-D768 IonicContact NH2-OD1 2.76Å; R766-D768 IonicContact NH2-OD2 3.61Å; R766-D768 PolarHBondContact NH2-OD2 2.79Å; R766-Y779 HydrophobicContact CB-CD1 4.43Å; R766-Y779 HydrophobicContact CB-CD2 3.89Å; R766-Y779 HydrophobicContact CB-CE1 4.39Å; R766-Y779 HydrophobicContact CB-CE2 3.84Å; R766-Y779 HydrophobicContact CB-CG 4.19Å; R766-Y779 HydrophobicContact CG-CD1 3.88Å; R766-Y779 HydrophobicContact CG-CD2 4.23Å; R766-Y779 HydrophobicContact CG-CE1 3.94Å; R766-Y779 HydrophobicContact CG-CE2 4.28Å; R766-Y779 HydrophobicContact CG-CG 4.03Å; R766-F790 HydrophobicContact CG-CB 4.2Å; R766-F790 HydrophobicContact CG-CD2 3.7Å; R766-F790 HydrophobicContact CG-CE2 4.15Å; R766-F790 HydrophobicContact CG-CG 3.95Å; R766-A838 WeakPolarHBondContact O-CB 3.38Å
767	K	79.9	Confident	80.5	Confident	86 Å²	86	49.5 Å²	49.5	37%	0.374	30%	0.298	S	S	.	.			trans	-135.3	99.1	176.2	-75.4	-177.8	-176.8	172.4	0	110.7	E764 G765 G769 G797	E764-K767 WeakPolarHBondContact OE1-CD 3.25Å; E764-K767 WeakPolarHBondContact OE1-CE 3.42Å; E764-K767 IonicContact OE1-NZ 3.83Å; E764-K767 PolarHBondContact OE1-NZ 3.46Å; G765-K767 PolarHBondContact O-N 2.91Å; K767-G769 VanDerWaalsContact C-N 3.27Å; K767-G769 PolarHBondContact O-N 2.84Å; K767-G797 WeakPolarHBondContact O-CA 3.21Å
768	D	77.7	Confident	81.1	Confident	23 Å²	23	49.6 Å²	49.6	12%	0.123	29%	0.294	C	S	.	.			trans	-66.1	-30.3	-173.9	-58.3	-3.2	0	0	0	111.8	R766 Y792 L793	R766-D768 WeakPolarHBondContact CG-OD1 3.25Å; R766-D768 IonicContact CZ-OD1 3.16Å; R766-D768 IonicContact CZ-OD2 3.54Å; R766-D768 IonicContact NE-OD1 2.76Å; R766-D768 PolarHBondContact NE-OD1 2.82Å; R766-D768 IonicContact NE-OD2 2.91Å; R766-D768 IonicContact NH2-OD1 2.76Å; R766-D768 IonicContact NH2-OD2 3.61Å; R766-D768 PolarHBondContact NH2-OD2 2.79Å; D768-Y792 VanDerWaalsContact O-CD2 3.25Å; D768-Y792 WeakPolarHBondContact O-CD2 3.43Å; D768-L793 HydrophobicContact CB-CD1 4.26Å; D768-L793 HydrophobicContact CB-CG 4.29Å; D768-L793 WeakPolarHBondContact O-CB 3.43Å; D768-L793 WeakPolarHBondContact O-CG 3.49Å; D768-L793 PolarHBondContact O-N 2.8Å
769	G	72.5	Confident	81.4	Confident	32 Å²	32	49 Å²	49	33%	0.33	29%	0.286	S	S	.	.			trans	90.8	-147.3	172.9	0	0	0	0	0	113.9	K767 C795	K767-G769 VanDerWaalsContact C-N 3.27Å; K767-G769 PolarHBondContact O-N 2.84Å; G769-C795 CarbonylContact C-O 3.54Å; G769-C795 WeakPolarHBondContact CA-O 3.39Å
770	I	69.9	Low	81.9	Confident	88 Å²	88	48.8 Å²	48.8	45%	0.451	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.7	174.7	-58.1	-174.8	0	0	0	108.5	C772 L793 C795 K796	I770-C772 PolarHBondContact O-N 3.19Å; I770-L793 CarbonylContact O-C 3.38Å; I770-C795 HydrophobicContact CB-CB 4.48Å; I770-C795 PolarHBondContact N-O 2.9Å; I770-C795 PolarHBondContact O-N 3.18Å; I770-C795 VanDerWaalsContact O-N 3.1Å; I770-K796 HydrophobicContact CD1-CD 3.65Å; I770-K796 HydrophobicContact CD1-CG 4.42Å; I770-K796 HydrophobicContact CG1-CD 4.3Å
771	E	74.4	Confident	82.1	Confident	128 Å²	128	46.7 Å²	46.7	60%	0.598	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	109.4	-177	-157	143.8	-134.2	0	0	112.1	K791 L793	E771-K791 IonicContact OE1-NZ 3.58Å; E771-K791 PolarHBondContact OE1-NZ 2.85Å; E771-L793 WeakPolarHBondContact CA-O 3.31Å; E771-L793 HydrophobicContact CB-CB 4.28Å
772	C	75	Confident	81.9	Confident	78 Å²	78	45.8 Å²	45.8	53%	0.527	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	-0.4	173.6	78.5	0	0	0	0	113.2	I770 L793 C795	I770-C772 PolarHBondContact O-N 3.19Å; C772-L793 PolarHBondContact N-O 3.24Å; C772-C795 HydrophobicContact CB-CB 3.98Å; C772-C795 WeakPolarHBondContact CB-SG 3.38Å; C772-C795 WeakPolarHBondContact SG-CB 3.34Å; C772-C795 PolarHBondContact SG-N 2.83Å; C772-C795 CovalentContact SG-SG 2.04Å; C772-C795 PolarHBondContact SG-SG 3.4Å
773	G	73.6	Confident	81.1	Confident	41 Å²	41	46.9 Å²	46.9	42%	0.423	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	91	179.4	0	0	0	0	0	109.3	V775 L793 G794	G773-V775 PolarHBondContact O-N 3.37Å; G773-L793 CarbonylContact C-O 3.57Å; G773-L793 PolarHBondContact N-O 2.97Å; G773-G794 WeakPolarHBondContact O-CA 3.08Å
774	A	74.5	Confident	80.9	Confident	53 Å²	53	48.6 Å²	48.6	44%	0.438	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.4	-172.2	0	0	0	0	0	112.5	K791 Y792	A774-K791 HydrophobicContact CB-CD 4.47Å; A774-K791 HydrophobicContact CB-CG 4.36Å; A774-Y792 CarbonylContact C-O 3.47Å; A774-Y792 VanDerWaalsContact CA-O 3.26Å; A774-Y792 WeakPolarHBondContact CA-O 3.14Å
775	V	84.5	Confident	81	Confident	87 Å²	87	49.1 Å²	49.1	53%	0.527	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.7	-179.4	-176.1	0	0	0	0	109.3	G773 Y792	G773-V775 PolarHBondContact O-N 3.37Å; V775-Y792 PolarHBondContact N-O 2.85Å; V775-Y792 PolarHBondContact O-N 2.81Å
776	S	86.6	Confident	81.3	Confident	86 Å²	86	50.4 Å²	50.4	60%	0.601	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	129.1	170.6	-171.9	0	0	0	0	109.6
777	A	89.8	Confident	81.7	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.033	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	169	179.9	0	0	0	0	0	110.1	P789 F790 R801 F802	A777-P789 CarbonylContact O-C 3.55Å; A777-P789 WeakPolarHBondContact O-CA 3.3Å; A777-F790 HydrophobicContact CB-CD1 4.21Å; A777-F790 HydrophobicContact CB-CE1 3.73Å; A777-F790 HydrophobicContact CB-CZ 4.29Å; A777-F790 PolarHBondContact N-O 2.87Å; A777-F790 VanDerWaalsContact O-CD1 3.32Å; A777-F790 WeakPolarHBondContact O-CD1 3.39Å; A777-F790 PolarHBondContact O-N 2.86Å; A777-F790 VanDerWaalsContact O-O 3.13Å; A777-R801 HydrophobicContact CB-CG 3.64Å; A777-F802 CarbonylContact C-O 3.52Å; A777-F802 WeakPolarHBondContact CA-O 3.3Å; A777-F802 WeakPolarHBondContact CB-O 3.01Å
778	Y	92.4	Very high	82.2	Confident	65 Å²	65	45.9 Å²	45.9	26%	0.255	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148	175	-69.7	-96	0	0	0	110.7	L788 P789 R801 F802 T804 K805	Y778-L788 CarbonylContact C-O 3.58Å; Y778-L788 WeakPolarHBondContact CA-O 3.28Å; Y778-P789 HydrophobicContact CD1-CB 4.23Å; Y778-P789 HydrophobicContact CE1-CB 3.9Å; Y778-P789 HydrophobicContact CE1-CG 4.41Å; Y778-R801 CarbonylContact O-C 3.54Å; Y778-R801 WeakPolarHBondContact O-CA 3.43Å; Y778-F802 PolarHBondContact N-O 3.25Å; Y778-F802 PolarHBondContact O-N 3.31Å; Y778-T804 VanDerWaalsContact CD2-C 3.43Å; Y778-K805 HydrophobicContact CD1-CB 3.86Å; Y778-K805 HydrophobicContact CD1-CG 4Å; Y778-K805 HydrophobicContact CD2-CB 4.4Å; Y778-K805 HydrophobicContact CE1-CB 3.7Å; Y778-K805 HydrophobicContact CE1-CD 4.29Å; Y778-K805 HydrophobicContact CE1-CG 3.96Å; Y778-K805 HydrophobicContact CE2-CB 4.26Å; Y778-K805 HydrophobicContact CG-CB 4.21Å
779	Y	91.6	Very high	82.8	Confident	35 Å²	35	48.7 Å²	48.7	14%	0.137	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.7	169.4	78	-76.5	0	0	0	109.5	R766 C787 L788 F790 N800	R766-Y779 HydrophobicContact CB-CD1 4.43Å; R766-Y779 HydrophobicContact CB-CD2 3.89Å; R766-Y779 HydrophobicContact CB-CE1 4.39Å; R766-Y779 HydrophobicContact CB-CE2 3.84Å; R766-Y779 HydrophobicContact CB-CG 4.19Å; R766-Y779 HydrophobicContact CG-CD1 3.88Å; R766-Y779 HydrophobicContact CG-CD2 4.23Å; R766-Y779 HydrophobicContact CG-CE1 3.94Å; R766-Y779 HydrophobicContact CG-CE2 4.28Å; R766-Y779 HydrophobicContact CG-CG 4.03Å; Y779-C787 CarbonylContact O-C 3.58Å; Y779-C787 WeakPolarHBondContact O-CA 3.29Å; Y779-L788 HydrophobicContact CD1-CB 4.28Å; Y779-L788 VanDerWaalsContact CD1-O 3.24Å; Y779-L788 WeakPolarHBondContact CD1-O 3.21Å; Y779-L788 HydrophobicContact CE1-CB 3.71Å; Y779-L788 PolarHBondContact N-O 3.18Å; Y779-L788 PolarHBondContact O-N 3.28Å; Y779-F790 HydrophobicContact CD1-CB 3.98Å; Y779-F790 AromaticContact CD1-CD1 3.67Å; Y779-F790 HydrophobicContact CD1-CD1 3.67Å; Y779-F790 HydrophobicContact CD1-CE1 4.38Å; Y779-F790 HydrophobicContact CD1-CG 4Å; Y779-F790 HydrophobicContact CE1-CB 4.17Å; Y779-F790 HydrophobicContact CG-CD1 4.28Å; Y779-N800 WeakPolarHBondContact CA-OD1 3.38Å; Y779-N800 VanDerWaalsContact CB-O 3.3Å; Y779-N800 WeakPolarHBondContact CB-O 3.24Å
780	Y	91.1	Very high	83.6	Confident	4 Å²	4	48 Å²	48	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122	175.2	175.5	-101.6	0	0	0	110.5	C762 A782 H785 N800 C808 C812 I813 V816 Q831	C762-Y780 HydrophobicContact CB-CD1 4.11Å; C762-Y780 WeakPolarHBondContact O-CD1 3.47Å; Y780-A782 HydrophobicContact CE1-CB 3.85Å; Y780-H785 PolarHBondContact OH-CE1 2.99Å; Y780-H785 PolarHBondContact OH-ND1 2.84Å; Y780-N800 PolarHBondContact N-OD1 3.04Å; Y780-N800 PolarHBondContact O-ND2 3.49Å; Y780-C808 PolarHBondContact N-SG 3.22Å; Y780-C812 VanDerWaalsContact CB-SG 3.53Å; Y780-C812 HydrophobicContact CD1-CB 4.05Å; Y780-C812 HydrophobicContact CD2-CB 3.51Å; Y780-C812 HydrophobicContact CE2-CB 4.16Å; Y780-C812 HydrophobicContact CG-CB 3.44Å; Y780-C812 VanDerWaalsContact CG-CB 3.44Å; Y780-I813 HydrophobicContact CE2-CG1 4.11Å; Y780-V816 HydrophobicContact CE1-CB 4.27Å; Y780-V816 HydrophobicContact CE1-CG1 4.32Å; Y780-V816 HydrophobicContact CE1-CG2 3.75Å; Y780-V816 WeakPolarHBondContact OH-CG1 3.42Å; Y780-Q831 PolarHBondContact O-NE2 2.88Å; Y780-Q831 PolarHBondContact O-OE1 2.76Å
781	S	86.7	Confident	84.4	Confident	10 Å²	10	49.4 Å²	49.4	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.6	171	175.7	0	0	0	0	110.3	V783 E784 H785 A786	S781-V783 VanDerWaalsContact C-N 3.29Å; S781-E784 PolarHBondContact OG-N 3.02Å; S781-H785 VanDerWaalsContact O-CA 3.24Å; S781-H785 WeakPolarHBondContact O-CA 3.33Å; S781-H785 PolarHBondContact O-N 3.18Å; S781-A786 PolarHBondContact N-O 3.01Å; S781-A786 PolarHBondContact O-N 2.79Å; S781-A786 VanDerWaalsContact O-N 3.1Å
782	A	81.4	Confident	84.8	Confident	2 Å²	2	44.6 Å²	44.6	2%	0.017	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18	174.7	0	0	0	0	0	113.2	Y780 I827 A828	Y780-A782 HydrophobicContact CE1-CB 3.85Å; A782-I827 HydrophobicContact CB-CG2 3.72Å; A782-A828 HydrophobicContact CB-CB 4Å
783	V	73.2	Confident	84.9	Confident	24 Å²	24	42.7 Å²	42.7	15%	0.145	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-38.3	174.6	-179	0	0	0	0	111.1	S781 A828 K922 A923 A926	S781-V783 VanDerWaalsContact C-N 3.29Å; V783-A828 HydrophobicContact CG2-CB 4.27Å; V783-K922 HydrophobicContact CG1-CB 4.4Å; V783-K922 HydrophobicContact CG1-CD 4.02Å; V783-K922 HydrophobicContact CG1-CG 4.04Å; V783-A923 HydrophobicContact CG2-CB 4.4Å; V783-A926 VanDerWaalsContact O-CB 3.26Å; V783-A926 WeakPolarHBondContact O-CB 3.4Å
784	E	79.5	Confident	84.9	Confident	70 Å²	70	41.7 Å²	41.7	33%	0.327	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.6	173.8	-55.4	-54.2	157.2	0	0	113	S781 A786 L788 K922	S781-E784 PolarHBondContact OG-N 3.02Å; E784-A786 VanDerWaalsContact C-N 3.29Å; E784-A786 HydrophobicContact CB-CB 4.11Å; E784-L788 HydrophobicContact CB-CD1 4.5Å; E784-L788 HydrophobicContact CG-CD1 3.93Å; E784-K922 WeakPolarHBondContact OE1-CE 3.43Å; E784-K922 IonicContact OE1-NZ 3.57Å; E784-K922 PolarHBondContact OE1-NZ 3.24Å; E784-K922 VanDerWaalsContact OE2-CE 3.22Å; E784-K922 WeakPolarHBondContact OE2-CE 3.43Å; E784-K922 IonicContact OE2-NZ 3.69Å; E784-K922 PolarHBondContact OE2-NZ 2.71Å
785	H	82.7	Confident	84.8	Confident	52 Å²	52	41.5 Å²	41.5	24%	0.241	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	45	-163.5	-86.7	-58.6	0	0	0	112.6	Y780 S781 A926	Y780-H785 PolarHBondContact OH-CE1 2.99Å; Y780-H785 PolarHBondContact OH-ND1 2.84Å; S781-H785 VanDerWaalsContact O-CA 3.24Å; S781-H785 WeakPolarHBondContact O-CA 3.33Å; S781-H785 PolarHBondContact O-N 3.18Å; H785-A926 VanDerWaalsContact CD2-C 3.48Å; H785-A926 PolarHBondContact CD2-O 3.08Å; H785-A926 VanDerWaalsContact CD2-O 3.24Å
786	A	86.8	Confident	84	Confident	27 Å²	27	42.2 Å²	42.2	22%	0.223	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.1	-175.2	0	0	0	0	0	112.3	S781 E784 L788	S781-A786 PolarHBondContact N-O 3.01Å; S781-A786 PolarHBondContact O-N 2.79Å; S781-A786 VanDerWaalsContact O-N 3.1Å; E784-A786 VanDerWaalsContact C-N 3.29Å; E784-A786 HydrophobicContact CB-CB 4.11Å; A786-L788 HydrophobicContact CB-CD2 4.16Å
787	C	92.1	Very high	83.4	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.5	169.8	-74.1	0	0	0	0	110.5	Y779 K805 C808 E809	Y779-C787 CarbonylContact O-C 3.58Å; Y779-C787 WeakPolarHBondContact O-CA 3.29Å; C787-K805 HydrophobicContact CB-CG 4.17Å; C787-C808 HydrophobicContact CB-CB 3.62Å; C787-C808 WeakPolarHBondContact CB-SG 3.45Å; C787-C808 WeakPolarHBondContact SG-CB 3.4Å; C787-C808 CovalentContact SG-SG 2.03Å; C787-C808 PolarHBondContact SG-SG 3.18Å; C787-E809 HydrophobicContact CB-CG 3.67Å; C787-E809 VanDerWaalsContact SG-CG 3.57Å; C787-E809 PolarHBondContact SG-N 2.87Å; C787-E809 VanDerWaalsContact SG-N 3.36Å
788	L	89.9	Confident	82.7	Confident	51 Å²	51	39.3 Å²	39.3	27%	0.267	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.4	-173	-57.6	178.8	0	0	0	110.6	Y778 Y779 E784 A786	Y778-L788 CarbonylContact C-O 3.58Å; Y778-L788 WeakPolarHBondContact CA-O 3.28Å; Y779-L788 HydrophobicContact CD1-CB 4.28Å; Y779-L788 VanDerWaalsContact CD1-O 3.24Å; Y779-L788 WeakPolarHBondContact CD1-O 3.21Å; Y779-L788 HydrophobicContact CE1-CB 3.71Å; Y779-L788 PolarHBondContact N-O 3.18Å; Y779-L788 PolarHBondContact O-N 3.28Å; E784-L788 HydrophobicContact CB-CD1 4.5Å; E784-L788 HydrophobicContact CG-CD1 3.93Å; A786-L788 HydrophobicContact CB-CD2 4.16Å
789	P	91.5	Very high	82.3	Confident	81 Å²	81	40.2 Å²	40.2	53%	0.526	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	148.6	174.8	30.7	-34.6	0	0	0	111.5	A777 Y778	A777-P789 CarbonylContact O-C 3.55Å; A777-P789 WeakPolarHBondContact O-CA 3.3Å; Y778-P789 HydrophobicContact CD1-CB 4.23Å; Y778-P789 HydrophobicContact CE1-CB 3.9Å; Y778-P789 HydrophobicContact CE1-CG 4.41Å
790	F	88.5	Confident	82.2	Confident	18 Å²	18	38.6 Å²	38.6	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.9	169.9	79.6	-68.3	0	0	0	112	R766 A777 Y779 R801	R766-F790 HydrophobicContact CG-CB 4.2Å; R766-F790 HydrophobicContact CG-CD2 3.7Å; R766-F790 HydrophobicContact CG-CE2 4.15Å; R766-F790 HydrophobicContact CG-CG 3.95Å; A777-F790 HydrophobicContact CB-CD1 4.21Å; A777-F790 HydrophobicContact CB-CE1 3.73Å; A777-F790 HydrophobicContact CB-CZ 4.29Å; A777-F790 PolarHBondContact N-O 2.87Å; A777-F790 VanDerWaalsContact O-CD1 3.32Å; A777-F790 WeakPolarHBondContact O-CD1 3.39Å; A777-F790 PolarHBondContact O-N 2.86Å; A777-F790 VanDerWaalsContact O-O 3.13Å; Y779-F790 HydrophobicContact CD1-CB 3.98Å; Y779-F790 AromaticContact CD1-CD1 3.67Å; Y779-F790 HydrophobicContact CD1-CD1 3.67Å; Y779-F790 HydrophobicContact CD1-CE1 4.38Å; Y779-F790 HydrophobicContact CD1-CG 4Å; Y779-F790 HydrophobicContact CE1-CB 4.17Å; Y779-F790 HydrophobicContact CG-CD1 4.28Å; F790-R801 HydrophobicContact CE1-CB 4.35Å; F790-R801 HydrophobicContact CE1-CG 4.08Å; F790-R801 HydrophobicContact CZ-CB 4.03Å; F790-R801 HydrophobicContact CZ-CG 3.81Å
791	K	86.3	Confident	82.1	Confident	118 Å²	118	42.3 Å²	42.3	51%	0.513	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	101.9	173.9	-173.7	-170.9	172.5	-158.4	0	108.7	E771 A774 L793	E771-K791 IonicContact OE1-NZ 3.58Å; E771-K791 PolarHBondContact OE1-NZ 2.85Å; A774-K791 HydrophobicContact CB-CD 4.47Å; A774-K791 HydrophobicContact CB-CG 4.36Å; K791-L793 HydrophobicContact CD-CD2 4.08Å; K791-L793 HydrophobicContact CG-CD2 4.31Å
792	Y	82.5	Confident	82.4	Confident	27 Å²	27	42.8 Å²	42.8	11%	0.106	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.3	168.1	177.5	-127.2	0	0	0	108.9	D768 A774 V775 G794 C795 K796 G797	D768-Y792 VanDerWaalsContact O-CD2 3.25Å; D768-Y792 WeakPolarHBondContact O-CD2 3.43Å; A774-Y792 CarbonylContact C-O 3.47Å; A774-Y792 VanDerWaalsContact CA-O 3.26Å; A774-Y792 WeakPolarHBondContact CA-O 3.14Å; V775-Y792 PolarHBondContact N-O 2.85Å; V775-Y792 PolarHBondContact O-N 2.81Å; Y792-G794 VanDerWaalsContact C-N 3.28Å; Y792-G794 VanDerWaalsContact CE1-CA 3.44Å; Y792-G794 WeakPolarHBondContact CE1-O 3.44Å; Y792-G794 PolarHBondContact O-N 2.98Å; Y792-G794 PolarHBondContact OH-O 2.94Å; Y792-C795 VanDerWaalsContact OH-C 3.23Å; Y792-C795 VanDerWaalsContact OH-CA 3.28Å; Y792-C795 WeakPolarHBondContact OH-CA 3.5Å; Y792-C795 PolarHBondContact OH-N 2.94Å; Y792-K796 PolarHBondContact OH-N 2.85Å; Y792-G797 PolarHBondContact OH-N 3.09Å
793	L	79	Confident	82.7	Confident	38 Å²	38	47.7 Å²	47.7	20%	0.199	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-11.7	-174	-59.3	179.4	0	0	0	113.1	D768 I770 E771 C772 G773 K791	D768-L793 HydrophobicContact CB-CD1 4.26Å; D768-L793 HydrophobicContact CB-CG 4.29Å; D768-L793 WeakPolarHBondContact O-CB 3.43Å; D768-L793 WeakPolarHBondContact O-CG 3.49Å; D768-L793 PolarHBondContact O-N 2.8Å; I770-L793 CarbonylContact O-C 3.38Å; E771-L793 WeakPolarHBondContact CA-O 3.31Å; E771-L793 HydrophobicContact CB-CB 4.28Å; C772-L793 PolarHBondContact N-O 3.24Å; G773-L793 CarbonylContact C-O 3.57Å; G773-L793 PolarHBondContact N-O 2.97Å; K791-L793 HydrophobicContact CD-CD2 4.08Å; K791-L793 HydrophobicContact CG-CD2 4.31Å
794	G	71.8	Confident	83.6	Confident	20 Å²	20	49.4 Å²	49.4	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.6	-33.1	168.3	0	0	0	0	0	114.4	G773 Y792	G773-G794 WeakPolarHBondContact O-CA 3.08Å; Y792-G794 VanDerWaalsContact C-N 3.28Å; Y792-G794 VanDerWaalsContact CE1-CA 3.44Å; Y792-G794 WeakPolarHBondContact CE1-O 3.44Å; Y792-G794 PolarHBondContact O-N 2.98Å; Y792-G794 PolarHBondContact OH-O 2.94Å
795	C	73.4	Confident	84.2	Confident	49 Å²	49	49.6 Å²	49.6	33%	0.331	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.8	-175.1	-75.7	0	0	0	0	113	G769 I770 C772 Y792 G797	G769-C795 CarbonylContact C-O 3.54Å; G769-C795 WeakPolarHBondContact CA-O 3.39Å; I770-C795 HydrophobicContact CB-CB 4.48Å; I770-C795 PolarHBondContact N-O 2.9Å; I770-C795 PolarHBondContact O-N 3.18Å; I770-C795 VanDerWaalsContact O-N 3.1Å; C772-C795 HydrophobicContact CB-CB 3.98Å; C772-C795 WeakPolarHBondContact CB-SG 3.38Å; C772-C795 WeakPolarHBondContact SG-CB 3.34Å; C772-C795 PolarHBondContact SG-N 2.83Å; C772-C795 CovalentContact SG-SG 2.04Å; C772-C795 PolarHBondContact SG-SG 3.4Å; Y792-C795 VanDerWaalsContact OH-C 3.23Å; Y792-C795 VanDerWaalsContact OH-CA 3.28Å; Y792-C795 WeakPolarHBondContact OH-CA 3.5Å; Y792-C795 PolarHBondContact OH-N 2.94Å; C795-G797 VanDerWaalsContact C-N 3.28Å; C795-G797 PolarHBondContact O-N 2.03Å
796	K	68.4	Low	84.7	Confident	102 Å²	102	52.9 Å²	52.9	44%	0.443	29%	0.285	S	S	.	.	S	Bend	trans	57.7	21.6	172.1	-49	-168.9	-169.6	178.8	0	117.3	L613 P701 I770 Y792	L613-K796 HydrophobicContact CD1-CD 4.38Å; L613-K796 HydrophobicContact CD2-CD 4.32Å; P701-K796 HydrophobicContact CG-CG 4.49Å; I770-K796 HydrophobicContact CD1-CD 3.65Å; I770-K796 HydrophobicContact CD1-CG 4.42Å; I770-K796 HydrophobicContact CG1-CD 4.3Å; Y792-K796 PolarHBondContact OH-N 2.85Å
797	G	72.4	Confident	84.9	Confident	21 Å²	21	53.1 Å²	53.1	22%	0.216	29%	0.287	C	S	.	.			trans	-73.9	-179.9	173	0	0	0	0	0	113.4	K767 Y792 C795	K767-G797 WeakPolarHBondContact O-CA 3.21Å; Y792-G797 PolarHBondContact OH-N 3.09Å; C795-G797 VanDerWaalsContact C-N 3.28Å; C795-G797 PolarHBondContact O-N 2.03Å
798	G	76.1	Confident	85	Confident	7 Å²	7	53 Å²	53	7%	0.072	29%	0.286	C	S	.	.			trans	-79.5	-178.1	176.8	0	0	0	0	0	114.5	E764 R801	E764-G798 WeakPolarHBondContact OE1-CA 3.19Å; E764-G798 WeakPolarHBondContact OE2-CA 3.31Å; G798-R801 PolarHBondContact O-NH1 3.12Å; G798-R801 PolarHBondContact O-NH2 2.94Å
799	L	83.6	Confident	85.2	Confident	84 Å²	84	53.1 Å²	53.1	44%	0.44	29%	0.286	S	S	.	.	S	Bend	trans	-84	-22.8	167.8	-65.5	177.9	0	0	0	112.4	D755 I761 E764 R801	D755-L799 WeakPolarHBondContact O-CD1 3.03Å; I761-L799 HydrophobicContact CG1-CB 4.24Å; I761-L799 HydrophobicContact CG1-CD1 4.34Å; I761-L799 HydrophobicContact CG2-CB 4.21Å; I761-L799 WeakPolarHBondContact CG2-O 3.18Å; E764-L799 PolarHBondContact OE2-N 2.93Å; L799-R801 PolarHBondContact O-N 2.93Å
800	N	88.7	Confident	85.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.011	29%	0.29	C	S	.	.			trans	-70.9	64.4	168.4	-167.1	1.7	0	0	0	111.2	I761 E764 Y779 Y780 F802	I761-N800 WeakPolarHBondContact O-CB 3.35Å; E764-N800 HydrophobicContact CB-CB 4.11Å; E764-N800 PolarHBondContact O-ND2 2.89Å; E764-N800 PolarHBondContact OE2-N 3.25Å; Y779-N800 WeakPolarHBondContact CA-OD1 3.38Å; Y779-N800 VanDerWaalsContact CB-O 3.3Å; Y779-N800 WeakPolarHBondContact CB-O 3.24Å; Y780-N800 PolarHBondContact N-OD1 3.04Å; Y780-N800 PolarHBondContact O-ND2 3.49Å; N800-F802 WeakPolarHBondContact OD1-CE2 3.07Å
801	R	90	Very high	85.4	Confident	81 Å²	81	55.4 Å²	55.4	31%	0.306	30%	0.301	S	S	.	.			trans	-149.8	111	-178.1	-179.4	-178.2	62.1	-99.6	-10.9	109.3	A777 Y778 F790 G798 L799	A777-R801 HydrophobicContact CB-CG 3.64Å; Y778-R801 CarbonylContact O-C 3.54Å; Y778-R801 WeakPolarHBondContact O-CA 3.43Å; F790-R801 HydrophobicContact CE1-CB 4.35Å; F790-R801 HydrophobicContact CE1-CG 4.08Å; F790-R801 HydrophobicContact CZ-CB 4.03Å; F790-R801 HydrophobicContact CZ-CG 3.81Å; G798-R801 PolarHBondContact O-NH1 3.12Å; G798-R801 PolarHBondContact O-NH2 2.94Å; L799-R801 PolarHBondContact O-N 2.93Å
802	F	91.9	Very high	85.7	Confident	20 Å²	20	49.8 Å²	49.8	9%	0.088	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-115.8	144.7	-177.2	-56.4	-81.6	0	0	0	111	I761 A777 Y778 N800 T804 A807 C808 L811 C812	I761-F802 HydrophobicContact CG2-CZ 3.91Å; A777-F802 CarbonylContact C-O 3.52Å; A777-F802 WeakPolarHBondContact CA-O 3.3Å; A777-F802 WeakPolarHBondContact CB-O 3.01Å; Y778-F802 PolarHBondContact N-O 3.25Å; Y778-F802 PolarHBondContact O-N 3.31Å; N800-F802 WeakPolarHBondContact OD1-CE2 3.07Å; F802-T804 VanDerWaalsContact C-N 3.34Å; F802-A807 HydrophobicContact CB-CB 4.34Å; F802-C808 HydrophobicContact CB-CB 3.76Å; F802-C808 HydrophobicContact CD1-CB 4.4Å; F802-C808 HydrophobicContact CD2-CB 3.32Å; F802-C808 VanDerWaalsContact CD2-SG 3.53Å; F802-C808 HydrophobicContact CE2-CB 3.99Å; F802-C808 HydrophobicContact CG-CB 3.55Å; F802-L811 HydrophobicContact CE1-CB 4.29Å; F802-L811 HydrophobicContact CE1-CD2 3.6Å; F802-L811 HydrophobicContact CZ-CD2 3.88Å; F802-C812 VanDerWaalsContact CZ-SG 3.57Å
803	P	88.2	Confident	86	Confident	106 Å²	106	50.8 Å²	50.8	69%	0.688	28%	0.283	S	S	*	.	S	Bend	trans	-71.1	-29.3	179.4	28.8	-34.7	0	0	0	112.7
804	T	92.8	Very high	86.5	Confident	59 Å²	59	52.7 Å²	52.7	36%	0.362	30%	0.298	S	S	.	.	S	Bend	trans	-132	163.4	178.9	78.2	0	0	0	0	111.4	Y778 F802 E806 A807 C808	Y778-T804 VanDerWaalsContact CD2-C 3.43Å; F802-T804 VanDerWaalsContact C-N 3.34Å; T804-E806 VanDerWaalsContact C-N 3.33Å; T804-E806 VanDerWaalsContact CB-OE2 3.22Å; T804-E806 WeakPolarHBondContact CB-OE2 3.1Å; T804-E806 PolarHBondContact OG1-OE2 3.17Å; T804-E806 VanDerWaalsContact OG1-OE2 3.11Å; T804-A807 PolarHBondContact OG1-N 2.66Å; T804-C808 PolarHBondContact O-N 2.87Å
805	K	92.2	Very high	87.3	Confident	74 Å²	74	52.8 Å²	52.8	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-41.2	177.9	-168.5	-178.6	175.8	-98.8	0	110.7	Y778 C787 A807 C808 E809	Y778-K805 HydrophobicContact CD1-CB 3.86Å; Y778-K805 HydrophobicContact CD1-CG 4Å; Y778-K805 HydrophobicContact CD2-CB 4.4Å; Y778-K805 HydrophobicContact CE1-CB 3.7Å; Y778-K805 HydrophobicContact CE1-CD 4.29Å; Y778-K805 HydrophobicContact CE1-CG 3.96Å; Y778-K805 HydrophobicContact CE2-CB 4.26Å; Y778-K805 HydrophobicContact CG-CB 4.21Å; C787-K805 HydrophobicContact CB-CG 4.17Å; K805-A807 PolarHBondContact O-N 3.2Å; K805-C808 WeakPolarHBondContact O-CB 3.33Å; K805-C808 PolarHBondContact O-N 3.2Å; K805-C808 VanDerWaalsContact O-N 3.17Å; K805-E809 VanDerWaalsContact CE-OE1 3.24Å; K805-E809 WeakPolarHBondContact CE-OE1 3.36Å; K805-E809 HydrophobicContact CG-CG 4.31Å; K805-E809 IonicContact NZ-OE1 2.65Å; K805-E809 PolarHBondContact NZ-OE1 2.7Å; K805-E809 IonicContact NZ-OE2 2.81Å; K805-E809 PolarHBondContact NZ-OE2 2.97Å; K805-E809 WeakPolarHBondContact O-CG 3.13Å; K805-E809 PolarHBondContact O-N 3.5Å
806	E	92.6	Very high	87.9	Confident	122 Å²	122	50.5 Å²	50.5	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-65.7	-38.3	-177	-57	69.2	-149.4	0	0	111.4	T804 E809 S810	T804-E806 VanDerWaalsContact C-N 3.33Å; T804-E806 VanDerWaalsContact CB-OE2 3.22Å; T804-E806 WeakPolarHBondContact CB-OE2 3.1Å; T804-E806 PolarHBondContact OG1-OE2 3.17Å; T804-E806 VanDerWaalsContact OG1-OE2 3.11Å; E806-E809 PolarHBondContact O-N 2.84Å; E806-S810 VanDerWaalsContact O-CB 3.23Å; E806-S810 WeakPolarHBondContact O-CB 3.49Å; E806-S810 PolarHBondContact O-N 3.43Å; E806-S810 PolarHBondContact O-OG 2.91Å
807	A	92.2	Very high	88.6	Confident	32 Å²	32	50 Å²	50	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-41.3	173.8	0	0	0	0	0	111.7	F802 T804 K805 S810 L811	F802-A807 HydrophobicContact CB-CB 4.34Å; T804-A807 PolarHBondContact OG1-N 2.66Å; K805-A807 PolarHBondContact O-N 3.2Å; A807-S810 PolarHBondContact O-OG 2.83Å; A807-L811 PolarHBondContact O-N 3.28Å
808	C	94.3	Very high	89.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-47.7	174.2	178.4	0	0	0	0	112	Y780 C787 F802 T804 K805 L811 C812	Y780-C808 PolarHBondContact N-SG 3.22Å; C787-C808 HydrophobicContact CB-CB 3.62Å; C787-C808 WeakPolarHBondContact CB-SG 3.45Å; C787-C808 WeakPolarHBondContact SG-CB 3.4Å; C787-C808 CovalentContact SG-SG 2.03Å; C787-C808 PolarHBondContact SG-SG 3.18Å; F802-C808 HydrophobicContact CB-CB 3.76Å; F802-C808 HydrophobicContact CD1-CB 4.4Å; F802-C808 HydrophobicContact CD2-CB 3.32Å; F802-C808 VanDerWaalsContact CD2-SG 3.53Å; F802-C808 HydrophobicContact CE2-CB 3.99Å; F802-C808 HydrophobicContact CG-CB 3.55Å; T804-C808 PolarHBondContact O-N 2.87Å; K805-C808 WeakPolarHBondContact O-CB 3.33Å; K805-C808 PolarHBondContact O-N 3.2Å; K805-C808 VanDerWaalsContact O-N 3.17Å; C808-L811 PolarHBondContact O-N 2.9Å; C808-C812 VanDerWaalsContact O-CB 3.3Å; C808-C812 WeakPolarHBondContact O-CB 3.27Å; C808-C812 PolarHBondContact O-N 3.07Å
809	E	93.2	Very high	89.3	Confident	55 Å²	55	53.8 Å²	53.8	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-41.4	-175.3	-70.9	-174.2	143.7	0	0	111.6	C787 K805 E806 L811 I813 P814	C787-E809 HydrophobicContact CB-CG 3.67Å; C787-E809 VanDerWaalsContact SG-CG 3.57Å; C787-E809 PolarHBondContact SG-N 2.87Å; C787-E809 VanDerWaalsContact SG-N 3.36Å; K805-E809 VanDerWaalsContact CE-OE1 3.24Å; K805-E809 WeakPolarHBondContact CE-OE1 3.36Å; K805-E809 HydrophobicContact CG-CG 4.31Å; K805-E809 IonicContact NZ-OE1 2.65Å; K805-E809 PolarHBondContact NZ-OE1 2.7Å; K805-E809 IonicContact NZ-OE2 2.81Å; K805-E809 PolarHBondContact NZ-OE2 2.97Å; K805-E809 WeakPolarHBondContact O-CG 3.13Å; K805-E809 PolarHBondContact O-N 3.5Å; E806-E809 PolarHBondContact O-N 2.84Å; E809-L811 PolarHBondContact O-N 3.39Å; E809-I813 HydrophobicContact CB-CD1 3.89Å; E809-I813 HydrophobicContact CG-CD1 3.8Å; E809-I813 WeakPolarHBondContact O-CB 3.37Å; E809-I813 PolarHBondContact O-N 3.24Å; E809-P814 VanDerWaalsContact O-CD 3.28Å; E809-P814 WeakPolarHBondContact O-CD 3.3Å
810	S	91.9	Very high	88.9	Confident	87 Å²	87	53 Å²	53	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-64.9	-34.6	177.9	57.3	0	0	0	0	113.8	E806 A807 P814	E806-S810 VanDerWaalsContact O-CB 3.23Å; E806-S810 WeakPolarHBondContact O-CB 3.49Å; E806-S810 PolarHBondContact O-N 3.43Å; E806-S810 PolarHBondContact O-OG 2.91Å; A807-S810 PolarHBondContact O-OG 2.83Å; S810-P814 WeakPolarHBondContact O-CD 3.39Å; S810-P814 WeakPolarHBondContact O-CG 3.49Å
811	L	91.8	Very high	87.8	Confident	59 Å²	59	57.1 Å²	57.1	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-81.8	-51.7	176.5	-165.1	73.1	0	0	0	111.9	P758 I761 F802 A807 C808 E809 A815	P758-L811 HydrophobicContact CB-CD1 4.02Å; P758-L811 HydrophobicContact CB-CG 4.07Å; P758-L811 HydrophobicContact CG-CD1 3.92Å; P758-L811 HydrophobicContact CG-CG 4.49Å; I761-L811 HydrophobicContact CD1-CD2 4.28Å; I761-L811 HydrophobicContact CG2-CD2 4.27Å; F802-L811 HydrophobicContact CE1-CB 4.29Å; F802-L811 HydrophobicContact CE1-CD2 3.6Å; F802-L811 HydrophobicContact CZ-CD2 3.88Å; A807-L811 PolarHBondContact O-N 3.28Å; C808-L811 PolarHBondContact O-N 2.9Å; E809-L811 PolarHBondContact O-N 3.39Å; L811-A815 VanDerWaalsContact O-CB 3.22Å; L811-A815 WeakPolarHBondContact O-CB 3.34Å
812	C	93.1	Very high	86.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-87.5	-36.5	-164	-67	0	0	0	0	115.3	C762 Y780 F802 C808 V816	C762-C812 HydrophobicContact CB-CB 3.63Å; C762-C812 WeakPolarHBondContact CB-SG 3.36Å; C762-C812 WeakPolarHBondContact SG-CA 3.42Å; C762-C812 WeakPolarHBondContact SG-CB 3.49Å; C762-C812 CovalentContact SG-SG 2.02Å; C762-C812 PolarHBondContact SG-SG 3.23Å; Y780-C812 VanDerWaalsContact CB-SG 3.53Å; Y780-C812 HydrophobicContact CD1-CB 4.05Å; Y780-C812 HydrophobicContact CD2-CB 3.51Å; Y780-C812 HydrophobicContact CE2-CB 4.16Å; Y780-C812 HydrophobicContact CG-CB 3.44Å; Y780-C812 VanDerWaalsContact CG-CB 3.44Å; F802-C812 VanDerWaalsContact CZ-SG 3.57Å; C808-C812 VanDerWaalsContact O-CB 3.3Å; C808-C812 WeakPolarHBondContact O-CB 3.27Å; C808-C812 PolarHBondContact O-N 3.07Å; C812-V816 WeakPolarHBondContact O-CB 3.49Å; C812-V816 WeakPolarHBondContact O-CG2 3.36Å; C812-V816 PolarHBondContact O-N 3.46Å
813	I	89.1	Confident	85.8	Confident	49 Å²	49	64.3 Å²	64.3	25%	0.251	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-51.4	-177.9	-63	176.5	0	0	0	110.3	Y780 E809 A815 V816 E817	Y780-I813 HydrophobicContact CE2-CG1 4.11Å; E809-I813 HydrophobicContact CB-CD1 3.89Å; E809-I813 HydrophobicContact CG-CD1 3.8Å; E809-I813 WeakPolarHBondContact O-CB 3.37Å; E809-I813 PolarHBondContact O-N 3.24Å; I813-A815 PolarHBondContact O-N 3.35Å; I813-V816 PolarHBondContact O-N 2.82Å; I813-E817 HydrophobicContact CG2-CG 4.29Å; I813-E817 VanDerWaalsContact O-CB 3.28Å; I813-E817 WeakPolarHBondContact O-CB 3.47Å; I813-E817 WeakPolarHBondContact O-CG 3.43Å; I813-E817 PolarHBondContact O-N 2.67Å
814	P	89.8	Confident	85.2	Confident	78 Å²	78	60.3 Å²	60.3	51%	0.506	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-42.9	177	-23.3	35.2	0	0	0	112.8	E809 S810 V816 E817 A818	E809-P814 VanDerWaalsContact O-CD 3.28Å; E809-P814 WeakPolarHBondContact O-CD 3.3Å; S810-P814 WeakPolarHBondContact O-CD 3.39Å; S810-P814 WeakPolarHBondContact O-CG 3.49Å; P814-V816 PolarHBondContact O-N 3.24Å; P814-E817 PolarHBondContact O-N 2.85Å; P814-A818 WeakPolarHBondContact O-CB 3.29Å; P814-A818 PolarHBondContact O-N 3.4Å
815	A	87.2	Confident	83.9	Confident	22 Å²	22	60 Å²	60	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-45.3	-179.2	0	0	0	0	0	112.1	P758 L811 I813 L819	P758-A815 HydrophobicContact CB-CB 3.8Å; L811-A815 VanDerWaalsContact O-CB 3.22Å; L811-A815 WeakPolarHBondContact O-CB 3.34Å; I813-A815 PolarHBondContact O-N 3.35Å; A815-L819 WeakPolarHBondContact O-CG 3.44Å
816	V	85.7	Confident	83	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-79.9	-28.8	-178.5	178.6	0	0	0	0	112.3	C762 Y780 C812 I813 P814 A818 L819 R824 I827	C762-V816 HydrophobicContact CB-CG2 4.11Å; Y780-V816 HydrophobicContact CE1-CB 4.27Å; Y780-V816 HydrophobicContact CE1-CG1 4.32Å; Y780-V816 HydrophobicContact CE1-CG2 3.75Å; Y780-V816 WeakPolarHBondContact OH-CG1 3.42Å; C812-V816 WeakPolarHBondContact O-CB 3.49Å; C812-V816 WeakPolarHBondContact O-CG2 3.36Å; C812-V816 PolarHBondContact O-N 3.46Å; I813-V816 PolarHBondContact O-N 2.82Å; P814-V816 PolarHBondContact O-N 3.24Å; V816-A818 VanDerWaalsContact C-N 3.34Å; V816-L819 PolarHBondContact O-N 2.76Å; V816-R824 HydrophobicContact CG1-CG 3.86Å; V816-R824 WeakPolarHBondContact O-CG 3.25Å; V816-R824 PolarHBondContact O-NH1 2.82Å; V816-R824 VanDerWaalsContact O-NH1 3.15Å; V816-I827 HydrophobicContact CG2-CD1 4.46Å
817	E	84.1	Confident	82.3	Confident	92 Å²	92	55.4 Å²	55.4	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-69	-28.5	171.9	-80.5	-158.5	-177.6	0	0	113.9	I813 P814 L819 R824 K930	I813-E817 HydrophobicContact CG2-CG 4.29Å; I813-E817 VanDerWaalsContact O-CB 3.28Å; I813-E817 WeakPolarHBondContact O-CB 3.47Å; I813-E817 WeakPolarHBondContact O-CG 3.43Å; I813-E817 PolarHBondContact O-N 2.67Å; P814-E817 PolarHBondContact O-N 2.85Å; E817-L819 VanDerWaalsContact C-N 3.27Å; E817-L819 PolarHBondContact O-N 2.9Å; E817-R824 VanDerWaalsContact C-NH1 3.34Å; E817-R824 PolarHBondContact O-NH1 2.82Å; E817-K930 WeakPolarHBondContact OE2-CE 3.22Å; E817-K930 IonicContact OE2-NZ 2.63Å; E817-K930 PolarHBondContact OE2-NZ 2.76Å
818	A	84.1	Confident	81.5	Confident	86 Å²	86	54 Å²	54	71%	0.711	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17	175.3	0	0	0	0	0	113.6	P814 V816	P814-A818 WeakPolarHBondContact O-CB 3.29Å; P814-A818 PolarHBondContact O-N 3.4Å; V816-A818 VanDerWaalsContact C-N 3.34Å
819	L	79.7	Confident	80.2	Confident	21 Å²	21	57 Å²	57	11%	0.11	30%	0.299	C	S	.	.	S	Bend	trans	-79.6	154.3	-178.5	-53.9	177.9	0	0	0	112.4	A759 A815 V816 E817 R823 R824 I827	A759-L819 HydrophobicContact CB-CD1 4.34Å; A759-L819 HydrophobicContact CB-CD2 4.45Å; A815-L819 WeakPolarHBondContact O-CG 3.44Å; V816-L819 PolarHBondContact O-N 2.76Å; E817-L819 VanDerWaalsContact C-N 3.27Å; E817-L819 PolarHBondContact O-N 2.9Å; L819-R823 HydrophobicContact CB-CB 4.2Å; L819-R823 HydrophobicContact CB-CG 4.39Å; L819-R823 HydrophobicContact CD1-CG 4.06Å; L819-R824 VanDerWaalsContact O-CZ 3.31Å; L819-R824 PolarHBondContact O-NH1 3.49Å; L819-I827 HydrophobicContact CD1-CD1 3.42Å; L819-I827 VanDerWaalsContact CD1-CD1 3.42Å
820	P	75.5	Confident	79.1	Confident	69 Å²	69	57.3 Å²	57.3	45%	0.448	30%	0.303	S	S	.	.			trans	-61.1	153.9	170.1	-23.9	34.7	0	0	0	113	W822 R823 R824	P820-W822 VanDerWaalsContact C-N 3.3Å; P820-W822 HydrophobicContact CB-CG 4.42Å; P820-W822 PolarHBondContact O-N 2.91Å; P820-R823 PolarHBondContact O-N 2.95Å; P820-R824 PolarHBondContact O-N 3.06Å; P820-R824 VanDerWaalsContact O-N 3.11Å
821	N	65.5	Low	78.3	Confident	88 Å²	88	53.5 Å²	53.5	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-48.8	-46.6	179.8	-76.2	-2.3	0	0	0	113.3	R823 R824 E825	N821-R823 VanDerWaalsContact C-N 3.26Å; N821-R823 PolarHBondContact O-N 3.36Å; N821-R824 WeakPolarHBondContact O-CB 3.3Å; N821-R824 PolarHBondContact O-N 2.86Å; N821-R824 PolarHBondContact OD1-NH2 2.81Å; N821-E825 PolarHBondContact O-N 2.81Å
822	W	66.3	Low	77.1	Confident	154 Å²	154	53.1 Å²	53.1	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-33.2	-180	70.8	-101.3	0	0	0	112.7	P820 R826	P820-W822 VanDerWaalsContact C-N 3.3Å; P820-W822 HydrophobicContact CB-CG 4.42Å; P820-W822 PolarHBondContact O-N 2.91Å; W822-R826 WeakPolarHBondContact O-CB 3.48Å; W822-R826 PolarHBondContact O-N 3.22Å
823	R	72.1	Confident	75.6	Confident	97 Å²	97	59.1 Å²	59.1	37%	0.366	30%	0.298	S	S	.	.	H	α-helix	trans	-78.7	-31.5	179.3	-166.6	172.5	172.7	-176.6	-2.8	110.9	L819 P820 N821 I827	L819-R823 HydrophobicContact CB-CB 4.2Å; L819-R823 HydrophobicContact CB-CG 4.39Å; L819-R823 HydrophobicContact CD1-CG 4.06Å; P820-R823 PolarHBondContact O-N 2.95Å; N821-R823 VanDerWaalsContact C-N 3.26Å; N821-R823 PolarHBondContact O-N 3.36Å; R823-I827 VanDerWaalsContact O-CG1 3.27Å; R823-I827 WeakPolarHBondContact O-CG1 3.46Å; R823-I827 PolarHBondContact O-N 2.72Å
824	R	75.4	Confident	74.4	Confident	23 Å²	23	59 Å²	59	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-50.6	166.8	-75.2	-166	-85.7	-87.5	0.8	112.2	V816 E817 L819 P820 N821 R826 I827 A828	V816-R824 HydrophobicContact CG1-CG 3.86Å; V816-R824 WeakPolarHBondContact O-CG 3.25Å; V816-R824 PolarHBondContact O-NH1 2.82Å; V816-R824 VanDerWaalsContact O-NH1 3.15Å; E817-R824 VanDerWaalsContact C-NH1 3.34Å; E817-R824 PolarHBondContact O-NH1 2.82Å; L819-R824 VanDerWaalsContact O-CZ 3.31Å; L819-R824 PolarHBondContact O-NH1 3.49Å; P820-R824 PolarHBondContact O-N 3.06Å; P820-R824 VanDerWaalsContact O-N 3.11Å; N821-R824 WeakPolarHBondContact O-CB 3.3Å; N821-R824 PolarHBondContact O-N 2.86Å; N821-R824 PolarHBondContact OD1-NH2 2.81Å; R824-R826 VanDerWaalsContact C-N 3.32Å; R824-R826 PolarHBondContact O-N 3.34Å; R824-I827 PolarHBondContact O-N 2.93Å; R824-A828 PolarHBondContact O-N 2.74Å
825	E	67.1	Low	72.9	Confident	52 Å²	52	56.9 Å²	56.9	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-45.2	177	-173.9	178.6	-177	0	0	110.8	N821 I827 A828 L829 R924	N821-E825 PolarHBondContact O-N 2.81Å; E825-I827 PolarHBondContact O-N 3.26Å; E825-A828 PolarHBondContact O-N 2.71Å; E825-L829 HydrophobicContact CG-CD1 4.15Å; E825-L829 WeakPolarHBondContact O-CG 3.48Å; E825-L829 PolarHBondContact O-N 3.47Å; E825-R924 HydrophobicContact CG-CG 4.36Å; E825-R924 WeakPolarHBondContact OE1-CG 3.46Å; E825-R924 IonicContact OE1-CZ 2.81Å; E825-R924 IonicContact OE1-NE 2.75Å; E825-R924 PolarHBondContact OE1-NE 3.4Å; E825-R924 IonicContact OE1-NH2 3.57Å
826	R	73.5	Confident	71.2	Confident	93 Å²	93	60 Å²	60	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-42.3	175.1	-177.1	174.4	175.6	173.3	-2.2	113	W822 R824 L829 L830	W822-R826 WeakPolarHBondContact O-CB 3.48Å; W822-R826 PolarHBondContact O-N 3.22Å; R824-R826 VanDerWaalsContact C-N 3.32Å; R824-R826 PolarHBondContact O-N 3.34Å; R826-L829 PolarHBondContact O-N 2.87Å; R826-L830 HydrophobicContact CG-CD1 3.91Å; R826-L830 HydrophobicContact CG-CG 4.33Å; R826-L830 WeakPolarHBondContact O-CB 3.44Å; R826-L830 VanDerWaalsContact O-CG 3.29Å; R826-L830 WeakPolarHBondContact O-CG 3.48Å; R826-L830 PolarHBondContact O-N 2.8Å
827	I	77.8	Confident	69.4	Low	7 Å²	7	66.9 Å²	66.9	4%	0.036	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-45.5	177	-72.7	166.3	0	0	0	110.6	A782 V816 L819 R823 R824 E825 L829 L830 Q831	A782-I827 HydrophobicContact CB-CG2 3.72Å; V816-I827 HydrophobicContact CG2-CD1 4.46Å; L819-I827 HydrophobicContact CD1-CD1 3.42Å; L819-I827 VanDerWaalsContact CD1-CD1 3.42Å; R823-I827 VanDerWaalsContact O-CG1 3.27Å; R823-I827 WeakPolarHBondContact O-CG1 3.46Å; R823-I827 PolarHBondContact O-N 2.72Å; R824-I827 PolarHBondContact O-N 2.93Å; E825-I827 PolarHBondContact O-N 3.26Å; I827-L829 VanDerWaalsContact C-N 3.33Å; I827-L829 PolarHBondContact O-N 3.01Å; I827-L830 PolarHBondContact O-N 2.87Å; I827-Q831 HydrophobicContact CG2-CG 4.28Å; I827-Q831 WeakPolarHBondContact O-CB 3.46Å; I827-Q831 WeakPolarHBondContact O-CG 3.42Å; I827-Q831 PolarHBondContact O-N 2.87Å
828	A	73.5	Confident	67.7	Low	1 Å²	1	63.6 Å²	63.6	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-39.7	178	0	0	0	0	0	112.4	A782 V783 R824 E825 Y832 A923	A782-A828 HydrophobicContact CB-CB 4Å; V783-A828 HydrophobicContact CG2-CB 4.27Å; R824-A828 PolarHBondContact O-N 2.74Å; E825-A828 PolarHBondContact O-N 2.71Å; A828-Y832 VanDerWaalsContact O-CB 3.31Å; A828-Y832 WeakPolarHBondContact O-CB 3.26Å; A828-Y832 PolarHBondContact O-N 3.28Å; A828-A923 HydrophobicContact CB-CB 3.72Å
829	L	67.2	Low	65.8	Low	63 Å²	63	60.9 Å²	60.9	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-40.2	174.3	-68.1	170.4	0	0	0	113	E825 R826 I827 Y832 Q833 I920	E825-L829 HydrophobicContact CG-CD1 4.15Å; E825-L829 WeakPolarHBondContact O-CG 3.48Å; E825-L829 PolarHBondContact O-N 3.47Å; R826-L829 PolarHBondContact O-N 2.87Å; I827-L829 VanDerWaalsContact C-N 3.33Å; I827-L829 PolarHBondContact O-N 3.01Å; L829-Y832 PolarHBondContact O-N 2.8Å; L829-Q833 PolarHBondContact O-N 2.76Å; L829-I920 HydrophobicContact CD2-CG1 3.82Å; L829-I920 HydrophobicContact CD2-CG2 4.33Å
830	L	70.5	Confident	63.9	Low	62 Å²	62	65.9 Å²	65.9	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-70.5	-43.2	178	-74.3	170.9	0	0	0	112.5	R826 I827 Y832 Q833 T834	R826-L830 HydrophobicContact CG-CD1 3.91Å; R826-L830 HydrophobicContact CG-CG 4.33Å; R826-L830 WeakPolarHBondContact O-CB 3.44Å; R826-L830 VanDerWaalsContact O-CG 3.29Å; R826-L830 WeakPolarHBondContact O-CG 3.48Å; R826-L830 PolarHBondContact O-N 2.8Å; I827-L830 PolarHBondContact O-N 2.87Å; L830-Y832 VanDerWaalsContact C-N 3.29Å; L830-Y832 PolarHBondContact O-N 3.25Å; L830-Q833 PolarHBondContact O-N 3.08Å; L830-T834 PolarHBondContact O-N 2.8Å; L830-T834 PolarHBondContact O-OG1 3.45Å
831	Q	76.4	Confident	62.1	Low	7 Å²	7	65.5 Å²	65.5	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-40.8	173.1	-76.7	-161.9	-11.7	0	0	111.3	C762 S763 E764 Y780 I827 T834 A835	C762-Q831 PolarHBondContact O-NE2 3.31Å; S763-Q831 WeakPolarHBondContact O-CG 3.11Å; E764-Q831 PolarHBondContact O-NE2 2.86Å; Y780-Q831 PolarHBondContact O-NE2 2.88Å; Y780-Q831 PolarHBondContact O-OE1 2.76Å; I827-Q831 HydrophobicContact CG2-CG 4.28Å; I827-Q831 WeakPolarHBondContact O-CB 3.46Å; I827-Q831 WeakPolarHBondContact O-CG 3.42Å; I827-Q831 PolarHBondContact O-N 2.87Å; Q831-T834 WeakPolarHBondContact CA-OG1 3.42Å; Q831-T834 PolarHBondContact O-N 2.83Å; Q831-T834 PolarHBondContact O-OG1 3.47Å; Q831-A835 VanDerWaalsContact O-CB 3.23Å; Q831-A835 WeakPolarHBondContact O-CB 3.32Å; Q831-A835 PolarHBondContact O-N 3.25Å
832	Y	66	Low	61	Low	51 Å²	51	67 Å²	67	20%	0.2	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-49.7	175	174	-114.9	0	0	0	111.9	A828 L829 L830 T834 A835 Q836 K916 Q919	A828-Y832 VanDerWaalsContact O-CB 3.31Å; A828-Y832 WeakPolarHBondContact O-CB 3.26Å; A828-Y832 PolarHBondContact O-N 3.28Å; L829-Y832 PolarHBondContact O-N 2.8Å; L830-Y832 VanDerWaalsContact C-N 3.29Å; L830-Y832 PolarHBondContact O-N 3.25Å; Y832-T834 VanDerWaalsContact C-N 3.3Å; Y832-T834 PolarHBondContact O-N 2.72Å; Y832-A835 PolarHBondContact O-N 2.58Å; Y832-Q836 HydrophobicContact CD2-CG 4.41Å; Y832-Q836 HydrophobicContact CE2-CG 3.74Å; Y832-Q836 VanDerWaalsContact CE2-NE2 3.33Å; Y832-Q836 WeakPolarHBondContact O-CG 3.29Å; Y832-Q836 PolarHBondContact O-N 3.02Å; Y832-Q836 PolarHBondContact OH-NE2 2.86Å; Y832-K916 HydrophobicContact CE1-CG 4.13Å; Y832-Q919 HydrophobicContact CE2-CB 4.5Å; Y832-Q919 PolarHBondContact OH-OE1 3.49Å; Y832-Q919 VanDerWaalsContact OH-OE1 3.11Å
833	Q	61.6	Low	59.8	Low	126 Å²	126	66.1 Å²	66.1	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-62.2	-35.2	178.7	-173.7	174.5	-1.9	0	0	112.9	L829 L830	L829-Q833 PolarHBondContact O-N 2.76Å; L830-Q833 PolarHBondContact O-N 3.08Å
834	T	62.7	Low	58.4	Low	46 Å²	46	66.8 Å²	66.8	28%	0.282	35%	0.351	S	S	.	.	H	α-helix	trans	-82.4	-31.2	179.4	47	0	0	0	0	113.5	G765 L830 Q831 Y832 Q836 L837 A838	G765-T834 VanDerWaalsContact CA-OG1 3.31Å; G765-T834 WeakPolarHBondContact CA-OG1 3.36Å; G765-T834 PolarHBondContact N-OG1 3.17Å; L830-T834 PolarHBondContact O-N 2.8Å; L830-T834 PolarHBondContact O-OG1 3.45Å; Q831-T834 WeakPolarHBondContact CA-OG1 3.42Å; Q831-T834 PolarHBondContact O-N 2.83Å; Q831-T834 PolarHBondContact O-OG1 3.47Å; Y832-T834 VanDerWaalsContact C-N 3.3Å; Y832-T834 PolarHBondContact O-N 2.72Å; T834-Q836 VanDerWaalsContact C-N 3.33Å; T834-Q836 PolarHBondContact O-N 3.26Å; T834-L837 WeakPolarHBondContact O-CB 3.32Å; T834-L837 PolarHBondContact O-N 3.24Å; T834-L837 VanDerWaalsContact O-N 3.12Å; T834-A838 PolarHBondContact O-N 3.16Å
835	A	59.5	Low	56.8	Low	35 Å²	35	72.1 Å²	72.1	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-37.3	172.5	0	0	0	0	0	112	Q831 Y832 L837 A838 S839	Q831-A835 VanDerWaalsContact O-CB 3.23Å; Q831-A835 WeakPolarHBondContact O-CB 3.32Å; Q831-A835 PolarHBondContact O-N 3.25Å; Y832-A835 PolarHBondContact O-N 2.58Å; A835-L837 PolarHBondContact O-N 2.04Å; A835-A838 PolarHBondContact O-N 3.38Å; A835-S839 WeakPolarHBondContact O-CB 3.44Å; A835-S839 PolarHBondContact O-N 2.68Å
836	Q	51.6	Low	55.6	Low	87 Å²	87	74.5 Å²	74.5	41%	0.407	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-25	173	-69	-68.5	3	0	0	113.2	Y832 T834	Y832-Q836 HydrophobicContact CD2-CG 4.41Å; Y832-Q836 HydrophobicContact CE2-CG 3.74Å; Y832-Q836 VanDerWaalsContact CE2-NE2 3.33Å; Y832-Q836 WeakPolarHBondContact O-CG 3.29Å; Y832-Q836 PolarHBondContact O-N 3.02Å; Y832-Q836 PolarHBondContact OH-NE2 2.86Å; T834-Q836 VanDerWaalsContact C-N 3.33Å; T834-Q836 PolarHBondContact O-N 3.26Å
837	L	47.7	Very low	54.4	Low	144 Å²	144	76.8 Å²	76.8	75%	0.754	41%	0.412	S	S	*	.	H	α-helix	trans	-83.9	-16.4	173.6	-65.4	169.7	0	0	0	113.3	T834 A835	T834-L837 WeakPolarHBondContact O-CB 3.32Å; T834-L837 PolarHBondContact O-N 3.24Å; T834-L837 VanDerWaalsContact O-N 3.12Å; A835-L837 PolarHBondContact O-N 2.04Å
838	A	48.3	Very low	53	Low	24 Å²	24	85.2 Å²	85.2	20%	0.198	45%	0.451	C	S	.	.	H	α-helix	trans	-97.2	-23.8	177.1	0	0	0	0	0	113.2	R766 T834 A835 D840	R766-A838 WeakPolarHBondContact O-CB 3.38Å; T834-A838 PolarHBondContact O-N 3.16Å; A835-A838 PolarHBondContact O-N 3.38Å; A838-D840 VanDerWaalsContact C-N 3.27Å; A838-D840 PolarHBondContact O-N 2.82Å; A838-D840 VanDerWaalsContact O-N 3.16Å
839	S	44.5	Very low	52.4	Low	29 Å²	29	88.5 Å²	88.5	20%	0.203	47%	0.468	C	S	.	.			trans	-84.6	29.7	-172.8	-167.9	0	0	0	0	115.2	A835 S841	A835-S839 WeakPolarHBondContact O-CB 3.44Å; A835-S839 PolarHBondContact O-N 2.68Å; S839-S841 PolarHBondContact O-N 3.08Å; S839-S841 VanDerWaalsContact O-N 3.17Å
840	D	39.4	Very low	52.3	Low	125 Å²	125	89.3 Å²	89.3	67%	0.668	48%	0.479	S	S	*	.			trans	-72.5	-5.7	178.9	-137	-20.3	0	0	0	113.2	A838 N842 K845	A838-D840 VanDerWaalsContact C-N 3.27Å; A838-D840 PolarHBondContact O-N 2.82Å; A838-D840 VanDerWaalsContact O-N 3.16Å; D840-N842 PolarHBondContact O-N 2.86Å; D840-K845 PolarHBondContact O-NZ 2.89Å; D840-K845 VanDerWaalsContact O-NZ 3.1Å; D840-K845 IonicContact OD1-NZ 2.67Å; D840-K845 PolarHBondContact OD1-NZ 3.02Å
841	S	38.4	Very low	52.7	Low	62 Å²	62	89.8 Å²	89.8	43%	0.434	49%	0.486	S	S	.	.	S	Bend	trans	-87.1	78.9	177.7	57.1	0	0	0	0	113.5	S839 D843	S839-S841 PolarHBondContact O-N 3.08Å; S839-S841 VanDerWaalsContact O-N 3.17Å; S841-D843 VanDerWaalsContact C-N 3.34Å; S841-D843 PolarHBondContact O-N 3.42Å
842	N	41.6	Very low	53	Low	118 Å²	118	91 Å²	91	63%	0.631	50%	0.497	S	S	*	.	S	Bend	trans	58.9	-29.2	154.5	-66.5	-18.9	0	0	0	122.4	D840 L844 K845	D840-N842 PolarHBondContact O-N 2.86Å; N842-L844 PolarHBondContact O-N 3.35Å; N842-K845 WeakPolarHBondContact O-CB 3.45Å; N842-K845 PolarHBondContact O-N 3.01Å; N842-K845 VanDerWaalsContact O-N 3.09Å
843	D	41.2	Very low	54	Low	137 Å²	137	97.3 Å²	97.3	73%	0.733	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-72	-34.6	-169.6	-77.9	-25	0	0	0	114.4	S841 K845 S846	S841-D843 VanDerWaalsContact C-N 3.34Å; S841-D843 PolarHBondContact O-N 3.42Å; D843-K845 VanDerWaalsContact C-N 3.27Å; D843-K845 PolarHBondContact O-N 2.9Å; D843-S846 PolarHBondContact O-OG 3.13Å
844	L	43.4	Very low	55.3	Low	111 Å²	111	92.8 Å²	92.8	58%	0.581	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-76.5	-8	170.8	-93	88.2	0	0	0	113.9	N842 S846	N842-L844 PolarHBondContact O-N 3.35Å; L844-S846 PolarHBondContact O-N 2.85Å
845	K	41	Very low	56.4	Low	135 Å²	135	90.8 Å²	90.8	59%	0.587	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-78	5	176.1	-70.2	172.4	178.3	146.7	0	112.6	D840 N842 D843	D840-K845 PolarHBondContact O-NZ 2.89Å; D840-K845 VanDerWaalsContact O-NZ 3.1Å; D840-K845 IonicContact OD1-NZ 2.67Å; D840-K845 PolarHBondContact OD1-NZ 3.02Å; N842-K845 WeakPolarHBondContact O-CB 3.45Å; N842-K845 PolarHBondContact O-N 3.01Å; N842-K845 VanDerWaalsContact O-N 3.09Å; D843-K845 VanDerWaalsContact C-N 3.27Å; D843-K845 PolarHBondContact O-N 2.9Å
846	S	42.7	Very low	57.6	Low	102 Å²	102	93.6 Å²	93.6	71%	0.713	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-85	-14	179.2	58.9	0	0	0	0	114.8	D843 L844	D843-S846 PolarHBondContact O-OG 3.13Å; L844-S846 PolarHBondContact O-N 2.85Å
847	Q	47.9	Very low	59.2	Low	140 Å²	140	92.2 Å²	92.2	65%	0.654	50%	0.503	S	S	*	.	S	Bend	trans	-121.6	116.9	167.1	-69.3	-175.3	-7.8	0	0	109.8	I849	Q847-I849 HydrophobicContact CB-CD1 4.32Å; Q847-I849 HydrophobicContact CB-CG1 3.83Å; Q847-I849 PolarHBondContact O-N 2.95Å
848	Q	48.8	Very low	60.8	Low	184 Å²	184	92.4 Å²	92.4	86%	0.86	50%	0.504	S	S	*	.			trans	-73.1	81.3	167.7	-76.6	-175	-23.2	0	0	109	S850	Q848-S850 PolarHBondContact O-N 3.23Å
849	I	60.4	Low	62.8	Low	70 Å²	70	94.9 Å²	94.9	36%	0.359	51%	0.513	S	S	.	.			trans	-75.6	67.3	176.2	-53.8	-176.4	0	0	0	109	Q847 P911	Q847-I849 HydrophobicContact CB-CD1 4.32Å; Q847-I849 HydrophobicContact CB-CG1 3.83Å; Q847-I849 PolarHBondContact O-N 2.95Å; I849-P911 HydrophobicContact CG2-CB 3.45Å; I849-P911 VanDerWaalsContact CG2-CB 3.45Å; I849-P911 HydrophobicContact CG2-CG 3.7Å
850	S	64	Low	64.8	Low	80 Å²	80	96.5 Å²	96.5	56%	0.559	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-91.7	141.9	175	58.5	0	0	0	0	110.8	Q848 A852	Q848-S850 PolarHBondContact O-N 3.23Å; S850-A852 PolarHBondContact O-N 3.43Å
851	P	78.7	Confident	66.9	Low	72 Å²	72	92.9 Å²	92.9	47%	0.468	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-51.7	140	166.7	-25.2	34.6	0	0	0	111.4	D908	P851-D908 CarbonylContact C-O 3.33Å; P851-D908 WeakPolarHBondContact CA-O 3.35Å
852	A	84.6	Confident	69.2	Low	32 Å²	32	90.7 Å²	90.7	26%	0.264	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-64.1	150.8	179.2	0	0	0	0	0	111.5	S850 H854 C855 D908	S850-A852 PolarHBondContact O-N 3.43Å; A852-H854 VanDerWaalsContact C-N 3.28Å; A852-H854 WeakPolarHBondContact CB-CE1 3.43Å; A852-H854 WeakPolarHBondContact CB-ND1 3.3Å; A852-H854 PolarHBondContact O-N 2.91Å; A852-C855 WeakPolarHBondContact O-CB 3.4Å; A852-C855 PolarHBondContact O-N 2.98Å; A852-C855 VanDerWaalsContact O-N 3.13Å; A852-C855 PolarHBondContact O-SG 2.81Å; A852-D908 HydrophobicContact CB-CB 4.11Å; A852-D908 PolarHBondContact N-O 2.79Å
853	K	86.1	Confident	71.2	Confident	185 Å²	185	92 Å²	92	80%	0.804	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-60.9	-37.8	-169.9	-70	-179.8	-179.3	173.7	0	112.4	C855 S856	K853-C855 PolarHBondContact O-N 3.3Å; K853-S856 PolarHBondContact O-N 2.78Å; K853-S856 PolarHBondContact O-OG 2.92Å
854	H	88.2	Confident	73	Confident	31 Å²	31	90.1 Å²	90.1	14%	0.144	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-61.3	-27.6	179.5	50.5	-76.4	0	0	0	113.9	A852 S856 Q857 E896 N897 F899 D908	A852-H854 VanDerWaalsContact C-N 3.28Å; A852-H854 WeakPolarHBondContact CB-CE1 3.43Å; A852-H854 WeakPolarHBondContact CB-ND1 3.3Å; A852-H854 PolarHBondContact O-N 2.91Å; H854-S856 PolarHBondContact O-N 2.84Å; H854-Q857 VanDerWaalsContact O-CB 3.24Å; H854-Q857 WeakPolarHBondContact O-CB 3.13Å; H854-Q857 WeakPolarHBondContact O-CG 3.05Å; H854-Q857 PolarHBondContact O-N 3.22Å; H854-E896 HydrophobicContact CB-CB 3.32Å; H854-E896 HydrophobicContact CB-CG 4.5Å; H854-E896 PolarHBondContact CD2-O 2.95Å; H854-N897 WeakPolarHBondContact O-CB 3.25Å; H854-F899 AromaticContact CD2-CE1 3.9Å; H854-F899 AromaticContact CD2-CZ 3.47Å; H854-F899 VanDerWaalsContact CD2-CZ 3.47Å; H854-F899 WeakPolarHBondContact CD2-CZ 3.2Å; H854-F899 AromaticContact NE2-CE1 3.56Å; H854-F899 AromaticContact NE2-CZ 3.52Å; H854-D908 IonicContact CE1-OD2 3.06Å; H854-D908 PolarHBondContact CE1-OD2 2.87Å; H854-D908 IonicContact NE2-OD2 3.66Å; H854-D908 PolarHBondContact NE2-OD2 3.4Å
855	C	87.4	Confident	74.6	Confident	4 Å²	4	85.3 Å²	85.3	3%	0.027	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-57.6	-22.7	175.9	-56.3	0	0	0	0	113.5	A852 K853 F877 P879 C909	A852-C855 WeakPolarHBondContact O-CB 3.4Å; A852-C855 PolarHBondContact O-N 2.98Å; A852-C855 VanDerWaalsContact O-N 3.13Å; A852-C855 PolarHBondContact O-SG 2.81Å; K853-C855 PolarHBondContact O-N 3.3Å; C855-F877 HydrophobicContact CB-CB 4.46Å; C855-F877 HydrophobicContact CB-CD1 3.9Å; C855-F877 HydrophobicContact CB-CG 4.46Å; C855-F877 WeakPolarHBondContact O-CD1 3.45Å; C855-P879 WeakPolarHBondContact O-CG 3.47Å; C855-C909 HydrophobicContact CB-CB 3.58Å; C855-C909 WeakPolarHBondContact CB-SG 3.45Å; C855-C909 WeakPolarHBondContact SG-CA 3.37Å; C855-C909 WeakPolarHBondContact SG-CB 3.31Å; C855-C909 CovalentContact SG-SG 2.02Å; C855-C909 PolarHBondContact SG-SG 2.9Å
856	S	83.1	Confident	76.4	Confident	93 Å²	93	86 Å²	86	65%	0.65	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-80.7	-14.1	175.1	66.3	0	0	0	0	114.6	K853 H854	K853-S856 PolarHBondContact O-N 2.78Å; K853-S856 PolarHBondContact O-OG 2.92Å; H854-S856 PolarHBondContact O-N 2.84Å
857	Q	85.2	Confident	77.8	Confident	59 Å²	59	87.4 Å²	87.4	28%	0.276	47%	0.47	S	S	.	.	S	Bend	trans	-71	148.8	179.4	-58.7	167.4	4.1	0	0	110	H854 N895 N897	H854-Q857 VanDerWaalsContact O-CB 3.24Å; H854-Q857 WeakPolarHBondContact O-CB 3.13Å; H854-Q857 WeakPolarHBondContact O-CG 3.05Å; H854-Q857 PolarHBondContact O-N 3.22Å; Q857-N895 VanDerWaalsContact OE1-CB 3.31Å; Q857-N895 PolarHBondContact OE1-OD1 3.02Å; Q857-N897 HydrophobicContact CB-CB 4.2Å; Q857-N897 PolarHBondContact O-ND2 2.7Å
858	L	82.8	Confident	78.6	Confident	148 Å²	148	83.7 Å²	83.7	78%	0.775	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-68.6	157.8	172.2	-68.3	170.1	0	0	0	110.4	D860 N895	L858-D860 PolarHBondContact O-N 2.87Å; L858-N895 PolarHBondContact O-ND2 2.92Å
859	M	88.8	Confident	79.5	Confident	76 Å²	76	80.7 Å²	80.7	37%	0.374	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-63.5	127.7	170.5	-177.2	-95.1	-71.4	0	0	110	P861 Y876 F887	M859-P861 HydrophobicContact SD-CB 4.32Å; M859-P861 HydrophobicContact SD-CG 4.46Å; M859-Y876 HydrophobicContact CB-CD1 4.02Å; M859-Y876 HydrophobicContact CB-CD2 3.56Å; M859-Y876 HydrophobicContact CB-CE1 4.17Å; M859-Y876 HydrophobicContact CB-CE2 3.72Å; M859-Y876 HydrophobicContact CB-CG 3.7Å; M859-Y876 HydrophobicContact CG-CD1 3.69Å; M859-Y876 HydrophobicContact CG-CD2 4.15Å; M859-Y876 HydrophobicContact CG-CE1 4.01Å; M859-Y876 HydrophobicContact CG-CE2 4.44Å; M859-Y876 HydrophobicContact CG-CG 3.75Å; M859-F887 HydrophobicContact CE-CB 4.11Å; M859-F887 HydrophobicContact CG-CB 3.92Å; M859-F887 HydrophobicContact CG-CD1 4.08Å; M859-F887 HydrophobicContact CG-CD2 3.62Å; M859-F887 HydrophobicContact CG-CE1 4.47Å; M859-F887 HydrophobicContact CG-CE2 4.06Å; M859-F887 HydrophobicContact CG-CG 3.62Å; M859-F887 HydrophobicContact CG-CZ 4.45Å; M859-F887 HydrophobicContact SD-CB 3.9Å; M859-F887 HydrophobicContact SD-CD2 3.49Å; M859-F887 WeakPolarHBondContact SD-CD2 3.24Å; M859-F887 HydrophobicContact SD-CE2 4.18Å; M859-F887 HydrophobicContact SD-CG 3.88Å
860	D	87.3	Confident	80	Confident	62 Å²	62	81.9 Å²	81.9	33%	0.332	47%	0.466	S	S	.	.			trans	-120.2	111.1	173.3	-178.2	0.9	0	0	0	109.6	L858 G862 F887 G894	L858-D860 PolarHBondContact O-N 2.87Å; D860-G862 PolarHBondContact O-N 2.89Å; D860-G862 WeakPolarHBondContact OD1-CA 3.09Å; D860-G862 PolarHBondContact OD1-N 3.12Å; D860-F887 WeakPolarHBondContact O-CE2 3.38Å; D860-G894 VanDerWaalsContact CG-CA 3.5Å; D860-G894 VanDerWaalsContact OD2-CA 3.25Å; D860-G894 WeakPolarHBondContact OD2-CA 3.39Å
861	P	83.7	Confident	80.6	Confident	49 Å²	49	80.9 Å²	80.9	32%	0.318	46%	0.458	S	S	.	.			trans	-70	-10.1	178.4	31.8	-35.6	0	0	0	112.9	M859 E888 Y889 R890	M859-P861 HydrophobicContact SD-CB 4.32Å; M859-P861 HydrophobicContact SD-CG 4.46Å; P861-E888 WeakPolarHBondContact CB-O 3.44Å; P861-Y889 WeakPolarHBondContact O-CD2 3.21Å; P861-R890 WeakPolarHBondContact O-CB 3.28Å; P861-R890 WeakPolarHBondContact O-CG 3.18Å; P861-R890 PolarHBondContact O-N 2.94Å
862	G	86.5	Confident	80.5	Confident	17 Å²	17	81.6 Å²	81.6	18%	0.175	46%	0.455	C	S	.	.			trans	67.8	-154.7	-177.4	0	0	0	0	0	113.3	D860 R890 C892	D860-G862 PolarHBondContact O-N 2.89Å; D860-G862 WeakPolarHBondContact OD1-CA 3.09Å; D860-G862 PolarHBondContact OD1-N 3.12Å; G862-R890 WeakPolarHBondContact O-CD 3.38Å; G862-C892 CarbonylContact C-O 3.57Å; G862-C892 VanDerWaalsContact CA-O 3.29Å; G862-C892 WeakPolarHBondContact CA-O 2.98Å
863	Y	82.5	Confident	80.4	Confident	146 Å²	146	81.5 Å²	81.5	57%	0.573	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	160.2	179.1	58.8	-91.5	0	0	0	111.4	C865 R890 C892	Y863-C865 PolarHBondContact O-N 2.93Å; Y863-R890 VanDerWaalsContact C-CB 3.42Å; Y863-R890 CarbonylContact O-C 3.58Å; Y863-R890 WeakPolarHBondContact O-CB 3.42Å; Y863-C892 HydrophobicContact CD2-CB 3.87Å; Y863-C892 HydrophobicContact CE2-CB 3.48Å; Y863-C892 VanDerWaalsContact CE2-CB 3.48Å; Y863-C892 PolarHBondContact N-O 3.07Å; Y863-C892 PolarHBondContact O-N 2.95Å; Y863-C892 VanDerWaalsContact O-N 3.07Å; Y863-C892 VanDerWaalsContact O-O 3.12Å
864	T	80.8	Confident	80.5	Confident	97 Å²	97	75.1 Å²	75.1	60%	0.595	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.2	177.7	45.6	0	0	0	0	110.3	R890	T864-R890 WeakPolarHBondContact CA-O 3.48Å; T864-R890 HydrophobicContact CG2-CB 4.32Å
865	C	77.2	Confident	80.4	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.061	42%	0.424	C	S	.	.			trans	-57.6	146.6	175.5	-61.5	0	0	0	0	112	Y863 D867 G868 K869 G891 C892	Y863-C865 PolarHBondContact O-N 2.93Å; C865-D867 PolarHBondContact O-N 2.79Å; C865-G868 PolarHBondContact O-N 2.8Å; C865-G868 VanDerWaalsContact O-N 3.17Å; C865-K869 HydrophobicContact CB-CB 4.5Å; C865-G891 PolarHBondContact SG-O 3.08Å; C865-C892 WeakPolarHBondContact CA-SG 3.05Å; C865-C892 HydrophobicContact CB-CB 4.07Å; C865-C892 WeakPolarHBondContact CB-SG 3.5Å; C865-C892 WeakPolarHBondContact SG-CB 3.42Å; C865-C892 PolarHBondContact SG-N 3.1Å; C865-C892 VanDerWaalsContact SG-N 3.39Å; C865-C892 CovalentContact SG-SG 2.04Å; C865-C892 PolarHBondContact SG-SG 3.04Å
866	V	77.8	Confident	80.5	Confident	149 Å²	149	76.5 Å²	76.5	90%	0.903	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.6	170.5	-175.1	0	0	0	0	111	G868	V866-G868 PolarHBondContact O-N 3.12Å; V866-G868 VanDerWaalsContact O-N 3.16Å
867	D	72.9	Confident	80.8	Confident	132 Å²	132	72.8 Å²	72.8	71%	0.706	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	6.5	-179.1	-44.3	-38.9	0	0	0	114.5	C865 K869	C865-D867 PolarHBondContact O-N 2.79Å; D867-K869 VanDerWaalsContact C-N 3.32Å; D867-K869 PolarHBondContact O-N 2.8Å
868	G	63.5	Low	80.6	Confident	62 Å²	62	70.8 Å²	70.8	64%	0.639	39%	0.391	S	S	*	.			trans	68.9	20.6	172.8	0	0	0	0	0	116	C865 V866	C865-G868 PolarHBondContact O-N 2.8Å; C865-G868 VanDerWaalsContact O-N 3.17Å; V866-G868 PolarHBondContact O-N 3.12Å; V866-G868 VanDerWaalsContact O-N 3.16Å
869	K	68.2	Low	80.3	Confident	121 Å²	121	66.6 Å²	66.6	53%	0.526	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-57.7	130.3	173.8	-69.7	-176.8	-177.7	173.4	0	110.2	C865 D867	C865-K869 HydrophobicContact CB-CB 4.5Å; D867-K869 VanDerWaalsContact C-N 3.32Å; D867-K869 PolarHBondContact O-N 2.8Å
870	P	71.1	Confident	79.3	Confident	95 Å²	95	73.6 Å²	73.6	62%	0.617	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-66.5	152.4	178	28.6	-35	0	0	0	110.8
871	P	75.9	Confident	78.3	Confident	60 Å²	60	74.2 Å²	74.2	39%	0.39	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-58.9	142.6	173.1	25	-33.1	0	0	0	111.1	E888 Y889	P871-E888 HydrophobicContact CB-CG 3.63Å; P871-E888 HydrophobicContact CG-CG 4.49Å; P871-Y889 CarbonylContact C-O 3.52Å; P871-Y889 VanDerWaalsContact CA-O 3.3Å; P871-Y889 WeakPolarHBondContact CA-O 3.5Å
872	Q	76.9	Confident	77.8	Confident	86 Å²	86	78.7 Å²	78.7	40%	0.402	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.4	-178.7	-64.4	-173.8	-15.7	0	0	110.2	R874 Y889	Q872-R874 HydrophobicContact CB-CG 4.49Å; Q872-R874 PolarHBondContact O-N 3.14Å; Q872-Y889 PolarHBondContact N-O 3.36Å; Q872-Y889 PolarHBondContact O-N 3.22Å
873	S	82.2	Confident	77.3	Confident	31 Å²	31	85.9 Å²	85.9	22%	0.217	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127	166.4	-171.8	0	0	0	0	109
874	R	88.1	Confident	77.2	Confident	51 Å²	51	79.3 Å²	79.3	19%	0.192	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	169.8	-179.8	-66.8	-66.5	-171.5	87.6	-1.3	109.2	Q872 D886 F887 Y889 N898	Q872-R874 HydrophobicContact CB-CG 4.49Å; Q872-R874 PolarHBondContact O-N 3.14Å; R874-D886 CarbonylContact O-C 3.47Å; R874-D886 VanDerWaalsContact O-CA 3.25Å; R874-D886 WeakPolarHBondContact O-CA 3.43Å; R874-F887 HydrophobicContact CB-CD1 3.98Å; R874-F887 HydrophobicContact CB-CE1 3.49Å; R874-F887 VanDerWaalsContact CB-CE1 3.49Å; R874-F887 HydrophobicContact CB-CZ 3.86Å; R874-F887 PolarHBondContact N-O 3.28Å; R874-F887 WeakPolarHBondContact O-CD1 3.29Å; R874-F887 PolarHBondContact O-N 2.82Å; R874-Y889 HydrophobicContact CG-CD1 4.32Å; R874-Y889 HydrophobicContact CG-CG 4.2Å; R874-N898 VanDerWaalsContact CB-OD1 3.31Å; R874-N898 WeakPolarHBondContact CB-OD1 3.42Å; R874-N898 WeakPolarHBondContact CD-OD1 3.49Å; R874-N898 WeakPolarHBondContact CG-OD1 3.45Å; R874-N898 PolarHBondContact NH1-OD1 3.11Å
875	W	87	Confident	77.3	Confident	39 Å²	39	80.3 Å²	80.3	15%	0.148	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.5	178.5	-65.2	83.6	0	0	0	110.9	R885 D886 F899 Y902 C905	W875-R885 CarbonylContact C-O 3.59Å; W875-R885 VanDerWaalsContact CA-O 3.26Å; W875-R885 WeakPolarHBondContact CA-O 3.5Å; W875-D886 HydrophobicContact CD2-CB 4.45Å; W875-D886 HydrophobicContact CE3-CB 4.33Å; W875-D886 HydrophobicContact CH2-CB 4.38Å; W875-D886 HydrophobicContact CZ2-CB 4.48Å; W875-D886 HydrophobicContact CZ3-CB 4.3Å; W875-F899 HydrophobicContact CB-CB 4.19Å; W875-F899 PolarHBondContact N-O 3.23Å; W875-F899 WeakPolarHBondContact O-CD2 3.29Å; W875-F899 PolarHBondContact O-N 3.18Å; W875-Y902 HydrophobicContact CD2-CD2 4.17Å; W875-Y902 AromaticContact CE3-CD2 3.52Å; W875-Y902 HydrophobicContact CE3-CD2 3.52Å; W875-Y902 HydrophobicContact CE3-CE2 4.43Å; W875-Y902 HydrophobicContact CE3-CG 4.28Å; W875-Y902 HydrophobicContact CH2-CD2 4.06Å; W875-Y902 HydrophobicContact CH2-CG 4.44Å; W875-Y902 AromaticContact CZ3-CD2 3.45Å; W875-Y902 HydrophobicContact CZ3-CD2 3.45Å; W875-Y902 VanDerWaalsContact CZ3-CD2 3.45Å; W875-Y902 HydrophobicContact CZ3-CE2 4.13Å; W875-Y902 HydrophobicContact CZ3-CG 4.23Å; W875-C905 HydrophobicContact CB-CB 4.27Å
876	Y	89.9	Confident	77.6	Confident	25 Å²	25	81.8 Å²	81.8	10%	0.098	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.4	173	81.1	-81.2	0	0	0	109.9	M859 C878 C884 R885 F887 N897 C905	M859-Y876 HydrophobicContact CB-CD1 4.02Å; M859-Y876 HydrophobicContact CB-CD2 3.56Å; M859-Y876 HydrophobicContact CB-CE1 4.17Å; M859-Y876 HydrophobicContact CB-CE2 3.72Å; M859-Y876 HydrophobicContact CB-CG 3.7Å; M859-Y876 HydrophobicContact CG-CD1 3.69Å; M859-Y876 HydrophobicContact CG-CD2 4.15Å; M859-Y876 HydrophobicContact CG-CE1 4.01Å; M859-Y876 HydrophobicContact CG-CE2 4.44Å; M859-Y876 HydrophobicContact CG-CG 3.75Å; Y876-C878 HydrophobicContact CD2-CB 4.46Å; Y876-C878 HydrophobicContact CE2-CB 3.68Å; Y876-C884 CarbonylContact O-C 3.48Å; Y876-C884 VanDerWaalsContact O-CA 3.29Å; Y876-C884 WeakPolarHBondContact O-CA 3.47Å; Y876-R885 HydrophobicContact CD1-CB 4.13Å; Y876-R885 VanDerWaalsContact CD1-O 3.29Å; Y876-R885 WeakPolarHBondContact CD1-O 3.36Å; Y876-R885 HydrophobicContact CE1-CB 3.59Å; Y876-R885 PolarHBondContact N-O 2.88Å; Y876-R885 PolarHBondContact O-N 2.89Å; Y876-F887 HydrophobicContact CD1-CB 4.1Å; Y876-F887 AromaticContact CD1-CD1 3.78Å; Y876-F887 HydrophobicContact CD1-CD1 3.78Å; Y876-F887 HydrophobicContact CD1-CG 4.21Å; Y876-F887 HydrophobicContact CE1-CB 4.39Å; Y876-F887 HydrophobicContact CG-CD1 4.3Å; Y876-N897 WeakPolarHBondContact CB-O 3.45Å; Y876-C905 VanDerWaalsContact C-SG 3.55Å
877	F	88.2	Confident	77.9	Confident	14 Å²	14	75.5 Å²	75.5	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.6	171	-177.8	-109.2	0	0	0	110.5	C855 P879 R882 N897 C905 C909 L910	C855-F877 HydrophobicContact CB-CB 4.46Å; C855-F877 HydrophobicContact CB-CD1 3.9Å; C855-F877 HydrophobicContact CB-CG 4.46Å; C855-F877 WeakPolarHBondContact O-CD1 3.45Å; F877-P879 HydrophobicContact CD1-CG 4.34Å; F877-P879 HydrophobicContact CE1-CG 4.48Å; F877-P879 WeakPolarHBondContact O-CD 3.49Å; F877-R882 HydrophobicContact CZ-CB 4.31Å; F877-R882 HydrophobicContact CZ-CG 4.29Å; F877-N897 PolarHBondContact N-OD1 3.17Å; F877-N897 PolarHBondContact O-ND2 2.91Å; F877-C905 PolarHBondContact N-SG 3.44Å; F877-C905 VanDerWaalsContact N-SG 3.43Å; F877-C909 HydrophobicContact CB-CB 3.59Å; F877-C909 WeakPolarHBondContact CB-SG 3.35Å; F877-C909 HydrophobicContact CD1-CB 3.79Å; F877-C909 HydrophobicContact CD2-CB 3.56Å; F877-C909 HydrophobicContact CE1-CB 4.31Å; F877-C909 HydrophobicContact CE2-CB 4.13Å; F877-C909 HydrophobicContact CG-CB 3.36Å; F877-C909 HydrophobicContact CZ-CB 4.45Å; F877-L910 HydrophobicContact CD2-CD1 4.49Å; F877-L910 HydrophobicContact CD2-CG 4.3Å; F877-L910 HydrophobicContact CE2-CD1 3.77Å; F877-L910 HydrophobicContact CE2-CD2 3.73Å; F877-L910 HydrophobicContact CE2-CG 3.52Å; F877-L910 HydrophobicContact CZ-CD2 3.85Å; F877-L910 HydrophobicContact CZ-CG 4.13Å
878	C	80.5	Confident	78.4	Confident	17 Å²	17	72.9 Å²	72.9	12%	0.115	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107	174.7	-175.4	0	0	0	0	110.4	Y876 R880 L881 R882 R883	Y876-C878 HydrophobicContact CD2-CB 4.46Å; Y876-C878 HydrophobicContact CE2-CB 3.68Å; C878-R880 VanDerWaalsContact C-N 3.27Å; C878-R880 PolarHBondContact O-N 2.94Å; C878-L881 HydrophobicContact CB-CB 4.28Å; C878-L881 PolarHBondContact O-N 2.76Å; C878-L881 VanDerWaalsContact O-N 3.15Å; C878-R882 WeakPolarHBondContact O-CA 3.37Å; C878-R882 PolarHBondContact O-N 2.84Å; C878-R883 WeakPolarHBondContact CB-O 3.37Å; C878-R883 PolarHBondContact N-O 2.74Å
879	P	76.8	Confident	79.5	Confident	61 Å²	61	71.1 Å²	71.1	40%	0.396	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-36.8	-177.5	-26.4	36.1	0	0	0	113.3	C855 F877 L881 R882	C855-P879 WeakPolarHBondContact O-CG 3.47Å; F877-P879 HydrophobicContact CD1-CG 4.34Å; F877-P879 HydrophobicContact CE1-CG 4.48Å; F877-P879 WeakPolarHBondContact O-CD 3.49Å; P879-L881 VanDerWaalsContact C-N 3.31Å; P879-L881 PolarHBondContact O-N 2.99Å; P879-R882 PolarHBondContact O-N 2.81Å
880	R	69.6	Low	80.1	Confident	223 Å²	223	71 Å²	71	84%	0.842	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.2	-179.4	-164	-178.2	80.4	119.1	-0.5	113.3	C878	C878-R880 VanDerWaalsContact C-N 3.27Å; C878-R880 PolarHBondContact O-N 2.94Å
881	L	65.9	Low	80.4	Confident	74 Å²	74	67.2 Å²	67.2	39%	0.387	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-6.6	-178.4	-62.9	176.8	0	0	0	113.1	C878 P879 R883	C878-L881 HydrophobicContact CB-CB 4.28Å; C878-L881 PolarHBondContact O-N 2.76Å; C878-L881 VanDerWaalsContact O-N 3.15Å; P879-L881 VanDerWaalsContact C-N 3.31Å; P879-L881 PolarHBondContact O-N 2.99Å; L881-R883 PolarHBondContact O-N 3.08Å
882	R	73	Confident	80.9	Confident	143 Å²	143	66 Å²	66	54%	0.54	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.1	49.3	-165.2	-76.3	-163.1	173	-175.4	3.6	112.8	F877 C878 P879	F877-R882 HydrophobicContact CZ-CB 4.31Å; F877-R882 HydrophobicContact CZ-CG 4.29Å; C878-R882 WeakPolarHBondContact O-CA 3.37Å; C878-R882 PolarHBondContact O-N 2.84Å; P879-R882 PolarHBondContact O-N 2.81Å
883	R	75.4	Confident	81.3	Confident	168 Å²	168	63.7 Å²	63.7	63%	0.634	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	144	178.6	-77.1	-173.3	-115.2	-176.5	-4	111.4	C878 L881	C878-R883 WeakPolarHBondContact CB-O 3.37Å; C878-R883 PolarHBondContact N-O 2.74Å; L881-R883 PolarHBondContact O-N 3.08Å
884	C	80.6	Confident	81.4	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.054	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	136.5	164.5	-68	0	0	0	0	110.3	Y876 Y902 C905 L906	Y876-C884 CarbonylContact O-C 3.48Å; Y876-C884 VanDerWaalsContact O-CA 3.29Å; Y876-C884 WeakPolarHBondContact O-CA 3.47Å; C884-Y902 HydrophobicContact CB-CD2 3.64Å; C884-Y902 HydrophobicContact CB-CE2 3.55Å; C884-C905 HydrophobicContact CB-CB 3.75Å; C884-C905 WeakPolarHBondContact CB-SG 3.48Å; C884-C905 WeakPolarHBondContact SG-CB 3.28Å; C884-C905 CovalentContact SG-SG 2.02Å; C884-C905 PolarHBondContact SG-SG 3.35Å; C884-L906 HydrophobicContact CB-CD2 4.35Å
885	R	82.4	Confident	81.5	Confident	118 Å²	118	63.3 Å²	63.3	45%	0.445	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.5	-179.2	-69.5	-167.2	66.2	-162.8	-2.9	110.4	W875 Y876	W875-R885 CarbonylContact C-O 3.59Å; W875-R885 VanDerWaalsContact CA-O 3.26Å; W875-R885 WeakPolarHBondContact CA-O 3.5Å; Y876-R885 HydrophobicContact CD1-CB 4.13Å; Y876-R885 VanDerWaalsContact CD1-O 3.29Å; Y876-R885 WeakPolarHBondContact CD1-O 3.36Å; Y876-R885 HydrophobicContact CE1-CB 3.59Å; Y876-R885 PolarHBondContact N-O 2.88Å; Y876-R885 PolarHBondContact O-N 2.89Å
886	D	83.6	Confident	81.7	Confident	41 Å²	41	67.7 Å²	67.7	22%	0.219	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	152.9	173.7	61.2	-51.6	0	0	0	112.2	R874 W875	R874-D886 CarbonylContact O-C 3.47Å; R874-D886 VanDerWaalsContact O-CA 3.25Å; R874-D886 WeakPolarHBondContact O-CA 3.43Å; W875-D886 HydrophobicContact CD2-CB 4.45Å; W875-D886 HydrophobicContact CE3-CB 4.33Å; W875-D886 HydrophobicContact CH2-CB 4.38Å; W875-D886 HydrophobicContact CZ2-CB 4.48Å; W875-D886 HydrophobicContact CZ3-CB 4.3Å
887	F	84.6	Confident	81.8	Confident	16 Å²	16	66.5 Å²	66.5	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.1	169.8	77.2	-73.7	0	0	0	111.6	M859 D860 R874 Y876 Y889 N898	M859-F887 HydrophobicContact CE-CB 4.11Å; M859-F887 HydrophobicContact CG-CB 3.92Å; M859-F887 HydrophobicContact CG-CD1 4.08Å; M859-F887 HydrophobicContact CG-CD2 3.62Å; M859-F887 HydrophobicContact CG-CE1 4.47Å; M859-F887 HydrophobicContact CG-CE2 4.06Å; M859-F887 HydrophobicContact CG-CG 3.62Å; M859-F887 HydrophobicContact CG-CZ 4.45Å; M859-F887 HydrophobicContact SD-CB 3.9Å; M859-F887 HydrophobicContact SD-CD2 3.49Å; M859-F887 WeakPolarHBondContact SD-CD2 3.24Å; M859-F887 HydrophobicContact SD-CE2 4.18Å; M859-F887 HydrophobicContact SD-CG 3.88Å; D860-F887 WeakPolarHBondContact O-CE2 3.38Å; R874-F887 HydrophobicContact CB-CD1 3.98Å; R874-F887 HydrophobicContact CB-CE1 3.49Å; R874-F887 VanDerWaalsContact CB-CE1 3.49Å; R874-F887 HydrophobicContact CB-CZ 3.86Å; R874-F887 PolarHBondContact N-O 3.28Å; R874-F887 WeakPolarHBondContact O-CD1 3.29Å; R874-F887 PolarHBondContact O-N 2.82Å; Y876-F887 HydrophobicContact CD1-CB 4.1Å; Y876-F887 AromaticContact CD1-CD1 3.78Å; Y876-F887 HydrophobicContact CD1-CD1 3.78Å; Y876-F887 HydrophobicContact CD1-CG 4.21Å; Y876-F887 HydrophobicContact CE1-CB 4.39Å; Y876-F887 HydrophobicContact CG-CD1 4.3Å; F887-Y889 HydrophobicContact CE2-CD2 4.29Å; F887-N898 HydrophobicContact CE1-CB 4.5Å; F887-N898 HydrophobicContact CZ-CB 4Å
888	E	84.2	Confident	81.9	Confident	78 Å²	78	67.1 Å²	67.1	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.5	175.7	-171.5	-179.3	-137.3	0	0	110	P861 P871	P861-E888 WeakPolarHBondContact CB-O 3.44Å; P871-E888 HydrophobicContact CB-CG 3.63Å; P871-E888 HydrophobicContact CG-CG 4.49Å
889	Y	85.4	Confident	82.4	Confident	25 Å²	25	67.1 Å²	67.1	10%	0.098	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.8	174.5	177.7	-116.7	0	0	0	110.5	P861 P871 Q872 R874 F887 G891 G893 N898	P861-Y889 WeakPolarHBondContact O-CD2 3.21Å; P871-Y889 CarbonylContact C-O 3.52Å; P871-Y889 VanDerWaalsContact CA-O 3.3Å; P871-Y889 WeakPolarHBondContact CA-O 3.5Å; Q872-Y889 PolarHBondContact N-O 3.36Å; Q872-Y889 PolarHBondContact O-N 3.22Å; R874-Y889 HydrophobicContact CG-CD1 4.32Å; R874-Y889 HydrophobicContact CG-CG 4.2Å; F887-Y889 HydrophobicContact CE2-CD2 4.29Å; Y889-G891 VanDerWaalsContact CE1-C 3.47Å; Y889-G891 VanDerWaalsContact CE1-CA 3.45Å; Y889-G891 PolarHBondContact O-N 2.84Å; Y889-G891 PolarHBondContact OH-O 3.39Å; Y889-G893 WeakPolarHBondContact CE2-O 3.43Å; Y889-G893 PolarHBondContact OH-O 2.83Å; Y889-N898 WeakPolarHBondContact CD2-ND2 3.47Å; Y889-N898 WeakPolarHBondContact CE2-ND2 3.32Å
890	R	81.1	Confident	82.9	Confident	119 Å²	119	71.8 Å²	71.8	45%	0.449	33%	0.332	S	S	.	.			trans	-79.4	0.2	-171.8	-62.7	-178.1	173.7	-148	-3.5	114.8	P861 G862 Y863 T864	P861-R890 WeakPolarHBondContact O-CB 3.28Å; P861-R890 WeakPolarHBondContact O-CG 3.18Å; P861-R890 PolarHBondContact O-N 2.94Å; G862-R890 WeakPolarHBondContact O-CD 3.38Å; Y863-R890 VanDerWaalsContact C-CB 3.42Å; Y863-R890 CarbonylContact O-C 3.58Å; Y863-R890 WeakPolarHBondContact O-CB 3.42Å; T864-R890 WeakPolarHBondContact CA-O 3.48Å; T864-R890 HydrophobicContact CG2-CB 4.32Å
891	G	78	Confident	83.5	Confident	15 Å²	15	64.7 Å²	64.7	16%	0.155	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.7	-26.2	169	0	0	0	0	0	115.5	C865 Y889	C865-G891 PolarHBondContact SG-O 3.08Å; Y889-G891 VanDerWaalsContact CE1-C 3.47Å; Y889-G891 VanDerWaalsContact CE1-CA 3.45Å; Y889-G891 PolarHBondContact O-N 2.84Å; Y889-G891 PolarHBondContact OH-O 3.39Å
892	C	85.1	Confident	84	Confident	33 Å²	33	66.2 Å²	66.2	22%	0.223	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.3	177.9	-79.8	0	0	0	0	111.5	G862 Y863 C865	G862-C892 CarbonylContact C-O 3.57Å; G862-C892 VanDerWaalsContact CA-O 3.29Å; G862-C892 WeakPolarHBondContact CA-O 2.98Å; Y863-C892 HydrophobicContact CD2-CB 3.87Å; Y863-C892 HydrophobicContact CE2-CB 3.48Å; Y863-C892 VanDerWaalsContact CE2-CB 3.48Å; Y863-C892 PolarHBondContact N-O 3.07Å; Y863-C892 PolarHBondContact O-N 2.95Å; Y863-C892 VanDerWaalsContact O-N 3.07Å; Y863-C892 VanDerWaalsContact O-O 3.12Å; C865-C892 WeakPolarHBondContact CA-SG 3.05Å; C865-C892 HydrophobicContact CB-CB 4.07Å; C865-C892 WeakPolarHBondContact CB-SG 3.5Å; C865-C892 WeakPolarHBondContact SG-CB 3.42Å; C865-C892 PolarHBondContact SG-N 3.1Å; C865-C892 VanDerWaalsContact SG-N 3.39Å; C865-C892 CovalentContact SG-SG 2.04Å; C865-C892 PolarHBondContact SG-SG 3.04Å
893	G	85.7	Confident	84.1	Confident	38 Å²	38	65.1 Å²	65.1	39%	0.392	31%	0.312	S	S	.	.	S	Bend	trans	68.2	-143.6	-172	0	0	0	0	0	111.6	Y889	Y889-G893 WeakPolarHBondContact CE2-O 3.43Å; Y889-G893 PolarHBondContact OH-O 2.83Å
894	G	85.3	Confident	84.6	Confident	26 Å²	26	58 Å²	58	27%	0.268	29%	0.291	S	S	.	.			trans	82.9	-170.9	-172.5	0	0	0	0	0	112.2	D860	D860-G894 VanDerWaalsContact CG-CA 3.5Å; D860-G894 VanDerWaalsContact OD2-CA 3.25Å; D860-G894 WeakPolarHBondContact OD2-CA 3.39Å
895	N	89.9	Confident	84.9	Confident	48 Å²	48	57.7 Å²	57.7	26%	0.257	29%	0.289	S	S	.	.			trans	-134.6	-175.8	173.5	66.8	33.9	0	0	0	111.2	Q857 L858 N897 N898	Q857-N895 VanDerWaalsContact OE1-CB 3.31Å; Q857-N895 PolarHBondContact OE1-OD1 3.02Å; L858-N895 PolarHBondContact O-ND2 2.92Å; N895-N897 VanDerWaalsContact C-N 3.26Å; N895-N897 PolarHBondContact O-N 2.97Å; N895-N897 WeakPolarHBondContact OD1-CB 3.33Å; N895-N897 PolarHBondContact OD1-N 2.8Å; N895-N898 WeakPolarHBondContact O-CB 3.34Å
896	E	91	Very high	85	Confident	132 Å²	132	52.9 Å²	52.9	62%	0.617	27%	0.272	S	S	*	.	S	Bend	trans	-74.4	-12.7	-173.8	-70.3	172	159.9	0	0	113.2	H854 N898	H854-E896 HydrophobicContact CB-CB 3.32Å; H854-E896 HydrophobicContact CB-CG 4.5Å; H854-E896 PolarHBondContact CD2-O 2.95Å; E896-N898 PolarHBondContact O-N 3.39Å
897	N	91.3	Very high	84.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.			trans	-77.2	52.5	172.3	-162	3.8	0	0	0	111.1	H854 Q857 Y876 F877 N895 F899	H854-N897 WeakPolarHBondContact O-CB 3.25Å; Q857-N897 HydrophobicContact CB-CB 4.2Å; Q857-N897 PolarHBondContact O-ND2 2.7Å; Y876-N897 WeakPolarHBondContact CB-O 3.45Å; F877-N897 PolarHBondContact N-OD1 3.17Å; F877-N897 PolarHBondContact O-ND2 2.91Å; N895-N897 VanDerWaalsContact C-N 3.26Å; N895-N897 PolarHBondContact O-N 2.97Å; N895-N897 WeakPolarHBondContact OD1-CB 3.33Å; N895-N897 PolarHBondContact OD1-N 2.8Å; N897-F899 WeakPolarHBondContact OD1-CE2 3.25Å
898	N	91.2	Very high	85.1	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.139	29%	0.291	C	S	.	.			trans	-145.1	91.9	-168.7	-178	-12.8	0	0	0	109.3	R874 F887 Y889 N895 E896	R874-N898 VanDerWaalsContact CB-OD1 3.31Å; R874-N898 WeakPolarHBondContact CB-OD1 3.42Å; R874-N898 WeakPolarHBondContact CD-OD1 3.49Å; R874-N898 WeakPolarHBondContact CG-OD1 3.45Å; R874-N898 PolarHBondContact NH1-OD1 3.11Å; F887-N898 HydrophobicContact CE1-CB 4.5Å; F887-N898 HydrophobicContact CZ-CB 4Å; Y889-N898 WeakPolarHBondContact CD2-ND2 3.47Å; Y889-N898 WeakPolarHBondContact CE2-ND2 3.32Å; N895-N898 WeakPolarHBondContact O-CB 3.34Å; E896-N898 PolarHBondContact O-N 3.39Å
899	F	91.5	Very high	85.3	Confident	18 Å²	18	51.8 Å²	51.8	8%	0.079	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-101.7	141.5	-176.3	-54.4	-81.9	0	0	0	110.5	H854 W875 N897 T901 C905 D908 C909	H854-F899 AromaticContact CD2-CE1 3.9Å; H854-F899 AromaticContact CD2-CZ 3.47Å; H854-F899 VanDerWaalsContact CD2-CZ 3.47Å; H854-F899 WeakPolarHBondContact CD2-CZ 3.2Å; H854-F899 AromaticContact NE2-CE1 3.56Å; H854-F899 AromaticContact NE2-CZ 3.52Å; W875-F899 HydrophobicContact CB-CB 4.19Å; W875-F899 PolarHBondContact N-O 3.23Å; W875-F899 WeakPolarHBondContact O-CD2 3.29Å; W875-F899 PolarHBondContact O-N 3.18Å; N897-F899 WeakPolarHBondContact OD1-CE2 3.25Å; F899-T901 VanDerWaalsContact C-N 3.34Å; F899-C905 HydrophobicContact CB-CB 3.92Å; F899-C905 HydrophobicContact CD1-CB 4.38Å; F899-C905 HydrophobicContact CD2-CB 3.33Å; F899-C905 HydrophobicContact CE2-CB 3.88Å; F899-C905 HydrophobicContact CG-CB 3.62Å; F899-D908 HydrophobicContact CE1-CB 3.69Å; F899-D908 WeakPolarHBondContact CE1-OD2 3.47Å; F899-D908 HydrophobicContact CZ-CB 3.88Å; F899-C909 VanDerWaalsContact CZ-SG 3.51Å
900	E	85.2	Confident	85.2	Confident	159 Å²	159	51.6 Å²	51.6	74%	0.743	27%	0.274	S	S	*	.	S	Bend	trans	-69.8	-34.2	174.5	-173.8	167.3	-156	0	0	111.9
901	T	82.3	Confident	84.9	Confident	74 Å²	74	47 Å²	47	45%	0.454	26%	0.259	S	S	.	.	S	Bend	trans	-125.4	152.2	-178.4	68.4	0	0	0	0	112.4	F899 Y903 G904 C905	F899-T901 VanDerWaalsContact C-N 3.34Å; T901-Y903 PolarHBondContact O-N 2.96Å; T901-G904 PolarHBondContact O-N 2.03Å; T901-G904 PolarHBondContact OG1-N 2.85Å; T901-G904 VanDerWaalsContact OG1-N 3.09Å; T901-C905 PolarHBondContact O-N 2.95Å
902	Y	76.8	Confident	84.5	Confident	105 Å²	105	52.4 Å²	52.4	41%	0.412	28%	0.284	S	S	.	.	H	α-helix	trans	-55.9	-38.2	170.9	179.5	-110.8	0	0	0	112.1	W875 C884 C905 L906	W875-Y902 HydrophobicContact CD2-CD2 4.17Å; W875-Y902 AromaticContact CE3-CD2 3.52Å; W875-Y902 HydrophobicContact CE3-CD2 3.52Å; W875-Y902 HydrophobicContact CE3-CE2 4.43Å; W875-Y902 HydrophobicContact CE3-CG 4.28Å; W875-Y902 HydrophobicContact CH2-CD2 4.06Å; W875-Y902 HydrophobicContact CH2-CG 4.44Å; W875-Y902 AromaticContact CZ3-CD2 3.45Å; W875-Y902 HydrophobicContact CZ3-CD2 3.45Å; W875-Y902 VanDerWaalsContact CZ3-CD2 3.45Å; W875-Y902 HydrophobicContact CZ3-CE2 4.13Å; W875-Y902 HydrophobicContact CZ3-CG 4.23Å; C884-Y902 HydrophobicContact CB-CD2 3.64Å; C884-Y902 HydrophobicContact CB-CE2 3.55Å; Y902-C905 WeakPolarHBondContact O-CB 3.37Å; Y902-C905 PolarHBondContact O-N 2.88Å; Y902-L906 HydrophobicContact CD1-CD1 3.95Å; Y902-L906 HydrophobicContact CD1-CG 4.35Å; Y902-L906 HydrophobicContact CE1-CD1 3.37Å; Y902-L906 HydrophobicContact CE1-CG 4Å; Y902-L906 HydrophobicContact CE2-CD2 4.5Å; Y902-L906 HydrophobicContact CE2-CG 4.42Å; Y902-L906 PolarHBondContact O-N 2.72Å
903	Y	76.1	Confident	83.6	Confident	120 Å²	120	55.8 Å²	55.8	47%	0.471	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-43.1	178.1	-172.9	-87.8	0	0	0	112.3	T901 C905 L906 S907 M914	T901-Y903 PolarHBondContact O-N 2.96Å; Y903-C905 VanDerWaalsContact C-N 3.3Å; Y903-C905 PolarHBondContact O-N 3.41Å; Y903-L906 PolarHBondContact O-N 3.02Å; Y903-S907 WeakPolarHBondContact O-CB 3.43Å; Y903-S907 PolarHBondContact O-N 2.76Å; Y903-M914 HydrophobicContact CD2-CE 3.6Å; Y903-M914 HydrophobicContact CD2-SD 4.27Å; Y903-M914 HydrophobicContact CE2-CE 3.55Å; Y903-M914 HydrophobicContact CE2-SD 3.6Å
904	G	85.5	Confident	82.8	Confident	20 Å²	20	55.1 Å²	55.1	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-43.2	174.5	0	0	0	0	0	112	T901 S907 D908	T901-G904 PolarHBondContact O-N 2.03Å; T901-G904 PolarHBondContact OG1-N 2.85Å; T901-G904 VanDerWaalsContact OG1-N 3.09Å; G904-S907 PolarHBondContact O-N 2.97Å; G904-D908 PolarHBondContact O-N 2.9Å; G904-D908 VanDerWaalsContact O-N 3.08Å
905	C	87.7	Confident	81.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-43	174.8	-178.8	0	0	0	0	113.1	W875 Y876 F877 C884 F899 T901 Y902 Y903 C909	W875-C905 HydrophobicContact CB-CB 4.27Å; Y876-C905 VanDerWaalsContact C-SG 3.55Å; F877-C905 PolarHBondContact N-SG 3.44Å; F877-C905 VanDerWaalsContact N-SG 3.43Å; C884-C905 HydrophobicContact CB-CB 3.75Å; C884-C905 WeakPolarHBondContact CB-SG 3.48Å; C884-C905 WeakPolarHBondContact SG-CB 3.28Å; C884-C905 CovalentContact SG-SG 2.02Å; C884-C905 PolarHBondContact SG-SG 3.35Å; F899-C905 HydrophobicContact CB-CB 3.92Å; F899-C905 HydrophobicContact CD1-CB 4.38Å; F899-C905 HydrophobicContact CD2-CB 3.33Å; F899-C905 HydrophobicContact CE2-CB 3.88Å; F899-C905 HydrophobicContact CG-CB 3.62Å; T901-C905 PolarHBondContact O-N 2.95Å; Y902-C905 WeakPolarHBondContact O-CB 3.37Å; Y902-C905 PolarHBondContact O-N 2.88Å; Y903-C905 VanDerWaalsContact C-N 3.3Å; Y903-C905 PolarHBondContact O-N 3.41Å; C905-C909 WeakPolarHBondContact O-CB 3.3Å; C905-C909 PolarHBondContact O-N 3.34Å
906	L	83.4	Confident	80.5	Confident	17 Å²	17	59.8 Å²	59.8	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-40.2	176.9	-72.6	-173.1	0	0	0	112.5	C884 Y902 Y903 L910 M914	C884-L906 HydrophobicContact CB-CD2 4.35Å; Y902-L906 HydrophobicContact CD1-CD1 3.95Å; Y902-L906 HydrophobicContact CD1-CG 4.35Å; Y902-L906 HydrophobicContact CE1-CD1 3.37Å; Y902-L906 HydrophobicContact CE1-CG 4Å; Y902-L906 HydrophobicContact CE2-CD2 4.5Å; Y902-L906 HydrophobicContact CE2-CG 4.42Å; Y902-L906 PolarHBondContact O-N 2.72Å; Y903-L906 PolarHBondContact O-N 3.02Å; L906-L910 HydrophobicContact CD2-CB 4.38Å; L906-L910 HydrophobicContact CD2-CD1 3.7Å; L906-L910 CarbonylContact O-C 3.58Å; L906-L910 WeakPolarHBondContact O-CA 3.46Å; L906-L910 PolarHBondContact O-N 3.36Å; L906-M914 HydrophobicContact CB-CE 3.68Å; L906-M914 HydrophobicContact CB-CG 4.04Å; L906-M914 HydrophobicContact CD1-CE 3.49Å; L906-M914 VanDerWaalsContact CD1-CE 3.49Å; L906-M914 HydrophobicContact CG-CE 4.26Å
907	S	82.5	Confident	79.2	Confident	53 Å²	53	57 Å²	57	37%	0.371	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-48.9	177.8	-176.2	0	0	0	0	111.3	Y903 G904 P911	Y903-S907 WeakPolarHBondContact O-CB 3.43Å; Y903-S907 PolarHBondContact O-N 2.76Å; G904-S907 PolarHBondContact O-N 2.97Å; S907-P911 WeakPolarHBondContact O-CB 3.39Å
908	D	87.1	Confident	78	Confident	60 Å²	60	63.2 Å²	63.2	32%	0.321	31%	0.308	S	S	.	.	H	α-helix	trans	-76.9	-37.9	-177.8	-80.6	21.4	0	0	0	112.8	P851 A852 H854 F899 G904	P851-D908 CarbonylContact C-O 3.33Å; P851-D908 WeakPolarHBondContact CA-O 3.35Å; A852-D908 HydrophobicContact CB-CB 4.11Å; A852-D908 PolarHBondContact N-O 2.79Å; H854-D908 IonicContact CE1-OD2 3.06Å; H854-D908 PolarHBondContact CE1-OD2 2.87Å; H854-D908 IonicContact NE2-OD2 3.66Å; H854-D908 PolarHBondContact NE2-OD2 3.4Å; F899-D908 HydrophobicContact CE1-CB 3.69Å; F899-D908 WeakPolarHBondContact CE1-OD2 3.47Å; F899-D908 HydrophobicContact CZ-CB 3.88Å; G904-D908 PolarHBondContact O-N 2.9Å; G904-D908 VanDerWaalsContact O-N 3.08Å
909	C	89.6	Confident	76.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-107	-19.8	-165.9	-55	0	0	0	0	115.7	C855 F877 F899 C905	C855-C909 HydrophobicContact CB-CB 3.58Å; C855-C909 WeakPolarHBondContact CB-SG 3.45Å; C855-C909 WeakPolarHBondContact SG-CA 3.37Å; C855-C909 WeakPolarHBondContact SG-CB 3.31Å; C855-C909 CovalentContact SG-SG 2.02Å; C855-C909 PolarHBondContact SG-SG 2.9Å; F877-C909 HydrophobicContact CB-CB 3.59Å; F877-C909 WeakPolarHBondContact CB-SG 3.35Å; F877-C909 HydrophobicContact CD1-CB 3.79Å; F877-C909 HydrophobicContact CD2-CB 3.56Å; F877-C909 HydrophobicContact CE1-CB 4.31Å; F877-C909 HydrophobicContact CE2-CB 4.13Å; F877-C909 HydrophobicContact CG-CB 3.36Å; F877-C909 HydrophobicContact CZ-CB 4.45Å; F899-C909 VanDerWaalsContact CZ-SG 3.51Å; C905-C909 WeakPolarHBondContact O-CB 3.3Å; C905-C909 PolarHBondContact O-N 3.34Å
910	L	84	Confident	75.1	Confident	21 Å²	21	65 Å²	65	11%	0.11	32%	0.316	C	S	.	.			trans	-131	50.5	175.1	-68	174.3	0	0	0	111.8	F877 L906 L912 E913 M914	F877-L910 HydrophobicContact CD2-CD1 4.49Å; F877-L910 HydrophobicContact CD2-CG 4.3Å; F877-L910 HydrophobicContact CE2-CD1 3.77Å; F877-L910 HydrophobicContact CE2-CD2 3.73Å; F877-L910 HydrophobicContact CE2-CG 3.52Å; F877-L910 HydrophobicContact CZ-CD2 3.85Å; F877-L910 HydrophobicContact CZ-CG 4.13Å; L906-L910 HydrophobicContact CD2-CB 4.38Å; L906-L910 HydrophobicContact CD2-CD1 3.7Å; L906-L910 CarbonylContact O-C 3.58Å; L906-L910 WeakPolarHBondContact O-CA 3.46Å; L906-L910 PolarHBondContact O-N 3.36Å; L910-L912 VanDerWaalsContact C-N 3.31Å; L910-L912 PolarHBondContact O-N 3.39Å; L910-E913 HydrophobicContact CB-CB 4.04Å; L910-E913 WeakPolarHBondContact O-CA 3.29Å; L910-E913 WeakPolarHBondContact O-CB 3.37Å; L910-E913 PolarHBondContact O-N 3.11Å; L910-M914 PolarHBondContact O-N 3.43Å
911	P	74.7	Confident	74	Confident	22 Å²	22	59.8 Å²	59.8	14%	0.143	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-31.6	-170.2	27.6	-37.6	0	0	0	113.6	I849 S907 E913 M914 E915	I849-P911 HydrophobicContact CG2-CB 3.45Å; I849-P911 VanDerWaalsContact CG2-CB 3.45Å; I849-P911 HydrophobicContact CG2-CG 3.7Å; S907-P911 WeakPolarHBondContact O-CB 3.39Å; P911-E913 VanDerWaalsContact C-N 3.31Å; P911-E913 PolarHBondContact O-N 3.36Å; P911-M914 PolarHBondContact O-N 3.4Å; P911-E915 PolarHBondContact O-N 2.88Å
912	L	68.4	Low	73.1	Confident	129 Å²	129	60.7 Å²	60.7	68%	0.675	29%	0.291	S	S	*	.	H	α-helix	trans	-64.1	-32.5	170.7	-99.5	126.9	0	0	0	113.5	L910 K916	L910-L912 VanDerWaalsContact C-N 3.31Å; L910-L912 PolarHBondContact O-N 3.39Å; L912-K916 WeakPolarHBondContact O-CB 3.48Å; L912-K916 PolarHBondContact O-N 3.28Å; L912-K916 VanDerWaalsContact O-N 3.14Å
913	E	65.9	Low	72.1	Confident	103 Å²	103	55.9 Å²	55.9	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-80.2	-34.9	178.2	-163.5	156.5	-163.8	0	0	110.7	L910 P911 K916 L917	L910-E913 HydrophobicContact CB-CB 4.04Å; L910-E913 WeakPolarHBondContact O-CA 3.29Å; L910-E913 WeakPolarHBondContact O-CB 3.37Å; L910-E913 PolarHBondContact O-N 3.11Å; P911-E913 VanDerWaalsContact C-N 3.31Å; P911-E913 PolarHBondContact O-N 3.36Å; E913-K916 PolarHBondContact O-N 3.48Å; E913-L917 WeakPolarHBondContact O-CB 3.4Å; E913-L917 VanDerWaalsContact O-CG 3.29Å; E913-L917 WeakPolarHBondContact O-CG 3.46Å; E913-L917 PolarHBondContact O-N 2.87Å
914	M	68.7	Low	71.4	Confident	24 Å²	24	55.8 Å²	55.8	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-45.4	168.5	-97.2	-67.6	154.2	0	0	112.7	Y903 L906 L910 P911 K916 L917 R918	Y903-M914 HydrophobicContact CD2-CE 3.6Å; Y903-M914 HydrophobicContact CD2-SD 4.27Å; Y903-M914 HydrophobicContact CE2-CE 3.55Å; Y903-M914 HydrophobicContact CE2-SD 3.6Å; L906-M914 HydrophobicContact CB-CE 3.68Å; L906-M914 HydrophobicContact CB-CG 4.04Å; L906-M914 HydrophobicContact CD1-CE 3.49Å; L906-M914 VanDerWaalsContact CD1-CE 3.49Å; L906-M914 HydrophobicContact CG-CE 4.26Å; L910-M914 PolarHBondContact O-N 3.43Å; P911-M914 PolarHBondContact O-N 3.4Å; M914-K916 VanDerWaalsContact C-N 3.35Å; M914-K916 PolarHBondContact O-N 2.8Å; M914-L917 HydrophobicContact CE-CD1 4.29Å; M914-L917 PolarHBondContact O-N 3.37Å; M914-R918 WeakPolarHBondContact O-CG 3.25Å; M914-R918 PolarHBondContact O-N 2.76Å
915	E	67.2	Low	70.4	Confident	67 Å²	67	58.8 Å²	58.8	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-39	176.9	-173.8	53.5	-153	0	0	111.7	P911 L917 R918 Q919	P911-E915 PolarHBondContact O-N 2.88Å; E915-L917 VanDerWaalsContact C-N 3.34Å; E915-L917 PolarHBondContact O-N 3.21Å; E915-R918 WeakPolarHBondContact O-CB 3.41Å; E915-R918 PolarHBondContact O-N 2.7Å; E915-Q919 WeakPolarHBondContact O-CB 3.41Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3Å; E915-Q919 PolarHBondContact O-N 3.31Å; E915-Q919 WeakPolarHBondContact OE1-CG 3.48Å; E915-Q919 PolarHBondContact OE1-NE2 2.91Å
916	K	61	Low	69.1	Low	105 Å²	105	59 Å²	59	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-42.4	171.2	-176.5	179.6	179	-172.6	0	112.1	Y832 L912 E913 M914 Q919 I920	Y832-K916 HydrophobicContact CE1-CG 4.13Å; L912-K916 WeakPolarHBondContact O-CB 3.48Å; L912-K916 PolarHBondContact O-N 3.28Å; L912-K916 VanDerWaalsContact O-N 3.14Å; E913-K916 PolarHBondContact O-N 3.48Å; M914-K916 VanDerWaalsContact C-N 3.35Å; M914-K916 PolarHBondContact O-N 2.8Å; K916-Q919 PolarHBondContact O-N 3.23Å; K916-I920 HydrophobicContact CG-CD1 3.91Å; K916-I920 WeakPolarHBondContact O-CB 3.47Å; K916-I920 WeakPolarHBondContact O-CG1 3.32Å; K916-I920 PolarHBondContact O-N 3.18Å
917	L	62.4	Low	67.9	Low	74 Å²	74	58.6 Å²	58.6	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-43.5	176.2	-75.4	166.7	0	0	0	111.8	E913 M914 E915 Q919 I920 N921	E913-L917 WeakPolarHBondContact O-CB 3.4Å; E913-L917 VanDerWaalsContact O-CG 3.29Å; E913-L917 WeakPolarHBondContact O-CG 3.46Å; E913-L917 PolarHBondContact O-N 2.87Å; M914-L917 HydrophobicContact CE-CD1 4.29Å; M914-L917 PolarHBondContact O-N 3.37Å; E915-L917 VanDerWaalsContact C-N 3.34Å; E915-L917 PolarHBondContact O-N 3.21Å; L917-Q919 VanDerWaalsContact C-N 3.33Å; L917-Q919 PolarHBondContact O-N 2.96Å; L917-I920 PolarHBondContact O-N 2.88Å; L917-N921 WeakPolarHBondContact O-CB 3.34Å; L917-N921 VanDerWaalsContact O-CG 3.3Å; L917-N921 PolarHBondContact O-N 3.25Å
918	R	67.1	Low	66.8	Low	130 Å²	130	61.9 Å²	61.9	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-56.4	-46	173.4	-78.2	176.7	158.6	-175.5	-8.6	111.8	M914 E915 N921 K922	M914-R918 WeakPolarHBondContact O-CG 3.25Å; M914-R918 PolarHBondContact O-N 2.76Å; E915-R918 WeakPolarHBondContact O-CB 3.41Å; E915-R918 PolarHBondContact O-N 2.7Å; R918-N921 PolarHBondContact O-N 2.03Å; R918-K922 PolarHBondContact O-N 3.3Å
919	Q	61.4	Low	65.4	Low	49 Å²	49	66.1 Å²	66.1	23%	0.229	30%	0.304	C	S	.	.	H	α-helix	trans	-72.5	-35.6	-178.6	-67.6	171.7	-3.4	0	0	112.8	Y832 E915 K916 L917 K922 A923	Y832-Q919 HydrophobicContact CE2-CB 4.5Å; Y832-Q919 PolarHBondContact OH-OE1 3.49Å; Y832-Q919 VanDerWaalsContact OH-OE1 3.11Å; E915-Q919 WeakPolarHBondContact O-CB 3.41Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3Å; E915-Q919 PolarHBondContact O-N 3.31Å; E915-Q919 WeakPolarHBondContact OE1-CG 3.48Å; E915-Q919 PolarHBondContact OE1-NE2 2.91Å; K916-Q919 PolarHBondContact O-N 3.23Å; L917-Q919 VanDerWaalsContact C-N 3.33Å; L917-Q919 PolarHBondContact O-N 2.96Å; Q919-K922 PolarHBondContact O-N 2.98Å; Q919-A923 PolarHBondContact O-N 3.03Å
920	I	59.6	Low	63.4	Low	34 Å²	34	71.7 Å²	71.7	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-43.4	169.4	-71	167.1	0	0	0	110.8	L829 K916 L917 A923 R924	L829-I920 HydrophobicContact CD2-CG1 3.82Å; L829-I920 HydrophobicContact CD2-CG2 4.33Å; K916-I920 HydrophobicContact CG-CD1 3.91Å; K916-I920 WeakPolarHBondContact O-CB 3.47Å; K916-I920 WeakPolarHBondContact O-CG1 3.32Å; K916-I920 PolarHBondContact O-N 3.18Å; L917-I920 PolarHBondContact O-N 2.88Å; I920-A923 WeakPolarHBondContact O-CB 3.18Å; I920-A923 PolarHBondContact O-N 3.32Å; I920-R924 WeakPolarHBondContact O-CG 3.46Å; I920-R924 PolarHBondContact O-N 3.42Å
921	N	62.6	Low	61.2	Low	48 Å²	48	80.1 Å²	80.1	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-38.8	177.1	-73.4	-16	0	0	0	111.7	L917 R918 A923 R924 M925	L917-N921 WeakPolarHBondContact O-CB 3.34Å; L917-N921 VanDerWaalsContact O-CG 3.3Å; L917-N921 PolarHBondContact O-N 3.25Å; R918-N921 PolarHBondContact O-N 2.03Å; N921-A923 PolarHBondContact O-N 2.97Å; N921-R924 PolarHBondContact O-N 2.87Å; N921-M925 WeakPolarHBondContact O-CG 3.39Å; N921-M925 PolarHBondContact O-N 3.05Å
922	K	64	Low	59.6	Low	94 Å²	94	83.9 Å²	83.9	41%	0.409	38%	0.383	S	S	.	.	H	α-helix	trans	-59.1	-46	171.6	-169.1	176.6	-176	-176.3	0	111.7	V783 E784 R918 Q919 R924 M925 A926	V783-K922 HydrophobicContact CG1-CB 4.4Å; V783-K922 HydrophobicContact CG1-CD 4.02Å; V783-K922 HydrophobicContact CG1-CG 4.04Å; E784-K922 WeakPolarHBondContact OE1-CE 3.43Å; E784-K922 IonicContact OE1-NZ 3.57Å; E784-K922 PolarHBondContact OE1-NZ 3.24Å; E784-K922 VanDerWaalsContact OE2-CE 3.22Å; E784-K922 WeakPolarHBondContact OE2-CE 3.43Å; E784-K922 IonicContact OE2-NZ 3.69Å; E784-K922 PolarHBondContact OE2-NZ 2.71Å; R918-K922 PolarHBondContact O-N 3.3Å; Q919-K922 PolarHBondContact O-N 2.98Å; K922-R924 PolarHBondContact O-N 3.03Å; K922-M925 PolarHBondContact O-N 3.09Å; K922-A926 WeakPolarHBondContact O-CB 3.43Å; K922-A926 PolarHBondContact O-N 3.43Å
923	A	56.3	Low	58.2	Low	3 Å²	3	84.5 Å²	84.5	3%	0.025	39%	0.387	C	S	.	.	H	α-helix	trans	-61.1	-39.6	175.6	0	0	0	0	0	113.2	V783 A828 Q919 I920 N921 A926 S927	V783-A923 HydrophobicContact CG2-CB 4.4Å; A828-A923 HydrophobicContact CB-CB 3.72Å; Q919-A923 PolarHBondContact O-N 3.03Å; I920-A923 WeakPolarHBondContact O-CB 3.18Å; I920-A923 PolarHBondContact O-N 3.32Å; N921-A923 PolarHBondContact O-N 2.97Å; A923-A926 PolarHBondContact O-N 2.79Å; A923-S927 PolarHBondContact O-N 2.84Å; A923-S927 VanDerWaalsContact O-N 3.11Å
924	R	60.5	Low	56.7	Low	119 Å²	119	87 Å²	87	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-43	174	-77.4	175.8	167.5	175.9	-5.4	113.1	E825 I920 N921 K922 A926 S927 M928	E825-R924 HydrophobicContact CG-CG 4.36Å; E825-R924 WeakPolarHBondContact OE1-CG 3.46Å; E825-R924 IonicContact OE1-CZ 2.81Å; E825-R924 IonicContact OE1-NE 2.75Å; E825-R924 PolarHBondContact OE1-NE 3.4Å; E825-R924 IonicContact OE1-NH2 3.57Å; I920-R924 WeakPolarHBondContact O-CG 3.46Å; I920-R924 PolarHBondContact O-N 3.42Å; N921-R924 PolarHBondContact O-N 2.87Å; K922-R924 PolarHBondContact O-N 3.03Å; R924-A926 VanDerWaalsContact C-N 3.31Å; R924-S927 PolarHBondContact O-N 3.27Å; R924-S927 PolarHBondContact O-OG 2.93Å; R924-S927 VanDerWaalsContact O-OG 3.09Å; R924-M928 PolarHBondContact O-N 3.26Å
925	M	64.5	Low	55	Low	83 Å²	83	91.9 Å²	91.9	41%	0.409	43%	0.434	S	S	.	.	H	α-helix	trans	-66.3	-36.2	176.1	-71.3	-171.2	-177.9	0	0	111.6	N921 K922 M928 I975	N921-M925 WeakPolarHBondContact O-CG 3.39Å; N921-M925 PolarHBondContact O-N 3.05Å; K922-M925 PolarHBondContact O-N 3.09Å; M925-M928 PolarHBondContact O-N 3.29Å; M925-I975 HydrophobicContact CE-CD1 4.03Å
926	A	59.9	Low	53.3	Low	3 Å²	3	93.1 Å²	93.1	3%	0.025	45%	0.45	C	S	.	.	H	α-helix	trans	-60.7	-50.3	174.5	0	0	0	0	0	111.5	V783 H785 K922 A923 R924 M928 R929	V783-A926 VanDerWaalsContact O-CB 3.26Å; V783-A926 WeakPolarHBondContact O-CB 3.4Å; H785-A926 VanDerWaalsContact CD2-C 3.48Å; H785-A926 PolarHBondContact CD2-O 3.08Å; H785-A926 VanDerWaalsContact CD2-O 3.24Å; K922-A926 WeakPolarHBondContact O-CB 3.43Å; K922-A926 PolarHBondContact O-N 3.43Å; A923-A926 PolarHBondContact O-N 2.79Å; R924-A926 VanDerWaalsContact C-N 3.31Å; A926-M928 PolarHBondContact O-N 3.29Å; A926-M928 VanDerWaalsContact O-N 3.15Å; A926-R929 WeakPolarHBondContact O-CB 3.49Å; A926-R929 PolarHBondContact O-N 2.72Å; A926-R929 VanDerWaalsContact O-N 3.17Å
927	S	58	Low	51.7	Low	10 Å²	10	95.4 Å²	95.4	7%	0.07	47%	0.465	C	S	.	.	H	α-helix	trans	-65.1	-19.2	-178	75	0	0	0	0	114.4	A923 R924	A923-S927 PolarHBondContact O-N 2.84Å; A923-S927 VanDerWaalsContact O-N 3.11Å; R924-S927 PolarHBondContact O-N 3.27Å; R924-S927 PolarHBondContact O-OG 2.93Å; R924-S927 VanDerWaalsContact O-OG 3.09Å
928	M	59.1	Low	50.3	Low	121 Å²	121	100.1 Å²	100.1	60%	0.596	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.4	177.2	-72.9	-163.9	-73	0	0	115.4	R924 M925 A926 K930	R924-M928 PolarHBondContact O-N 3.26Å; M925-M928 PolarHBondContact O-N 3.29Å; A926-M928 PolarHBondContact O-N 3.29Å; A926-M928 VanDerWaalsContact O-N 3.15Å; M928-K930 PolarHBondContact O-N 2.93Å
929	R	58.3	Low	48.7	Very low	150 Å²	150	101.6 Å²	101.6	57%	0.566	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-61.4	-3.5	-173.7	-78.5	-178.4	174.6	165.9	-0.6	116.4	A926 Y931	A926-R929 WeakPolarHBondContact O-CB 3.49Å; A926-R929 PolarHBondContact O-N 2.72Å; A926-R929 VanDerWaalsContact O-N 3.17Å; R929-Y931 VanDerWaalsContact C-N 3.32Å; R929-Y931 PolarHBondContact O-N 3.11Å
930	K	48.3	Very low	47.4	Very low	117 Å²	117	105.6 Å²	105.6	51%	0.509	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-84.3	14.2	-178.9	-132.3	173.7	-164.5	175.7	0	116.2	E817 M928	E817-K930 WeakPolarHBondContact OE2-CE 3.22Å; E817-K930 IonicContact OE2-NZ 2.63Å; E817-K930 PolarHBondContact OE2-NZ 2.76Å; M928-K930 PolarHBondContact O-N 2.93Å
931	Y	37.3	Very low	46.1	Very low	198 Å²	198	111.3 Å²	111.3	78%	0.776	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-124.5	-8.2	176.3	-86.5	-77.9	0	0	0	116.6	R929	R929-Y931 VanDerWaalsContact C-N 3.32Å; R929-Y931 PolarHBondContact O-N 3.11Å
932	T	41.1	Very low	44.8	Very low	101 Å²	101	113.3 Å²	113.3	62%	0.62	58%	0.576	S	S	*	*	S	Bend	trans	-95.9	-12.4	-174.6	50.9	0	0	0	0	115.4
933	N	38.7	Very low	43.6	Very low	142 Å²	142	113.7 Å²	113.7	76%	0.759	59%	0.59	S	S	*	*	S	Bend	trans	-101.1	1.6	-176.3	-70.7	-0.1	0	0	0	114.6
934	N	34.5	Very low	42.6	Very low	154 Å²	154	120.4 Å²	120.4	82%	0.824	63%	0.626	S	S	*	*	S	Bend	trans	-100	2.5	172.8	-88.1	-2.3	0	0	0	113.9	S936	N934-S936 PolarHBondContact O-N 2.96Å; N934-S936 VanDerWaalsContact O-N 3.13Å
935	T	32.9	Very low	41.4	Very low	127 Å²	127	120.9 Å²	120.9	78%	0.779	64%	0.637	S	S	*	*			trans	-87.4	52.9	170.7	-37.9	0	0	0	0	110.8
936	S	31.2	Very low	40.1	Very low	93 Å²	93	125.2 Å²	125.2	65%	0.65	66%	0.656	S	S	*	*			trans	-79.2	119.4	168.7	57.7	0	0	0	0	109.7	N934	N934-S936 PolarHBondContact O-N 2.96Å; N934-S936 VanDerWaalsContact O-N 3.13Å
937	M	28.1	Very low	38.9	Very low	154 Å²	154	131.3 Å²	131.3	76%	0.759	69%	0.693	S	S	*	*			trans	51.6	90.4	159.6	-50.6	-157.7	-165	0	0	118
938	I	33.3	Very low	37.5	Very low	172 Å²	172	136.7 Å²	136.7	88%	0.882	73%	0.725	S	S	*	*			trans	-106.3	91.2	132.3	-59.4	-178.4	0	0	0	107.6
939	K	32.5	Very low	36.2	Very low	161 Å²	161	139 Å²	139	70%	0.7	74%	0.739	S	S	*	*			trans	-72.2	126.6	153.4	-70.8	178.4	176	177.3	0	106.7
940	N	35.1	Very low	34.7	Very low	134 Å²	134	136.2 Å²	136.2	72%	0.717	74%	0.742	S	S	*	*				164.2	116.7	125.8	-79.4	-18.7	0	0	0	112.7
941	N	32.7	Very low	34	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	76%	0.758	S	S	*	*			trans	44.9	100.6	132.2	-53.7	-10.2	0	0	0	120.6
942	A	35.2	Very low	33.8	Very low	91 Å²	91	135.2 Å²	135.2	75%	0.752	76%	0.759	S	S	*	*			trans	-176.3	92.6	130	0	0	0	0	0	109.3
943	S	37.3	Very low	33.2	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	77%	0.773	S	S	*	*				55.5	82.7	96	69.4	0	0	0	0	115.9
944	N	35.4	Very low	32.9	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	77%	0.772	S	S	*	*				174.8	133.3	100.6	-85.9	-16.4	0	0	0	115.1
945	N	37	Very low	32.7	Very low	129 Å²	129	140 Å²	140	69%	0.69	78%	0.775	S	S	*	*			trans	73.1	112.6	142.6	-67.5	-0.4	0	0	0	123.2
946	H	36.8	Very low	32.5	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.806	78%	0.779	S	S	*	*			trans	66.8	125.9	147.4	-68	-68.6	0	0	0	118.8
947	T	34.6	Very low	32.6	Very low	131 Å²	131	144.5 Å²	144.5	80%	0.804	79%	0.787	S	S	*	*			cis	-139.4	143.4	4.3	30.7	0	0	0	0	111.4
948	V	28	Very low	32.8	Very low	123 Å²	123	145.3 Å²	145.3	75%	0.745	79%	0.786	S	S	*	*			trans	-110.9	136	178.7	174	0	0	0	0	110.1
949	I	32.6	Very low	32.6	Very low	171 Å²	171	144.5 Å²	144.5	88%	0.877	78%	0.784	S	S	*	*			trans	-124.1	117.8	151.4	-62.9	-178	0	0	0	107.7
950	S	26.5	Very low	32.7	Very low	91 Å²	91	144 Å²	144	64%	0.636	79%	0.789	S	S	*	*			trans	-113.3	129.7	-176	52.3	0	0	0	0	110.2
951	I	32.2	Very low	32.6	Very low	166 Å²	166	143.4 Å²	143.4	85%	0.851	79%	0.79	S	S	*	*			trans	-133.1	133	158.7	-58.3	-176.1	0	0	0	109.4
952	T	33.4	Very low	32.5	Very low	128 Å²	128	142.8 Å²	142.8	79%	0.785	79%	0.787	S	S	*	*			trans	-92.8	158.8	-169.8	41.1	0	0	0	0	113.5
953	K	29.2	Very low	32.5	Very low	211 Å²	211	144 Å²	144	92%	0.917	79%	0.789	S	S	*	*			trans	-69	138.7	171.8	-79.4	179	169.1	-179.8	0	113.4
954	S	31.8	Very low	32.5	Very low	107 Å²	107	143.4 Å²	143.4	75%	0.748	78%	0.778	S	S	*	*			trans	-145.3	119	143	49.6	0	0	0	0	105.3
955	M	30.6	Very low	32.4	Very low	179 Å²	179	138.3 Å²	138.3	88%	0.882	76%	0.759	S	S	*	*				47.3	70.5	70.9	-66.2	-170.7	114.1	0	0	112
956	D	29.9	Very low	32.6	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	76%	0.76	S	S	*	*				-172	169.3	113.6	-98.5	-29.6	0	0	0	111.8
957	D	32.3	Very low	32.9	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	75%	0.751	S	S	*	*			trans	79.3	148.3	167.7	-108.6	-30.9	0	0	0	122.4
958	K	32	Very low	33.3	Very low	171 Å²	171	133.7 Å²	133.7	74%	0.743	74%	0.735	S	S	*	*			trans	-85.8	158.7	-171.6	-62.3	141	176.6	163.3	0	111.6
959	N	30.4	Very low	34	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	72%	0.723	S	S	*	*			trans	87.1	99	171.1	-43	-41.5	0	0	0	115.9
960	D	33	Very low	34.4	Very low	150 Å²	150	130.1 Å²	130.1	80%	0.802	71%	0.709	S	S	*	*			trans	180	129.5	151.7	-96.1	-19.4	0	0	0	105.3
961	V	32.8	Very low	35.4	Very low	123 Å²	123	132 Å²	132	75%	0.745	71%	0.706	S	S	*	*			cis	62.2	106.7	35.2	-166	0	0	0	0	112.5
962	D	31.3	Very low	35.8	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	68%	0.681	S	S	*	*			trans	28.6	97.2	170.1	-86.6	-31.1	0	0	0	118.4
963	S	35.2	Very low	36.2	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	67%	0.672	S	S	*	*			trans	-160.3	95.7	147.7	-85.4	0	0	0	0	111.7	G965	S963-G965 PolarHBondContact O-N 3.32Å
964	L	36.6	Very low	36.8	Very low	90 Å²	90	123 Å²	123	47%	0.471	66%	0.664	S	S	.	*			trans	-60.6	131.2	154.3	-99.6	78.1	0	0	0	107.5	E968 L972	L964-E968 HydrophobicContact CB-CB 4.39Å; L964-E968 HydrophobicContact CD2-CB 4.34Å; L964-E968 HydrophobicContact CD2-CG 3.92Å; L964-E968 HydrophobicContact CG-CG 4.35Å; L964-L972 HydrophobicContact CD2-CD1 3.81Å
965	G	34.1	Very low	37.4	Very low	36 Å²	36	122.8 Å²	122.8	37%	0.371	65%	0.653	S	S	.	*			trans	-63.5	156.9	-172.5	0	0	0	0	0	112.7	S963 I967 E968 L969	S963-G965 PolarHBondContact O-N 3.32Å; G965-I967 PolarHBondContact O-N 2.77Å; G965-E968 WeakPolarHBondContact O-CA 3.3Å; G965-E968 VanDerWaalsContact O-CB 3.31Å; G965-E968 WeakPolarHBondContact O-CB 3.25Å; G965-E968 PolarHBondContact O-N 3.1Å; G965-L969 PolarHBondContact O-N 2.89Å
966	V	42.4	Very low	38.1	Very low	117 Å²	117	117.1 Å²	117.1	71%	0.709	63%	0.631	S	S	*	*	H	α-helix	trans	-51.9	-35	179.4	-179.6	0	0	0	0	112.6	E968 Q970	V966-E968 VanDerWaalsContact C-N 3.31Å; V966-E968 PolarHBondContact O-N 2.76Å; V966-Q970 PolarHBondContact O-N 3.23Å
967	I	42.3	Very low	38.7	Very low	122 Å²	122	111 Å²	111	63%	0.626	61%	0.606	S	S	*	*	H	α-helix	trans	-71	-25.5	177.3	-59.2	169.8	0	0	0	112.4	G965 K971	G965-I967 PolarHBondContact O-N 2.77Å; I967-K971 WeakPolarHBondContact O-CG 3Å; I967-K971 PolarHBondContact O-N 2.73Å
968	E	43.3	Very low	39.4	Very low	98 Å²	98	106.9 Å²	106.9	46%	0.458	59%	0.588	S	S	.	*	H	α-helix	trans	-86.5	-35.1	-179.8	-147.3	166.2	-166.8	0	0	111	L964 G965 V966 K971 L972	L964-E968 HydrophobicContact CB-CB 4.39Å; L964-E968 HydrophobicContact CD2-CB 4.34Å; L964-E968 HydrophobicContact CD2-CG 3.92Å; L964-E968 HydrophobicContact CG-CG 4.35Å; G965-E968 WeakPolarHBondContact O-CA 3.3Å; G965-E968 VanDerWaalsContact O-CB 3.31Å; G965-E968 WeakPolarHBondContact O-CB 3.25Å; G965-E968 PolarHBondContact O-N 3.1Å; V966-E968 VanDerWaalsContact C-N 3.31Å; V966-E968 PolarHBondContact O-N 2.76Å; E968-K971 PolarHBondContact O-N 2.86Å; E968-L972 WeakPolarHBondContact O-CD1 3.36Å; E968-L972 WeakPolarHBondContact O-CG 3.4Å; E968-L972 PolarHBondContact O-N 3.06Å
969	L	41.9	Very low	40.3	Very low	94 Å²	94	104.6 Å²	104.6	49%	0.492	58%	0.578	S	S	.	*	H	α-helix	trans	-60.9	-47.8	165.8	-81.7	157.5	0	0	0	111.8	G965 K971 L972 D973	G965-L969 PolarHBondContact O-N 2.89Å; L969-K971 VanDerWaalsContact C-N 3.26Å; L969-K971 PolarHBondContact O-N 3Å; L969-L972 CarbonylContact O-C 3.57Å; L969-L972 WeakPolarHBondContact O-CA 3.39Å; L969-L972 WeakPolarHBondContact O-CB 3.23Å; L969-L972 PolarHBondContact O-N 3.03Å; L969-D973 PolarHBondContact O-N 3.01Å
970	Q	42.2	Very low	41.6	Very low	125 Å²	125	98.9 Å²	98.9	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-61.3	-34.3	177.8	-122.4	168.6	-8.9	0	0	112.8	V966 L972 D973 D974	V966-Q970 PolarHBondContact O-N 3.23Å; Q970-L972 VanDerWaalsContact C-N 3.34Å; Q970-D973 PolarHBondContact O-N 3Å; Q970-D974 PolarHBondContact O-N 3.2Å; Q970-D974 VanDerWaalsContact O-N 3.09Å
971	K	47.6	Very low	43.4	Very low	132 Å²	132	94.7 Å²	94.7	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-77.8	-15.8	173.4	-73.9	177.6	178.9	-178.3	0	114.2	I967 E968 L969 I975	I967-K971 WeakPolarHBondContact O-CG 3Å; I967-K971 PolarHBondContact O-N 2.73Å; E968-K971 PolarHBondContact O-N 2.86Å; L969-K971 VanDerWaalsContact C-N 3.26Å; L969-K971 PolarHBondContact O-N 3Å; K971-I975 WeakPolarHBondContact O-CD1 3.04Å; K971-I975 WeakPolarHBondContact O-CG1 3.14Å
972	L	40.4	Very low	44.9	Very low	63 Å²	63	89.8 Å²	89.8	33%	0.33	50%	0.495	S	S	.	.	H	α-helix	trans	-82.2	-33	168.7	-79.8	159.3	0	0	0	111	L964 E968 L969 Q970 I975 S976	L964-L972 HydrophobicContact CD2-CD1 3.81Å; E968-L972 WeakPolarHBondContact O-CD1 3.36Å; E968-L972 WeakPolarHBondContact O-CG 3.4Å; E968-L972 PolarHBondContact O-N 3.06Å; L969-L972 CarbonylContact O-C 3.57Å; L969-L972 WeakPolarHBondContact O-CA 3.39Å; L969-L972 WeakPolarHBondContact O-CB 3.23Å; L969-L972 PolarHBondContact O-N 3.03Å; Q970-L972 VanDerWaalsContact C-N 3.34Å; L972-I975 WeakPolarHBondContact O-CB 3.09Å; L972-I975 PolarHBondContact O-N 3.44Å; L972-S976 PolarHBondContact O-N 2.99Å
973	D	40.5	Very low	47.1	Very low	112 Å²	112	86.4 Å²	86.4	60%	0.599	48%	0.476	S	S	*	.	H	α-helix	trans	-67.2	-40.3	171.5	-71.7	-30.5	0	0	0	111.7	L969 Q970 I975 S976	L969-D973 PolarHBondContact O-N 3.01Å; Q970-D973 PolarHBondContact O-N 3Å; D973-I975 PolarHBondContact O-N 2.88Å; D973-I975 VanDerWaalsContact O-N 3.13Å; D973-S976 VanDerWaalsContact O-CB 3.29Å; D973-S976 WeakPolarHBondContact O-CB 3.42Å; D973-S976 PolarHBondContact O-N 2.95Å
974	D	42.9	Very low	48.7	Very low	139 Å²	139	83.2 Å²	83.2	74%	0.743	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-5.9	171.5	-74.6	-23.8	0	0	0	114	Q970	Q970-D974 PolarHBondContact O-N 3.2Å; Q970-D974 VanDerWaalsContact O-N 3.09Å
975	I	44.3	Very low	50.1	Low	103 Å²	103	81.2 Å²	81.2	53%	0.528	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-11.2	173.6	-69.5	167.5	0	0	0	111.5	M925 K971 L972 D973	M925-I975 HydrophobicContact CE-CD1 4.03Å; K971-I975 WeakPolarHBondContact O-CD1 3.04Å; K971-I975 WeakPolarHBondContact O-CG1 3.14Å; L972-I975 WeakPolarHBondContact O-CB 3.09Å; L972-I975 PolarHBondContact O-N 3.44Å; D973-I975 PolarHBondContact O-N 2.88Å; D973-I975 VanDerWaalsContact O-N 3.13Å
976	S	45.1	Very low	52.2	Low	60 Å²	60	85.6 Å²	85.6	42%	0.42	46%	0.461	S	S	.	.	S	Bend	trans	-65.2	141.3	154.7	-76.8	0	0	0	0	108.9	L972 D973 H1016	L972-S976 PolarHBondContact O-N 2.99Å; D973-S976 VanDerWaalsContact O-CB 3.29Å; D973-S976 WeakPolarHBondContact O-CB 3.42Å; D973-S976 PolarHBondContact O-N 2.95Å; S976-H1016 VanDerWaalsContact CB-CD2 3.47Å; S976-H1016 WeakPolarHBondContact CB-CD2 3.41Å
977	G	41.9	Very low	53.7	Low	33 Å²	33	83.1 Å²	83.1	34%	0.34	44%	0.438	S	S	.	.			trans	-63.7	178.9	178.2	0	0	0	0	0	112.6	H1016	G977-H1016 VanDerWaalsContact C-ND1 3.28Å; G977-H1016 VanDerWaalsContact CA-CE1 3.46Å; G977-H1016 WeakPolarHBondContact CA-CE1 3.44Å; G977-H1016 PolarHBondContact N-CD2 3.33Å; G977-H1016 PolarHBondContact N-CE1 3.49Å; G977-H1016 PolarHBondContact N-NE2 3.01Å; G977-H1016 WeakPolarHBondContact O-CB 3.25Å; G977-H1016 PolarHBondContact O-ND1 3.08Å
978	P	46.9	Very low	54.8	Low	67 Å²	67	79.3 Å²	79.3	44%	0.435	42%	0.423	S	S	.	.	S	Bend	trans	-57.8	149	177.7	24.2	-33.4	0	0	0	111.8	D504 Q980 H1016	D504-P978 HydrophobicContact CB-CG 3.51Å; D504-P978 VanDerWaalsContact CG-CG 3.44Å; P978-Q980 PolarHBondContact O-N 2.99Å; P978-H1016 PolarHBondContact O-ND1 3.36Å
979	K	51.7	Low	56.1	Low	123 Å²	123	77.7 Å²	77.7	54%	0.535	43%	0.433	S	S	.	.			trans	-52.2	112.4	174	177.6	174.5	170.8	162	0	110.2	D981 G1017	K979-D981 WeakPolarHBondContact CE-OD1 3.43Å; K979-G1017 WeakPolarHBondContact CE-O 3.45Å; K979-G1017 PolarHBondContact NZ-O 2.93Å
980	Q	58.3	Low	57.9	Low	35 Å²	35	76.3 Å²	76.3	16%	0.164	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-108.4	103.5	178.3	170.2	66.5	87.1	0	0	107.8	P978 S1014 M1015 G1018	P978-Q980 PolarHBondContact O-N 2.99Å; Q980-S1014 CarbonylContact O-C 3.53Å; Q980-S1014 VanDerWaalsContact O-CA 3.24Å; Q980-S1014 WeakPolarHBondContact O-CA 3.37Å; Q980-M1015 HydrophobicContact CB-CB 4.14Å; Q980-M1015 PolarHBondContact N-O 3.34Å; Q980-M1015 PolarHBondContact O-N 2.75Å; Q980-G1018 WeakPolarHBondContact O-CA 3.35Å
981	D	69.8	Low	59.2	Low	62 Å²	62	72 Å²	72	33%	0.332	40%	0.404	S	S	.	.			trans	-65.7	152.7	170.5	-75.5	1.1	0	0	0	110.8	K979 I983 G1018 N1019	K979-D981 WeakPolarHBondContact CE-OD1 3.43Å; D981-I983 PolarHBondContact O-N 3.03Å; D981-G1018 WeakPolarHBondContact OD1-CA 3.39Å; D981-N1019 HydrophobicContact CB-CB 4.22Å; D981-N1019 PolarHBondContact OD1-N 3.25Å; D981-N1019 PolarHBondContact OD1-ND2 3.39Å; D981-N1019 PolarHBondContact OD2-ND2 2.04Å
982	C	65.3	Low	60.6	Low	20 Å²	20	70.3 Å²	70.3	14%	0.135	41%	0.407	C	S	.	.			trans	-66.9	129	177.7	179.2	0	0	0	0	112.3	K1012 N1019 C1021	C982-K1012 CarbonylContact C-O 3.34Å; C982-K1012 VanDerWaalsContact CA-O 3.31Å; C982-K1012 WeakPolarHBondContact CA-O 3.16Å; C982-K1012 PolarHBondContact SG-O 2.81Å; C982-K1012 VanDerWaalsContact SG-O 3.4Å; C982-N1019 WeakPolarHBondContact CB-O 3.38Å; C982-N1019 PolarHBondContact N-O 2.86Å; C982-C1021 HydrophobicContact CB-CB 3.86Å; C982-C1021 WeakPolarHBondContact CB-SG 3.45Å; C982-C1021 WeakPolarHBondContact SG-CA 3.2Å; C982-C1021 WeakPolarHBondContact SG-CB 3.05Å; C982-C1021 CovalentContact SG-SG 2.03Å; C982-C1021 PolarHBondContact SG-SG 2.8Å
983	I	76.4	Confident	62.7	Low	69 Å²	69	68.6 Å²	68.6	35%	0.354	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131	171.6	-52.3	-174.1	0	0	0	108.1	D981 E1011 K1012	D981-I983 PolarHBondContact O-N 3.03Å; I983-E1011 HydrophobicContact CG2-CB 4.29Å; I983-E1011 PolarHBondContact O-N 2.97Å; I983-K1012 HydrophobicContact CB-CB 4.09Å; I983-K1012 HydrophobicContact CB-CG 4.43Å; I983-K1012 HydrophobicContact CD1-CB 4.5Å; I983-K1012 HydrophobicContact CD1-CD 3.97Å; I983-K1012 HydrophobicContact CD1-CG 4.34Å; I983-K1012 HydrophobicContact CG1-CB 4.23Å; I983-K1012 PolarHBondContact N-O 3.3Å; I983-K1012 PolarHBondContact O-N 3.24Å
984	M	68.4	Low	64.6	Low	48 Å²	48	67 Å²	67	24%	0.236	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.7	178.2	-63.2	169.6	-75.2	0	0	110.3	R1008 Y1009 C1021 G1022 L1024	M984-R1008 VanDerWaalsContact SD-CZ 3.51Å; M984-Y1009 CarbonylContact C-O 3.53Å; M984-Y1009 WeakPolarHBondContact CA-O 3.35Å; M984-Y1009 WeakPolarHBondContact CB-O 3.46Å; M984-C1021 HydrophobicContact CG-CB 4.45Å; M984-C1021 HydrophobicContact SD-CB 4.13Å; M984-G1022 VanDerWaalsContact SD-O 3.38Å; M984-L1024 HydrophobicContact CG-CD2 4.14Å; M984-L1024 HydrophobicContact SD-CD2 3.92Å
985	T	66.5	Low	66.4	Low	48 Å²	48	61.6 Å²	61.6	29%	0.294	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-61.1	163.1	172.3	70.2	0	0	0	0	111.2	Y1009	T985-Y1009 PolarHBondContact N-O 3.42Å; T985-Y1009 PolarHBondContact OG1-N 3.3Å
986	T	78.8	Confident	67.9	Low	128 Å²	128	60.2 Å²	60.2	79%	0.785	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-55.6	151.2	161.7	51	0	0	0	0	110.8
987	W	74.3	Confident	69.3	Low	64 Å²	64	58.3 Å²	58.3	24%	0.242	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.7	144.5	172.1	-74.4	108.3	0	0	0	111.8	R1006 W1007 R1008 S1023 L1024 E1026	W987-R1006 HydrophobicContact CD2-CG 4.24Å; W987-R1006 HydrophobicContact CE3-CB 4.34Å; W987-R1006 HydrophobicContact CE3-CG 3.63Å; W987-R1006 HydrophobicContact CZ3-CG 4.02Å; W987-W1007 VanDerWaalsContact CE3-C 3.45Å; W987-R1008 HydrophobicContact CD2-CB 4.24Å; W987-R1008 HydrophobicContact CD2-CG 4.05Å; W987-R1008 HydrophobicContact CE3-CB 3.97Å; W987-R1008 HydrophobicContact CE3-CG 3.84Å; W987-R1008 HydrophobicContact CH2-CG 4.05Å; W987-R1008 HydrophobicContact CZ2-CG 4.27Å; W987-R1008 VanDerWaalsContact CZ2-NE 3.26Å; W987-R1008 HydrophobicContact CZ3-CB 4.38Å; W987-R1008 HydrophobicContact CZ3-CG 3.84Å; W987-S1023 VanDerWaalsContact CH2-O 3.22Å; W987-S1023 WeakPolarHBondContact CH2-O 3.19Å; W987-L1024 WeakPolarHBondContact CZ3-O 3.18Å; W987-E1026 HydrophobicContact CH2-CB 3.57Å; W987-E1026 HydrophobicContact CZ2-CB 4.08Å; W987-E1026 WeakPolarHBondContact CZ2-OE2 3.3Å; W987-E1026 HydrophobicContact CZ3-CB 3.86Å
988	S	64.3	Low	71	Confident	42 Å²	42	59.9 Å²	59.9	29%	0.294	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-63.6	166.2	165.5	74.1	0	0	0	0	111.6	W1007	S988-W1007 WeakPolarHBondContact CB-O 3.25Å; S988-W1007 PolarHBondContact N-O 2.97Å; S988-W1007 VanDerWaalsContact OG-CD1 3.25Å; S988-W1007 PolarHBondContact OG-N 3Å; S988-W1007 PolarHBondContact OG-O 2.99Å
989	G	70.7	Confident	72.7	Confident	65 Å²	65	63.6 Å²	63.6	67%	0.67	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-54.3	156.2	158.5	0	0	0	0	0	111.7
990	W	79.6	Confident	74	Confident	65 Å²	65	61.9 Å²	61.9	25%	0.246	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-72.2	141.5	172.2	-71.8	100.1	0	0	0	110.4	Q1004 R1006 E1026 R1028	W990-Q1004 HydrophobicContact CB-CB 4.32Å; W990-Q1004 HydrophobicContact CD2-CB 4.47Å; W990-Q1004 HydrophobicContact CE3-CB 3.85Å; W990-Q1004 WeakPolarHBondContact CZ3-O 3.27Å; W990-R1006 HydrophobicContact CD2-CB 4.2Å; W990-R1006 HydrophobicContact CD2-CG 4.12Å; W990-R1006 HydrophobicContact CE3-CB 3.95Å; W990-R1006 HydrophobicContact CE3-CG 3.87Å; W990-R1006 HydrophobicContact CH2-CG 3.84Å; W990-R1006 HydrophobicContact CZ2-CG 4.08Å; W990-R1006 HydrophobicContact CZ3-CB 4.26Å; W990-R1006 HydrophobicContact CZ3-CG 3.72Å; W990-E1026 HydrophobicContact CH2-CB 4.35Å; W990-E1026 HydrophobicContact CH2-CG 3.92Å; W990-E1026 WeakPolarHBondContact CH2-OE1 3.46Å; W990-R1028 HydrophobicContact CD2-CG 4.23Å; W990-R1028 HydrophobicContact CE3-CG 3.86Å; W990-R1028 HydrophobicContact CH2-CB 3.79Å; W990-R1028 HydrophobicContact CH2-CG 3.71Å; W990-R1028 HydrophobicContact CZ2-CB 4.39Å; W990-R1028 HydrophobicContact CZ2-CG 4.1Å; W990-R1028 HydrophobicContact CZ3-CB 3.99Å; W990-R1028 HydrophobicContact CZ3-CG 3.59Å
991	S	68.9	Low	75.2	Confident	34 Å²	34	66.5 Å²	66.5	24%	0.238	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-58.2	161.7	169.1	74.8	0	0	0	0	111.5	Q1004 S1005	S991-Q1004 WeakPolarHBondContact O-CG 3.3Å; S991-Q1004 PolarHBondContact O-NE2 3.43Å; S991-Q1004 WeakPolarHBondContact OG-CA 3.03Å; S991-S1005 WeakPolarHBondContact CB-O 3.36Å; S991-S1005 PolarHBondContact N-O 3.03Å; S991-S1005 PolarHBondContact OG-N 3.05Å
992	P	77.8	Confident	75.8	Confident	97 Å²	97	63.7 Å²	63.7	63%	0.63	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-50.9	152.8	161.4	-25.5	35.5	0	0	0	111.6
993	C	84.2	Confident	76.6	Confident	27 Å²	27	64.7 Å²	64.7	18%	0.182	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-65.8	137.1	175.8	-170.4	0	0	0	0	109.6	V995 Q1004 C1030	C993-V995 PolarHBondContact O-N 2.51Å; C993-Q1004 HydrophobicContact CB-CG 4.19Å; C993-C1030 WeakPolarHBondContact CA-SG 3.46Å; C993-C1030 HydrophobicContact CB-CB 3.92Å; C993-C1030 WeakPolarHBondContact CB-SG 3.23Å; C993-C1030 WeakPolarHBondContact SG-CB 2.98Å; C993-C1030 CovalentContact SG-SG 2.03Å; C993-C1030 PolarHBondContact SG-SG 3.3Å
994	S	81.2	Confident	76.7	Confident	78 Å²	78	62.9 Å²	62.9	55%	0.545	37%	0.366	S	S	.	.	S	Bend	trans	-68.7	3.2	-179.4	75.8	0	0	0	0	114.7	G1002 T1003	S994-G1002 VanDerWaalsContact OG-CA 3.3Å; S994-G1002 WeakPolarHBondContact OG-CA 3.45Å; S994-T1003 WeakPolarHBondContact CB-O 3.19Å; S994-T1003 PolarHBondContact N-O 2.92Å; S994-T1003 PolarHBondContact OG-N 3.44Å
995	V	79.8	Confident	76.8	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.158	36%	0.361	C	S	.	.			trans	-138.5	142.3	171.9	-56.6	0	0	0	0	108.5	C993 Q1000 G1032	C993-V995 PolarHBondContact O-N 2.51Å; V995-Q1000 HydrophobicContact CB-CB 3.74Å; V995-Q1000 HydrophobicContact CG1-CB 3.96Å; V995-Q1000 HydrophobicContact CG2-CB 3.63Å; V995-Q1000 WeakPolarHBondContact CG2-O 3.37Å; V995-G1032 VanDerWaalsContact O-CA 3.27Å; V995-G1032 WeakPolarHBondContact O-CA 3.27Å
996	S	75.5	Confident	77.2	Confident	73 Å²	73	61.7 Å²	61.7	51%	0.51	36%	0.356	S	S	.	.	S	Bend	trans	-80.6	-39.2	176.2	-35	0	0	0	0	111.4	G1032 T1033 S1034	S996-G1032 CarbonylContact O-C 2.96Å; S996-G1032 WeakPolarHBondContact O-CA 3.36Å; S996-T1033 PolarHBondContact O-N 3.39Å; S996-S1034 CarbonylContact C-O 3.6Å; S996-S1034 VanDerWaalsContact CB-O 3.28Å; S996-S1034 WeakPolarHBondContact CB-O 3.4Å; S996-S1034 CarbonylContact O-C 3.42Å; S996-S1034 PolarHBondContact O-N 3.24Å
997	C	75.9	Confident	76.7	Confident	21 Å²	21	61.5 Å²	61.5	14%	0.142	34%	0.341	C	S	.	.	S	Bend	trans	-81.5	136.8	-166.6	-88.2	0	0	0	0	114.6	H999 Q1000 G1032 S1034 C1035	C997-H999 VanDerWaalsContact C-N 3.31Å; C997-H999 PolarHBondContact O-N 2.65Å; C997-H999 VanDerWaalsContact SG-CE1 3.59Å; C997-Q1000 HydrophobicContact CB-CB 4.37Å; C997-Q1000 HydrophobicContact CB-CG 3.87Å; C997-Q1000 WeakPolarHBondContact O-CB 3.47Å; C997-Q1000 PolarHBondContact O-N 2.77Å; C997-G1032 PolarHBondContact O-N 3.01Å; C997-S1034 WeakPolarHBondContact CA-O 3.33Å; C997-S1034 PolarHBondContact N-O 3.01Å; C997-C1035 WeakPolarHBondContact CA-SG 3.37Å; C997-C1035 HydrophobicContact CB-CB 4.5Å; C997-C1035 WeakPolarHBondContact CB-SG 3.48Å; C997-C1035 WeakPolarHBondContact SG-CB 3.25Å; C997-C1035 CovalentContact SG-SG 2.04Å; C997-C1035 PolarHBondContact SG-SG 3.1Å
998	P	77.6	Confident	76.3	Confident	66 Å²	66	60.7 Å²	60.7	43%	0.429	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.7	-179.1	-25.9	34.2	0	0	0	116	Q1000 H1031 G1032	P998-Q1000 PolarHBondContact O-N 2.83Å; P998-H1031 PolarHBondContact O-ND1 2.86Å; P998-G1032 WeakPolarHBondContact CA-O 3.32Å
999	H	82.3	Confident	75.9	Confident	145 Å²	145	66.2 Å²	66.2	67%	0.671	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8	177	60	-99.3	0	0	0	113.1	C997 C1035	C997-H999 VanDerWaalsContact C-N 3.31Å; C997-H999 PolarHBondContact O-N 2.65Å; C997-H999 VanDerWaalsContact SG-CE1 3.59Å; H999-C1035 PolarHBondContact CE1-SG 3.1Å
1000	Q	78.4	Confident	75.3	Confident	86 Å²	86	65.8 Å²	65.8	40%	0.402	34%	0.335	S	S	.	.	S	Bend	trans	-97.8	139.1	176.6	-59.5	-178.3	-1.3	0	0	109.5	V995 C997 P998	V995-Q1000 HydrophobicContact CB-CB 3.74Å; V995-Q1000 HydrophobicContact CG1-CB 3.96Å; V995-Q1000 HydrophobicContact CG2-CB 3.63Å; V995-Q1000 WeakPolarHBondContact CG2-O 3.37Å; C997-Q1000 HydrophobicContact CB-CB 4.37Å; C997-Q1000 HydrophobicContact CB-CG 3.87Å; C997-Q1000 WeakPolarHBondContact O-CB 3.47Å; C997-Q1000 PolarHBondContact O-N 2.77Å; P998-Q1000 PolarHBondContact O-N 2.83Å
1001	K	82.8	Confident	74.3	Confident	132 Å²	132	69 Å²	69	57%	0.574	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.7	167.3	-78.2	-168	165.5	-149	0	109.2	E1029	K1001-E1029 IonicContact NZ-OE1 3.97Å; K1001-E1029 IonicContact NZ-OE2 2.75Å; K1001-E1029 PolarHBondContact NZ-OE2 3.11Å
1002	G	83.3	Confident	73.6	Confident	3 Å²	3	70.2 Å²	70.2	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-171.2	171.9	0	0	0	0	0	111.5	S994 C1030	S994-G1002 VanDerWaalsContact OG-CA 3.3Å; S994-G1002 WeakPolarHBondContact OG-CA 3.45Å; G1002-C1030 CarbonylContact C-O 3.49Å; G1002-C1030 PolarHBondContact N-O 2.91Å; G1002-C1030 PolarHBondContact O-N 3.48Å; G1002-C1030 VanDerWaalsContact O-O 3.12Å
1003	T	81	Confident	72.3	Confident	42 Å²	42	68 Å²	68	26%	0.258	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.9	175.4	58.6	0	0	0	0	111.4	S994 K1027 R1028 C1030	S994-T1003 WeakPolarHBondContact CB-O 3.19Å; S994-T1003 PolarHBondContact N-O 2.92Å; S994-T1003 PolarHBondContact OG-N 3.44Å; T1003-K1027 WeakPolarHBondContact OG1-CE 3.28Å; T1003-K1027 PolarHBondContact OG1-NZ 2.98Å; T1003-R1028 CarbonylContact C-O 3.56Å; T1003-R1028 VanDerWaalsContact CA-O 3.23Å; T1003-R1028 WeakPolarHBondContact CA-O 3.12Å; T1003-C1030 VanDerWaalsContact CA-SG 3.53Å; T1003-C1030 PolarHBondContact N-SG 3.36Å
1004	Q	78.4	Confident	70.9	Confident	31 Å²	31	67.5 Å²	67.5	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.6	169.8	-69.2	-178.9	-27.6	0	0	109.3	W990 S991 C993 K1027 R1028 C1030	W990-Q1004 HydrophobicContact CB-CB 4.32Å; W990-Q1004 HydrophobicContact CD2-CB 4.47Å; W990-Q1004 HydrophobicContact CE3-CB 3.85Å; W990-Q1004 WeakPolarHBondContact CZ3-O 3.27Å; S991-Q1004 WeakPolarHBondContact O-CG 3.3Å; S991-Q1004 PolarHBondContact O-NE2 3.43Å; S991-Q1004 WeakPolarHBondContact OG-CA 3.03Å; C993-Q1004 HydrophobicContact CB-CG 4.19Å; Q1004-K1027 CarbonylContact O-C 3.5Å; Q1004-K1027 VanDerWaalsContact O-CA 3.3Å; Q1004-K1027 WeakPolarHBondContact O-CA 3.48Å; Q1004-R1028 HydrophobicContact CB-CG 4.05Å; Q1004-R1028 PolarHBondContact N-O 3.33Å; Q1004-R1028 PolarHBondContact O-N 3.32Å; Q1004-R1028 VanDerWaalsContact OE1-CZ 3.27Å; Q1004-C1030 HydrophobicContact CG-CB 3.93Å
1005	S	70.9	Confident	69.1	Low	18 Å²	18	67.5 Å²	67.5	13%	0.126	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.6	179.2	-52	0	0	0	0	111.5	S991 E1026	S991-S1005 WeakPolarHBondContact CB-O 3.36Å; S991-S1005 PolarHBondContact N-O 3.03Å; S991-S1005 PolarHBondContact OG-N 3.05Å; S1005-E1026 CarbonylContact C-O 3.43Å; S1005-E1026 VanDerWaalsContact CA-O 3.29Å; S1005-E1026 WeakPolarHBondContact CA-O 3.38Å
1006	R	75.5	Confident	68	Low	53 Å²	53	69.7 Å²	69.7	20%	0.2	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.6	173.1	65.3	174.7	-175.4	-176.4	-7.3	111.6	W987 W990 E1026	W987-R1006 HydrophobicContact CD2-CG 4.24Å; W987-R1006 HydrophobicContact CE3-CB 4.34Å; W987-R1006 HydrophobicContact CE3-CG 3.63Å; W987-R1006 HydrophobicContact CZ3-CG 4.02Å; W990-R1006 HydrophobicContact CD2-CB 4.2Å; W990-R1006 HydrophobicContact CD2-CG 4.12Å; W990-R1006 HydrophobicContact CE3-CB 3.95Å; W990-R1006 HydrophobicContact CE3-CG 3.87Å; W990-R1006 HydrophobicContact CH2-CG 3.84Å; W990-R1006 HydrophobicContact CZ2-CG 4.08Å; W990-R1006 HydrophobicContact CZ3-CB 4.26Å; W990-R1006 HydrophobicContact CZ3-CG 3.72Å; R1006-E1026 HydrophobicContact CG-CB 3.91Å; R1006-E1026 IonicContact CZ-OE1 3.76Å; R1006-E1026 IonicContact CZ-OE2 2.85Å; R1006-E1026 PolarHBondContact N-O 3.3Å; R1006-E1026 IonicContact NE-OE1 3.13Å; R1006-E1026 IonicContact NE-OE2 3.98Å; R1006-E1026 PolarHBondContact NE-OE2 3.38Å; R1006-E1026 VanDerWaalsContact NH2-CD 3.25Å; R1006-E1026 IonicContact NH2-OE1 3.87Å; R1006-E1026 PolarHBondContact NH2-OE1 3.42Å; R1006-E1026 VanDerWaalsContact NH2-OE1 3.08Å; R1006-E1026 IonicContact NH2-OE2 2.93Å; R1006-E1026 PolarHBondContact NH2-OE2 3.48Å; R1006-E1026 PolarHBondContact O-N 3.16Å
1007	W	67.5	Low	66.7	Low	123 Å²	123	69.3 Å²	69.3	47%	0.466	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.1	-172.5	-10.5	84.2	0	0	0	111.5	W987 S988 L1024 F1025	W987-W1007 VanDerWaalsContact CE3-C 3.45Å; S988-W1007 WeakPolarHBondContact CB-O 3.25Å; S988-W1007 PolarHBondContact N-O 2.97Å; S988-W1007 VanDerWaalsContact OG-CD1 3.25Å; S988-W1007 PolarHBondContact OG-N 3Å; S988-W1007 PolarHBondContact OG-O 2.99Å; W1007-L1024 CarbonylContact C-O 3.52Å; W1007-L1024 VanDerWaalsContact CA-O 3.3Å; W1007-L1024 WeakPolarHBondContact CA-O 3.08Å; W1007-F1025 AromaticContact CE3-CD2 3.62Å; W1007-F1025 HydrophobicContact CE3-CD2 3.62Å; W1007-F1025 HydrophobicContact CE3-CE2 4.04Å; W1007-F1025 HydrophobicContact CH2-CE2 4.27Å; W1007-F1025 AromaticContact CZ3-CD2 3.58Å; W1007-F1025 HydrophobicContact CZ3-CD2 3.58Å; W1007-F1025 AromaticContact CZ3-CE2 3.53Å; W1007-F1025 HydrophobicContact CZ3-CE2 3.53Å
1008	R	65.9	Low	66.2	Low	48 Å²	48	69 Å²	69	18%	0.181	35%	0.345	C	S	.	.			trans	-145.2	164.7	163.2	61.4	-179.6	172.3	177	-3	109.4	M984 W987 S1023 L1024	M984-R1008 VanDerWaalsContact SD-CZ 3.51Å; W987-R1008 HydrophobicContact CD2-CB 4.24Å; W987-R1008 HydrophobicContact CD2-CG 4.05Å; W987-R1008 HydrophobicContact CE3-CB 3.97Å; W987-R1008 HydrophobicContact CE3-CG 3.84Å; W987-R1008 HydrophobicContact CH2-CG 4.05Å; W987-R1008 HydrophobicContact CZ2-CG 4.27Å; W987-R1008 VanDerWaalsContact CZ2-NE 3.26Å; W987-R1008 HydrophobicContact CZ3-CB 4.38Å; W987-R1008 HydrophobicContact CZ3-CG 3.84Å; R1008-S1023 VanDerWaalsContact CZ-O 3.29Å; R1008-S1023 PolarHBondContact NE-O 3.39Å; R1008-S1023 PolarHBondContact NH2-O 2.89Å; R1008-L1024 HydrophobicContact CG-CD2 4.19Å; R1008-L1024 PolarHBondContact N-O 3.07Å; R1008-L1024 WeakPolarHBondContact O-CB 3.45Å
1009	Y	57	Low	65.6	Low	157 Å²	157	70.4 Å²	70.4	62%	0.616	35%	0.349	S	S	*	.			trans	-119.2	158.4	-175.8	-55.3	-81.1	0	0	0	111.2	M984 T985	M984-Y1009 CarbonylContact C-O 3.53Å; M984-Y1009 WeakPolarHBondContact CA-O 3.35Å; M984-Y1009 WeakPolarHBondContact CB-O 3.46Å; T985-Y1009 PolarHBondContact N-O 3.42Å; T985-Y1009 PolarHBondContact OG1-N 3.3Å
1010	I	56.8	Low	64.3	Low	56 Å²	56	67 Å²	67	29%	0.287	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.4	171.3	-59.7	171.4	0	0	0	107.7	K1012 P1013 C1021 L1024	I1010-K1012 WeakPolarHBondContact CG2-O 3.39Å; I1010-P1013 HydrophobicContact CG2-CB 4.21Å; I1010-C1021 HydrophobicContact CD1-CB 4.18Å; I1010-C1021 WeakPolarHBondContact CD1-SG 3.35Å; I1010-C1021 HydrophobicContact CG1-CB 4.25Å; I1010-L1024 HydrophobicContact CD1-CD1 4Å; I1010-L1024 HydrophobicContact CG1-CD1 3.9Å; I1010-L1024 HydrophobicContact CG1-CD2 3.81Å; I1010-L1024 HydrophobicContact CG1-CG 4.44Å
1011	E	60	Low	63.7	Low	132 Å²	132	64.1 Å²	64.1	62%	0.617	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-37.9	173.9	-172.6	177.4	-177.6	0	0	111	I983	I983-E1011 HydrophobicContact CG2-CB 4.29Å; I983-E1011 PolarHBondContact O-N 2.97Å
1012	K	54.3	Low	63.1	Low	61 Å²	61	59.4 Å²	59.4	27%	0.265	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	125.4	167.1	-59.7	-167.6	-175.4	-177.2	0	109.8	C982 I983 I1010	C982-K1012 CarbonylContact C-O 3.34Å; C982-K1012 VanDerWaalsContact CA-O 3.31Å; C982-K1012 WeakPolarHBondContact CA-O 3.16Å; C982-K1012 PolarHBondContact SG-O 2.81Å; C982-K1012 VanDerWaalsContact SG-O 3.4Å; I983-K1012 HydrophobicContact CB-CB 4.09Å; I983-K1012 HydrophobicContact CB-CG 4.43Å; I983-K1012 HydrophobicContact CD1-CB 4.5Å; I983-K1012 HydrophobicContact CD1-CD 3.97Å; I983-K1012 HydrophobicContact CD1-CG 4.34Å; I983-K1012 HydrophobicContact CG1-CB 4.23Å; I983-K1012 PolarHBondContact N-O 3.3Å; I983-K1012 PolarHBondContact O-N 3.24Å; I1010-K1012 WeakPolarHBondContact CG2-O 3.39Å
1013	P	49.3	Very low	62.3	Low	49 Å²	49	62 Å²	62	32%	0.318	34%	0.336	S	S	.	.			trans	-71.4	161	175.1	31.6	-35.3	0	0	0	111.1	I1010	I1010-P1013 HydrophobicContact CG2-CB 4.21Å
1014	S	56.1	Low	61.4	Low	17 Å²	17	62.7 Å²	62.7	12%	0.119	34%	0.338	C	S	.	.			trans	-70.5	127.3	174.9	50.7	0	0	0	0	111.7	Q980 N1019	Q980-S1014 CarbonylContact O-C 3.53Å; Q980-S1014 VanDerWaalsContact O-CA 3.24Å; Q980-S1014 WeakPolarHBondContact O-CA 3.37Å; S1014-N1019 WeakPolarHBondContact CB-O 3.37Å
1015	M	43.7	Very low	60.7	Low	78 Å²	78	66 Å²	66	38%	0.384	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-128.6	155.7	175.5	-55.5	179.7	64.7	0	0	111.4	Q980 G1017 G1018	Q980-M1015 HydrophobicContact CB-CB 4.14Å; Q980-M1015 PolarHBondContact N-O 3.34Å; Q980-M1015 PolarHBondContact O-N 2.75Å; M1015-G1017 PolarHBondContact O-N 3.4Å; M1015-G1018 PolarHBondContact O-N 3.34Å
1016	H	55	Low	61	Low	72 Å²	72	68.3 Å²	68.3	33%	0.333	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	49.7	171.7	-35.4	124.2	0	0	0	114	S976 G977 P978 G1018	S976-H1016 VanDerWaalsContact CB-CD2 3.47Å; S976-H1016 WeakPolarHBondContact CB-CD2 3.41Å; G977-H1016 VanDerWaalsContact C-ND1 3.28Å; G977-H1016 VanDerWaalsContact CA-CE1 3.46Å; G977-H1016 WeakPolarHBondContact CA-CE1 3.44Å; G977-H1016 PolarHBondContact N-CD2 3.33Å; G977-H1016 PolarHBondContact N-CE1 3.49Å; G977-H1016 PolarHBondContact N-NE2 3.01Å; G977-H1016 WeakPolarHBondContact O-CB 3.25Å; G977-H1016 PolarHBondContact O-ND1 3.08Å; P978-H1016 PolarHBondContact O-ND1 3.36Å; H1016-G1018 VanDerWaalsContact C-N 3.3Å; H1016-G1018 PolarHBondContact O-N 3.28Å
1017	G	49.8	Very low	61	Low	66 Å²	66	71.6 Å²	71.6	68%	0.68	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	15.2	-177.9	0	0	0	0	0	115	K979 M1015	K979-G1017 WeakPolarHBondContact CE-O 3.45Å; K979-G1017 PolarHBondContact NZ-O 2.93Å; M1015-G1017 PolarHBondContact O-N 3.4Å
1018	G	64.1	Low	61.9	Low	13 Å²	13	71.3 Å²	71.3	13%	0.134	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-58.2	149.4	171.7	0	0	0	0	0	114	Q980 D981 M1015 H1016 S1020	Q980-G1018 WeakPolarHBondContact O-CA 3.35Å; D981-G1018 WeakPolarHBondContact OD1-CA 3.39Å; M1015-G1018 PolarHBondContact O-N 3.34Å; H1016-G1018 VanDerWaalsContact C-N 3.3Å; H1016-G1018 PolarHBondContact O-N 3.28Å; G1018-S1020 PolarHBondContact O-N 2.98Å
1019	N	65.4	Low	63	Low	97 Å²	97	75.3 Å²	75.3	52%	0.519	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.8	129	172.5	-69.4	-42.5	0	0	0	110.9	D981 C982 S1014	D981-N1019 HydrophobicContact CB-CB 4.22Å; D981-N1019 PolarHBondContact OD1-N 3.25Å; D981-N1019 PolarHBondContact OD1-ND2 3.39Å; D981-N1019 PolarHBondContact OD2-ND2 2.04Å; C982-N1019 WeakPolarHBondContact CB-O 3.38Å; C982-N1019 PolarHBondContact N-O 2.86Å; S1014-N1019 WeakPolarHBondContact CB-O 3.37Å
1020	S	55.7	Low	64.3	Low	74 Å²	74	68.5 Å²	68.5	52%	0.517	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-54.5	151.4	177.5	-49.8	0	0	0	0	113	G1018	G1018-S1020 PolarHBondContact O-N 2.98Å
1021	C	64.5	Low	65.6	Low	25 Å²	25	70.8 Å²	70.8	17%	0.169	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-60.7	139.9	169.6	-50.5	0	0	0	0	111.1	C982 M984 I1010	C982-C1021 HydrophobicContact CB-CB 3.86Å; C982-C1021 WeakPolarHBondContact CB-SG 3.45Å; C982-C1021 WeakPolarHBondContact SG-CA 3.2Å; C982-C1021 WeakPolarHBondContact SG-CB 3.05Å; C982-C1021 CovalentContact SG-SG 2.03Å; C982-C1021 PolarHBondContact SG-SG 2.8Å; M984-C1021 HydrophobicContact CG-CB 4.45Å; M984-C1021 HydrophobicContact SD-CB 4.13Å; I1010-C1021 HydrophobicContact CD1-CB 4.18Å; I1010-C1021 WeakPolarHBondContact CD1-SG 3.35Å; I1010-C1021 HydrophobicContact CG1-CB 4.25Å
1022	G	71.6	Confident	66.1	Low	32 Å²	32	64.6 Å²	64.6	33%	0.33	35%	0.353	S	S	.	.			trans	-75.9	175.4	166.7	0	0	0	0	0	111.5	M984 L1024	M984-G1022 VanDerWaalsContact SD-O 3.38Å; G1022-L1024 PolarHBondContact O-N 2.96Å
1023	S	66.7	Low	66.8	Low	57 Å²	57	66.8 Å²	66.8	40%	0.399	37%	0.371	S	S	.	.			trans	-53.2	130.9	-177.7	-51.9	0	0	0	0	112.4	W987 R1008	W987-S1023 VanDerWaalsContact CH2-O 3.22Å; W987-S1023 WeakPolarHBondContact CH2-O 3.19Å; R1008-S1023 VanDerWaalsContact CZ-O 3.29Å; R1008-S1023 PolarHBondContact NE-O 3.39Å; R1008-S1023 PolarHBondContact NH2-O 2.89Å
1024	L	61.1	Low	67.3	Low	57 Å²	57	66.6 Å²	66.6	30%	0.298	37%	0.371	S	S	.	.	S	Bend	trans	-86.8	-10.2	177.8	-60.6	-178.1	0	0	0	113	M984 W987 W1007 R1008 I1010 G1022	M984-L1024 HydrophobicContact CG-CD2 4.14Å; M984-L1024 HydrophobicContact SD-CD2 3.92Å; W987-L1024 WeakPolarHBondContact CZ3-O 3.18Å; W1007-L1024 CarbonylContact C-O 3.52Å; W1007-L1024 VanDerWaalsContact CA-O 3.3Å; W1007-L1024 WeakPolarHBondContact CA-O 3.08Å; R1008-L1024 HydrophobicContact CG-CD2 4.19Å; R1008-L1024 PolarHBondContact N-O 3.07Å; R1008-L1024 WeakPolarHBondContact O-CB 3.45Å; I1010-L1024 HydrophobicContact CD1-CD1 4Å; I1010-L1024 HydrophobicContact CG1-CD1 3.9Å; I1010-L1024 HydrophobicContact CG1-CD2 3.81Å; I1010-L1024 HydrophobicContact CG1-CG 4.44Å; G1022-L1024 PolarHBondContact O-N 2.96Å
1025	F	63.3	Low	67.3	Low	102 Å²	102	72.3 Å²	72.3	45%	0.447	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.3	-179.7	171.9	-99	0	0	0	109.2	W1007 K1027	W1007-F1025 AromaticContact CE3-CD2 3.62Å; W1007-F1025 HydrophobicContact CE3-CD2 3.62Å; W1007-F1025 HydrophobicContact CE3-CE2 4.04Å; W1007-F1025 HydrophobicContact CH2-CE2 4.27Å; W1007-F1025 AromaticContact CZ3-CD2 3.58Å; W1007-F1025 HydrophobicContact CZ3-CD2 3.58Å; W1007-F1025 AromaticContact CZ3-CE2 3.53Å; W1007-F1025 HydrophobicContact CZ3-CE2 3.53Å; F1025-K1027 HydrophobicContact CE1-CB 3.91Å; F1025-K1027 HydrophobicContact CZ-CB 4.02Å; F1025-K1027 HydrophobicContact CZ-CD 4.36Å
1026	E	76.9	Confident	68.5	Low	66 Å²	66	72 Å²	72	31%	0.308	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.3	174.4	-169.3	-172.2	143.8	0	0	109.9	W987 W990 S1005 R1006	W987-E1026 HydrophobicContact CH2-CB 3.57Å; W987-E1026 HydrophobicContact CZ2-CB 4.08Å; W987-E1026 WeakPolarHBondContact CZ2-OE2 3.3Å; W987-E1026 HydrophobicContact CZ3-CB 3.86Å; W990-E1026 HydrophobicContact CH2-CB 4.35Å; W990-E1026 HydrophobicContact CH2-CG 3.92Å; W990-E1026 WeakPolarHBondContact CH2-OE1 3.46Å; S1005-E1026 CarbonylContact C-O 3.43Å; S1005-E1026 VanDerWaalsContact CA-O 3.29Å; S1005-E1026 WeakPolarHBondContact CA-O 3.38Å; R1006-E1026 HydrophobicContact CG-CB 3.91Å; R1006-E1026 IonicContact CZ-OE1 3.76Å; R1006-E1026 IonicContact CZ-OE2 2.85Å; R1006-E1026 PolarHBondContact N-O 3.3Å; R1006-E1026 IonicContact NE-OE1 3.13Å; R1006-E1026 IonicContact NE-OE2 3.98Å; R1006-E1026 PolarHBondContact NE-OE2 3.38Å; R1006-E1026 VanDerWaalsContact NH2-CD 3.25Å; R1006-E1026 IonicContact NH2-OE1 3.87Å; R1006-E1026 PolarHBondContact NH2-OE1 3.42Å; R1006-E1026 VanDerWaalsContact NH2-OE1 3.08Å; R1006-E1026 IonicContact NH2-OE2 2.93Å; R1006-E1026 PolarHBondContact NH2-OE2 3.48Å; R1006-E1026 PolarHBondContact O-N 3.16Å
1027	K	76.7	Confident	69.2	Low	121 Å²	121	72 Å²	72	53%	0.526	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.3	-176.5	-170.9	176.6	-178.5	-177.1	0	109.6	T1003 Q1004 F1025	T1003-K1027 WeakPolarHBondContact OG1-CE 3.28Å; T1003-K1027 PolarHBondContact OG1-NZ 2.98Å; Q1004-K1027 CarbonylContact O-C 3.5Å; Q1004-K1027 VanDerWaalsContact O-CA 3.3Å; Q1004-K1027 WeakPolarHBondContact O-CA 3.48Å; F1025-K1027 HydrophobicContact CE1-CB 3.91Å; F1025-K1027 HydrophobicContact CZ-CB 4.02Å; F1025-K1027 HydrophobicContact CZ-CD 4.36Å
1028	R	86.5	Confident	70.3	Confident	117 Å²	117	72.3 Å²	72.3	44%	0.442	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154	175.8	70.9	177.5	-179.8	-179.6	1.3	111.8	W990 T1003 Q1004	W990-R1028 HydrophobicContact CD2-CG 4.23Å; W990-R1028 HydrophobicContact CE3-CG 3.86Å; W990-R1028 HydrophobicContact CH2-CB 3.79Å; W990-R1028 HydrophobicContact CH2-CG 3.71Å; W990-R1028 HydrophobicContact CZ2-CB 4.39Å; W990-R1028 HydrophobicContact CZ2-CG 4.1Å; W990-R1028 HydrophobicContact CZ3-CB 3.99Å; W990-R1028 HydrophobicContact CZ3-CG 3.59Å; T1003-R1028 CarbonylContact C-O 3.56Å; T1003-R1028 VanDerWaalsContact CA-O 3.23Å; T1003-R1028 WeakPolarHBondContact CA-O 3.12Å; Q1004-R1028 HydrophobicContact CB-CG 4.05Å; Q1004-R1028 PolarHBondContact N-O 3.33Å; Q1004-R1028 PolarHBondContact O-N 3.32Å; Q1004-R1028 VanDerWaalsContact OE1-CZ 3.27Å
1029	E	88.3	Confident	70.6	Confident	133 Å²	133	75.8 Å²	75.8	62%	0.621	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	146.8	163.9	-66.8	-165.3	-179.3	0	0	110.3	K1001	K1001-E1029 IonicContact NZ-OE1 3.97Å; K1001-E1029 IonicContact NZ-OE2 2.75Å; K1001-E1029 PolarHBondContact NZ-OE2 3.11Å
1030	C	85.5	Confident	70.9	Confident	13 Å²	13	74.5 Å²	74.5	9%	0.088	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.7	170.3	58	0	0	0	0	109.2	C993 G1002 T1003 Q1004	C993-C1030 WeakPolarHBondContact CA-SG 3.46Å; C993-C1030 HydrophobicContact CB-CB 3.92Å; C993-C1030 WeakPolarHBondContact CB-SG 3.23Å; C993-C1030 WeakPolarHBondContact SG-CB 2.98Å; C993-C1030 CovalentContact SG-SG 2.03Å; C993-C1030 PolarHBondContact SG-SG 3.3Å; G1002-C1030 CarbonylContact C-O 3.49Å; G1002-C1030 PolarHBondContact N-O 2.91Å; G1002-C1030 PolarHBondContact O-N 3.48Å; G1002-C1030 VanDerWaalsContact O-O 3.12Å; T1003-C1030 VanDerWaalsContact CA-SG 3.53Å; T1003-C1030 PolarHBondContact N-SG 3.36Å; Q1004-C1030 HydrophobicContact CG-CB 3.93Å
1031	H	83.9	Confident	72	Confident	104 Å²	104	74.5 Å²	74.5	48%	0.481	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.2	160.2	-74.5	-97.2	0	0	0	107.9	P998	P998-H1031 PolarHBondContact O-ND1 2.86Å
1032	G	69	Low	72.5	Confident	3 Å²	3	78.1 Å²	78.1	3%	0.031	42%	0.419	C	S	.	.			trans	-63.6	162.6	169.4	0	0	0	0	0	111.4	V995 S996 C997 P998	V995-G1032 VanDerWaalsContact O-CA 3.27Å; V995-G1032 WeakPolarHBondContact O-CA 3.27Å; S996-G1032 CarbonylContact O-C 2.96Å; S996-G1032 WeakPolarHBondContact O-CA 3.36Å; C997-G1032 PolarHBondContact O-N 3.01Å; P998-G1032 WeakPolarHBondContact CA-O 3.32Å
1033	T	70.3	Confident	72.6	Confident	106 Å²	106	81.6 Å²	81.6	65%	0.65	43%	0.426	S	S	*	.			trans	-119.8	-3.5	-179	37.1	0	0	0	0	114.6	E245 S996	E245-T1033 VanDerWaalsContact OE2-CA 3.25Å; E245-T1033 WeakPolarHBondContact OE2-CA 3.4Å; E245-T1033 WeakPolarHBondContact OE2-CB 3.32Å; E245-T1033 PolarHBondContact OE2-OG1 3.47Å; S996-T1033 PolarHBondContact O-N 3.39Å
1034	S	60.5	Low	73.1	Confident	46 Å²	46	83.7 Å²	83.7	32%	0.322	43%	0.428	S	S	.	.			trans	-147.7	139.1	169.4	79.1	0	0	0	0	115.7	E245 S996 C997	E245-S1034 VanDerWaalsContact CD-CB 3.45Å; E245-S1034 WeakPolarHBondContact CG-OG 3.46Å; E245-S1034 WeakPolarHBondContact OE1-CB 3.08Å; E245-S1034 PolarHBondContact OE1-N 2.99Å; E245-S1034 VanDerWaalsContact OE1-N 3.1Å; E245-S1034 PolarHBondContact OE1-OG 3.46Å; E245-S1034 PolarHBondContact OE2-N 3.11Å; E245-S1034 VanDerWaalsContact OE2-N 3.1Å; S996-S1034 CarbonylContact C-O 3.6Å; S996-S1034 VanDerWaalsContact CB-O 3.28Å; S996-S1034 WeakPolarHBondContact CB-O 3.4Å; S996-S1034 CarbonylContact O-C 3.42Å; S996-S1034 PolarHBondContact O-N 3.24Å; C997-S1034 WeakPolarHBondContact CA-O 3.33Å; C997-S1034 PolarHBondContact N-O 3.01Å
1035	C	54.9	Low	74.2	Confident	136 Å²	136	86.1 Å²	86.1	92%	0.919	44%	0.44	S	S	*	.			trans	-115.9	0	149.3	-46.5	0	0	0	0	107	C997 H999	C997-C1035 WeakPolarHBondContact CA-SG 3.37Å; C997-C1035 HydrophobicContact CB-CB 4.5Å; C997-C1035 WeakPolarHBondContact CB-SG 3.48Å; C997-C1035 WeakPolarHBondContact SG-CB 3.25Å; C997-C1035 CovalentContact SG-SG 2.04Å; C997-C1035 PolarHBondContact SG-SG 3.1Å; H999-C1035 PolarHBondContact CE1-SG 3.1Å

Retrieved 1,035 of 1,035 residues in 1132.8 ms (Link to these results)

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