A0A087YB22_POEFO Loading...

Protocadherin 18a

AlphaFold DB , UniProt , Accession A0A087YB22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,172 aa.

						>A0A087YB22_POEFO|A0A087YB22
MTGLFLTRMLRVATVLVLAAQHVTGKTLKYQIFEEQKVGTVIARLRDDVADVLAKLPSSVSLRFRAMQRGSSSFLAVREQDGEISIRTKIDREKLCEKNLNCSIQFDVLTLPTEHLQLFHVEVEVLDINDNTPHFAKAVIPIEISESAAIGARIPLDSATDPDVGENSLYTYALEPNNNFKIDVQSRSDGVKYAELVVLRELDREVRSSYELQYTASDRGVPPRTGSTLLKISIADSNDNSPVFEKSSYVISLPENSPVGTLLIDLNATDADDGTNAKIAYSFSNHVSPKIIETFKINTDSGHLTLIKRVDYETANSYDIDVQAQDMGPNSMPAHCKILVKVVDVNDNKPDISINFPSQGNGDAAYVSEASPLDTFVALVRVEDLDSGLNGEVECKLHGQGYFKLQKTYENNYMILTNVSLDREKRSEFSLTVVAEDRGTPSLSTVKHFTVHVTDENDNPPRFEKGRYEIFKSENNAPGAYLTSITATDPDLDANGQVSYSILENFIHGSSISTYVTIDPSNGAIYALRTFDREEVNNISFIVQAKDAGKPPLTSNTTVVLSILDENDNPPVIVVPQLWNFSADVRASKFTEAGRLVTVVRATDRDTGVNGELICSIVSGNEEGYFVIEPRTCKIQANTSLENFPHEHAELTVVVRDQGTESLSAKAVLKINLYENMKNHIQPMDQGESPFNISRMIIIILGVVVGKLLVIMVAFVTRCNREKKEARHSYNCRVAESTHQHHPKKPSRQIHKGDITLVPTVNGTLPIRAHHRSPSATPPMDRAQMGVPQNHHSRQSLNSLVTISSNHIPESFALEMAHATPPVEGQYQPRPSFRGNKYSRSYRYALQDMDKFSLKDSGRGDSEAGDSDCEMGRESPVDRLLLGEGFSDLMHLEMHHRLHPATRLCTDECRILGHSDQCWMPPISSPASSADYRNNMYIPGEESSQPPQLDDDESSVDSENRKSFSTFGKESGNEELDLSGGGGEGGGDAAGGGAGSLLTEMNSVFQRLLPPSYTECTETSPPSSSSATERASSRGGNIAGNYSNNAVPQDSRKGLLPGGKGPAYPPGVAAWAANTHYLNPGNTSVVNNHVSSSSSSPSSSSTSTSTNGQPPHLKWLPAMEEIPENYEEDDFDGVFHQGHQSSKRRDSRHEAGIDTSELAQEINKLLQDVRQN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	46	Very low	51.9	Low	226 Å²	226	151.6 Å²	151.6	100%	1.113	77%	0.766	S	S	*	*				0	106.7	0	-68.4	171.7	74.4	0	0	108.8
2	T	52.3	Low	52.4	Low	156 Å²	156	145.8 Å²	145.8	96%	0.957	74%	0.743	S	S	*	*			trans	-106.4	18.9	-164.1	33.5	0	0	0	0	114.5
3	G	48.9	Very low	52.7	Low	62 Å²	62	138.5 Å²	138.5	64%	0.639	72%	0.719	S	S	*	*	S	Bend	trans	-111.3	-14.8	-170.7	0	0	0	0	0	118.3
4	L	51.4	Low	52.9	Low	136 Å²	136	134.4 Å²	134.4	71%	0.712	70%	0.703	S	S	*	*	S	Bend	trans	-112.2	-7.4	-171.2	-89.5	86.2	0	0	0	116.2
5	F	49.2	Very low	53	Low	173 Å²	173	132.3 Å²	132.3	76%	0.759	70%	0.698	S	S	*	*	S	Bend	trans	-75.7	-33	-179.3	-101.5	-94.4	0	0	0	113.3	T7 R8 M9	F5-T7 VanDerWaalsContact C-N 3.34Å; F5-T7 PolarHBondContact O-N 3.41Å; F5-R8 PolarHBondContact O-N 3.16Å; F5-M9 PolarHBondContact O-N 3.39Å
6	L	53	Low	52.8	Low	149 Å²	149	131.4 Å²	131.4	78%	0.78	69%	0.693	S	S	*	*	H	α-helix	trans	-65.4	-34.4	-172.2	-150.5	71.6	0	0	0	113
7	T	54.3	Low	52.7	Low	100 Å²	100	129.8 Å²	129.8	61%	0.613	69%	0.69	S	S	*	*	H	α-helix	trans	-83	-14.5	-178.5	48.3	0	0	0	0	114.4	F5	F5-T7 VanDerWaalsContact C-N 3.34Å; F5-T7 PolarHBondContact O-N 3.41Å
8	R	52.4	Low	52.3	Low	201 Å²	201	130.9 Å²	130.9	76%	0.758	70%	0.695	S	S	*	*	H	α-helix	trans	-85.8	-40.7	169.7	-78.4	-170.1	171.3	-164	-2.7	112.3	F5 L10 R11 V12	F5-R8 PolarHBondContact O-N 3.16Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 2.93Å; R8-R11 PolarHBondContact O-N 3.46Å; R8-V12 PolarHBondContact O-N 2.76Å; R8-V12 VanDerWaalsContact O-N 3.11Å
9	M	55.6	Low	51.8	Low	132 Å²	132	128.4 Å²	128.4	65%	0.65	69%	0.694	S	S	*	*	H	α-helix	trans	-54.2	-47	176.6	-84.5	-65.2	-160.1	0	0	112.5	F5 R11 V12 A13	F5-M9 PolarHBondContact O-N 3.39Å; M9-R11 VanDerWaalsContact C-N 3.26Å; M9-R11 PolarHBondContact O-N 3.25Å; M9-V12 PolarHBondContact O-N 3.45Å; M9-V12 VanDerWaalsContact O-N 3.11Å; M9-A13 PolarHBondContact O-N 2.92Å
10	L	55	Low	51.1	Low	131 Å²	131	126.2 Å²	126.2	69%	0.686	69%	0.694	S	S	*	*	H	α-helix	trans	-65.3	-27.4	-176.6	-156.3	69.9	0	0	0	113.5	R8 T14	R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 2.93Å; L10-T14 PolarHBondContact O-N 3.34Å; L10-T14 PolarHBondContact O-OG1 3.41Å
11	R	53	Low	50.6	Low	202 Å²	202	127.7 Å²	127.7	76%	0.762	70%	0.696	S	S	*	*	H	α-helix	trans	-84.8	-21.1	174.3	-74.3	-171.8	174	-172.8	-1.4	114.1	R8 M9 T14 V15	R8-R11 PolarHBondContact O-N 3.46Å; M9-R11 VanDerWaalsContact C-N 3.26Å; M9-R11 PolarHBondContact O-N 3.25Å; R11-T14 WeakPolarHBondContact CA-OG1 3.15Å; R11-T14 PolarHBondContact O-OG1 2.88Å; R11-V15 WeakPolarHBondContact O-CG2 3.31Å
12	V	57.2	Low	50.4	Low	81 Å²	81	125.1 Å²	125.1	49%	0.491	68%	0.681	S	S	.	*	H	α-helix	trans	-81.2	-42	172.3	172.7	0	0	0	0	110.6	R8 M9 T14 V15 L16	R8-V12 PolarHBondContact O-N 2.76Å; R8-V12 VanDerWaalsContact O-N 3.11Å; M9-V12 PolarHBondContact O-N 3.45Å; M9-V12 VanDerWaalsContact O-N 3.11Å; V12-T14 VanDerWaalsContact C-N 3.32Å; V12-T14 PolarHBondContact O-N 3.35Å; V12-V15 PolarHBondContact O-N 2.85Å; V12-L16 HydrophobicContact CG1-CD1 4.04Å; V12-L16 PolarHBondContact O-N 3.28Å
13	A	56.2	Low	49.8	Very low	52 Å²	52	124.6 Å²	124.6	43%	0.43	68%	0.678	S	S	.	*	H	α-helix	trans	-58.4	-41.6	175.7	0	0	0	0	0	112.5	M9 V15 L16 V17	M9-A13 PolarHBondContact O-N 2.92Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 3.37Å; A13-L16 PolarHBondContact O-N 2.79Å; A13-V17 WeakPolarHBondContact O-CG2 3.29Å; A13-V17 PolarHBondContact O-N 3.17Å
14	T	55.5	Low	49.8	Very low	80 Å²	80	126.6 Å²	126.6	49%	0.491	68%	0.677	S	S	.	*	H	α-helix	trans	-72.4	-22	179	38.7	0	0	0	0	114.2	L10 R11 V12 L18	L10-T14 PolarHBondContact O-N 3.34Å; L10-T14 PolarHBondContact O-OG1 3.41Å; R11-T14 WeakPolarHBondContact CA-OG1 3.15Å; R11-T14 PolarHBondContact O-OG1 2.88Å; V12-T14 VanDerWaalsContact C-N 3.32Å; V12-T14 PolarHBondContact O-N 3.35Å; T14-L18 WeakPolarHBondContact O-CD1 3.45Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å
15	V	54.3	Low	50	Low	104 Å²	104	123.1 Å²	123.1	63%	0.63	68%	0.675	S	S	*	*	H	α-helix	trans	-83	-38.3	172.5	171.4	0	0	0	0	111.2	R11 V12 A13 L18 A19	R11-V15 WeakPolarHBondContact O-CG2 3.31Å; V12-V15 PolarHBondContact O-N 2.85Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 3.37Å; V15-L18 PolarHBondContact O-N 3.21Å; V15-A19 PolarHBondContact O-N 3.36Å
16	L	49.8	Very low	51	Low	117 Å²	117	118.3 Å²	118.3	61%	0.613	65%	0.653	S	S	*	*	H	α-helix	trans	-67.5	-38.8	177	-89.8	162.2	0	0	0	113.2	V12 A13 L18 A19	V12-L16 HydrophobicContact CG1-CD1 4.04Å; V12-L16 PolarHBondContact O-N 3.28Å; A13-L16 PolarHBondContact O-N 2.79Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 3.22Å; L16-A19 PolarHBondContact O-N 2.71Å
17	V	51.5	Low	52.2	Low	105 Å²	105	115.1 Å²	115.1	64%	0.636	64%	0.64	S	S	*	*	H	α-helix	trans	-65.9	-27.5	177.9	169.9	0	0	0	0	112.5	A13	A13-V17 WeakPolarHBondContact O-CG2 3.29Å; A13-V17 PolarHBondContact O-N 3.17Å
18	L	45.5	Very low	53.5	Low	150 Å²	150	111 Å²	111	79%	0.785	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-9.3	176.5	-70.5	173.5	0	0	0	114.1	T14 V15 L16	T14-L18 WeakPolarHBondContact O-CD1 3.45Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; V15-L18 PolarHBondContact O-N 3.21Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 3.22Å
19	A	42.3	Very low	55.1	Low	82 Å²	82	108.4 Å²	108.4	68%	0.678	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-3.2	177	0	0	0	0	0	113.6	V15 L16	V15-A19 PolarHBondContact O-N 3.36Å; L16-A19 PolarHBondContact O-N 2.71Å
20	A	38.3	Very low	56.6	Low	84 Å²	84	103.7 Å²	103.7	69%	0.694	58%	0.584	S	S	*	*	S	Bend	trans	-104.3	19.6	-171	0	0	0	0	0	114.4
21	Q	40	Very low	58.1	Low	158 Å²	158	103.5 Å²	103.5	74%	0.738	58%	0.579	S	S	*	*	S	Bend	trans	-118	135.8	174.7	-66.4	-172.8	-19.6	0	0	110.2
22	H	42	Very low	59.8	Low	172 Å²	172	94.2 Å²	94.2	80%	0.796	55%	0.545	S	S	*	.			trans	74.1	63.5	-177.6	-60.9	-81.1	0	0	0	118.5
23	V	39.8	Very low	61.2	Low	146 Å²	146	95.5 Å²	95.5	89%	0.885	54%	0.544	S	S	*	.			trans	-130.4	114	132.5	-177.6	0	0	0	0	108.3
24	T	50.4	Low	62.7	Low	103 Å²	103	93.2 Å²	93.2	63%	0.632	52%	0.524	S	S	*	.			trans	-116.6	97.9	176.5	52.2	0	0	0	0	109.6
25	G	55.8	Low	64.2	Low	64 Å²	64	91.8 Å²	91.8	66%	0.66	51%	0.512	S	S	*	.			trans	-69.7	129.8	169.3	0	0	0	0	0	110.3
26	K	68.6	Low	65.7	Low	72 Å²	72	89.4 Å²	89.4	31%	0.313	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.7	173.3	-175.1	-176.1	178.2	-168.4	0	108	L28 D48 V49 V52 F119 H120	K26-L28 HydrophobicContact CD-CD2 3.78Å; K26-L28 VanDerWaalsContact CE-CD2 3.48Å; K26-L28 HydrophobicContact CG-CD2 4.02Å; K26-D48 PolarHBondContact NZ-O 2.81Å; K26-V49 HydrophobicContact CD-CG1 4.42Å; K26-V52 HydrophobicContact CD-CG2 4.31Å; K26-F119 HydrophobicContact CB-CD1 4.28Å; K26-F119 WeakPolarHBondContact O-CA 3.07Å; K26-H120 PolarHBondContact O-N 2.87Å
27	T	78.6	Confident	67.4	Low	82 Å²	82	92 Å²	92	50%	0.503	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.4	167.7	-56.5	0	0	0	0	109.3	H120	T27-H120 CarbonylContact C-O 3.51Å; T27-H120 WeakPolarHBondContact CA-O 3.2Å
28	L	82.3	Confident	69.1	Low	12 Å²	12	91.3 Å²	91.3	6%	0.063	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	177.5	-60.1	172.3	0	0	0	107.9	K26 Y30 L45 V49 F119 H120 V121 E122	K26-L28 HydrophobicContact CD-CD2 3.78Å; K26-L28 VanDerWaalsContact CE-CD2 3.48Å; K26-L28 HydrophobicContact CG-CD2 4.02Å; L28-Y30 HydrophobicContact CB-CE2 3.74Å; L28-L45 HydrophobicContact CD1-CD2 3.33Å; L28-V49 HydrophobicContact CD1-CG2 3.65Å; L28-V49 HydrophobicContact CD2-CG2 4.24Å; L28-F119 HydrophobicContact CD1-CB 3.97Å; L28-F119 HydrophobicContact CD1-CG 4.27Å; L28-H120 PolarHBondContact N-O 3.07Å; L28-V121 WeakPolarHBondContact O-CA 2.96Å; L28-E122 PolarHBondContact O-N 2.61Å
29	K	85.4	Confident	70.8	Confident	148 Å²	148	86.5 Å²	86.5	64%	0.643	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.9	177.1	-76.5	175.5	169.5	-74.2	0	108.7	E122	K29-E122 WeakPolarHBondContact CA-O 3.13Å; K29-E122 HydrophobicContact CG-CB 4.39Å; K29-E122 IonicContact NZ-OE2 3.65Å; K29-E122 PolarHBondContact NZ-OE2 2.93Å
30	Y	86.5	Confident	72.9	Confident	33 Å²	33	84.8 Å²	84.8	13%	0.129	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.5	174	-57.9	-74.5	0	0	0	109.6	L28 I42 A43 L45 D48 I84 V121 E122 V123 E124	L28-Y30 HydrophobicContact CB-CE2 3.74Å; Y30-I42 HydrophobicContact CG-CG2 4.32Å; Y30-A43 HydrophobicContact CD1-CB 3.58Å; Y30-A43 HydrophobicContact CD2-CB 4.09Å; Y30-A43 HydrophobicContact CE1-CB 3.24Å; Y30-A43 HydrophobicContact CE2-CB 3.81Å; Y30-A43 HydrophobicContact CG-CB 3.97Å; Y30-L45 HydrophobicContact CE2-CD2 4.32Å; Y30-D48 WeakPolarHBondContact CE1-OD2 3.18Å; Y30-D48 WeakPolarHBondContact OH-CB 3.28Å; Y30-D48 PolarHBondContact OH-OD2 3.28Å; Y30-I84 HydrophobicContact CD2-CD1 4.38Å; Y30-I84 HydrophobicContact CE2-CD1 4.03Å; Y30-V121 HydrophobicContact CD2-CG1 3.78Å; Y30-V121 HydrophobicContact CE2-CG1 3.91Å; Y30-E122 PolarHBondContact N-O 2.87Å; Y30-V123 CarbonylContact O-C 3.58Å; Y30-V123 WeakPolarHBondContact O-CA 3.32Å; Y30-E124 PolarHBondContact O-N 3.43Å
31	Q	86.8	Confident	75.1	Confident	127 Å²	127	84 Å²	84	59%	0.593	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.4	175.5	-77.9	171.3	-18.6	0	0	108.9	E124 L126	Q31-E124 WeakPolarHBondContact CA-O 3.3Å; Q31-E124 HydrophobicContact CG-CB 4.01Å; Q31-E124 HydrophobicContact CG-CG 4.33Å; Q31-E124 WeakPolarHBondContact CG-OE2 3.43Å; Q31-E124 PolarHBondContact NE2-OE2 3Å; Q31-L126 HydrophobicContact CB-CD1 4.07Å; Q31-L126 HydrophobicContact CB-CG 4.36Å; Q31-L126 HydrophobicContact CG-CD1 4.46Å; Q31-L126 HydrophobicContact CG-CD2 4.44Å
32	I	89.7	Confident	77.3	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.6	167.6	60.2	179	0	0	0	108.9	I42 I86 I90 V123 E124 V125 L126	I32-I42 HydrophobicContact CD1-CD1 4.15Å; I32-I42 HydrophobicContact CG2-CB 4.11Å; I32-I42 HydrophobicContact CG2-CD1 3.61Å; I32-I42 HydrophobicContact CG2-CG1 3.61Å; I32-I42 HydrophobicContact CG2-CG2 3.61Å; I32-I86 HydrophobicContact CD1-CD1 4.4Å; I32-I90 HydrophobicContact CD1-CD1 3.55Å; I32-V123 HydrophobicContact CB-CG1 4.5Å; I32-V123 HydrophobicContact CD1-CG1 3.78Å; I32-V123 HydrophobicContact CG1-CG1 3.79Å; I32-V123 HydrophobicContact CG2-CG1 4.07Å; I32-E124 PolarHBondContact N-O 3.19Å; I32-V125 HydrophobicContact CD1-CG2 4.39Å; I32-V125 HydrophobicContact CG1-CG2 4.38Å; I32-L126 VanDerWaalsContact O-CB 3.32Å; I32-L126 WeakPolarHBondContact O-CB 3.37Å; I32-L126 WeakPolarHBondContact O-CG 3.26Å; I32-L126 PolarHBondContact O-N 3.45Å
33	F	86.2	Confident	79.3	Confident	108 Å²	108	70 Å²	70	47%	0.474	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	149.2	155.7	-60.6	-81.5	0	0	0	108.3	Q36 L126 I128	F33-Q36 HydrophobicContact CB-CG 4.3Å; F33-Q36 VanDerWaalsContact O-CD 3.3Å; F33-Q36 VanDerWaalsContact O-CG 3.27Å; F33-Q36 WeakPolarHBondContact O-CG 3.27Å; F33-L126 WeakPolarHBondContact CA-O 3.41Å; F33-L126 HydrophobicContact CD1-CB 3.7Å; F33-L126 HydrophobicContact CD1-CD1 4.29Å; F33-L126 HydrophobicContact CE1-CB 3.94Å; F33-L126 HydrophobicContact CE1-CD1 3.88Å; F33-L126 HydrophobicContact CG-CB 4.41Å; F33-L126 HydrophobicContact CZ-CD1 4Å; F33-I128 HydrophobicContact CB-CG2 4.01Å; F33-I128 HydrophobicContact CD1-CG2 3.8Å; F33-I128 HydrophobicContact CG-CG2 4.27Å
34	E	88.2	Confident	81.4	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.019	37%	0.365	C	S	.	.	S	Bend	trans	-65.7	-176.9	164.2	70.8	-176.1	116.5	0	0	112.4	Q36 I90 R92 V125 L126 D127 I128	E34-Q36 PolarHBondContact O-N 3.21Å; E34-I90 HydrophobicContact CB-CG2 4.4Å; E34-R92 HydrophobicContact CB-CB 4.36Å; E34-R92 HydrophobicContact CG-CB 4.5Å; E34-R92 VanDerWaalsContact OE1-CB 3.29Å; E34-R92 WeakPolarHBondContact OE1-CB 3.48Å; E34-R92 IonicContact OE1-NE 3.69Å; E34-R92 WeakPolarHBondContact OE2-CB 3.42Å; E34-R92 PolarHBondContact OE2-N 3.48Å; E34-V125 HydrophobicContact CB-CG1 3.82Å; E34-L126 PolarHBondContact N-O 3.15Å; E34-L126 VanDerWaalsContact N-O 3.1Å; E34-D127 VanDerWaalsContact OE1-CA 3.3Å; E34-D127 WeakPolarHBondContact OE1-CA 3.29Å; E34-I128 HydrophobicContact CG-CG1 3.86Å; E34-I128 HydrophobicContact CG-CG2 4.45Å; E34-I128 PolarHBondContact OE1-N 3.46Å
35	E	85.9	Confident	82.9	Confident	51 Å²	51	63.5 Å²	63.5	24%	0.238	34%	0.335	C	S	.	.	S	Bend	trans	59	-3.9	177.7	-74.3	-67.2	101.6	0	0	115.9	K89 I90 I128	E35-K89 WeakPolarHBondContact OE1-CE 3.43Å; E35-K89 IonicContact OE1-NZ 2.77Å; E35-K89 PolarHBondContact OE1-NZ 3.44Å; E35-K89 WeakPolarHBondContact OE2-CE 3.38Å; E35-K89 IonicContact OE2-NZ 3.76Å; E35-K89 PolarHBondContact OE2-NZ 3.34Å; E35-I90 PolarHBondContact N-O 2.65Å; E35-I128 HydrophobicContact CB-CD1 3.71Å; E35-I128 HydrophobicContact CG-CD1 3.93Å; E35-I128 HydrophobicContact CG-CG1 4.49Å
36	Q	86.6	Confident	83.9	Confident	53 Å²	53	64.6 Å²	64.6	25%	0.248	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.8	146.1	179.5	-75.2	-173.3	10.1	0	0	112	F33 E34 V38 I86	F33-Q36 HydrophobicContact CB-CG 4.3Å; F33-Q36 VanDerWaalsContact O-CD 3.3Å; F33-Q36 VanDerWaalsContact O-CG 3.27Å; F33-Q36 WeakPolarHBondContact O-CG 3.27Å; E34-Q36 PolarHBondContact O-N 3.21Å; Q36-V38 PolarHBondContact O-N 3.37Å; Q36-I86 HydrophobicContact CB-CD1 3.49Å; Q36-I86 VanDerWaalsContact CB-CD1 3.49Å; Q36-I86 HydrophobicContact CG-CD1 4.5Å
37	K	85.4	Confident	84.4	Confident	172 Å²	172	65.5 Å²	65.5	75%	0.748	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-61.2	135.9	-175.5	-65.6	176.6	-178.6	174.2	0	110.7	G39 T40	K37-G39 PolarHBondContact O-N 2.98Å; K37-T40 VanDerWaalsContact O-CB 3.26Å; K37-T40 WeakPolarHBondContact O-CB 3.31Å; K37-T40 PolarHBondContact O-N 2.9Å; K37-T40 PolarHBondContact O-OG1 2.9Å
38	V	86.1	Confident	84.4	Confident	91 Å²	91	64.9 Å²	64.9	55%	0.552	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	132.8	170.8	176.5	0	0	0	0	109.5	Q36 R87	Q36-V38 PolarHBondContact O-N 3.37Å; V38-R87 WeakPolarHBondContact CG1-O 3.35Å
39	G	81.2	Confident	84	Confident	49 Å²	49	64.3 Å²	64.3	51%	0.505	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-4.4	-170.8	0	0	0	0	0	115.2	K37 V41 I86	K37-G39 PolarHBondContact O-N 2.98Å; G39-V41 PolarHBondContact O-N 3.41Å; G39-I86 PolarHBondContact N-O 2.79Å
40	T	86.6	Confident	83.2	Confident	46 Å²	46	59.6 Å²	59.6	28%	0.282	31%	0.307	S	S	.	.			trans	-62.4	133.8	172.6	-57	0	0	0	0	110.1	K37 S85 I86	K37-T40 VanDerWaalsContact O-CB 3.26Å; K37-T40 WeakPolarHBondContact O-CB 3.31Å; K37-T40 PolarHBondContact O-N 2.9Å; K37-T40 PolarHBondContact O-OG1 2.9Å; T40-S85 CarbonylContact O-C 3.55Å; T40-S85 WeakPolarHBondContact O-CA 3.38Å; T40-I86 PolarHBondContact O-N 2.76Å
41	V	85.8	Confident	82.3	Confident	66 Å²	66	63.9 Å²	63.9	40%	0.4	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.4	-178.4	176.8	0	0	0	0	109.8	G39 E83	G39-V41 PolarHBondContact O-N 3.41Å; V41-E83 HydrophobicContact CB-CG 4.33Å; V41-E83 HydrophobicContact CG1-CG 3.47Å; V41-E83 VanDerWaalsContact CG1-CG 3.47Å; V41-E83 HydrophobicContact CG2-CG 3.98Å; V41-E83 VanDerWaalsContact CG2-OE1 3.27Å; V41-E83 WeakPolarHBondContact CG2-OE1 3.4Å
42	I	85.3	Confident	81.4	Confident	28 Å²	28	59 Å²	59	14%	0.144	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-47.2	179.8	-53.8	-173.8	0	0	0	110.4	Y30 I32 L75 I84 I86 V123	Y30-I42 HydrophobicContact CG-CG2 4.32Å; I32-I42 HydrophobicContact CD1-CD1 4.15Å; I32-I42 HydrophobicContact CG2-CB 4.11Å; I32-I42 HydrophobicContact CG2-CD1 3.61Å; I32-I42 HydrophobicContact CG2-CG1 3.61Å; I32-I42 HydrophobicContact CG2-CG2 3.61Å; I42-L75 HydrophobicContact CD1-CD1 4.27Å; I42-L75 HydrophobicContact CD1-CD2 3.45Å; I42-L75 VanDerWaalsContact CD1-CD2 3.45Å; I42-L75 HydrophobicContact CD1-CG 4.48Å; I42-I84 HydrophobicContact CB-CB 4.27Å; I42-I84 HydrophobicContact CB-CG2 4.23Å; I42-I84 HydrophobicContact CD1-CG2 4.06Å; I42-I84 HydrophobicContact CG1-CG2 4.44Å; I42-I84 PolarHBondContact N-O 2.02Å; I42-I86 HydrophobicContact CD1-CG1 4.04Å; I42-I86 HydrophobicContact CG1-CG1 4.26Å; I42-V123 HydrophobicContact CD1-CG1 4.26Å; I42-V123 HydrophobicContact CG2-CG1 4.48Å
43	A	83.4	Confident	80.3	Confident	9 Å²	9	59.9 Å²	59.9	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	165.9	-167.7	0	0	0	0	0	111.9	Y30 E83 I84	Y30-A43 HydrophobicContact CD1-CB 3.58Å; Y30-A43 HydrophobicContact CD2-CB 4.09Å; Y30-A43 HydrophobicContact CE1-CB 3.24Å; Y30-A43 HydrophobicContact CE2-CB 3.81Å; Y30-A43 HydrophobicContact CG-CB 3.97Å; A43-E83 WeakPolarHBondContact O-CA 2.89Å; A43-I84 HydrophobicContact CB-CB 4.44Å; A43-I84 HydrophobicContact CB-CD1 4.18Å; A43-I84 HydrophobicContact CB-CG1 4.46Å; A43-I84 PolarHBondContact O-N 2.88Å
44	R	85	Confident	79.1	Confident	112 Å²	112	58.8 Å²	58.8	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	99.5	173	-74.2	-176.4	177.3	156.8	3.8	110.1	R46 D47 D48 E83	R44-R46 PolarHBondContact O-N 2.85Å; R44-R46 VanDerWaalsContact O-N 3.09Å; R44-D47 HydrophobicContact CB-CB 4.23Å; R44-D47 WeakPolarHBondContact CB-OD2 3.25Å; R44-D47 VanDerWaalsContact CD-OD2 3.29Å; R44-D47 WeakPolarHBondContact CD-OD2 3.41Å; R44-D47 PolarHBondContact O-N 2.93Å; R44-D48 PolarHBondContact N-OD2 3.21Å; R44-D48 PolarHBondContact O-N 3.42Å; R44-E83 HydrophobicContact CG-CB 4.16Å; R44-E83 HydrophobicContact CG-CG 4.02Å; R44-E83 IonicContact CZ-OE2 2.88Å; R44-E83 IonicContact NE-OE2 3.81Å; R44-E83 PolarHBondContact NE-OE2 2.6Å; R44-E83 IonicContact NH2-OE2 2.61Å; R44-E83 PolarHBondContact NH2-OE2 2.92Å
45	L	81.4	Confident	77.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.4	-176.5	-62.5	168.8	0	0	0	113.5	L28 Y30 D47 V49 F64 V77 G82 I84 V108 V121	L28-L45 HydrophobicContact CD1-CD2 3.33Å; Y30-L45 HydrophobicContact CE2-CD2 4.32Å; L45-D47 VanDerWaalsContact C-N 3.31Å; L45-V49 VanDerWaalsContact O-CB 3.23Å; L45-V49 WeakPolarHBondContact O-CB 3.43Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.01Å; L45-F64 HydrophobicContact CB-CD1 3.93Å; L45-F64 HydrophobicContact CB-CE1 3.75Å; L45-F64 HydrophobicContact CB-CZ 4.43Å; L45-F64 HydrophobicContact CD1-CD1 4.29Å; L45-V77 HydrophobicContact CD1-CG1 4.23Å; L45-G82 WeakPolarHBondContact CG-O 2.98Å; L45-G82 PolarHBondContact N-O 2.87Å; L45-I84 HydrophobicContact CD1-CD1 4.07Å; L45-I84 HydrophobicContact CD1-CG1 4.11Å; L45-I84 HydrophobicContact CD2-CD1 4.02Å; L45-I84 HydrophobicContact CG-CD1 3.99Å; L45-I84 HydrophobicContact CG-CG1 4.16Å; L45-V108 HydrophobicContact CD1-CB 3.97Å; L45-V108 HydrophobicContact CD1-CG1 3.7Å; L45-V108 HydrophobicContact CD1-CG2 3.94Å; L45-V121 HydrophobicContact CD2-CG2 4.22Å
46	R	77.4	Confident	76.8	Confident	87 Å²	87	65.9 Å²	65.9	33%	0.328	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-36.8	170.8	176.9	176.8	-67.4	-70.5	-2	112.9	R44 L62 F64 Q80 D81	R44-R46 PolarHBondContact O-N 2.85Å; R44-R46 VanDerWaalsContact O-N 3.09Å; R46-L62 PolarHBondContact NH2-O 2.94Å; R46-F64 HydrophobicContact CB-CE2 4Å; R46-F64 HydrophobicContact CB-CZ 4.02Å; R46-Q80 PolarHBondContact NH2-O 2.88Å; R46-D81 HydrophobicContact CB-CB 4.44Å; R46-D81 WeakPolarHBondContact CB-O 3.45Å; R46-D81 PolarHBondContact N-O 2.84Å; R46-D81 VanDerWaalsContact N-O 3.1Å
47	D	78.3	Confident	75.5	Confident	91 Å²	91	66.7 Å²	66.7	49%	0.487	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-47.8	-172.1	-55	-29.4	0	0	0	110	R44 L45 V49 A50	R44-D47 HydrophobicContact CB-CB 4.23Å; R44-D47 WeakPolarHBondContact CB-OD2 3.25Å; R44-D47 VanDerWaalsContact CD-OD2 3.29Å; R44-D47 WeakPolarHBondContact CD-OD2 3.41Å; R44-D47 PolarHBondContact O-N 2.93Å; L45-D47 VanDerWaalsContact C-N 3.31Å; D47-V49 PolarHBondContact O-N 2.83Å; D47-A50 VanDerWaalsContact O-CB 3.32Å; D47-A50 WeakPolarHBondContact O-CB 3.46Å; D47-A50 PolarHBondContact O-N 3.32Å; D47-A50 VanDerWaalsContact O-N 3.13Å
48	D	78.1	Confident	74.1	Confident	69 Å²	69	65 Å²	65	37%	0.369	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.9	-180	-56.4	-37	0	0	0	114.4	K26 Y30 R44	K26-D48 PolarHBondContact NZ-O 2.81Å; Y30-D48 WeakPolarHBondContact CE1-OD2 3.18Å; Y30-D48 WeakPolarHBondContact OH-CB 3.28Å; Y30-D48 PolarHBondContact OH-OD2 3.28Å; R44-D48 PolarHBondContact N-OD2 3.21Å; R44-D48 PolarHBondContact O-N 3.42Å
49	V	75.1	Confident	72.7	Confident	0 Å²	0	66 Å²	66	0%	0	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	11.2	-177.3	-164	0	0	0	0	111.7	K26 L28 L45 D47 D51 V52 L53 F119	K26-V49 HydrophobicContact CD-CG1 4.42Å; L28-V49 HydrophobicContact CD1-CG2 3.65Å; L28-V49 HydrophobicContact CD2-CG2 4.24Å; L45-V49 VanDerWaalsContact O-CB 3.23Å; L45-V49 WeakPolarHBondContact O-CB 3.43Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.01Å; D47-V49 PolarHBondContact O-N 2.83Å; V49-D51 PolarHBondContact O-N 3.48Å; V49-V52 HydrophobicContact CG1-CB 3.76Å; V49-V52 HydrophobicContact CG1-CG2 3.66Å; V49-V52 PolarHBondContact O-N 3.01Å; V49-L53 PolarHBondContact O-N 2.91Å; V49-L53 VanDerWaalsContact O-N 3.12Å; V49-F119 HydrophobicContact CB-CZ 4.47Å; V49-F119 HydrophobicContact CG1-CD1 4.32Å; V49-F119 HydrophobicContact CG1-CE1 3.58Å; V49-F119 HydrophobicContact CG1-CE2 4.41Å; V49-F119 HydrophobicContact CG1-CZ 3.62Å
50	A	68.9	Low	71.9	Confident	49 Å²	49	66 Å²	66	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-47.1	-40	-178.3	0	0	0	0	0	114	D47 V52 L53 A54	D47-A50 VanDerWaalsContact O-CB 3.32Å; D47-A50 WeakPolarHBondContact O-CB 3.46Å; D47-A50 PolarHBondContact O-N 3.32Å; D47-A50 VanDerWaalsContact O-N 3.13Å; A50-V52 VanDerWaalsContact C-N 3.26Å; A50-V52 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 2.83Å; A50-A54 VanDerWaalsContact O-CB 3.23Å; A50-A54 WeakPolarHBondContact O-CB 3.42Å; A50-A54 PolarHBondContact O-N 2.54Å
51	D	66.4	Low	70.8	Confident	124 Å²	124	68.7 Å²	68.7	66%	0.663	40%	0.4	S	S	*	.	H	α-helix	trans	-62	-25.9	177.6	-59.8	-37.3	0	0	0	115.2	V49 K55	V49-D51 PolarHBondContact O-N 3.48Å; D51-K55 WeakPolarHBondContact O-CE 3.42Å
52	V	68.9	Low	70.2	Confident	25 Å²	25	66.1 Å²	66.1	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-96.8	-23.2	179.6	-153.1	0	0	0	0	110.7	K26 V49 A50 Q117	K26-V52 HydrophobicContact CD-CG2 4.31Å; V49-V52 HydrophobicContact CG1-CB 3.76Å; V49-V52 HydrophobicContact CG1-CG2 3.66Å; V49-V52 PolarHBondContact O-N 3.01Å; A50-V52 VanDerWaalsContact C-N 3.26Å; A50-V52 PolarHBondContact O-N 3.39Å; V52-Q117 VanDerWaalsContact CG1-OE1 3.29Å; V52-Q117 PolarHBondContact O-NE2 2.82Å; V52-Q117 VanDerWaalsContact O-NE2 3.08Å
53	L	66	Low	69.7	Low	23 Å²	23	71.5 Å²	71.5	12%	0.12	40%	0.402	C	S	.	.	H	α-helix	trans	-79.9	-33	170.8	-54.3	-170.3	0	0	0	112.1	V49 A50 K55 L56 L62 F64	V49-L53 PolarHBondContact O-N 2.91Å; V49-L53 VanDerWaalsContact O-N 3.12Å; A50-L53 PolarHBondContact O-N 2.83Å; L53-K55 PolarHBondContact O-N 2.99Å; L53-K55 VanDerWaalsContact O-N 3.17Å; L53-L56 HydrophobicContact CD2-CD1 4.48Å; L53-L56 WeakPolarHBondContact O-CB 3.28Å; L53-L56 PolarHBondContact O-N 2.94Å; L53-L62 HydrophobicContact CD1-CD1 4.47Å; L53-L62 HydrophobicContact CD2-CD1 3.86Å; L53-F64 HydrophobicContact CD1-CZ 4.09Å
54	A	61	Low	69.6	Low	85 Å²	85	71.1 Å²	71.1	70%	0.702	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.3	175.4	0	0	0	0	0	113.8	A50	A50-A54 VanDerWaalsContact O-CB 3.23Å; A50-A54 WeakPolarHBondContact O-CB 3.42Å; A50-A54 PolarHBondContact O-N 2.54Å
55	K	61.4	Low	69.4	Low	168 Å²	168	72.5 Å²	72.5	73%	0.73	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.9	171.8	-66.8	170.3	-173.6	167.2	0	112.9	D51 L53	D51-K55 WeakPolarHBondContact O-CE 3.42Å; L53-K55 PolarHBondContact O-N 2.99Å; L53-K55 VanDerWaalsContact O-N 3.17Å
56	L	63.8	Low	69.2	Low	36 Å²	36	73.9 Å²	73.9	19%	0.188	42%	0.416	C	S	.	.	S	Bend	trans	-95.6	151.3	172.7	-64.9	171.3	0	0	0	110.1	L53 S58 L62 H115	L53-L56 HydrophobicContact CD2-CD1 4.48Å; L53-L56 WeakPolarHBondContact O-CB 3.28Å; L53-L56 PolarHBondContact O-N 2.94Å; L56-S58 PolarHBondContact O-N 3.27Å; L56-L62 HydrophobicContact CD1-CD1 3.76Å; L56-L62 HydrophobicContact CD1-CD2 4.17Å; L56-H115 HydrophobicContact CD1-CB 4.29Å; L56-H115 HydrophobicContact CD2-CB 3.93Å
57	P	60.9	Low	69	Low	71 Å²	71	73.7 Å²	73.7	46%	0.461	42%	0.42	S	S	.	.			trans	-62.1	132.6	179.2	24.7	-33.3	0	0	0	111.3	S59 V60	P57-S59 PolarHBondContact O-N 2.78Å; P57-V60 HydrophobicContact CG-CG2 4.1Å; P57-V60 PolarHBondContact O-N 2.96Å
58	S	55.8	Low	68.2	Low	137 Å²	137	77.2 Å²	77.2	96%	0.958	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	12.7	-172.5	48.7	0	0	0	0	115.7	L56	L56-S58 PolarHBondContact O-N 3.27Å
59	S	56.3	Low	67.1	Low	110 Å²	110	83 Å²	83	77%	0.769	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	0.9	176.1	52.9	0	0	0	0	114.2	P57	P57-S59 PolarHBondContact O-N 2.78Å
60	V	63.9	Low	66.1	Low	49 Å²	49	86.8 Å²	86.8	30%	0.297	49%	0.488	S	S	.	.			trans	-105.9	122.2	-172.5	-177.7	0	0	0	0	113	P57 L62 P112	P57-V60 HydrophobicContact CG-CG2 4.1Å; P57-V60 PolarHBondContact O-N 2.96Å; V60-L62 HydrophobicContact CG1-CD2 4.2Å; V60-L62 HydrophobicContact CG1-CG 4.42Å; V60-L62 PolarHBondContact O-N 2.87Å; V60-L62 VanDerWaalsContact O-N 3.14Å; V60-P112 HydrophobicContact CG1-CG 4.37Å
61	S	64.4	Low	65.5	Low	103 Å²	103	86.5 Å²	86.5	72%	0.72	48%	0.483	S	S	*	.			trans	-81.7	86	174	60.2	0	0	0	0	111.8
62	L	71.6	Confident	65.1	Low	12 Å²	12	81.5 Å²	81.5	6%	0.063	46%	0.458	C	S	.	.			trans	-66.4	137.1	177	-64.6	167.6	0	0	0	112.5	R46 L53 L56 V60 L111 H115	R46-L62 PolarHBondContact NH2-O 2.94Å; L53-L62 HydrophobicContact CD1-CD1 4.47Å; L53-L62 HydrophobicContact CD2-CD1 3.86Å; L56-L62 HydrophobicContact CD1-CD1 3.76Å; L56-L62 HydrophobicContact CD1-CD2 4.17Å; V60-L62 HydrophobicContact CG1-CD2 4.2Å; V60-L62 HydrophobicContact CG1-CG 4.42Å; V60-L62 PolarHBondContact O-N 2.87Å; V60-L62 VanDerWaalsContact O-N 3.14Å; L62-L111 WeakPolarHBondContact CA-O 3.41Å; L62-H115 HydrophobicContact CD2-CB 4.46Å
63	R	75.9	Confident	65	Low	142 Å²	142	83 Å²	83	54%	0.536	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148	167.5	-80.3	-176.6	-86.5	173.5	-9.5	111	E79 T110 L111	R63-E79 CarbonylContact C-O 3.52Å; R63-E79 VanDerWaalsContact CA-O 3.23Å; R63-E79 WeakPolarHBondContact CA-O 3.21Å; R63-E79 WeakPolarHBondContact CB-O 3.46Å; R63-E79 WeakPolarHBondContact CG-O 3.3Å; R63-T110 CarbonylContact O-C 3.58Å; R63-T110 WeakPolarHBondContact O-CA 3.45Å; R63-L111 PolarHBondContact N-O 2.75Å; R63-L111 PolarHBondContact O-N 3.48Å
64	F	80.9	Confident	65.5	Low	0 Å²	0	84.3 Å²	84.3	0%	0	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.5	179.5	-61.8	-98.2	0	0	0	110.2	L45 R46 L53 V77 E79 D81 G82 V108 T110 F119	L45-F64 HydrophobicContact CB-CD1 3.93Å; L45-F64 HydrophobicContact CB-CE1 3.75Å; L45-F64 HydrophobicContact CB-CZ 4.43Å; L45-F64 HydrophobicContact CD1-CD1 4.29Å; R46-F64 HydrophobicContact CB-CE2 4Å; R46-F64 HydrophobicContact CB-CZ 4.02Å; L53-F64 HydrophobicContact CD1-CZ 4.09Å; F64-V77 HydrophobicContact CB-CG1 4.47Å; F64-E79 PolarHBondContact N-O 2.95Å; F64-E79 VanDerWaalsContact O-CA 3.24Å; F64-E79 WeakPolarHBondContact O-CA 3.45Å; F64-D81 VanDerWaalsContact CD2-C 3.49Å; F64-G82 VanDerWaalsContact CD2-N 3.29Å; F64-V108 HydrophobicContact CB-CG1 4.14Å; F64-V108 HydrophobicContact CD1-CG1 4.41Å; F64-T110 HydrophobicContact CD1-CG2 4.15Å; F64-T110 HydrophobicContact CE1-CG2 4.09Å; F64-F119 HydrophobicContact CD1-CE2 4.45Å; F64-F119 HydrophobicContact CE1-CE2 4.04Å
65	R	80.4	Confident	66.6	Low	141 Å²	141	80.8 Å²	80.8	53%	0.532	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.1	174.6	177.9	169.9	175.9	154.2	-2.3	111.4	L109	R65-L109 HydrophobicContact CB-CD1 3.95Å; R65-L109 HydrophobicContact CG-CD1 4.47Å; R65-L109 PolarHBondContact N-O 3.35Å; R65-L109 WeakPolarHBondContact O-CD1 3.25Å; R65-L109 PolarHBondContact O-N 2.97Å
66	A	78	Confident	67.6	Low	30 Å²	30	74.4 Å²	74.4	25%	0.248	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.5	175.3	0	0	0	0	0	111.5	V77 F106 D107 V108	A66-V77 HydrophobicContact CB-CB 4.36Å; A66-V77 HydrophobicContact CB-CG2 3.96Å; A66-F106 HydrophobicContact CB-CD2 4.45Å; A66-D107 WeakPolarHBondContact CA-O 3.27Å; A66-V108 HydrophobicContact CB-CG2 4.4Å
67	M	73.6	Confident	68.5	Low	83 Å²	83	74 Å²	74	41%	0.409	42%	0.421	S	S	.	.			trans	-83.8	121.5	168.7	-61.9	-173.3	65.9	0	0	108.9	R69 D107 L109 L118	M67-R69 PolarHBondContact O-N 2.85Å; M67-D107 HydrophobicContact CB-CB 4.19Å; M67-D107 HydrophobicContact CG-CB 4.21Å; M67-D107 PolarHBondContact N-O 3.09Å; M67-D107 HydrophobicContact SD-CB 3.93Å; M67-L109 HydrophobicContact CG-CD2 3.73Å; M67-L109 HydrophobicContact CG-CG 3.94Å; M67-L109 HydrophobicContact SD-CD2 3.78Å; M67-L109 HydrophobicContact SD-CG 4.38Å; M67-L118 HydrophobicContact SD-CD1 3.86Å
68	Q	61.2	Low	69.6	Low	164 Å²	164	75 Å²	75	77%	0.766	42%	0.416	S	S	*	.			trans	-76.6	93.6	179.7	-67.6	-170.1	-76.1	0	0	111.3
69	R	54.4	Low	70.8	Confident	192 Å²	192	72.6 Å²	72.6	73%	0.725	39%	0.389	S	S	*	.			trans	-113.4	142.8	155.9	-95.1	-179.5	162.4	-175.4	-6.2	108.6	M67 S71 S72	M67-R69 PolarHBondContact O-N 2.85Å; R69-S71 PolarHBondContact O-N 3.2Å; R69-S72 PolarHBondContact O-N 3.13Å
70	G	54	Low	71.9	Confident	78 Å²	78	74.4 Å²	74.4	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.8	-102.7	166.2	0	0	0	0	0	115.5	S72	G70-S72 PolarHBondContact O-N 2.86Å
71	S	55.8	Low	72.5	Confident	43 Å²	43	73.5 Å²	73.5	30%	0.301	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	6.1	-166.8	-46.3	0	0	0	0	116.9	R69 S73 F74	R69-S71 PolarHBondContact O-N 3.2Å; S71-S73 PolarHBondContact O-N 2.93Å; S71-F74 PolarHBondContact O-N 3.39Å
72	S	58.4	Low	73.1	Confident	19 Å²	19	68.6 Å²	68.6	13%	0.133	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	11.7	174.9	64.6	0	0	0	0	115.9	R69 G70	R69-S72 PolarHBondContact O-N 3.13Å; G70-S72 PolarHBondContact O-N 2.86Å
73	S	66.6	Low	73.7	Confident	56 Å²	56	68.6 Å²	68.6	39%	0.392	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-41.5	168.9	46.3	0	0	0	0	112.8	S71 R87	S71-S73 PolarHBondContact O-N 2.93Å; S73-R87 WeakPolarHBondContact O-CD 3.49Å
74	F	77.5	Confident	74.2	Confident	51 Å²	51	61.9 Å²	61.9	22%	0.224	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-27.2	-170.1	-62.1	-78.5	0	0	0	113.6	S71 R87 T88 I90 L95 I104	S71-F74 PolarHBondContact O-N 3.39Å; F74-R87 WeakPolarHBondContact O-CA 3.23Å; F74-R87 WeakPolarHBondContact O-CB 3.47Å; F74-R87 PolarHBondContact O-N 2.89Å; F74-T88 WeakPolarHBondContact CD1-OG1 3.4Å; F74-T88 PolarHBondContact O-N 3Å; F74-I90 HydrophobicContact CB-CD1 4.18Å; F74-I90 HydrophobicContact CB-CG1 4.04Å; F74-I90 HydrophobicContact CD1-CG1 4.06Å; F74-I90 HydrophobicContact CG-CG1 4.37Å; F74-L95 HydrophobicContact CE2-CD1 3.99Å; F74-L95 HydrophobicContact CZ-CD1 4.13Å; F74-I104 HydrophobicContact CB-CD1 4.32Å
75	L	84.3	Confident	74.5	Confident	11 Å²	11	63 Å²	63	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144	-172	-58.7	-179.7	0	0	0	111.4	I42 I84 S85 I86 I90 I104 F106 V123	I42-L75 HydrophobicContact CD1-CD1 4.27Å; I42-L75 HydrophobicContact CD1-CD2 3.45Å; I42-L75 VanDerWaalsContact CD1-CD2 3.45Å; I42-L75 HydrophobicContact CD1-CG 4.48Å; L75-I84 HydrophobicContact CD1-CG2 4.48Å; L75-S85 WeakPolarHBondContact CA-O 3.42Å; L75-I86 HydrophobicContact CD2-CG1 4.21Å; L75-I90 HydrophobicContact CD2-CD1 3.96Å; L75-I104 HydrophobicContact CD1-CG2 3.87Å; L75-I104 HydrophobicContact CG-CG2 4.5Å; L75-F106 HydrophobicContact CD1-CD1 4.32Å; L75-F106 HydrophobicContact CD1-CE1 3.53Å; L75-F106 HydrophobicContact CD1-CZ 4.13Å; L75-V123 HydrophobicContact CD1-CB 4.18Å; L75-V123 HydrophobicContact CD1-CG1 4.44Å; L75-V123 HydrophobicContact CD1-CG2 3.85Å
76	A	82.6	Confident	74.8	Confident	34 Å²	34	56.4 Å²	56.4	28%	0.281	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.9	175.3	0	0	0	0	0	110.5	S85 R87	A76-S85 PolarHBondContact N-O 2.91Å; A76-S85 PolarHBondContact O-N 3.22Å; A76-S85 PolarHBondContact O-OG 2.84Å; A76-R87 HydrophobicContact CB-CB 4.01Å; A76-R87 HydrophobicContact CB-CG 4.32Å
77	V	83.1	Confident	75.1	Confident	27 Å²	27	61.9 Å²	61.9	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.5	176.8	-174	0	0	0	0	109.2	L45 F64 A66 E83 I84 F106 V108	L45-V77 HydrophobicContact CD1-CG1 4.23Å; F64-V77 HydrophobicContact CB-CG1 4.47Å; A66-V77 HydrophobicContact CB-CB 4.36Å; A66-V77 HydrophobicContact CB-CG2 3.96Å; V77-E83 CarbonylContact C-O 3.54Å; V77-E83 WeakPolarHBondContact CA-O 3.33Å; V77-I84 HydrophobicContact CG2-CG1 4.26Å; V77-F106 HydrophobicContact CG2-CE2 3.78Å; V77-F106 HydrophobicContact CG2-CZ 4.42Å; V77-V108 HydrophobicContact CG1-CG1 4.32Å; V77-V108 HydrophobicContact CG2-CG2 4.19Å
78	R	83.8	Confident	75.6	Confident	94 Å²	94	60.8 Å²	60.8	36%	0.355	31%	0.314	S	S	.	.			trans	-74.3	124.8	178.9	-179.7	163.3	64.9	-134.9	5.9	110.8	Q80 D81 G82 E83	R78-Q80 HydrophobicContact CG-CB 4.47Å; R78-Q80 PolarHBondContact O-N 3.26Å; R78-Q80 VanDerWaalsContact O-N 3.13Å; R78-D81 WeakPolarHBondContact CB-OD1 3.48Å; R78-D81 WeakPolarHBondContact CG-OD1 3.25Å; R78-D81 IonicContact CZ-OD1 3.88Å; R78-D81 IonicContact CZ-OD2 2.66Å; R78-D81 VanDerWaalsContact CZ-OD2 3.31Å; R78-D81 IonicContact NE-OD1 3.33Å; R78-D81 PolarHBondContact NE-OD1 3.05Å; R78-D81 IonicContact NE-OD2 2.77Å; R78-D81 PolarHBondContact NE-OD2 2.85Å; R78-D81 VanDerWaalsContact NE-OD2 3.1Å; R78-D81 IonicContact NH2-OD1 3.13Å; R78-D81 IonicContact NH2-OD2 3.85Å; R78-D81 PolarHBondContact NH2-OD2 2.85Å; R78-G82 VanDerWaalsContact O-CA 3.3Å; R78-G82 WeakPolarHBondContact O-CA 3.37Å; R78-G82 PolarHBondContact O-N 3.43Å; R78-E83 HydrophobicContact CB-CB 4.17Å; R78-E83 VanDerWaalsContact CZ-CD 3.46Å; R78-E83 IonicContact CZ-OE1 2.78Å; R78-E83 IonicContact CZ-OE2 3.35Å; R78-E83 PolarHBondContact N-O 2.83Å; R78-E83 IonicContact NH1-OE1 3.1Å; R78-E83 PolarHBondContact NH1-OE1 2.98Å; R78-E83 IonicContact NH1-OE2 2.74Å; R78-E83 IonicContact NH2-OE1 2.79Å; R78-E83 PolarHBondContact NH2-OE1 2.97Å; R78-E83 VanDerWaalsContact NH2-OE1 3.08Å; R78-E83 IonicContact NH2-OE2 2.66Å; R78-E83 PolarHBondContact NH2-OE2 2.93Å
79	E	81	Confident	76.8	Confident	86 Å²	86	58.8 Å²	58.8	40%	0.402	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.9	-172	-63.4	-161.3	156.4	0	0	114.8	R63 F64	R63-E79 CarbonylContact C-O 3.52Å; R63-E79 VanDerWaalsContact CA-O 3.23Å; R63-E79 WeakPolarHBondContact CA-O 3.21Å; R63-E79 WeakPolarHBondContact CB-O 3.46Å; R63-E79 WeakPolarHBondContact CG-O 3.3Å; F64-E79 PolarHBondContact N-O 2.95Å; F64-E79 VanDerWaalsContact O-CA 3.24Å; F64-E79 WeakPolarHBondContact O-CA 3.45Å
80	Q	78.4	Confident	78.3	Confident	148 Å²	148	49.7 Å²	49.7	69%	0.692	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-29.6	-171.5	-60.9	-177.8	9.1	0	0	113.3	R46 R78	R46-Q80 PolarHBondContact NH2-O 2.88Å; R78-Q80 HydrophobicContact CG-CB 4.47Å; R78-Q80 PolarHBondContact O-N 3.26Å; R78-Q80 VanDerWaalsContact O-N 3.13Å
81	D	75.8	Confident	80	Confident	30 Å²	30	48.7 Å²	48.7	16%	0.16	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.6	-2.9	-169.7	54.9	-1.9	0	0	0	113.9	R46 F64 R78 E83	R46-D81 HydrophobicContact CB-CB 4.44Å; R46-D81 WeakPolarHBondContact CB-O 3.45Å; R46-D81 PolarHBondContact N-O 2.84Å; R46-D81 VanDerWaalsContact N-O 3.1Å; F64-D81 VanDerWaalsContact CD2-C 3.49Å; R78-D81 WeakPolarHBondContact CB-OD1 3.48Å; R78-D81 WeakPolarHBondContact CG-OD1 3.25Å; R78-D81 IonicContact CZ-OD1 3.88Å; R78-D81 IonicContact CZ-OD2 2.66Å; R78-D81 VanDerWaalsContact CZ-OD2 3.31Å; R78-D81 IonicContact NE-OD1 3.33Å; R78-D81 PolarHBondContact NE-OD1 3.05Å; R78-D81 IonicContact NE-OD2 2.77Å; R78-D81 PolarHBondContact NE-OD2 2.85Å; R78-D81 VanDerWaalsContact NE-OD2 3.1Å; R78-D81 IonicContact NH2-OD1 3.13Å; R78-D81 IonicContact NH2-OD2 3.85Å; R78-D81 PolarHBondContact NH2-OD2 2.85Å; D81-E83 PolarHBondContact O-N 3.33Å; D81-E83 PolarHBondContact OD1-N 2.82Å
82	G	78.1	Confident	81.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.			trans	66.1	29	-177.9	0	0	0	0	0	112.4	L45 F64 R78 I84	L45-G82 WeakPolarHBondContact CG-O 2.98Å; L45-G82 PolarHBondContact N-O 2.87Å; F64-G82 VanDerWaalsContact CD2-N 3.29Å; R78-G82 VanDerWaalsContact O-CA 3.3Å; R78-G82 WeakPolarHBondContact O-CA 3.37Å; R78-G82 PolarHBondContact O-N 3.43Å; G82-I84 PolarHBondContact O-N 3.28Å
83	E	84.6	Confident	83	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	116.8	169.4	-169.9	175	87.7	0	0	109.3	V41 A43 R44 V77 R78 D81	V41-E83 HydrophobicContact CB-CG 4.33Å; V41-E83 HydrophobicContact CG1-CG 3.47Å; V41-E83 VanDerWaalsContact CG1-CG 3.47Å; V41-E83 HydrophobicContact CG2-CG 3.98Å; V41-E83 VanDerWaalsContact CG2-OE1 3.27Å; V41-E83 WeakPolarHBondContact CG2-OE1 3.4Å; A43-E83 WeakPolarHBondContact O-CA 2.89Å; R44-E83 HydrophobicContact CG-CB 4.16Å; R44-E83 HydrophobicContact CG-CG 4.02Å; R44-E83 IonicContact CZ-OE2 2.88Å; R44-E83 IonicContact NE-OE2 3.81Å; R44-E83 PolarHBondContact NE-OE2 2.6Å; R44-E83 IonicContact NH2-OE2 2.61Å; R44-E83 PolarHBondContact NH2-OE2 2.92Å; V77-E83 CarbonylContact C-O 3.54Å; V77-E83 WeakPolarHBondContact CA-O 3.33Å; R78-E83 HydrophobicContact CB-CB 4.17Å; R78-E83 VanDerWaalsContact CZ-CD 3.46Å; R78-E83 IonicContact CZ-OE1 2.78Å; R78-E83 IonicContact CZ-OE2 3.35Å; R78-E83 PolarHBondContact N-O 2.83Å; R78-E83 IonicContact NH1-OE1 3.1Å; R78-E83 PolarHBondContact NH1-OE1 2.98Å; R78-E83 IonicContact NH1-OE2 2.74Å; R78-E83 IonicContact NH2-OE1 2.79Å; R78-E83 PolarHBondContact NH2-OE1 2.97Å; R78-E83 VanDerWaalsContact NH2-OE1 3.08Å; R78-E83 IonicContact NH2-OE2 2.66Å; R78-E83 PolarHBondContact NH2-OE2 2.93Å; D81-E83 PolarHBondContact O-N 3.33Å; D81-E83 PolarHBondContact OD1-N 2.82Å
84	I	86.5	Confident	83.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127	174.6	-52.2	176.8	0	0	0	107	Y30 I42 A43 L45 L75 V77 G82 F106 V121	Y30-I84 HydrophobicContact CD2-CD1 4.38Å; Y30-I84 HydrophobicContact CE2-CD1 4.03Å; I42-I84 HydrophobicContact CB-CB 4.27Å; I42-I84 HydrophobicContact CB-CG2 4.23Å; I42-I84 HydrophobicContact CD1-CG2 4.06Å; I42-I84 HydrophobicContact CG1-CG2 4.44Å; I42-I84 PolarHBondContact N-O 2.02Å; A43-I84 HydrophobicContact CB-CB 4.44Å; A43-I84 HydrophobicContact CB-CD1 4.18Å; A43-I84 HydrophobicContact CB-CG1 4.46Å; A43-I84 PolarHBondContact O-N 2.88Å; L45-I84 HydrophobicContact CD1-CD1 4.07Å; L45-I84 HydrophobicContact CD1-CG1 4.11Å; L45-I84 HydrophobicContact CD2-CD1 4.02Å; L45-I84 HydrophobicContact CG-CD1 3.99Å; L45-I84 HydrophobicContact CG-CG1 4.16Å; L75-I84 HydrophobicContact CD1-CG2 4.48Å; V77-I84 HydrophobicContact CG2-CG1 4.26Å; G82-I84 PolarHBondContact O-N 3.28Å; I84-F106 HydrophobicContact CD1-CZ 4.09Å; I84-F106 HydrophobicContact CG2-CZ 4.03Å; I84-V121 HydrophobicContact CD1-CG1 3.86Å; I84-V121 HydrophobicContact CD1-CG2 4.42Å
85	S	86.1	Confident	84.1	Confident	23 Å²	23	53.2 Å²	53.2	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.5	-176.3	56.8	0	0	0	0	112	T40 L75 A76 R87	T40-S85 CarbonylContact O-C 3.55Å; T40-S85 WeakPolarHBondContact O-CA 3.38Å; L75-S85 WeakPolarHBondContact CA-O 3.42Å; A76-S85 PolarHBondContact N-O 2.91Å; A76-S85 PolarHBondContact O-N 3.22Å; A76-S85 PolarHBondContact O-OG 2.84Å; S85-R87 PolarHBondContact O-N 2.86Å
86	I	87.5	Confident	84.1	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.7	178.8	-61.6	-178.8	0	0	0	109.7	I32 Q36 G39 T40 I42 L75 T88 I90	I32-I86 HydrophobicContact CD1-CD1 4.4Å; Q36-I86 HydrophobicContact CB-CD1 3.49Å; Q36-I86 VanDerWaalsContact CB-CD1 3.49Å; Q36-I86 HydrophobicContact CG-CD1 4.5Å; G39-I86 PolarHBondContact N-O 2.79Å; T40-I86 PolarHBondContact O-N 2.76Å; I42-I86 HydrophobicContact CD1-CG1 4.04Å; I42-I86 HydrophobicContact CG1-CG1 4.26Å; L75-I86 HydrophobicContact CD2-CG1 4.21Å; I86-T88 WeakPolarHBondContact CG2-O 3.48Å; I86-I90 HydrophobicContact CG2-CD1 4.46Å
87	R	83.7	Confident	84.2	Confident	145 Å²	145	59 Å²	59	55%	0.547	28%	0.276	S	S	.	.			trans	-99.2	-35.8	-176.9	-174.3	-179	176.4	-167.3	-1.4	113.1	V38 S73 F74 A76 S85	V38-R87 WeakPolarHBondContact CG1-O 3.35Å; S73-R87 WeakPolarHBondContact O-CD 3.49Å; F74-R87 WeakPolarHBondContact O-CA 3.23Å; F74-R87 WeakPolarHBondContact O-CB 3.47Å; F74-R87 PolarHBondContact O-N 2.89Å; A76-R87 HydrophobicContact CB-CB 4.01Å; A76-R87 HydrophobicContact CB-CG 4.32Å; S85-R87 PolarHBondContact O-N 2.86Å
88	T	84.6	Confident	83.9	Confident	60 Å²	60	64.1 Å²	64.1	37%	0.368	30%	0.296	S	S	.	.	S	Bend	trans	-132.8	155.2	171.3	61.4	0	0	0	0	108.3	F74 I86 I90	F74-T88 WeakPolarHBondContact CD1-OG1 3.4Å; F74-T88 PolarHBondContact O-N 3Å; I86-T88 WeakPolarHBondContact CG2-O 3.48Å; T88-I90 PolarHBondContact O-N 2.82Å
89	K	86	Confident	83.8	Confident	122 Å²	122	64.6 Å²	64.6	53%	0.53	31%	0.305	S	S	.	.			trans	-49.1	137.5	170.7	-155.3	-174	-166.8	-125	0	109.2	E35	E35-K89 WeakPolarHBondContact OE1-CE 3.43Å; E35-K89 IonicContact OE1-NZ 2.77Å; E35-K89 PolarHBondContact OE1-NZ 3.44Å; E35-K89 WeakPolarHBondContact OE2-CE 3.38Å; E35-K89 IonicContact OE2-NZ 3.76Å; E35-K89 PolarHBondContact OE2-NZ 3.34Å
90	I	87.1	Confident	83.6	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	32%	0.317	C	S	.	.			trans	-108	129.1	175.4	-64.7	170.4	0	0	0	105.8	I32 E34 E35 F74 L75 I86 T88 I104 V125	I32-I90 HydrophobicContact CD1-CD1 3.55Å; E34-I90 HydrophobicContact CB-CG2 4.4Å; E35-I90 PolarHBondContact N-O 2.65Å; F74-I90 HydrophobicContact CB-CD1 4.18Å; F74-I90 HydrophobicContact CB-CG1 4.04Å; F74-I90 HydrophobicContact CD1-CG1 4.06Å; F74-I90 HydrophobicContact CG-CG1 4.37Å; L75-I90 HydrophobicContact CD2-CD1 3.96Å; I86-I90 HydrophobicContact CG2-CD1 4.46Å; T88-I90 PolarHBondContact O-N 2.82Å; I90-I104 HydrophobicContact CD1-CD1 3.97Å; I90-I104 HydrophobicContact CG2-CD1 4.49Å; I90-V125 HydrophobicContact CG2-CG1 3.88Å; I90-V125 HydrophobicContact CG2-CG2 4.24Å
91	D	88.4	Confident	83.9	Confident	56 Å²	56	66.2 Å²	66.2	30%	0.299	32%	0.321	S	S	.	.			trans	-131.5	113.5	-177	131.2	22.6	0	0	0	103.4	K94 L95	D91-K94 VanDerWaalsContact CG-CB 3.43Å; D91-K94 WeakPolarHBondContact OD1-CB 3.44Å; D91-K94 PolarHBondContact OD1-N 3.18Å; D91-K94 WeakPolarHBondContact OD2-CB 3.22Å; D91-K94 WeakPolarHBondContact OD2-CD 3.3Å; D91-L95 WeakPolarHBondContact O-CB 3.48Å; D91-L95 PolarHBondContact O-N 2.84Å
92	R	88.3	Confident	84.4	Confident	2 Å²	2	65 Å²	65	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-83.4	-34.8	-164.5	-176.4	-148.4	63.8	76.6	3	110.4	E34 K94 L95 C96 E97 C102 V125 D127 P162	E34-R92 HydrophobicContact CB-CB 4.36Å; E34-R92 HydrophobicContact CG-CB 4.5Å; E34-R92 VanDerWaalsContact OE1-CB 3.29Å; E34-R92 WeakPolarHBondContact OE1-CB 3.48Å; E34-R92 IonicContact OE1-NE 3.69Å; E34-R92 WeakPolarHBondContact OE2-CB 3.42Å; E34-R92 PolarHBondContact OE2-N 3.48Å; R92-K94 PolarHBondContact O-N 3.42Å; R92-L95 PolarHBondContact O-N 2.92Å; R92-L95 VanDerWaalsContact O-N 3.16Å; R92-C96 HydrophobicContact CG-CB 4.5Å; R92-C96 WeakPolarHBondContact O-CA 3.03Å; R92-C96 WeakPolarHBondContact O-CB 3.49Å; R92-C96 PolarHBondContact O-N 2.87Å; R92-E97 PolarHBondContact NH1-O 3.14Å; R92-C102 HydrophobicContact CG-CB 4.02Å; R92-V125 HydrophobicContact CB-CG1 4.11Å; R92-V125 HydrophobicContact CG-CG1 4.11Å; R92-D127 IonicContact CZ-OD1 3.31Å; R92-D127 IonicContact NE-OD1 3.19Å; R92-D127 PolarHBondContact NE-OD1 2.87Å; R92-D127 IonicContact NH2-OD1 3.84Å; R92-D127 PolarHBondContact NH2-OD1 2.75Å; R92-D127 VanDerWaalsContact NH2-OD1 3.16Å; R92-P162 PolarHBondContact NH2-O 3.45Å
93	E	88.4	Confident	84.8	Confident	28 Å²	28	67 Å²	67	13%	0.131	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-39.4	177.4	-63.9	58.4	-118.3	0	0	109.7	E97 P162	E93-E97 WeakPolarHBondContact O-CA 3.49Å; E93-E97 PolarHBondContact O-N 3.4Å; E93-P162 HydrophobicContact CB-CB 4.38Å; E93-P162 HydrophobicContact CG-CB 3.61Å
94	K	85.5	Confident	84.8	Confident	173 Å²	173	66.5 Å²	66.5	75%	0.752	33%	0.327	S	S	*	.	H	α-helix	trans	-83.4	-23.2	176.8	-168.5	177.1	-173.1	168	0	114.5	D91 R92	D91-K94 VanDerWaalsContact CG-CB 3.43Å; D91-K94 WeakPolarHBondContact OD1-CB 3.44Å; D91-K94 PolarHBondContact OD1-N 3.18Å; D91-K94 WeakPolarHBondContact OD2-CB 3.22Å; D91-K94 WeakPolarHBondContact OD2-CD 3.3Å; R92-K94 PolarHBondContact O-N 3.42Å
95	L	83.4	Confident	84.7	Confident	61 Å²	61	71.1 Å²	71.1	32%	0.319	35%	0.348	S	S	.	.	H	α-helix	trans	-84.4	-35.2	178.6	-176.8	63	0	0	0	112.4	F74 D91 R92 I104	F74-L95 HydrophobicContact CE2-CD1 3.99Å; F74-L95 HydrophobicContact CZ-CD1 4.13Å; D91-L95 WeakPolarHBondContact O-CB 3.48Å; D91-L95 PolarHBondContact O-N 2.84Å; R92-L95 PolarHBondContact O-N 2.92Å; R92-L95 VanDerWaalsContact O-N 3.16Å; L95-I104 HydrophobicContact CD2-CD1 3.96Å; L95-I104 HydrophobicContact CD2-CG1 3.91Å
96	C	83.9	Confident	84.6	Confident	21 Å²	21	70.4 Å²	70.4	14%	0.142	34%	0.342	C	S	.	.	H	α-helix	trans	-135.9	-7.1	-165.7	-69.3	0	0	0	0	113.9	R92 K98 N99 C102	R92-C96 HydrophobicContact CG-CB 4.5Å; R92-C96 WeakPolarHBondContact O-CA 3.03Å; R92-C96 WeakPolarHBondContact O-CB 3.49Å; R92-C96 PolarHBondContact O-N 2.87Å; C96-K98 PolarHBondContact O-N 3.12Å; C96-N99 VanDerWaalsContact O-CB 3.25Å; C96-N99 WeakPolarHBondContact O-CB 3.29Å; C96-N99 PolarHBondContact O-N 3.2Å; C96-N99 PolarHBondContact O-ND2 3.43Å; C96-C102 HydrophobicContact CB-CB 3.66Å; C96-C102 WeakPolarHBondContact CB-SG 3.46Å; C96-C102 WeakPolarHBondContact SG-CA 3.13Å; C96-C102 WeakPolarHBondContact SG-CB 3.11Å; C96-C102 CovalentContact SG-SG 2.04Å; C96-C102 PolarHBondContact SG-SG 3.22Å
97	E	83.6	Confident	84.4	Confident	145 Å²	145	71.7 Å²	71.7	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	-130	-175.5	-58.9	179.7	-172.1	0	0	111.1	R92 E93 N99	R92-E97 PolarHBondContact NH1-O 3.14Å; E93-E97 WeakPolarHBondContact O-CA 3.49Å; E93-E97 PolarHBondContact O-N 3.4Å; E97-N99 VanDerWaalsContact C-N 3.27Å; E97-N99 PolarHBondContact O-N 3.49Å
98	K	77.1	Confident	84.4	Confident	135 Å²	135	64.8 Å²	64.8	59%	0.587	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	13.5	-179.9	-62.8	-173.6	170.2	-113.3	0	114.2	C96 L100 D161	C96-K98 PolarHBondContact O-N 3.12Å; K98-L100 PolarHBondContact O-N 2.79Å; K98-D161 WeakPolarHBondContact CE-O 3.39Å; K98-D161 PolarHBondContact NZ-O 2.89Å
99	N	82.3	Confident	84.3	Confident	104 Å²	104	63.6 Å²	63.6	56%	0.556	31%	0.314	S	S	*	.			trans	-78.8	117	179	-65	-77.3	0	0	0	110.8	C96 E97 N101	C96-N99 VanDerWaalsContact O-CB 3.25Å; C96-N99 WeakPolarHBondContact O-CB 3.29Å; C96-N99 PolarHBondContact O-N 3.2Å; C96-N99 PolarHBondContact O-ND2 3.43Å; E97-N99 VanDerWaalsContact C-N 3.27Å; E97-N99 PolarHBondContact O-N 3.49Å; N99-N101 VanDerWaalsContact C-N 3.25Å; N99-N101 PolarHBondContact O-N 2.99Å
100	L	76.9	Confident	84	Confident	125 Å²	125	57.8 Å²	57.8	65%	0.654	29%	0.289	S	S	*	.	S	Bend	trans	-57.1	-35.3	177.9	-69	165.6	0	0	0	113.3	K98 C102 V164	K98-L100 PolarHBondContact O-N 2.79Å; L100-C102 PolarHBondContact O-N 2.84Å; L100-V164 HydrophobicContact CD2-CB 4.06Å; L100-V164 HydrophobicContact CD2-CG2 4.29Å
101	N	83.4	Confident	83.3	Confident	144 Å²	144	60.3 Å²	60.3	77%	0.77	30%	0.302	S	S	*	.			trans	-93.8	75.4	-176	-67	19	0	0	0	110.7	N99	N99-N101 VanDerWaalsContact C-N 3.25Å; N99-N101 PolarHBondContact O-N 2.99Å
102	C	86.9	Confident	82.4	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.02	31%	0.306	C	S	.	.			trans	-91.1	105.9	176.7	-163.9	0	0	0	0	111.2	R92 C96 L100 V125	R92-C102 HydrophobicContact CG-CB 4.02Å; C96-C102 HydrophobicContact CB-CB 3.66Å; C96-C102 WeakPolarHBondContact CB-SG 3.46Å; C96-C102 WeakPolarHBondContact SG-CA 3.13Å; C96-C102 WeakPolarHBondContact SG-CB 3.11Å; C96-C102 CovalentContact SG-SG 2.04Å; C96-C102 PolarHBondContact SG-SG 3.22Å; L100-C102 PolarHBondContact O-N 2.84Å; C102-V125 HydrophobicContact CB-CB 4.34Å; C102-V125 PolarHBondContact O-N 2.8Å
103	S	86.3	Confident	81.4	Confident	44 Å²	44	65.2 Å²	65.2	31%	0.308	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.6	175.8	77.9	0	0	0	0	114.6	E122 V123	S103-E122 WeakPolarHBondContact CB-OE1 3.14Å; S103-E122 PolarHBondContact OG-OE1 2.88Å; S103-V123 CarbonylContact C-O 3.55Å; S103-V123 WeakPolarHBondContact CA-O 3.04Å
104	I	84.2	Confident	80.4	Confident	1 Å²	1	72 Å²	72	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	102.2	176.4	-62.2	174.2	0	0	0	107.8	F74 L75 I90 L95 F106 V123 V125	F74-I104 HydrophobicContact CB-CD1 4.32Å; L75-I104 HydrophobicContact CD1-CG2 3.87Å; L75-I104 HydrophobicContact CG-CG2 4.5Å; I90-I104 HydrophobicContact CD1-CD1 3.97Å; I90-I104 HydrophobicContact CG2-CD1 4.49Å; L95-I104 HydrophobicContact CD2-CD1 3.96Å; L95-I104 HydrophobicContact CD2-CG1 3.91Å; I104-F106 HydrophobicContact CG2-CD1 4.34Å; I104-V123 HydrophobicContact CB-CB 4.39Å; I104-V123 PolarHBondContact N-O 3.32Å; I104-V123 PolarHBondContact O-N 3.2Å; I104-V125 HydrophobicContact CD1-CG2 3.8Å; I104-V125 HydrophobicContact CG1-CG2 4.01Å
105	Q	84.7	Confident	79.6	Confident	96 Å²	96	66.5 Å²	66.5	45%	0.449	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.9	-179.9	-66.5	177.5	-1.8	0	0	111.9	V121 E122	Q105-V121 WeakPolarHBondContact CA-O 3.43Å; Q105-E122 HydrophobicContact CG-CB 4.17Å; Q105-E122 HydrophobicContact CG-CG 3.9Å; Q105-E122 PolarHBondContact NE2-OE1 3.08Å
106	F	84.6	Confident	79.1	Confident	8 Å²	8	67.8 Å²	67.8	4%	0.035	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.8	174.5	64.4	-79.3	0	0	0	111.9	A66 L75 V77 I84 I104 V108 V121 V123	A66-F106 HydrophobicContact CB-CD2 4.45Å; L75-F106 HydrophobicContact CD1-CD1 4.32Å; L75-F106 HydrophobicContact CD1-CE1 3.53Å; L75-F106 HydrophobicContact CD1-CZ 4.13Å; V77-F106 HydrophobicContact CG2-CE2 3.78Å; V77-F106 HydrophobicContact CG2-CZ 4.42Å; I84-F106 HydrophobicContact CD1-CZ 4.09Å; I84-F106 HydrophobicContact CG2-CZ 4.03Å; I104-F106 HydrophobicContact CG2-CD1 4.34Å; F106-V108 HydrophobicContact CD2-CG2 3.83Å; F106-V108 HydrophobicContact CE2-CG2 3.54Å; F106-V121 HydrophobicContact CD1-CB 4.4Å; F106-V121 HydrophobicContact CD2-CB 4.43Å; F106-V121 HydrophobicContact CE1-CB 4.06Å; F106-V121 HydrophobicContact CE1-CG1 3.82Å; F106-V121 HydrophobicContact CE2-CB 4.11Å; F106-V121 HydrophobicContact CE2-CG1 4.37Å; F106-V121 HydrophobicContact CE2-CG2 4.35Å; F106-V121 HydrophobicContact CZ-CB 3.92Å; F106-V121 HydrophobicContact CZ-CG1 3.72Å; F106-V121 HydrophobicContact CZ-CG2 4.49Å; F106-V121 PolarHBondContact N-O 3.09Å; F106-V121 WeakPolarHBondContact O-CA 3.4Å; F106-V121 WeakPolarHBondContact O-CB 3.31Å; F106-V121 PolarHBondContact O-N 2.97Å; F106-V121 VanDerWaalsContact O-O 3.08Å; F106-V123 HydrophobicContact CE1-CG2 3.94Å
107	D	84.2	Confident	78.6	Confident	31 Å²	31	68.2 Å²	68.2	17%	0.166	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.3	-179.7	-53.1	-56.9	0	0	0	111.5	A66 M67 L118 F119 H120	A66-D107 WeakPolarHBondContact CA-O 3.27Å; M67-D107 HydrophobicContact CB-CB 4.19Å; M67-D107 HydrophobicContact CG-CB 4.21Å; M67-D107 PolarHBondContact N-O 3.09Å; M67-D107 HydrophobicContact SD-CB 3.93Å; D107-L118 HydrophobicContact CB-CD1 4.07Å; D107-F119 WeakPolarHBondContact CA-O 3.11Å; D107-H120 IonicContact OD1-CE1 3Å; D107-H120 IonicContact OD1-CG 2.75Å; D107-H120 IonicContact OD1-ND1 2.66Å; D107-H120 PolarHBondContact OD1-ND1 3Å
108	V	82.4	Confident	78.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.3	173.1	-174.9	0	0	0	0	109.8	L45 F64 A66 V77 F106 F119 V121	L45-V108 HydrophobicContact CD1-CB 3.97Å; L45-V108 HydrophobicContact CD1-CG1 3.7Å; L45-V108 HydrophobicContact CD1-CG2 3.94Å; F64-V108 HydrophobicContact CB-CG1 4.14Å; F64-V108 HydrophobicContact CD1-CG1 4.41Å; A66-V108 HydrophobicContact CB-CG2 4.4Å; V77-V108 HydrophobicContact CG1-CG1 4.32Å; V77-V108 HydrophobicContact CG2-CG2 4.19Å; F106-V108 HydrophobicContact CD2-CG2 3.83Å; F106-V108 HydrophobicContact CE2-CG2 3.54Å; V108-F119 PolarHBondContact N-O 3.18Å; V108-F119 PolarHBondContact O-N 2.75Å; V108-V121 HydrophobicContact CG2-CG2 3.94Å
109	L	83.8	Confident	78.7	Confident	34 Å²	34	58.2 Å²	58.2	18%	0.178	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.9	179.7	48.6	68.6	0	0	0	112.6	R65 M67 Q117 L118	R65-L109 HydrophobicContact CB-CD1 3.95Å; R65-L109 HydrophobicContact CG-CD1 4.47Å; R65-L109 PolarHBondContact N-O 3.35Å; R65-L109 WeakPolarHBondContact O-CD1 3.25Å; R65-L109 PolarHBondContact O-N 2.97Å; M67-L109 HydrophobicContact CG-CD2 3.73Å; M67-L109 HydrophobicContact CG-CG 3.94Å; M67-L109 HydrophobicContact SD-CD2 3.78Å; M67-L109 HydrophobicContact SD-CG 4.38Å; L109-Q117 WeakPolarHBondContact CA-O 3.34Å; L109-L118 HydrophobicContact CB-CD1 4.09Å
110	T	78.7	Confident	78.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	149.2	176.4	59.3	0	0	0	0	112.6	R63 F64 H115 Q117 F119	R63-T110 CarbonylContact O-C 3.58Å; R63-T110 WeakPolarHBondContact O-CA 3.45Å; F64-T110 HydrophobicContact CD1-CG2 4.15Å; F64-T110 HydrophobicContact CE1-CG2 4.09Å; T110-H115 PolarHBondContact OG1-O 3.39Å; T110-Q117 HydrophobicContact CG2-CB 4.38Å; T110-Q117 PolarHBondContact N-O 3.46Å; T110-Q117 VanDerWaalsContact N-O 3.08Å; T110-Q117 PolarHBondContact OG1-N 3.07Å; T110-F119 HydrophobicContact CG2-CE2 3.76Å; T110-F119 HydrophobicContact CG2-CZ 4.3Å
111	L	73.4	Confident	79.1	Confident	55 Å²	55	50.1 Å²	50.1	29%	0.288	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146	174.3	-63.5	174.5	0	0	0	109.7	L62 R63 T113	L62-L111 WeakPolarHBondContact CA-O 3.41Å; R63-L111 PolarHBondContact N-O 2.75Å; R63-L111 PolarHBondContact O-N 3.48Å; L111-T113 HydrophobicContact CD2-CG2 3.78Å
112	P	69.2	Low	79.2	Confident	59 Å²	59	44.7 Å²	44.7	38%	0.383	23%	0.234	S	C	.	.	S	Bend	cis	-72.9	157.9	6.1	31.2	-36.7	0	0	0	114.2	V60 E114 H115	V60-P112 HydrophobicContact CG1-CG 4.37Å; P112-E114 PolarHBondContact O-N 3.35Å; P112-E114 VanDerWaalsContact O-N 3.13Å; P112-H115 CarbonylContact O-C 3.49Å; P112-H115 PolarHBondContact O-N 3.19Å
113	T	66.5	Low	79.2	Confident	103 Å²	103	44.6 Å²	44.6	63%	0.632	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-64.2	-18.3	-172.9	47	0	0	0	0	114.8	L111 H115 L116	L111-T113 HydrophobicContact CD2-CG2 3.78Å; T113-H115 PolarHBondContact O-N 3.07Å; T113-L116 HydrophobicContact CG2-CD1 4.43Å; T113-L116 WeakPolarHBondContact O-CB 3.16Å; T113-L116 PolarHBondContact O-N 3.22Å
114	E	68.2	Low	79.2	Confident	171 Å²	171	46.3 Å²	46.3	80%	0.799	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-62.8	-22.4	172.9	-65	172.7	-167	0	0	112.4	P112	P112-E114 PolarHBondContact O-N 3.35Å; P112-E114 VanDerWaalsContact O-N 3.13Å
115	H	68.2	Low	79.4	Confident	56 Å²	56	46.6 Å²	46.6	26%	0.259	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-128	43.9	176.8	-63	-11.6	0	0	0	110.6	L56 L62 T110 P112 T113 Q117	L56-H115 HydrophobicContact CD1-CB 4.29Å; L56-H115 HydrophobicContact CD2-CB 3.93Å; L62-H115 HydrophobicContact CD2-CB 4.46Å; T110-H115 PolarHBondContact OG1-O 3.39Å; P112-H115 CarbonylContact O-C 3.49Å; P112-H115 PolarHBondContact O-N 3.19Å; T113-H115 PolarHBondContact O-N 3.07Å; H115-Q117 PolarHBondContact O-N 2.56Å
116	L	71.9	Confident	79.6	Confident	89 Å²	89	44.3 Å²	44.3	47%	0.466	23%	0.229	S	C	.	.			trans	-68.5	120.8	178.6	-171.5	148.9	0	0	0	111.2	T113	T113-L116 HydrophobicContact CG2-CD1 4.43Å; T113-L116 WeakPolarHBondContact O-CB 3.16Å; T113-L116 PolarHBondContact O-N 3.22Å
117	Q	73.8	Confident	79.7	Confident	29 Å²	29	45 Å²	45	14%	0.136	23%	0.233	C	C	.	.			trans	-115.3	148.2	163.9	-59.8	-172	8.8	0	0	107.9	V52 L109 T110 H115 F119	V52-Q117 VanDerWaalsContact CG1-OE1 3.29Å; V52-Q117 PolarHBondContact O-NE2 2.82Å; V52-Q117 VanDerWaalsContact O-NE2 3.08Å; L109-Q117 WeakPolarHBondContact CA-O 3.34Å; T110-Q117 HydrophobicContact CG2-CB 4.38Å; T110-Q117 PolarHBondContact N-O 3.46Å; T110-Q117 VanDerWaalsContact N-O 3.08Å; T110-Q117 PolarHBondContact OG1-N 3.07Å; H115-Q117 PolarHBondContact O-N 2.56Å; Q117-F119 HydrophobicContact CB-CE1 3.86Å; Q117-F119 HydrophobicContact CB-CE2 4.34Å; Q117-F119 HydrophobicContact CB-CZ 3.58Å
118	L	80.4	Confident	80	Confident	70 Å²	70	46.1 Å²	46.1	37%	0.366	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.4	178.7	-174.7	70.3	0	0	0	108.7	M67 D107 L109	M67-L118 HydrophobicContact SD-CD1 3.86Å; D107-L118 HydrophobicContact CB-CD1 4.07Å; L109-L118 HydrophobicContact CB-CD1 4.09Å
119	F	82.4	Confident	80.3	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.7	176.9	-49.2	-52.2	0	0	0	108.6	K26 L28 V49 F64 D107 V108 T110 Q117 V121	K26-F119 HydrophobicContact CB-CD1 4.28Å; K26-F119 WeakPolarHBondContact O-CA 3.07Å; L28-F119 HydrophobicContact CD1-CB 3.97Å; L28-F119 HydrophobicContact CD1-CG 4.27Å; V49-F119 HydrophobicContact CB-CZ 4.47Å; V49-F119 HydrophobicContact CG1-CD1 4.32Å; V49-F119 HydrophobicContact CG1-CE1 3.58Å; V49-F119 HydrophobicContact CG1-CE2 4.41Å; V49-F119 HydrophobicContact CG1-CZ 3.62Å; F64-F119 HydrophobicContact CD1-CE2 4.45Å; F64-F119 HydrophobicContact CE1-CE2 4.04Å; D107-F119 WeakPolarHBondContact CA-O 3.11Å; V108-F119 PolarHBondContact N-O 3.18Å; V108-F119 PolarHBondContact O-N 2.75Å; T110-F119 HydrophobicContact CG2-CE2 3.76Å; T110-F119 HydrophobicContact CG2-CZ 4.3Å; Q117-F119 HydrophobicContact CB-CE1 3.86Å; Q117-F119 HydrophobicContact CB-CE2 4.34Å; Q117-F119 HydrophobicContact CB-CZ 3.58Å; F119-V121 PolarHBondContact O-N 2.98Å
120	H	83.8	Confident	80.4	Confident	59 Å²	59	47.9 Å²	47.9	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.4	169.7	-175.2	63.2	0	0	0	107.4	K26 T27 L28 D107	K26-H120 PolarHBondContact O-N 2.87Å; T27-H120 CarbonylContact C-O 3.51Å; T27-H120 WeakPolarHBondContact CA-O 3.2Å; L28-H120 PolarHBondContact N-O 3.07Å; D107-H120 IonicContact OD1-CE1 3Å; D107-H120 IonicContact OD1-CG 2.75Å; D107-H120 IonicContact OD1-ND1 2.66Å; D107-H120 PolarHBondContact OD1-ND1 3Å
121	V	84.6	Confident	80.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.6	-178.1	-174.2	0	0	0	0	109.1	L28 Y30 L45 I84 Q105 F106 V108 F119 V123	L28-V121 WeakPolarHBondContact O-CA 2.96Å; Y30-V121 HydrophobicContact CD2-CG1 3.78Å; Y30-V121 HydrophobicContact CE2-CG1 3.91Å; L45-V121 HydrophobicContact CD2-CG2 4.22Å; I84-V121 HydrophobicContact CD1-CG1 3.86Å; I84-V121 HydrophobicContact CD1-CG2 4.42Å; Q105-V121 WeakPolarHBondContact CA-O 3.43Å; F106-V121 HydrophobicContact CD1-CB 4.4Å; F106-V121 HydrophobicContact CD2-CB 4.43Å; F106-V121 HydrophobicContact CE1-CB 4.06Å; F106-V121 HydrophobicContact CE1-CG1 3.82Å; F106-V121 HydrophobicContact CE2-CB 4.11Å; F106-V121 HydrophobicContact CE2-CG1 4.37Å; F106-V121 HydrophobicContact CE2-CG2 4.35Å; F106-V121 HydrophobicContact CZ-CB 3.92Å; F106-V121 HydrophobicContact CZ-CG1 3.72Å; F106-V121 HydrophobicContact CZ-CG2 4.49Å; F106-V121 PolarHBondContact N-O 3.09Å; F106-V121 WeakPolarHBondContact O-CA 3.4Å; F106-V121 WeakPolarHBondContact O-CB 3.31Å; F106-V121 PolarHBondContact O-N 2.97Å; F106-V121 VanDerWaalsContact O-O 3.08Å; V108-V121 HydrophobicContact CG2-CG2 3.94Å; F119-V121 PolarHBondContact O-N 2.98Å; V121-V123 HydrophobicContact CG1-CG2 4.02Å
122	E	85.9	Confident	81.6	Confident	30 Å²	30	48.7 Å²	48.7	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.2	170.9	-179.6	167.1	-137.6	0	0	108.9	L28 K29 Y30 S103 Q105	L28-E122 PolarHBondContact O-N 2.61Å; K29-E122 WeakPolarHBondContact CA-O 3.13Å; K29-E122 HydrophobicContact CG-CB 4.39Å; K29-E122 IonicContact NZ-OE2 3.65Å; K29-E122 PolarHBondContact NZ-OE2 2.93Å; Y30-E122 PolarHBondContact N-O 2.87Å; S103-E122 WeakPolarHBondContact CB-OE1 3.14Å; S103-E122 PolarHBondContact OG-OE1 2.88Å; Q105-E122 HydrophobicContact CG-CB 4.17Å; Q105-E122 HydrophobicContact CG-CG 3.9Å; Q105-E122 PolarHBondContact NE2-OE1 3.08Å
123	V	86.6	Confident	82.7	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	105.4	175.3	-178.3	0	0	0	0	108.3	Y30 I32 I42 L75 S103 I104 F106 V121	Y30-V123 CarbonylContact O-C 3.58Å; Y30-V123 WeakPolarHBondContact O-CA 3.32Å; I32-V123 HydrophobicContact CB-CG1 4.5Å; I32-V123 HydrophobicContact CD1-CG1 3.78Å; I32-V123 HydrophobicContact CG1-CG1 3.79Å; I32-V123 HydrophobicContact CG2-CG1 4.07Å; I42-V123 HydrophobicContact CD1-CG1 4.26Å; I42-V123 HydrophobicContact CG2-CG1 4.48Å; L75-V123 HydrophobicContact CD1-CB 4.18Å; L75-V123 HydrophobicContact CD1-CG1 4.44Å; L75-V123 HydrophobicContact CD1-CG2 3.85Å; S103-V123 CarbonylContact C-O 3.55Å; S103-V123 WeakPolarHBondContact CA-O 3.04Å; I104-V123 HydrophobicContact CB-CB 4.39Å; I104-V123 PolarHBondContact N-O 3.32Å; I104-V123 PolarHBondContact O-N 3.2Å; F106-V123 HydrophobicContact CE1-CG2 3.94Å; V121-V123 HydrophobicContact CG1-CG2 4.02Å
124	E	86.6	Confident	83.8	Confident	80 Å²	80	44.9 Å²	44.9	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.5	173	-178.4	168.8	-131.5	0	0	109.5	Y30 Q31 I32 L126	Y30-E124 PolarHBondContact O-N 3.43Å; Q31-E124 WeakPolarHBondContact CA-O 3.3Å; Q31-E124 HydrophobicContact CG-CB 4.01Å; Q31-E124 HydrophobicContact CG-CG 4.33Å; Q31-E124 WeakPolarHBondContact CG-OE2 3.43Å; Q31-E124 PolarHBondContact NE2-OE2 3Å; I32-E124 PolarHBondContact N-O 3.19Å; E124-L126 HydrophobicContact CG-CD2 4.25Å
125	V	88.2	Confident	84.9	Confident	7 Å²	7	38.2 Å²	38.2	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109	-179.5	-176.6	0	0	0	0	107.9	I32 E34 I90 R92 C102 I104	I32-V125 HydrophobicContact CD1-CG2 4.39Å; I32-V125 HydrophobicContact CG1-CG2 4.38Å; E34-V125 HydrophobicContact CB-CG1 3.82Å; I90-V125 HydrophobicContact CG2-CG1 3.88Å; I90-V125 HydrophobicContact CG2-CG2 4.24Å; R92-V125 HydrophobicContact CB-CG1 4.11Å; R92-V125 HydrophobicContact CG-CG1 4.11Å; C102-V125 HydrophobicContact CB-CB 4.34Å; C102-V125 PolarHBondContact O-N 2.8Å; I104-V125 HydrophobicContact CD1-CG2 3.8Å; I104-V125 HydrophobicContact CG1-CG2 4.01Å
126	L	87.2	Confident	85.9	Confident	49 Å²	49	40.2 Å²	40.2	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131	176.6	-56.2	179.9	0	0	0	110	Q31 I32 F33 E34 E124	Q31-L126 HydrophobicContact CB-CD1 4.07Å; Q31-L126 HydrophobicContact CB-CG 4.36Å; Q31-L126 HydrophobicContact CG-CD1 4.46Å; Q31-L126 HydrophobicContact CG-CD2 4.44Å; I32-L126 VanDerWaalsContact O-CB 3.32Å; I32-L126 WeakPolarHBondContact O-CB 3.37Å; I32-L126 WeakPolarHBondContact O-CG 3.26Å; I32-L126 PolarHBondContact O-N 3.45Å; F33-L126 WeakPolarHBondContact CA-O 3.41Å; F33-L126 HydrophobicContact CD1-CB 3.7Å; F33-L126 HydrophobicContact CD1-CD1 4.29Å; F33-L126 HydrophobicContact CE1-CB 3.94Å; F33-L126 HydrophobicContact CE1-CD1 3.88Å; F33-L126 HydrophobicContact CG-CB 4.41Å; F33-L126 HydrophobicContact CZ-CD1 4Å; E34-L126 PolarHBondContact N-O 3.15Å; E34-L126 VanDerWaalsContact N-O 3.1Å; E124-L126 HydrophobicContact CG-CD2 4.25Å
127	D	88.7	Confident	86.7	Confident	23 Å²	23	40.6 Å²	40.6	12%	0.123	22%	0.216	C	C	.	.			trans	-65.1	145.3	177.7	179.8	110.4	0	0	0	112.2	E34 R92 V164 N167	E34-D127 VanDerWaalsContact OE1-CA 3.3Å; E34-D127 WeakPolarHBondContact OE1-CA 3.29Å; R92-D127 IonicContact CZ-OD1 3.31Å; R92-D127 IonicContact NE-OD1 3.19Å; R92-D127 PolarHBondContact NE-OD1 2.87Å; R92-D127 IonicContact NH2-OD1 3.84Å; R92-D127 PolarHBondContact NH2-OD1 2.75Å; R92-D127 VanDerWaalsContact NH2-OD1 3.16Å; D127-V164 HydrophobicContact CB-CG2 3.94Å; D127-V164 VanDerWaalsContact OD1-CG2 3.31Å; D127-V164 WeakPolarHBondContact OD1-CG2 3.41Å; D127-V164 PolarHBondContact OD1-N 2.83Å; D127-N167 VanDerWaalsContact OD2-CB 3.29Å; D127-N167 WeakPolarHBondContact OD2-CB 3.42Å; D127-N167 PolarHBondContact OD2-ND2 2.63Å
128	I	88.6	Confident	87.4	Confident	54 Å²	54	43.4 Å²	43.4	28%	0.277	24%	0.244	S	C	.	.			trans	-127.4	154.4	169.1	69.9	164.3	0	0	0	111.2	F33 E34 E35 D130 N167	F33-I128 HydrophobicContact CB-CG2 4.01Å; F33-I128 HydrophobicContact CD1-CG2 3.8Å; F33-I128 HydrophobicContact CG-CG2 4.27Å; E34-I128 HydrophobicContact CG-CG1 3.86Å; E34-I128 HydrophobicContact CG-CG2 4.45Å; E34-I128 PolarHBondContact OE1-N 3.46Å; E35-I128 HydrophobicContact CB-CD1 3.71Å; E35-I128 HydrophobicContact CG-CD1 3.93Å; E35-I128 HydrophobicContact CG-CG1 4.49Å; I128-D130 HydrophobicContact CD1-CB 4.07Å; I128-D130 HydrophobicContact CG1-CB 3.78Å; I128-D130 PolarHBondContact O-N 3.42Å; I128-N167 VanDerWaalsContact C-ND2 3.33Å; I128-N167 WeakPolarHBondContact CA-ND2 3.49Å
129	N	88.9	Confident	87.9	Confident	16 Å²	16	43.4 Å²	43.4	9%	0.086	25%	0.247	C	C	.	.	S	Bend	trans	-75	63.6	-179.9	-156.5	47.6	0	0	0	112.4	D163 N167 D218 P222 R224	N129-D163 WeakPolarHBondContact CA-OD2 3.44Å; N129-N167 HydrophobicContact CB-CB 4Å; N129-N167 PolarHBondContact N-ND2 2.69Å; N129-N167 WeakPolarHBondContact OD1-CB 3.18Å; N129-N167 PolarHBondContact OD1-O 2.96Å; N129-D218 VanDerWaalsContact ND2-CG 3.27Å; N129-D218 PolarHBondContact ND2-OD1 2.79Å; N129-D218 PolarHBondContact ND2-OD2 3.17Å; N129-D218 PolarHBondContact OD1-OD2 3.06Å; N129-P222 PolarHBondContact ND2-O 3.1Å; N129-R224 WeakPolarHBondContact ND2-CD 3.47Å; N129-R224 WeakPolarHBondContact O-CD 3.21Å; N129-R224 PolarHBondContact O-NH1 2.73Å
130	D	87.5	Confident	88.4	Confident	54 Å²	54	43.5 Å²	43.5	29%	0.289	25%	0.247	S	C	.	.			trans	-90.6	-27.2	-173.2	147.2	-71.5	0	0	0	111.9	I128 D163 R224	I128-D130 HydrophobicContact CD1-CB 4.07Å; I128-D130 HydrophobicContact CG1-CB 3.78Å; I128-D130 PolarHBondContact O-N 3.42Å; D130-D163 PolarHBondContact N-OD2 3.26Å; D130-R224 PolarHBondContact O-NH1 2.8Å; D130-R224 PolarHBondContact O-NH2 3.46Å
131	N	88.3	Confident	88.8	Confident	40 Å²	40	45.1 Å²	45.1	21%	0.214	26%	0.263	C	S	.	.	S	Bend	trans	-96.8	-159.6	174.1	-62.6	-83.7	0	0	0	111.9	P162 D163 R224	N131-P162 HydrophobicContact CB-CB 4.27Å; N131-P162 HydrophobicContact CB-CG 3.76Å; N131-D163 VanDerWaalsContact CB-OD1 3.26Å; N131-D163 WeakPolarHBondContact CB-OD1 3.25Å; N131-D163 PolarHBondContact N-OD2 3.1Å; N131-D163 PolarHBondContact ND2-OD1 2.79Å; N131-R224 WeakPolarHBondContact O-CD 3.47Å; N131-R224 PolarHBondContact O-NE 3.09Å; N131-R224 PolarHBondContact O-NH1 3.13Å; N131-R224 PolarHBondContact O-NH2 2.75Å; N131-R224 VanDerWaalsContact O-NH2 3.08Å
132	T	89.1	Confident	89.2	Confident	33 Å²	33	46.1 Å²	46.1	20%	0.202	27%	0.268	C	S	.	.			trans	-150.2	156.5	179	48	0	0	0	0	110.2	H134 R224	T132-H134 PolarHBondContact O-CE1 2.86Å; T132-H134 PolarHBondContact O-N 2.94Å; T132-H134 VanDerWaalsContact O-N 3.15Å; T132-H134 PolarHBondContact O-ND1 2.9Å; T132-H134 PolarHBondContact O-NE2 2.83Å; T132-H134 PolarHBondContact OG1-CD2 2.84Å; T132-H134 PolarHBondContact OG1-NE2 2.85Å; T132-R224 HydrophobicContact CG2-CB 3.82Å
133	P	91.5	Very high	89.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	29%	0.294	C	S	.	.			trans	-59.3	117	162.7	-19.5	28.3	0	0	0	111.3	A159 D161 L169 A216 D218 G226	P133-A159 HydrophobicContact CB-CB 4.33Å; P133-D161 WeakPolarHBondContact CD-OD2 3.23Å; P133-D161 VanDerWaalsContact CG-OD2 3.28Å; P133-D161 WeakPolarHBondContact CG-OD2 3.2Å; P133-L169 HydrophobicContact CB-CD1 4.28Å; P133-A216 HydrophobicContact CB-CB 3.54Å; P133-A216 HydrophobicContact CG-CB 4.42Å; P133-D218 HydrophobicContact CG-CB 4.21Å; P133-G226 VanDerWaalsContact O-CA 3.31Å; P133-G226 WeakPolarHBondContact O-CA 3.28Å; P133-G226 PolarHBondContact O-N 2.77Å
134	H	90.4	Very high	89.8	Confident	80 Å²	80	52.1 Å²	52.1	37%	0.37	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-111.1	147.7	177.2	-34.3	89.8	0	0	0	111.8	T132 A159 T160	T132-H134 PolarHBondContact O-CE1 2.86Å; T132-H134 PolarHBondContact O-N 2.94Å; T132-H134 VanDerWaalsContact O-N 3.15Å; T132-H134 PolarHBondContact O-ND1 2.9Å; T132-H134 PolarHBondContact O-NE2 2.83Å; T132-H134 PolarHBondContact OG1-CD2 2.84Å; T132-H134 PolarHBondContact OG1-NE2 2.85Å; H134-A159 CarbonylContact O-C 3.57Å; H134-A159 WeakPolarHBondContact O-CA 3.34Å; H134-A159 WeakPolarHBondContact O-CB 3.08Å; H134-T160 PolarHBondContact N-O 2.91Å; H134-T160 PolarHBondContact ND1-O 2.89Å; H134-T160 PolarHBondContact O-N 2.9Å
135	F	90.9	Very high	90.1	Very high	31 Å²	31	50.3 Å²	50.3	14%	0.136	29%	0.292	C	S	.	.			trans	-102	141.3	166.8	-68.4	-75	0	0	0	111.2	K137 A159 Y172 Y214 A216 G226 T228	F135-K137 PolarHBondContact O-N 3.03Å; F135-A159 HydrophobicContact CD1-CB 3.97Å; F135-A159 HydrophobicContact CE1-CB 3.72Å; F135-A159 HydrophobicContact CZ-CB 4.07Å; F135-Y172 HydrophobicContact CE1-CD1 4.43Å; F135-Y172 HydrophobicContact CE1-CE1 4.04Å; F135-Y172 HydrophobicContact CZ-CD1 4.18Å; F135-Y172 HydrophobicContact CZ-CE1 4.18Å; F135-Y214 HydrophobicContact CD1-CE1 4.23Å; F135-Y214 AromaticContact CE1-CD1 3.76Å; F135-Y214 HydrophobicContact CE1-CD1 3.76Å; F135-Y214 AromaticContact CE1-CE1 3.26Å; F135-Y214 HydrophobicContact CE1-CE1 3.26Å; F135-Y214 AromaticContact CE1-CZ 3.96Å; F135-Y214 HydrophobicContact CE2-CD1 4.36Å; F135-Y214 AromaticContact CZ-CD1 3.61Å; F135-Y214 HydrophobicContact CZ-CD1 3.61Å; F135-Y214 AromaticContact CZ-CE1 3.48Å; F135-Y214 HydrophobicContact CZ-CE1 3.48Å; F135-Y214 VanDerWaalsContact CZ-CE1 3.48Å; F135-Y214 HydrophobicContact CZ-CG 4.27Å; F135-A216 HydrophobicContact CE2-CB 3.99Å; F135-A216 HydrophobicContact CZ-CB 3.74Å; F135-G226 WeakPolarHBondContact CE2-O 3.4Å; F135-T228 HydrophobicContact CB-CG2 4.12Å; F135-T228 HydrophobicContact CD1-CG2 3.99Å; F135-T228 HydrophobicContact CD2-CG2 3.47Å; F135-T228 VanDerWaalsContact CD2-CG2 3.47Å; F135-T228 HydrophobicContact CE1-CG2 4.24Å; F135-T228 HydrophobicContact CE2-CG2 3.73Å; F135-T228 HydrophobicContact CG-CG2 3.59Å; F135-T228 HydrophobicContact CZ-CG2 4.11Å
136	A	88.6	Confident	90.4	Very high	99 Å²	99	50.3 Å²	50.3	82%	0.818	29%	0.292	S	S	*	.	S	Bend	trans	-69.8	-14.1	178.9	0	0	0	0	0	114.2
137	K	89.2	Confident	90.5	Very high	97 Å²	97	52.2 Å²	52.2	42%	0.422	31%	0.309	S	S	.	.			trans	-131.2	136.6	178	-56.4	170.1	-172.3	156.6	0	109.2	F135 V139 I140 D157 T228	F135-K137 PolarHBondContact O-N 3.03Å; K137-V139 WeakPolarHBondContact CB-O 3.48Å; K137-I140 HydrophobicContact CB-CG1 4.25Å; K137-I140 HydrophobicContact CD-CG1 4.44Å; K137-D157 WeakPolarHBondContact CD-OD2 2.99Å; K137-D157 VanDerWaalsContact CE-OD2 3.32Å; K137-D157 WeakPolarHBondContact CE-OD2 3.4Å; K137-D157 IonicContact NZ-OD1 3.84Å; K137-D157 IonicContact NZ-OD2 2.68Å; K137-D157 PolarHBondContact NZ-OD2 3.19Å; K137-T228 PolarHBondContact O-OG1 2.72Å
138	A	87.7	Confident	90.7	Very high	88 Å²	88	52.1 Å²	52.1	73%	0.727	31%	0.312	S	S	*	.	S	Bend	trans	-78.2	-20.6	175.2	0	0	0	0	0	113.5	T228 L229	A138-T228 PolarHBondContact O-OG1 2.73Å; A138-T228 VanDerWaalsContact O-OG1 3.08Å; A138-L229 PolarHBondContact O-N 2.76Å
139	V	92.1	Very high	90.9	Very high	69 Å²	69	53.1 Å²	53.1	42%	0.418	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.4	167.2	-176.1	0	0	0	0	107.3	K137 P141 L229 K231	K137-V139 WeakPolarHBondContact CB-O 3.48Å; V139-P141 WeakPolarHBondContact O-CD 3.03Å; V139-L229 CarbonylContact C-O 3.56Å; V139-L229 WeakPolarHBondContact CA-O 3.41Å; V139-L229 HydrophobicContact CG1-CB 4.5Å; V139-L229 HydrophobicContact CG2-CB 4.35Å; V139-K231 HydrophobicContact CG1-CB 3.89Å
140	I	91.4	Very high	91	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	107	172.5	-56.6	173.4	0	0	0	106.9	K137 I142 D157 Y214 T228 L229 L230 K231	K137-I140 HydrophobicContact CB-CG1 4.25Å; K137-I140 HydrophobicContact CD-CG1 4.44Å; I140-I142 HydrophobicContact CG2-CD1 3.77Å; I140-I142 HydrophobicContact CG2-CG1 4.1Å; I140-D157 HydrophobicContact CD1-CB 4.05Å; I140-Y214 HydrophobicContact CD1-CD1 4.24Å; I140-Y214 HydrophobicContact CD1-CE1 4.33Å; I140-T228 HydrophobicContact CD1-CG2 3.65Å; I140-T228 HydrophobicContact CG1-CG2 4.14Å; I140-L229 PolarHBondContact N-O 3.44Å; I140-L230 HydrophobicContact CB-CD2 3.81Å; I140-L230 HydrophobicContact CD1-CD2 3.91Å; I140-L230 HydrophobicContact CG1-CD2 4.33Å; I140-L230 HydrophobicContact CG2-CD2 4.28Å; I140-K231 PolarHBondContact O-N 3.41Å
141	P	92.6	Very high	91.1	Very high	94 Å²	94	56 Å²	56	61%	0.61	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.6	169.5	30.1	-32.4	0	0	0	109.2	V139 K231	V139-P141 WeakPolarHBondContact O-CD 3.03Å; P141-K231 WeakPolarHBondContact CA-O 3.27Å
142	I	92.4	Very high	91.3	Very high	20 Å²	20	55.7 Å²	55.7	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136	174.9	-60	-66.2	0	0	0	107.2	I140 I144 I154 L156 L196 K231 I232 S233	I140-I142 HydrophobicContact CG2-CD1 3.77Å; I140-I142 HydrophobicContact CG2-CG1 4.1Å; I142-I144 HydrophobicContact CG2-CD1 4.03Å; I142-I144 HydrophobicContact CG2-CG1 3.78Å; I142-I154 HydrophobicContact CG2-CG2 4.21Å; I142-L156 HydrophobicContact CD1-CD2 3.85Å; I142-L156 HydrophobicContact CG1-CD2 4.16Å; I142-L196 HydrophobicContact CG2-CD2 4.46Å; I142-K231 PolarHBondContact N-O 3.25Å; I142-I232 HydrophobicContact CB-CG1 4.28Å; I142-I232 CarbonylContact O-C 3.24Å; I142-I232 VanDerWaalsContact O-CA 3.3Å; I142-I232 WeakPolarHBondContact O-CA 3.28Å; I142-S233 PolarHBondContact O-N 3.33Å; I142-S233 PolarHBondContact O-OG 2.88Å
143	E	93	Very high	91.4	Very high	148 Å²	148	60.1 Å²	60.1	69%	0.692	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.2	178.9	-170.9	172.7	-169.1	0	0	108.5	S233 A235	E143-S233 WeakPolarHBondContact CA-O 3.45Å; E143-A235 HydrophobicContact CG-CB 3.91Å
144	I	93.9	Very high	91.4	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.041	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	120.2	-175.4	-46.4	177.8	0	0	0	107.9	I142 A148 I154 F180 L196 L202 I232 S233 I234 A235	I142-I144 HydrophobicContact CG2-CD1 4.03Å; I142-I144 HydrophobicContact CG2-CG1 3.78Å; I144-A148 HydrophobicContact CG2-CB 3.71Å; I144-I154 HydrophobicContact CD1-CD1 3.88Å; I144-I154 HydrophobicContact CG1-CD1 4.2Å; I144-I154 HydrophobicContact CG2-CD1 4.37Å; I144-F180 HydrophobicContact CD1-CD1 4.38Å; I144-F180 HydrophobicContact CD1-CE1 3.61Å; I144-F180 HydrophobicContact CD1-CZ 4.21Å; I144-L196 HydrophobicContact CD1-CD2 3.95Å; I144-L202 HydrophobicContact CB-CD1 4.5Å; I144-L202 HydrophobicContact CG2-CD1 3.85Å; I144-I232 HydrophobicContact CD1-CG2 3.61Å; I144-I232 HydrophobicContact CG1-CG2 3.99Å; I144-S233 PolarHBondContact N-O 3Å; I144-S233 VanDerWaalsContact N-O 3.1Å; I144-I234 CarbonylContact O-C 3.35Å; I144-I234 VanDerWaalsContact O-CA 3.3Å; I144-I234 WeakPolarHBondContact O-CA 3.16Å; I144-A235 PolarHBondContact O-N 3.37Å
145	S	92.6	Very high	91.5	Very high	42 Å²	42	62.5 Å²	62.5	29%	0.294	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.8	171.3	168.3	0	0	0	0	110.3	S147 A148 A235 S237	S145-S147 PolarHBondContact O-N 2.84Å; S145-S147 PolarHBondContact OG-OG 2.96Å; S145-A148 WeakPolarHBondContact O-CB 3.43Å; S145-A148 PolarHBondContact O-N 2.83Å; S145-A235 VanDerWaalsContact CA-O 3.27Å; S145-A235 WeakPolarHBondContact CA-O 3.08Å; S145-S237 PolarHBondContact OG-OG 3.25Å
146	E	92.9	Very high	91.5	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.037	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.4	-179.3	71	-124.6	103.9	0	0	113.7	A148 L202 R204 I234 A235 D236 S237	E146-A148 PolarHBondContact O-N 3.11Å; E146-L202 HydrophobicContact CB-CB 4.02Å; E146-R204 WeakPolarHBondContact OE2-CB 3.24Å; E146-R204 PolarHBondContact OE2-N 2.98Å; E146-I234 HydrophobicContact CB-CG2 3.69Å; E146-A235 PolarHBondContact N-O 3.48Å; E146-A235 VanDerWaalsContact OE1-O 3.1Å; E146-D236 VanDerWaalsContact OE1-C 3.31Å; E146-D236 VanDerWaalsContact OE1-CA 3.3Å; E146-D236 WeakPolarHBondContact OE1-CA 3.5Å; E146-S237 VanDerWaalsContact OE1-CB 3.26Å; E146-S237 WeakPolarHBondContact OE1-CB 3.35Å; E146-S237 PolarHBondContact OE1-N 3.33Å; E146-S237 PolarHBondContact OE1-OG 2.91Å
147	S	91.1	Very high	91.4	Very high	88 Å²	88	60 Å²	60	62%	0.615	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	3.8	171	71.9	0	0	0	0	114.3	S145 A149	S145-S147 PolarHBondContact O-N 2.84Å; S145-S147 PolarHBondContact OG-OG 2.96Å; S147-A149 PolarHBondContact O-N 2.6Å
148	A	92.6	Very high	91.3	Very high	22 Å²	22	57.8 Å²	57.8	18%	0.182	36%	0.358	C	S	.	.			trans	-64.7	102.5	172.5	0	0	0	0	0	111.9	I144 S145 E146 A152	I144-A148 HydrophobicContact CG2-CB 3.71Å; S145-A148 WeakPolarHBondContact O-CB 3.43Å; S145-A148 PolarHBondContact O-N 2.83Å; E146-A148 PolarHBondContact O-N 3.11Å; A148-A152 HydrophobicContact CB-CB 4.38Å
149	A	91.4	Very high	91.4	Very high	75 Å²	75	53.9 Å²	53.9	62%	0.62	33%	0.327	S	S	*	.			trans	-49.2	143.2	-179.8	0	0	0	0	0	114.2	S147 G151 A152	S147-A149 PolarHBondContact O-N 2.6Å; A149-G151 PolarHBondContact O-N 2.91Å; A149-A152 WeakPolarHBondContact O-CB 3.29Å; A149-A152 PolarHBondContact O-N 3.33Å
150	I	92.2	Very high	91.2	Very high	93 Å²	93	54.5 Å²	54.5	48%	0.477	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	126.9	176.9	-60.4	177.8	0	0	0	110.4	E201	I150-E201 HydrophobicContact CD1-CG 4.47Å; I150-E201 WeakPolarHBondContact CD1-OE1 3.07Å
151	G	89.9	Confident	91.1	Very high	38 Å²	38	54.7 Å²	54.7	39%	0.392	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-1.3	-173.7	0	0	0	0	0	115.2	A149 V198	A149-G151 PolarHBondContact O-N 2.91Å; G151-V198 PolarHBondContact N-O 2.78Å
152	A	92.2	Very high	90.8	Very high	32 Å²	32	52 Å²	52	26%	0.264	31%	0.314	S	S	.	.			trans	-54.7	139.9	169.1	0	0	0	0	0	111.3	A148 A149 V197 V198	A148-A152 HydrophobicContact CB-CB 4.38Å; A149-A152 WeakPolarHBondContact O-CB 3.29Å; A149-A152 PolarHBondContact O-N 3.33Å; A152-V197 VanDerWaalsContact O-CA 3.3Å; A152-V197 WeakPolarHBondContact O-CA 3.26Å; A152-V198 HydrophobicContact CB-CB 4.45Å; A152-V198 HydrophobicContact CB-CG2 4.17Å; A152-V198 PolarHBondContact O-N 2.88Å
153	R	91.6	Very high	90.6	Very high	127 Å²	127	51.1 Å²	51.1	48%	0.479	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.8	-172.8	-73.7	164.2	172.9	-86.7	-5	110.2	D183 E195 L196 V197	R153-D183 IonicContact CZ-OD2 3.16Å; R153-D183 VanDerWaalsContact CZ-OD2 3.27Å; R153-D183 IonicContact NH1-OD2 2.65Å; R153-D183 PolarHBondContact NH1-OD2 2.78Å; R153-D183 IonicContact NH2-OD2 3.66Å; R153-D183 PolarHBondContact NH2-OD2 2.89Å; R153-E195 HydrophobicContact CB-CB 4.4Å; R153-E195 VanDerWaalsContact CD-OE2 3.26Å; R153-E195 WeakPolarHBondContact CD-OE2 3.45Å; R153-E195 IonicContact CZ-OE2 3.69Å; R153-E195 IonicContact NE-OE2 3.08Å; R153-E195 IonicContact NH1-OE2 2.8Å; R153-E195 PolarHBondContact NH1-OE2 2.86Å; R153-L196 CarbonylContact C-O 3.39Å; R153-L196 WeakPolarHBondContact CA-O 3.35Å; R153-V197 HydrophobicContact CG-CG1 4.4Å; R153-V197 HydrophobicContact CG-CG2 4.08Å
154	I	91.6	Very high	90.3	Very high	38 Å²	38	44.9 Å²	44.9	20%	0.195	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.4	173.5	-56	94.4	0	0	0	108.7	I142 I144 E195 L196 V198	I142-I154 HydrophobicContact CG2-CG2 4.21Å; I144-I154 HydrophobicContact CD1-CD1 3.88Å; I144-I154 HydrophobicContact CG1-CD1 4.2Å; I144-I154 HydrophobicContact CG2-CD1 4.37Å; I154-E195 CarbonylContact O-C 3.56Å; I154-E195 WeakPolarHBondContact O-CA 3.27Å; I154-L196 HydrophobicContact CB-CB 4.37Å; I154-L196 PolarHBondContact N-O 2.55Å; I154-L196 PolarHBondContact O-N 3.25Å; I154-V198 HydrophobicContact CD1-CG2 4.32Å
155	P	90.7	Very high	89.7	Confident	93 Å²	93	46.7 Å²	46.7	60%	0.604	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	133.8	177.2	28.8	-34.1	0	0	0	111.1
156	L	91.1	Very high	89.3	Confident	11 Å²	11	51.8 Å²	51.8	6%	0.058	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-98.7	151.1	175.9	-62.8	178	0	0	0	111.4	I142 S158 I182 A194 L196 Y214 L230	I142-L156 HydrophobicContact CD1-CD2 3.85Å; I142-L156 HydrophobicContact CG1-CD2 4.16Å; L156-S158 PolarHBondContact O-N 2.78Å; L156-I182 HydrophobicContact CD1-CG2 3.81Å; L156-A194 HydrophobicContact CD1-CB 4.28Å; L156-A194 PolarHBondContact N-O 3.26Å; L156-L196 HydrophobicContact CD1-CB 4.17Å; L156-L196 HydrophobicContact CD2-CB 4.1Å; L156-L196 HydrophobicContact CG-CB 4.12Å; L156-Y214 HydrophobicContact CB-CE1 4.19Å; L156-Y214 HydrophobicContact CD1-CD1 4.48Å; L156-Y214 HydrophobicContact CD1-CD2 4.19Å; L156-Y214 HydrophobicContact CD1-CE1 4.1Å; L156-Y214 HydrophobicContact CD1-CE2 3.78Å; L156-L230 HydrophobicContact CD1-CD1 4Å; L156-L230 HydrophobicContact CD2-CD1 4.16Å; L156-L230 HydrophobicContact CD2-CD2 4.25Å
157	D	86.7	Confident	89	Confident	65 Å²	65	52.8 Å²	52.8	35%	0.348	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-57.8	127.1	170.7	-71.3	-37.1	0	0	0	110.1	K137 I140	K137-D157 WeakPolarHBondContact CD-OD2 2.99Å; K137-D157 VanDerWaalsContact CE-OD2 3.32Å; K137-D157 WeakPolarHBondContact CE-OD2 3.4Å; K137-D157 IonicContact NZ-OD1 3.84Å; K137-D157 IonicContact NZ-OD2 2.68Å; K137-D157 PolarHBondContact NZ-OD2 3.19Å; I140-D157 HydrophobicContact CD1-CB 4.05Å
158	S	87.6	Confident	88.7	Confident	51 Å²	51	50.6 Å²	50.6	36%	0.357	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-74.1	142.1	177.7	55.4	0	0	0	0	111.9	L156 Y172	L156-S158 PolarHBondContact O-N 2.78Å; S158-Y172 WeakPolarHBondContact CA-OH 3.46Å; S158-Y172 VanDerWaalsContact CB-OH 3.27Å; S158-Y172 WeakPolarHBondContact CB-OH 3.45Å
159	A	89	Confident	88.5	Confident	7 Å²	7	50.7 Å²	50.7	6%	0.058	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.4	149	167.9	0	0	0	0	0	110.9	P133 H134 F135 L169 Y172 A216	P133-A159 HydrophobicContact CB-CB 4.33Å; H134-A159 CarbonylContact O-C 3.57Å; H134-A159 WeakPolarHBondContact O-CA 3.34Å; H134-A159 WeakPolarHBondContact O-CB 3.08Å; F135-A159 HydrophobicContact CD1-CB 3.97Å; F135-A159 HydrophobicContact CE1-CB 3.72Å; F135-A159 HydrophobicContact CZ-CB 4.07Å; A159-L169 HydrophobicContact CB-CD1 4.24Å; A159-L169 HydrophobicContact CB-CD2 4.45Å; A159-Y172 HydrophobicContact CB-CE1 3.83Å; A159-Y172 PolarHBondContact N-OH 3.19Å; A159-A216 HydrophobicContact CB-CB 3.46Å; A159-A216 VanDerWaalsContact CB-CB 3.46Å
160	T	88.1	Confident	88.3	Confident	82 Å²	82	51.1 Å²	51.1	50%	0.503	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-113	115.2	174.9	54.4	0	0	0	0	111.1	H134	H134-T160 PolarHBondContact N-O 2.91Å; H134-T160 PolarHBondContact ND1-O 2.89Å; H134-T160 PolarHBondContact O-N 2.9Å
161	D	89.4	Confident	88.1	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.032	28%	0.284	C	S	.	.			trans	-102.7	135.6	170.8	-134.6	-37.5	0	0	0	110.7	K98 P133 L169	K98-D161 WeakPolarHBondContact CE-O 3.39Å; K98-D161 PolarHBondContact NZ-O 2.89Å; P133-D161 WeakPolarHBondContact CD-OD2 3.23Å; P133-D161 VanDerWaalsContact CG-OD2 3.28Å; P133-D161 WeakPolarHBondContact CG-OD2 3.2Å; D161-L169 HydrophobicContact CB-CB 4.1Å; D161-L169 PolarHBondContact OD2-N 2.84Å
162	P	87.1	Confident	88.2	Confident	37 Å²	37	47.2 Å²	47.2	24%	0.24	27%	0.267	C	S	.	.			trans	-73	-33.9	170.3	-20.8	35.7	0	0	0	114	R92 E93 N131	R92-P162 PolarHBondContact NH2-O 3.45Å; E93-P162 HydrophobicContact CB-CB 4.38Å; E93-P162 HydrophobicContact CG-CB 3.61Å; N131-P162 HydrophobicContact CB-CB 4.27Å; N131-P162 HydrophobicContact CB-CG 3.76Å
163	D	88.8	Confident	88.1	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.011	28%	0.275	C	S	.	.			trans	-70.6	157.6	-168.6	-59.3	2.2	0	0	0	111.1	N129 D130 N131 N167 S168	N129-D163 WeakPolarHBondContact CA-OD2 3.44Å; D130-D163 PolarHBondContact N-OD2 3.26Å; N131-D163 VanDerWaalsContact CB-OD1 3.26Å; N131-D163 WeakPolarHBondContact CB-OD1 3.25Å; N131-D163 PolarHBondContact N-OD2 3.1Å; N131-D163 PolarHBondContact ND2-OD1 2.79Å; D163-N167 HydrophobicContact CB-CB 3.94Å; D163-S168 WeakPolarHBondContact O-CB 3.47Å
164	V	85	Confident	88.2	Confident	18 Å²	18	43.4 Å²	43.4	11%	0.109	26%	0.259	C	S	.	.			trans	-120.6	164	-174.5	-58.3	0	0	0	0	114	L100 D127 E166 N167	L100-V164 HydrophobicContact CD2-CB 4.06Å; L100-V164 HydrophobicContact CD2-CG2 4.29Å; D127-V164 HydrophobicContact CB-CG2 3.94Å; D127-V164 VanDerWaalsContact OD1-CG2 3.31Å; D127-V164 WeakPolarHBondContact OD1-CG2 3.41Å; D127-V164 PolarHBondContact OD1-N 2.83Å; V164-E166 PolarHBondContact O-N 3.48Å; V164-N167 PolarHBondContact O-N 2.89Å
165	G	83.3	Confident	88.3	Confident	46 Å²	46	45.9 Å²	45.9	47%	0.474	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-128.3	179.5	0	0	0	0	0	112.2	S168	G165-S168 PolarHBondContact O-N 3.04Å; G165-S168 PolarHBondContact O-OG 2.96Å
166	E	83	Confident	88.2	Confident	149 Å²	149	47.7 Å²	47.7	70%	0.696	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20	-177.3	-58.8	-161.1	130.2	0	0	113.8	V164 S168 R219	V164-E166 PolarHBondContact O-N 3.48Å; E166-S168 VanDerWaalsContact C-N 3.33Å; E166-R219 CarbonylContact O-C 3.54Å; E166-R219 WeakPolarHBondContact O-CA 3.48Å; E166-R219 WeakPolarHBondContact O-CB 3.19Å; E166-R219 PolarHBondContact O-N 2.78Å
167	N	85.8	Confident	88.1	Confident	29 Å²	29	49.1 Å²	49.1	16%	0.155	29%	0.289	C	S	.	.	S	Bend	trans	-80.9	-16.5	174.2	-60.3	-32	0	0	0	112	D127 I128 N129 D163 V164 D218 G220	D127-N167 VanDerWaalsContact OD2-CB 3.29Å; D127-N167 WeakPolarHBondContact OD2-CB 3.42Å; D127-N167 PolarHBondContact OD2-ND2 2.63Å; I128-N167 VanDerWaalsContact C-ND2 3.33Å; I128-N167 WeakPolarHBondContact CA-ND2 3.49Å; N129-N167 HydrophobicContact CB-CB 4Å; N129-N167 PolarHBondContact N-ND2 2.69Å; N129-N167 WeakPolarHBondContact OD1-CB 3.18Å; N129-N167 PolarHBondContact OD1-O 2.96Å; D163-N167 HydrophobicContact CB-CB 3.94Å; V164-N167 PolarHBondContact O-N 2.89Å; N167-D218 VanDerWaalsContact O-CB 3.27Å; N167-D218 WeakPolarHBondContact O-CB 3.31Å; N167-G220 VanDerWaalsContact OD1-CA 3.24Å; N167-G220 WeakPolarHBondContact OD1-CA 3.44Å
168	S	86.4	Confident	88.2	Confident	42 Å²	42	51 Å²	51	29%	0.294	30%	0.299	S	S	.	.	S	Bend	trans	-68.2	153.6	174.3	75.8	0	0	0	0	113.1	D163 G165 E166 Y170	D163-S168 WeakPolarHBondContact O-CB 3.47Å; G165-S168 PolarHBondContact O-N 3.04Å; G165-S168 PolarHBondContact O-OG 2.96Å; E166-S168 VanDerWaalsContact C-N 3.33Å; S168-Y170 PolarHBondContact O-N 2.98Å
169	L	88.1	Confident	88.4	Confident	23 Å²	23	50.1 Å²	50.1	12%	0.12	29%	0.29	C	S	.	.			trans	-28.2	107.2	170.8	174.4	67.8	0	0	0	113.8	P133 A159 D161 Y172 A216	P133-L169 HydrophobicContact CB-CD1 4.28Å; A159-L169 HydrophobicContact CB-CD1 4.24Å; A159-L169 HydrophobicContact CB-CD2 4.45Å; D161-L169 HydrophobicContact CB-CB 4.1Å; D161-L169 PolarHBondContact OD2-N 2.84Å; L169-Y172 HydrophobicContact CD1-CE1 4.28Å; L169-Y172 HydrophobicContact CD2-CE1 4.45Å; L169-Y172 HydrophobicContact CD2-CE2 4.25Å; L169-Y172 WeakPolarHBondContact CD2-OH 3.46Å; L169-A216 HydrophobicContact CD1-CB 3.77Å
170	Y	85.8	Confident	88.6	Confident	85 Å²	85	50 Å²	50	33%	0.333	29%	0.288	S	S	.	.			trans	-89.9	-50.8	-178.5	168.6	-124.3	0	0	0	112.7	S168 K192 S217 D218 R219	S168-Y170 PolarHBondContact O-N 2.98Å; Y170-K192 WeakPolarHBondContact O-CD 3.44Å; Y170-K192 PolarHBondContact O-NZ 3.21Å; Y170-S217 PolarHBondContact N-O 2.99Å; Y170-D218 WeakPolarHBondContact CB-O 3.29Å; Y170-R219 HydrophobicContact CD1-CG 3.7Å; Y170-R219 HydrophobicContact CD2-CG 4.11Å; Y170-R219 VanDerWaalsContact CD2-NE 3.29Å; Y170-R219 HydrophobicContact CE1-CG 4.38Å; Y170-R219 VanDerWaalsContact CE2-NE 3.26Å; Y170-R219 VanDerWaalsContact CE2-NH1 3.34Å; Y170-R219 HydrophobicContact CG-CB 4.22Å; Y170-R219 HydrophobicContact CG-CG 3.56Å; Y170-R219 VanDerWaalsContact CZ-NH1 3.3Å; Y170-R219 PolarHBondContact OH-NH1 3.49Å
171	T	89.3	Confident	88.8	Confident	40 Å²	40	50.9 Å²	50.9	25%	0.245	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	168.9	-174.5	-165.7	0	0	0	0	111.9	S217	T171-S217 VanDerWaalsContact CG2-OG 3.26Å; T171-S217 WeakPolarHBondContact CG2-OG 3.3Å; T171-S217 PolarHBondContact N-O 3.41Å; T171-S217 PolarHBondContact O-N 2.97Å; T171-S217 PolarHBondContact O-OG 3.23Å
172	Y	91.8	Very high	89	Confident	9 Å²	9	52 Å²	52	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	159.3	167.7	-56.6	-87.1	0	0	0	110.5	F135 S158 A159 L169 V184 K192 A194 Y214 T215 A216	F135-Y172 HydrophobicContact CE1-CD1 4.43Å; F135-Y172 HydrophobicContact CE1-CE1 4.04Å; F135-Y172 HydrophobicContact CZ-CD1 4.18Å; F135-Y172 HydrophobicContact CZ-CE1 4.18Å; S158-Y172 WeakPolarHBondContact CA-OH 3.46Å; S158-Y172 VanDerWaalsContact CB-OH 3.27Å; S158-Y172 WeakPolarHBondContact CB-OH 3.45Å; A159-Y172 HydrophobicContact CB-CE1 3.83Å; A159-Y172 PolarHBondContact N-OH 3.19Å; L169-Y172 HydrophobicContact CD1-CE1 4.28Å; L169-Y172 HydrophobicContact CD2-CE1 4.45Å; L169-Y172 HydrophobicContact CD2-CE2 4.25Å; L169-Y172 WeakPolarHBondContact CD2-OH 3.46Å; Y172-V184 HydrophobicContact CD2-CG1 4.07Å; Y172-V184 HydrophobicContact CD2-CG2 4.21Å; Y172-K192 HydrophobicContact CE2-CB 4.35Å; Y172-K192 PolarHBondContact OH-O 3.02Å; Y172-A194 HydrophobicContact CD2-CB 3.93Å; Y172-A194 HydrophobicContact CE2-CB 4.43Å; Y172-A194 HydrophobicContact CG-CB 4.14Å; Y172-Y214 HydrophobicContact CD1-CE1 4.49Å; Y172-Y214 AromaticContact CD1-CE2 3.75Å; Y172-Y214 HydrophobicContact CD1-CE2 3.75Å; Y172-Y214 AromaticContact CD1-CZ 3.59Å; Y172-Y214 VanDerWaalsContact CD1-OH 3.25Å; Y172-Y214 WeakPolarHBondContact CD1-OH 3.03Å; Y172-Y214 WeakPolarHBondContact CE1-OH 3.15Å; Y172-Y214 AromaticContact CG-CE2 3.97Å; Y172-Y214 HydrophobicContact CG-CE2 3.97Å; Y172-T215 CarbonylContact C-O 3.59Å; Y172-T215 VanDerWaalsContact CA-O 3.27Å; Y172-T215 WeakPolarHBondContact CA-O 3.16Å; Y172-A216 HydrophobicContact CD1-CB 3.81Å; Y172-A216 HydrophobicContact CE1-CB 3.93Å
173	A	91.1	Very high	89.2	Confident	52 Å²	52	52.4 Å²	52.4	43%	0.43	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.1	169.9	0	0	0	0	0	109.4	T215	A173-T215 PolarHBondContact N-O 3.38Å; A173-T215 PolarHBondContact O-N 3.48Å
174	L	93.3	Very high	89.3	Confident	27 Å²	27	54.6 Å²	54.6	14%	0.141	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.8	170.9	-176.3	69.7	0	0	0	108.8	F180 I182 L196 L212 L230	L174-F180 HydrophobicContact CD2-CB 4.25Å; L174-I182 HydrophobicContact CB-CD1 4.18Å; L174-I182 HydrophobicContact CB-CG1 3.97Å; L174-I182 HydrophobicContact CB-CG2 4.04Å; L174-I182 HydrophobicContact CD2-CG2 4.22Å; L174-L196 HydrophobicContact CD2-CD1 3.75Å; L174-L212 HydrophobicContact CD1-CB 4.04Å; L174-L212 HydrophobicContact CD1-CD1 4.47Å; L174-L212 HydrophobicContact CD2-CD1 4.36Å; L174-L230 HydrophobicContact CD1-CD1 3.73Å
175	E	92.3	Very high	89.3	Confident	90 Å²	90	56.8 Å²	56.8	42%	0.421	31%	0.314	S	S	.	.			trans	-51	129.6	170.9	-171.6	169.9	-177.9	0	0	112.4	N177 L212 Q213	E175-N177 PolarHBondContact O-N 3.4Å; E175-N177 VanDerWaalsContact O-N 3.14Å; E175-N177 PolarHBondContact O-ND2 2.86Å; E175-L212 HydrophobicContact CB-CD2 4.48Å; E175-L212 WeakPolarHBondContact OE2-CA 3.4Å; E175-Q213 HydrophobicContact CB-CB 4.32Å; E175-Q213 PolarHBondContact N-O 3.46Å; E175-Q213 PolarHBondContact OE2-N 3.34Å
176	P	88.6	Confident	89.4	Confident	130 Å²	130	58.2 Å²	58.2	84%	0.844	32%	0.316	S	S	*	.			trans	-60.6	115.7	-178	-24.8	34.7	0	0	0	112.6
177	N	89.6	Confident	89.2	Confident	41 Å²	41	57.7 Å²	57.7	22%	0.219	31%	0.308	C	S	.	.			trans	-145	171.4	-179	76.7	88.6	0	0	0	110.8	E175 N179 F180 L212	E175-N177 PolarHBondContact O-N 3.4Å; E175-N177 VanDerWaalsContact O-N 3.14Å; E175-N177 PolarHBondContact O-ND2 2.86Å; N177-N179 PolarHBondContact OD1-N 2.76Å; N177-F180 PolarHBondContact ND2-O 3.15Å; N177-F180 PolarHBondContact OD1-N 3.06Å; N177-F180 PolarHBondContact OD1-O 3.23Å; N177-L212 HydrophobicContact CB-CD2 4.1Å
178	N	89.4	Confident	88.8	Confident	106 Å²	106	62.7 Å²	62.7	57%	0.567	35%	0.345	S	S	*	.	S	Bend	trans	-94.8	-16.1	-172.1	-71.8	-39.1	0	0	0	115.1	R200	N178-R200 WeakPolarHBondContact O-CD 3.44Å; N178-R200 WeakPolarHBondContact O-CG 3.42Å; N178-R200 PolarHBondContact O-NE 3Å; N178-R200 VanDerWaalsContact O-NE 3.12Å
179	N	91.2	Very high	88	Confident	32 Å²	32	65.3 Å²	65.3	17%	0.171	36%	0.356	C	S	.	.	S	Bend	trans	-108.2	-24.1	-167.1	-64	76.9	0	0	0	112.6	N177 L199 L202 Y210	N177-N179 PolarHBondContact OD1-N 2.76Å; N179-L199 WeakPolarHBondContact O-CB 3.06Å; N179-L199 PolarHBondContact O-N 2.92Å; N179-L202 HydrophobicContact CB-CD2 4.12Å; N179-Y210 HydrophobicContact CB-CE1 4.3Å
180	F	93.5	Very high	87.3	Confident	3 Å²	3	66.8 Å²	66.8	1%	0.013	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.9	-176.8	-50.1	-80.8	0	0	0	111.8	I144 L174 N177 L196 V197 V198 L202 Y210 L212 I232 I234	I144-F180 HydrophobicContact CD1-CD1 4.38Å; I144-F180 HydrophobicContact CD1-CE1 3.61Å; I144-F180 HydrophobicContact CD1-CZ 4.21Å; L174-F180 HydrophobicContact CD2-CB 4.25Å; N177-F180 PolarHBondContact ND2-O 3.15Å; N177-F180 PolarHBondContact OD1-N 3.06Å; N177-F180 PolarHBondContact OD1-O 3.23Å; F180-L196 HydrophobicContact CB-CD1 3.87Å; F180-L196 HydrophobicContact CB-CG 4.33Å; F180-L196 HydrophobicContact CD1-CD2 4.1Å; F180-L196 HydrophobicContact CD1-CG 4.21Å; F180-L196 HydrophobicContact CG-CD1 4.43Å; F180-V197 WeakPolarHBondContact CA-O 3.38Å; F180-V198 HydrophobicContact CD1-CG2 4.37Å; F180-V198 HydrophobicContact CE1-CG2 4.27Å; F180-L202 HydrophobicContact CE1-CD1 3.92Å; F180-L202 HydrophobicContact CE1-CD2 3.97Å; F180-L202 HydrophobicContact CE2-CD2 4.32Å; F180-L202 HydrophobicContact CZ-CD1 4.07Å; F180-L202 HydrophobicContact CZ-CD2 3.6Å; F180-Y210 AromaticContact CE2-CD1 4Å; F180-Y210 HydrophobicContact CE2-CD1 4Å; F180-Y210 AromaticContact CE2-CD2 3.88Å; F180-Y210 HydrophobicContact CE2-CD2 3.88Å; F180-Y210 HydrophobicContact CE2-CE1 4.23Å; F180-Y210 HydrophobicContact CE2-CE2 4.16Å; F180-Y210 AromaticContact CE2-CG 3.83Å; F180-Y210 HydrophobicContact CE2-CG 3.83Å; F180-Y210 HydrophobicContact CZ-CD2 4.29Å; F180-Y210 HydrophobicContact CZ-CE2 4.44Å; F180-L212 HydrophobicContact CD2-CD1 3.99Å; F180-I232 HydrophobicContact CD2-CD1 3.98Å; F180-I232 HydrophobicContact CE1-CD1 4.4Å; F180-I232 HydrophobicContact CE2-CD1 3.87Å; F180-I232 HydrophobicContact CG-CD1 4.3Å; F180-I232 HydrophobicContact CZ-CD1 4.09Å; F180-I232 HydrophobicContact CZ-CG2 4.17Å; F180-I234 HydrophobicContact CZ-CD1 4.41Å
181	K	93.1	Very high	86.9	Confident	101 Å²	101	66.1 Å²	66.1	44%	0.439	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	174.4	160.1	62.1	176.4	168	-170.1	0	109.5	V197 L199	K181-V197 HydrophobicContact CD-CB 4.4Å; K181-V197 HydrophobicContact CG-CB 3.82Å; K181-V197 HydrophobicContact CG-CG2 4.42Å; K181-V197 PolarHBondContact N-O 2.99Å; K181-V197 PolarHBondContact O-N 3.45Å; K181-L199 HydrophobicContact CB-CD1 4.11Å; K181-L199 HydrophobicContact CB-CD2 4.43Å; K181-L199 HydrophobicContact CB-CG 4.32Å; K181-L199 HydrophobicContact CD-CD2 3.75Å; K181-L199 HydrophobicContact CG-CD1 4.4Å; K181-L199 HydrophobicContact CG-CD2 3.86Å; K181-L199 HydrophobicContact CG-CG 4.09Å
182	I	93.3	Very high	86.6	Confident	31 Å²	31	66.8 Å²	66.8	16%	0.159	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.9	157.5	53.6	170.9	0	0	0	110.7	L156 L174 V184 A194 E195 L196 Y214	L156-I182 HydrophobicContact CD1-CG2 3.81Å; L174-I182 HydrophobicContact CB-CD1 4.18Å; L174-I182 HydrophobicContact CB-CG1 3.97Å; L174-I182 HydrophobicContact CB-CG2 4.04Å; L174-I182 HydrophobicContact CD2-CG2 4.22Å; I182-V184 HydrophobicContact CD1-CG2 4.3Å; I182-A194 HydrophobicContact CB-CB 4.31Å; I182-A194 HydrophobicContact CG2-CB 4.37Å; I182-E195 CarbonylContact C-O 3.46Å; I182-E195 VanDerWaalsContact CA-O 3.29Å; I182-E195 WeakPolarHBondContact CA-O 3.39Å; I182-L196 HydrophobicContact CG2-CD1 4.19Å; I182-Y214 HydrophobicContact CD1-CD2 4.46Å; I182-Y214 HydrophobicContact CD1-CE2 4.2Å; I182-Y214 HydrophobicContact CG2-CE2 4.44Å
183	D	91.3	Very high	86.3	Confident	45 Å²	45	69.2 Å²	69.2	24%	0.241	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.9	166.9	-172.2	25.7	0	0	0	108.1	R153 Q185 A194 E195 V197	R153-D183 IonicContact CZ-OD2 3.16Å; R153-D183 VanDerWaalsContact CZ-OD2 3.27Å; R153-D183 IonicContact NH1-OD2 2.65Å; R153-D183 PolarHBondContact NH1-OD2 2.78Å; R153-D183 IonicContact NH2-OD2 3.66Å; R153-D183 PolarHBondContact NH2-OD2 2.89Å; D183-Q185 PolarHBondContact OD2-NE2 2.92Å; D183-A194 WeakPolarHBondContact O-CA 3.01Å; D183-E195 PolarHBondContact N-O 2.92Å; D183-E195 PolarHBondContact O-N 2.91Å; D183-V197 HydrophobicContact CB-CG2 3.77Å
184	V	90.3	Very high	86.3	Confident	47 Å²	47	66.7 Å²	66.7	29%	0.285	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.2	-172.5	179.1	0	0	0	0	109.5	Y172 I182	Y172-V184 HydrophobicContact CD2-CG1 4.07Å; Y172-V184 HydrophobicContact CD2-CG2 4.21Å; I182-V184 HydrophobicContact CD1-CG2 4.3Å
185	Q	85.4	Confident	86.3	Confident	65 Å²	65	67 Å²	67	30%	0.304	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.5	-176.4	-68	-62.5	-23.4	0	0	111.2	D183 K192 Y193	D183-Q185 PolarHBondContact OD2-NE2 2.92Å; Q185-K192 WeakPolarHBondContact O-CA 3.46Å; Q185-Y193 HydrophobicContact CB-CD1 4.3Å; Q185-Y193 HydrophobicContact CB-CD2 4.41Å; Q185-Y193 HydrophobicContact CB-CE1 3.72Å; Q185-Y193 HydrophobicContact CB-CE2 3.88Å; Q185-Y193 VanDerWaalsContact CB-CZ 3.49Å; Q185-Y193 PolarHBondContact N-O 3.09Å; Q185-Y193 PolarHBondContact O-N 2.91Å; Q185-Y193 VanDerWaalsContact O-O 3.09Å
186	S	84.9	Confident	86.3	Confident	75 Å²	75	62.8 Å²	62.8	52%	0.524	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.9	177.3	-58.6	0	0	0	0	109.1
187	R	78.9	Confident	86.5	Confident	138 Å²	138	56.8 Å²	56.8	52%	0.521	31%	0.312	S	S	.	.			trans	-77	162.8	177.5	-178.9	-175.8	-70.6	165.8	2.7	110.3	D189 G190 V191 Y193	R187-D189 WeakPolarHBondContact CB-OD1 3.39Å; R187-D189 WeakPolarHBondContact CD-OD1 3.46Å; R187-D189 WeakPolarHBondContact CD-OD2 3.46Å; R187-D189 VanDerWaalsContact CG-OD1 3.28Å; R187-D189 WeakPolarHBondContact CG-OD1 3.27Å; R187-D189 IonicContact NH1-OD2 2.75Å; R187-D189 PolarHBondContact O-N 2.92Å; R187-D189 VanDerWaalsContact O-N 3.12Å; R187-G190 PolarHBondContact O-N 2.89Å; R187-V191 PolarHBondContact N-O 3.17Å; R187-Y193 HydrophobicContact CB-CE1 4.18Å
188	S	77.1	Confident	86.7	Confident	135 Å²	135	54.9 Å²	54.9	94%	0.944	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.6	-179.3	48.4	0	0	0	0	115.6
189	D	69.7	Low	86.8	Confident	96 Å²	96	53 Å²	53	51%	0.513	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.3	171	54.3	13.6	0	0	0	113	R187 V191	R187-D189 WeakPolarHBondContact CB-OD1 3.39Å; R187-D189 WeakPolarHBondContact CD-OD1 3.46Å; R187-D189 WeakPolarHBondContact CD-OD2 3.46Å; R187-D189 VanDerWaalsContact CG-OD1 3.28Å; R187-D189 WeakPolarHBondContact CG-OD1 3.27Å; R187-D189 IonicContact NH1-OD2 2.75Å; R187-D189 PolarHBondContact O-N 2.92Å; R187-D189 VanDerWaalsContact O-N 3.12Å; D189-V191 VanDerWaalsContact C-N 3.32Å; D189-V191 WeakPolarHBondContact OD1-CB 3.18Å; D189-V191 WeakPolarHBondContact OD1-CG2 3.38Å; D189-V191 PolarHBondContact OD1-N 2.87Å
190	G	73.2	Confident	86.8	Confident	54 Å²	54	58.1 Å²	58.1	56%	0.557	31%	0.308	S	S	*	.	S	Bend	trans	85.5	-5.2	-176.2	0	0	0	0	0	114.5	R187	R187-G190 PolarHBondContact O-N 2.89Å
191	V	78.3	Confident	86.6	Confident	72 Å²	72	65.1 Å²	65.1	44%	0.436	34%	0.341	S	S	.	.			trans	-73.5	132.7	-177.9	-179	0	0	0	0	110.6	R187 D189	R187-V191 PolarHBondContact N-O 3.17Å; D189-V191 VanDerWaalsContact C-N 3.32Å; D189-V191 WeakPolarHBondContact OD1-CB 3.18Å; D189-V191 WeakPolarHBondContact OD1-CG2 3.38Å; D189-V191 PolarHBondContact OD1-N 2.87Å
192	K	82.3	Confident	86.6	Confident	53 Å²	53	60.9 Å²	60.9	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.7	-179.6	-59.3	-171.3	-174.1	-175.2	0	112.1	Y170 Y172 Q185	Y170-K192 WeakPolarHBondContact O-CD 3.44Å; Y170-K192 PolarHBondContact O-NZ 3.21Å; Y172-K192 HydrophobicContact CE2-CB 4.35Å; Y172-K192 PolarHBondContact OH-O 3.02Å; Q185-K192 WeakPolarHBondContact O-CA 3.46Å
193	Y	86.7	Confident	86.6	Confident	60 Å²	60	62.8 Å²	62.8	24%	0.235	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159.1	174.6	64.6	-76.2	0	0	0	109.3	Q185 R187 E195	Q185-Y193 HydrophobicContact CB-CD1 4.3Å; Q185-Y193 HydrophobicContact CB-CD2 4.41Å; Q185-Y193 HydrophobicContact CB-CE1 3.72Å; Q185-Y193 HydrophobicContact CB-CE2 3.88Å; Q185-Y193 VanDerWaalsContact CB-CZ 3.49Å; Q185-Y193 PolarHBondContact N-O 3.09Å; Q185-Y193 PolarHBondContact O-N 2.91Å; Q185-Y193 VanDerWaalsContact O-O 3.09Å; R187-Y193 HydrophobicContact CB-CE1 4.18Å; Y193-E195 HydrophobicContact CD2-CG 4.24Å; Y193-E195 HydrophobicContact CE2-CG 3.96Å; Y193-E195 WeakPolarHBondContact CE2-OE1 3.32Å
194	A	90.4	Very high	86.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146	174.2	0	0	0	0	0	110.1	L156 Y172 I182 D183 Y214	L156-A194 HydrophobicContact CD1-CB 4.28Å; L156-A194 PolarHBondContact N-O 3.26Å; Y172-A194 HydrophobicContact CD2-CB 3.93Å; Y172-A194 HydrophobicContact CE2-CB 4.43Å; Y172-A194 HydrophobicContact CG-CB 4.14Å; I182-A194 HydrophobicContact CB-CB 4.31Å; I182-A194 HydrophobicContact CG2-CB 4.37Å; D183-A194 WeakPolarHBondContact O-CA 3.01Å; A194-Y214 HydrophobicContact CB-CE2 4.04Å; A194-Y214 WeakPolarHBondContact CB-OH 3.1Å
195	E	92.4	Very high	86.9	Confident	34 Å²	34	63.5 Å²	63.5	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.2	166.3	-63.9	178.6	171.9	0	0	107.9	R153 I154 I182 D183 Y193 V197	R153-E195 HydrophobicContact CB-CB 4.4Å; R153-E195 VanDerWaalsContact CD-OE2 3.26Å; R153-E195 WeakPolarHBondContact CD-OE2 3.45Å; R153-E195 IonicContact CZ-OE2 3.69Å; R153-E195 IonicContact NE-OE2 3.08Å; R153-E195 IonicContact NH1-OE2 2.8Å; R153-E195 PolarHBondContact NH1-OE2 2.86Å; I154-E195 CarbonylContact O-C 3.56Å; I154-E195 WeakPolarHBondContact O-CA 3.27Å; I182-E195 CarbonylContact C-O 3.46Å; I182-E195 VanDerWaalsContact CA-O 3.29Å; I182-E195 WeakPolarHBondContact CA-O 3.39Å; D183-E195 PolarHBondContact N-O 2.92Å; D183-E195 PolarHBondContact O-N 2.91Å; Y193-E195 HydrophobicContact CD2-CG 4.24Å; Y193-E195 HydrophobicContact CE2-CG 3.96Å; Y193-E195 WeakPolarHBondContact CE2-OE1 3.32Å; E195-V197 PolarHBondContact O-N 3.44Å
196	L	93.4	Very high	87.1	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.3	168.3	-170.1	73.9	0	0	0	107.8	I142 I144 R153 I154 L156 L174 F180 I182 L230 I232	I142-L196 HydrophobicContact CG2-CD2 4.46Å; I144-L196 HydrophobicContact CD1-CD2 3.95Å; R153-L196 CarbonylContact C-O 3.39Å; R153-L196 WeakPolarHBondContact CA-O 3.35Å; I154-L196 HydrophobicContact CB-CB 4.37Å; I154-L196 PolarHBondContact N-O 2.55Å; I154-L196 PolarHBondContact O-N 3.25Å; L156-L196 HydrophobicContact CD1-CB 4.17Å; L156-L196 HydrophobicContact CD2-CB 4.1Å; L156-L196 HydrophobicContact CG-CB 4.12Å; L174-L196 HydrophobicContact CD2-CD1 3.75Å; F180-L196 HydrophobicContact CB-CD1 3.87Å; F180-L196 HydrophobicContact CB-CG 4.33Å; F180-L196 HydrophobicContact CD1-CD2 4.1Å; F180-L196 HydrophobicContact CD1-CG 4.21Å; F180-L196 HydrophobicContact CG-CD1 4.43Å; I182-L196 HydrophobicContact CG2-CD1 4.19Å; L196-L230 HydrophobicContact CD1-CD1 4.26Å; L196-I232 HydrophobicContact CD2-CD1 3.85Å; L196-I232 HydrophobicContact CD2-CG1 4.49Å
197	V	92.6	Very high	87.4	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.024	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.2	-177	-167	0	0	0	0	110.5	A152 R153 F180 K181 D183 E195	A152-V197 VanDerWaalsContact O-CA 3.3Å; A152-V197 WeakPolarHBondContact O-CA 3.26Å; R153-V197 HydrophobicContact CG-CG1 4.4Å; R153-V197 HydrophobicContact CG-CG2 4.08Å; F180-V197 WeakPolarHBondContact CA-O 3.38Å; K181-V197 HydrophobicContact CD-CB 4.4Å; K181-V197 HydrophobicContact CG-CB 3.82Å; K181-V197 HydrophobicContact CG-CG2 4.42Å; K181-V197 PolarHBondContact N-O 2.99Å; K181-V197 PolarHBondContact O-N 3.45Å; D183-V197 HydrophobicContact CB-CG2 3.77Å; E195-V197 PolarHBondContact O-N 3.44Å
198	V	94.1	Very high	88	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.2	176	-179.2	0	0	0	0	109.9	G151 A152 I154 F180 R200 L202	G151-V198 PolarHBondContact N-O 2.78Å; A152-V198 HydrophobicContact CB-CB 4.45Å; A152-V198 HydrophobicContact CB-CG2 4.17Å; A152-V198 PolarHBondContact O-N 2.88Å; I154-V198 HydrophobicContact CD1-CG2 4.32Å; F180-V198 HydrophobicContact CD1-CG2 4.37Å; F180-V198 HydrophobicContact CE1-CG2 4.27Å; V198-R200 WeakPolarHBondContact CG1-O 3.45Å; V198-L202 HydrophobicContact CG1-CD1 4.2Å; V198-L202 HydrophobicContact CG1-CG 4.2Å; V198-L202 HydrophobicContact CG2-CD1 4.28Å
199	L	91.5	Very high	88.8	Confident	67 Å²	67	60.9 Å²	60.9	35%	0.351	32%	0.316	S	S	.	.			trans	-104.6	-21.8	-176	-74.5	179.8	0	0	0	114.6	N179 K181	N179-L199 WeakPolarHBondContact O-CB 3.06Å; N179-L199 PolarHBondContact O-N 2.92Å; K181-L199 HydrophobicContact CB-CD1 4.11Å; K181-L199 HydrophobicContact CB-CD2 4.43Å; K181-L199 HydrophobicContact CB-CG 4.32Å; K181-L199 HydrophobicContact CD-CD2 3.75Å; K181-L199 HydrophobicContact CG-CD1 4.4Å; K181-L199 HydrophobicContact CG-CD2 3.86Å; K181-L199 HydrophobicContact CG-CG 4.09Å
200	R	90.3	Very high	89.9	Confident	139 Å²	139	57.1 Å²	57.1	53%	0.525	30%	0.295	S	S	.	.	S	Bend	trans	-145.4	162.3	-176.4	-62.4	-175.6	-176.2	-143	-2	108.2	N178 V198	N178-R200 WeakPolarHBondContact O-CD 3.44Å; N178-R200 WeakPolarHBondContact O-CG 3.42Å; N178-R200 PolarHBondContact O-NE 3Å; N178-R200 VanDerWaalsContact O-NE 3.12Å; V198-R200 WeakPolarHBondContact CG1-O 3.45Å
201	E	90.6	Very high	90.8	Very high	151 Å²	151	59.3 Å²	59.3	71%	0.706	29%	0.29	S	S	*	.			trans	-51.2	148.5	163.2	-72.9	102.7	-150.5	0	0	110.6	I150	I150-E201 HydrophobicContact CD1-CG 4.47Å; I150-E201 WeakPolarHBondContact CD1-OE1 3.07Å
202	L	92.9	Very high	91.6	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	27%	0.273	C	S	.	.			trans	-108.4	159.3	174.5	-59.4	173.4	0	0	0	107.1	I144 E146 N179 F180 V198 I234	I144-L202 HydrophobicContact CB-CD1 4.5Å; I144-L202 HydrophobicContact CG2-CD1 3.85Å; E146-L202 HydrophobicContact CB-CB 4.02Å; N179-L202 HydrophobicContact CB-CD2 4.12Å; F180-L202 HydrophobicContact CE1-CD1 3.92Å; F180-L202 HydrophobicContact CE1-CD2 3.97Å; F180-L202 HydrophobicContact CE2-CD2 4.32Å; F180-L202 HydrophobicContact CZ-CD1 4.07Å; F180-L202 HydrophobicContact CZ-CD2 3.6Å; V198-L202 HydrophobicContact CG1-CD1 4.2Å; V198-L202 HydrophobicContact CG1-CG 4.2Å; V198-L202 HydrophobicContact CG2-CD1 4.28Å; L202-I234 HydrophobicContact CD1-CD1 4.11Å
203	D	92.6	Very high	92.1	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	28%	0.284	S	S	.	.			trans	-161.2	111.1	-166.2	170.3	-29	0	0	0	105.8	E205 V206 R207	D203-E205 PolarHBondContact OD1-N 2.95Å; D203-V206 HydrophobicContact CB-CB 4.43Å; D203-V206 WeakPolarHBondContact OD1-CB 3.41Å; D203-V206 VanDerWaalsContact OD1-CG2 3.29Å; D203-V206 WeakPolarHBondContact OD1-CG2 3.37Å; D203-V206 PolarHBondContact OD1-N 2.56Å; D203-V206 WeakPolarHBondContact OD2-CG2 3.4Å; D203-R207 CarbonylContact O-C 3.46Å; D203-R207 PolarHBondContact O-N 2.82Å
204	R	93.6	Very high	92.4	Very high	36 Å²	36	55.8 Å²	55.8	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-78.5	-33.7	-174.4	-175.8	-150.1	67.5	116.6	0.7	111.2	E146 V206 R207 S208 I234 D236 A271 D272 D273	E146-R204 WeakPolarHBondContact OE2-CB 3.24Å; E146-R204 PolarHBondContact OE2-N 2.98Å; R204-V206 VanDerWaalsContact C-N 3.34Å; R204-V206 PolarHBondContact O-N 3.25Å; R204-R207 CarbonylContact O-C 3.58Å; R204-R207 PolarHBondContact O-N 2.97Å; R204-S208 WeakPolarHBondContact O-CA 3.36Å; R204-S208 PolarHBondContact O-N 3.25Å; R204-I234 HydrophobicContact CB-CB 4.36Å; R204-I234 HydrophobicContact CB-CG2 3.89Å; R204-I234 HydrophobicContact CG-CB 4.46Å; R204-I234 HydrophobicContact CG-CG2 4.43Å; R204-D236 WeakPolarHBondContact CD-OD1 3.47Å; R204-D236 IonicContact CZ-OD1 2.74Å; R204-D236 VanDerWaalsContact CZ-OD1 3.28Å; R204-D236 IonicContact NE-OD1 2.72Å; R204-D236 PolarHBondContact NE-OD1 2.85Å; R204-D236 IonicContact NH1-OD1 3.57Å; R204-D236 IonicContact NH2-OD1 3.64Å; R204-A271 PolarHBondContact NH2-O 3.37Å; R204-D272 PolarHBondContact NH2-O 2.68Å; R204-D273 IonicContact CZ-OD2 2.91Å; R204-D273 VanDerWaalsContact NH1-CB 3.25Å; R204-D273 IonicContact NH1-OD2 3.95Å; R204-D273 PolarHBondContact NH1-OD2 2.77Å
205	E	93.2	Very high	92.5	Very high	70 Å²	70	57.1 Å²	57.1	33%	0.327	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-41.5	-178.5	-68	54.4	-112	0	0	110.1	D203 A271	D203-E205 PolarHBondContact OD1-N 2.95Å; E205-A271 HydrophobicContact CG-CB 4.01Å
206	V	91.4	Very high	92.5	Very high	119 Å²	119	55.5 Å²	55.5	72%	0.721	27%	0.273	S	S	*	.	H	α-helix	trans	-78.6	-42.3	170.4	175	0	0	0	0	111.2	D203 R204	D203-V206 HydrophobicContact CB-CB 4.43Å; D203-V206 WeakPolarHBondContact OD1-CB 3.41Å; D203-V206 VanDerWaalsContact OD1-CG2 3.29Å; D203-V206 WeakPolarHBondContact OD1-CG2 3.37Å; D203-V206 PolarHBondContact OD1-N 2.56Å; D203-V206 WeakPolarHBondContact OD2-CG2 3.4Å; R204-V206 VanDerWaalsContact C-N 3.34Å; R204-V206 PolarHBondContact O-N 3.25Å
207	R	91	Very high	92.4	Very high	126 Å²	126	56.9 Å²	56.9	48%	0.475	28%	0.283	S	S	.	.	H	α-helix	trans	-157.2	88.9	179.7	-166.7	170.5	173.6	164.1	4.5	116.3	D203 R204 S209 Y210 I234	D203-R207 CarbonylContact O-C 3.46Å; D203-R207 PolarHBondContact O-N 2.82Å; R204-R207 CarbonylContact O-C 3.58Å; R204-R207 PolarHBondContact O-N 2.97Å; R207-S209 VanDerWaalsContact C-N 3.26Å; R207-S209 WeakPolarHBondContact CG-O 3.21Å; R207-S209 PolarHBondContact NE-O 2.56Å; R207-S209 PolarHBondContact O-N 3.4Å; R207-S209 VanDerWaalsContact O-N 3.08Å; R207-Y210 HydrophobicContact CB-CE2 4.44Å; R207-Y210 HydrophobicContact CG-CE1 4.45Å; R207-Y210 HydrophobicContact CG-CE2 4.08Å; R207-I234 WeakPolarHBondContact O-CG1 3.43Å
208	S	91.4	Very high	92.2	Very high	62 Å²	62	56.9 Å²	56.9	43%	0.434	28%	0.283	S	S	.	.	S	Bend	trans	-60.5	-14.1	175.7	65.6	0	0	0	0	117.6	R204 I234	R204-S208 WeakPolarHBondContact O-CA 3.36Å; R204-S208 PolarHBondContact O-N 3.25Å; S208-I234 PolarHBondContact O-N 2.94Å
209	S	93.4	Very high	91.8	Very high	51 Å²	51	63.1 Å²	63.1	36%	0.357	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	153.1	178.6	58	0	0	0	0	116.7	R207 I232	R207-S209 VanDerWaalsContact C-N 3.26Å; R207-S209 WeakPolarHBondContact CG-O 3.21Å; R207-S209 PolarHBondContact NE-O 2.56Å; R207-S209 PolarHBondContact O-N 3.4Å; R207-S209 VanDerWaalsContact O-N 3.08Å; S209-I232 VanDerWaalsContact CA-O 3.29Å; S209-I232 WeakPolarHBondContact CA-O 3.09Å; S209-I232 WeakPolarHBondContact CB-O 3.26Å
210	Y	92.2	Very high	91.4	Very high	18 Å²	18	60.1 Å²	60.1	7%	0.071	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.3	176.8	-57.7	-107.6	0	0	0	109.9	N179 F180 R207 I232 I234	N179-Y210 HydrophobicContact CB-CE1 4.3Å; F180-Y210 AromaticContact CE2-CD1 4Å; F180-Y210 HydrophobicContact CE2-CD1 4Å; F180-Y210 AromaticContact CE2-CD2 3.88Å; F180-Y210 HydrophobicContact CE2-CD2 3.88Å; F180-Y210 HydrophobicContact CE2-CE1 4.23Å; F180-Y210 HydrophobicContact CE2-CE2 4.16Å; F180-Y210 AromaticContact CE2-CG 3.83Å; F180-Y210 HydrophobicContact CE2-CG 3.83Å; F180-Y210 HydrophobicContact CZ-CD2 4.29Å; F180-Y210 HydrophobicContact CZ-CE2 4.44Å; R207-Y210 HydrophobicContact CB-CE2 4.44Å; R207-Y210 HydrophobicContact CG-CE1 4.45Å; R207-Y210 HydrophobicContact CG-CE2 4.08Å; Y210-I232 PolarHBondContact N-O 2.71Å; Y210-I232 PolarHBondContact O-N 2.93Å; Y210-I234 HydrophobicContact CD2-CD1 4.1Å; Y210-I234 HydrophobicContact CD2-CG1 4.25Å; Y210-I234 HydrophobicContact CE2-CD1 3.94Å; Y210-I234 HydrophobicContact CE2-CG1 3.96Å
211	E	93.4	Very high	91	Very high	99 Å²	99	60.2 Å²	60.2	46%	0.463	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	170.6	-62.6	-168.3	157.9	0	0	106.9	L229 L230 K231	E211-L229 HydrophobicContact CB-CD1 4.25Å; E211-L229 HydrophobicContact CB-CD2 4.44Å; E211-L230 WeakPolarHBondContact CA-O 3.47Å; E211-K231 HydrophobicContact CG-CG 4.25Å; E211-K231 IonicContact OE1-NZ 3.68Å; E211-K231 PolarHBondContact OE1-NZ 2.83Å
212	L	93.3	Very high	90.8	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.2	-170.2	-62.8	174.8	0	0	0	111.1	L174 E175 N177 F180 Y214 L230 I232	L174-L212 HydrophobicContact CD1-CB 4.04Å; L174-L212 HydrophobicContact CD1-CD1 4.47Å; L174-L212 HydrophobicContact CD2-CD1 4.36Å; E175-L212 HydrophobicContact CB-CD2 4.48Å; E175-L212 WeakPolarHBondContact OE2-CA 3.4Å; N177-L212 HydrophobicContact CB-CD2 4.1Å; F180-L212 HydrophobicContact CD2-CD1 3.99Å; L212-Y214 PolarHBondContact O-N 3.15Å; L212-L230 PolarHBondContact N-O 3.12Å; L212-L230 PolarHBondContact O-N 3.07Å; L212-I232 HydrophobicContact CD1-CD1 3.93Å
213	Q	93.2	Very high	90.5	Very high	100 Å²	100	61.6 Å²	61.6	47%	0.467	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.4	175.8	-169.9	176.2	-2.4	0	0	111.4	E175 S227	E175-Q213 HydrophobicContact CB-CB 4.32Å; E175-Q213 PolarHBondContact N-O 3.46Å; E175-Q213 PolarHBondContact OE2-N 3.34Å; Q213-S227 PolarHBondContact NE2-OG 2.96Å
214	Y	93.8	Very high	90.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.2	174.1	171.1	-127.2	0	0	0	109.2	F135 I140 L156 Y172 I182 A194 L212 S227 T228 L230	F135-Y214 HydrophobicContact CD1-CE1 4.23Å; F135-Y214 AromaticContact CE1-CD1 3.76Å; F135-Y214 HydrophobicContact CE1-CD1 3.76Å; F135-Y214 AromaticContact CE1-CE1 3.26Å; F135-Y214 HydrophobicContact CE1-CE1 3.26Å; F135-Y214 AromaticContact CE1-CZ 3.96Å; F135-Y214 HydrophobicContact CE2-CD1 4.36Å; F135-Y214 AromaticContact CZ-CD1 3.61Å; F135-Y214 HydrophobicContact CZ-CD1 3.61Å; F135-Y214 AromaticContact CZ-CE1 3.48Å; F135-Y214 HydrophobicContact CZ-CE1 3.48Å; F135-Y214 VanDerWaalsContact CZ-CE1 3.48Å; F135-Y214 HydrophobicContact CZ-CG 4.27Å; I140-Y214 HydrophobicContact CD1-CD1 4.24Å; I140-Y214 HydrophobicContact CD1-CE1 4.33Å; L156-Y214 HydrophobicContact CB-CE1 4.19Å; L156-Y214 HydrophobicContact CD1-CD1 4.48Å; L156-Y214 HydrophobicContact CD1-CD2 4.19Å; L156-Y214 HydrophobicContact CD1-CE1 4.1Å; L156-Y214 HydrophobicContact CD1-CE2 3.78Å; Y172-Y214 HydrophobicContact CD1-CE1 4.49Å; Y172-Y214 AromaticContact CD1-CE2 3.75Å; Y172-Y214 HydrophobicContact CD1-CE2 3.75Å; Y172-Y214 AromaticContact CD1-CZ 3.59Å; Y172-Y214 VanDerWaalsContact CD1-OH 3.25Å; Y172-Y214 WeakPolarHBondContact CD1-OH 3.03Å; Y172-Y214 WeakPolarHBondContact CE1-OH 3.15Å; Y172-Y214 AromaticContact CG-CE2 3.97Å; Y172-Y214 HydrophobicContact CG-CE2 3.97Å; I182-Y214 HydrophobicContact CD1-CD2 4.46Å; I182-Y214 HydrophobicContact CD1-CE2 4.2Å; I182-Y214 HydrophobicContact CG2-CE2 4.44Å; A194-Y214 HydrophobicContact CB-CE2 4.04Å; A194-Y214 WeakPolarHBondContact CB-OH 3.1Å; L212-Y214 PolarHBondContact O-N 3.15Å; Y214-S227 CarbonylContact O-C 3.6Å; Y214-S227 VanDerWaalsContact O-CA 3.28Å; Y214-S227 WeakPolarHBondContact O-CA 3.45Å; Y214-T228 HydrophobicContact CD1-CG2 3.67Å; Y214-T228 HydrophobicContact CG-CG2 4.45Å; Y214-T228 PolarHBondContact N-O 3.42Å; Y214-T228 PolarHBondContact O-N 2.74Å; Y214-T228 VanDerWaalsContact O-O 3.11Å; Y214-L230 HydrophobicContact CD1-CD2 3.8Å; Y214-L230 HydrophobicContact CD1-CG 4.4Å; Y214-L230 HydrophobicContact CG-CD1 4.28Å; Y214-L230 HydrophobicContact CG-CD2 4.13Å; Y214-L230 HydrophobicContact CG-CG 4.23Å
215	T	92.3	Very high	90.3	Very high	28 Å²	28	64.7 Å²	64.7	17%	0.172	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.7	-167.7	-59.8	0	0	0	0	110.4	Y172 A173 T225 G226 S227	Y172-T215 CarbonylContact C-O 3.59Å; Y172-T215 VanDerWaalsContact CA-O 3.27Å; Y172-T215 WeakPolarHBondContact CA-O 3.16Å; A173-T215 PolarHBondContact N-O 3.38Å; A173-T215 PolarHBondContact O-N 3.48Å; T215-T225 HydrophobicContact CG2-CG2 4.39Å; T215-G226 CarbonylContact C-O 3.22Å; T215-G226 WeakPolarHBondContact CA-O 3.1Å; T215-S227 PolarHBondContact OG1-OG 2.9Å
216	A	91.9	Very high	90.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.7	169.7	0	0	0	0	0	109.7	P133 F135 A159 L169 Y172 T225 G226	P133-A216 HydrophobicContact CB-CB 3.54Å; P133-A216 HydrophobicContact CG-CB 4.42Å; F135-A216 HydrophobicContact CE2-CB 3.99Å; F135-A216 HydrophobicContact CZ-CB 3.74Å; A159-A216 HydrophobicContact CB-CB 3.46Å; A159-A216 VanDerWaalsContact CB-CB 3.46Å; L169-A216 HydrophobicContact CD1-CB 3.77Å; Y172-A216 HydrophobicContact CD1-CB 3.81Å; Y172-A216 HydrophobicContact CE1-CB 3.93Å; A216-T225 WeakPolarHBondContact O-CA 3.24Å; A216-T225 WeakPolarHBondContact O-CB 3.45Å; A216-G226 PolarHBondContact N-O 3.49Å; A216-G226 PolarHBondContact O-N 2.89Å
217	S	90.8	Very high	90.2	Very high	28 Å²	28	59.2 Å²	59.2	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.7	179.5	62.3	0	0	0	0	111.4	Y170 T171	Y170-S217 PolarHBondContact N-O 2.99Å; T171-S217 VanDerWaalsContact CG2-OG 3.26Å; T171-S217 WeakPolarHBondContact CG2-OG 3.3Å; T171-S217 PolarHBondContact N-O 3.41Å; T171-S217 PolarHBondContact O-N 2.97Å; T171-S217 PolarHBondContact O-OG 3.23Å
218	D	89.8	Confident	90.3	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.027	30%	0.302	C	S	.	.			trans	-76.4	-167.3	170	65.5	49.9	0	0	0	112.3	N129 P133 N167 Y170 G220 P223 R224	N129-D218 VanDerWaalsContact ND2-CG 3.27Å; N129-D218 PolarHBondContact ND2-OD1 2.79Å; N129-D218 PolarHBondContact ND2-OD2 3.17Å; N129-D218 PolarHBondContact OD1-OD2 3.06Å; P133-D218 HydrophobicContact CG-CB 4.21Å; N167-D218 VanDerWaalsContact O-CB 3.27Å; N167-D218 WeakPolarHBondContact O-CB 3.31Å; Y170-D218 WeakPolarHBondContact CB-O 3.29Å; D218-G220 PolarHBondContact OD1-N 3.46Å; D218-P223 WeakPolarHBondContact OD1-CA 3.4Å; D218-R224 VanDerWaalsContact CG-N 3.28Å; D218-R224 PolarHBondContact N-O 3.06Å; D218-R224 PolarHBondContact OD1-N 2.88Å; D218-R224 WeakPolarHBondContact OD2-CA 3.2Å; D218-R224 WeakPolarHBondContact OD2-CB 3.39Å; D218-R224 PolarHBondContact OD2-N 3.49Å; D218-R224 VanDerWaalsContact OD2-O 3.09Å
219	R	85.6	Confident	90.4	Very high	132 Å²	132	53.4 Å²	53.4	50%	0.498	30%	0.296	S	S	.	.			trans	-124.3	11.6	169.8	-116	177.2	-175	-170.8	179.5	113.7	E166 Y170	E166-R219 CarbonylContact O-C 3.54Å; E166-R219 WeakPolarHBondContact O-CA 3.48Å; E166-R219 WeakPolarHBondContact O-CB 3.19Å; E166-R219 PolarHBondContact O-N 2.78Å; Y170-R219 HydrophobicContact CD1-CG 3.7Å; Y170-R219 HydrophobicContact CD2-CG 4.11Å; Y170-R219 VanDerWaalsContact CD2-NE 3.29Å; Y170-R219 HydrophobicContact CE1-CG 4.38Å; Y170-R219 VanDerWaalsContact CE2-NE 3.26Å; Y170-R219 VanDerWaalsContact CE2-NH1 3.34Å; Y170-R219 HydrophobicContact CG-CB 4.22Å; Y170-R219 HydrophobicContact CG-CG 3.56Å; Y170-R219 VanDerWaalsContact CZ-NH1 3.3Å; Y170-R219 PolarHBondContact OH-NH1 3.49Å
220	G	83.1	Confident	90.4	Very high	4 Å²	4	51 Å²	51	4%	0.041	28%	0.279	C	S	.	.			trans	-70.7	178.5	-174.1	0	0	0	0	0	113.5	N167 D218 P222 P223	N167-G220 VanDerWaalsContact OD1-CA 3.24Å; N167-G220 WeakPolarHBondContact OD1-CA 3.44Å; D218-G220 PolarHBondContact OD1-N 3.46Å; G220-P222 CarbonylContact C-O 3.55Å; G220-P222 CarbonylContact O-C 3.58Å; G220-P222 VanDerWaalsContact O-C 3.24Å; G220-P223 VanDerWaalsContact O-CA 3.29Å; G220-P223 WeakPolarHBondContact O-CA 3.47Å
221	V	81.9	Confident	90.5	Very high	140 Å²	140	54.6 Å²	54.6	85%	0.848	30%	0.295	S	S	*	.	S	Bend	trans	-129.2	105.4	179.4	-176.4	0	0	0	0	109.6
222	P	85.8	Confident	90.5	Very high	94 Å²	94	49.9 Å²	49.9	61%	0.61	27%	0.273	S	S	*	.	S	Bend	cis	-69.8	152.7	-0.4	31.9	-36.5	0	0	0	112.5	N129 G220	N129-P222 PolarHBondContact ND2-O 3.1Å; G220-P222 CarbonylContact C-O 3.55Å; G220-P222 CarbonylContact O-C 3.58Å; G220-P222 VanDerWaalsContact O-C 3.24Å
223	P	87.1	Confident	90.5	Very high	98 Å²	98	51.8 Å²	51.8	64%	0.636	29%	0.288	S	S	*	.			trans	-75.2	141.9	175.4	31.2	-34.9	0	0	0	110.5	D218 G220	D218-P223 WeakPolarHBondContact OD1-CA 3.4Å; G220-P223 VanDerWaalsContact O-CA 3.29Å; G220-P223 WeakPolarHBondContact O-CA 3.47Å
224	R	89.9	Confident	90.6	Very high	87 Å²	87	47.6 Å²	47.6	33%	0.328	27%	0.268	S	S	.	.			trans	-127.9	161.1	-177	-49.2	162.4	69.3	167.8	-17.2	110.1	N129 D130 N131 T132 D218	N129-R224 WeakPolarHBondContact ND2-CD 3.47Å; N129-R224 WeakPolarHBondContact O-CD 3.21Å; N129-R224 PolarHBondContact O-NH1 2.73Å; D130-R224 PolarHBondContact O-NH1 2.8Å; D130-R224 PolarHBondContact O-NH2 3.46Å; N131-R224 WeakPolarHBondContact O-CD 3.47Å; N131-R224 PolarHBondContact O-NE 3.09Å; N131-R224 PolarHBondContact O-NH1 3.13Å; N131-R224 PolarHBondContact O-NH2 2.75Å; N131-R224 VanDerWaalsContact O-NH2 3.08Å; T132-R224 HydrophobicContact CG2-CB 3.82Å; D218-R224 VanDerWaalsContact CG-N 3.28Å; D218-R224 PolarHBondContact N-O 3.06Å; D218-R224 PolarHBondContact OD1-N 2.88Å; D218-R224 WeakPolarHBondContact OD2-CA 3.2Å; D218-R224 WeakPolarHBondContact OD2-CB 3.39Å; D218-R224 PolarHBondContact OD2-N 3.49Å; D218-R224 VanDerWaalsContact OD2-O 3.09Å
225	T	91.4	Very high	90.5	Very high	86 Å²	86	48.8 Å²	48.8	53%	0.528	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.1	-171.8	60.3	0	0	0	0	111.5	T215 A216	T215-T225 HydrophobicContact CG2-CG2 4.39Å; A216-T225 WeakPolarHBondContact O-CA 3.24Å; A216-T225 WeakPolarHBondContact O-CB 3.45Å
226	G	91.4	Very high	90.5	Very high	15 Å²	15	49.4 Å²	49.4	16%	0.155	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.9	165.1	0	0	0	0	0	110.2	P133 F135 T215 A216	P133-G226 VanDerWaalsContact O-CA 3.31Å; P133-G226 WeakPolarHBondContact O-CA 3.28Å; P133-G226 PolarHBondContact O-N 2.77Å; F135-G226 WeakPolarHBondContact CE2-O 3.4Å; T215-G226 CarbonylContact C-O 3.22Å; T215-G226 WeakPolarHBondContact CA-O 3.1Å; A216-G226 PolarHBondContact N-O 3.49Å; A216-G226 PolarHBondContact O-N 2.89Å
227	S	92.3	Very high	90.5	Very high	58 Å²	58	50.1 Å²	50.1	41%	0.406	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153.6	179.1	-58.8	0	0	0	0	111.7	Q213 Y214 T215	Q213-S227 PolarHBondContact NE2-OG 2.96Å; Y214-S227 CarbonylContact O-C 3.6Å; Y214-S227 VanDerWaalsContact O-CA 3.28Å; Y214-S227 WeakPolarHBondContact O-CA 3.45Å; T215-S227 PolarHBondContact OG1-OG 2.9Å
228	T	92.8	Very high	90.6	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159	170.1	-171.4	0	0	0	0	108.9	F135 K137 A138 I140 Y214	F135-T228 HydrophobicContact CB-CG2 4.12Å; F135-T228 HydrophobicContact CD1-CG2 3.99Å; F135-T228 HydrophobicContact CD2-CG2 3.47Å; F135-T228 VanDerWaalsContact CD2-CG2 3.47Å; F135-T228 HydrophobicContact CE1-CG2 4.24Å; F135-T228 HydrophobicContact CE2-CG2 3.73Å; F135-T228 HydrophobicContact CG-CG2 3.59Å; F135-T228 HydrophobicContact CZ-CG2 4.11Å; K137-T228 PolarHBondContact O-OG1 2.72Å; A138-T228 PolarHBondContact O-OG1 2.73Å; A138-T228 VanDerWaalsContact O-OG1 3.08Å; I140-T228 HydrophobicContact CD1-CG2 3.65Å; I140-T228 HydrophobicContact CG1-CG2 4.14Å; Y214-T228 HydrophobicContact CD1-CG2 3.67Å; Y214-T228 HydrophobicContact CG-CG2 4.45Å; Y214-T228 PolarHBondContact N-O 3.42Å; Y214-T228 PolarHBondContact O-N 2.74Å; Y214-T228 VanDerWaalsContact O-O 3.11Å
229	L	93.1	Very high	90.6	Very high	59 Å²	59	55 Å²	55	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.6	177.7	-170	69.9	0	0	0	110	A138 V139 I140 E211	A138-L229 PolarHBondContact O-N 2.76Å; V139-L229 CarbonylContact C-O 3.56Å; V139-L229 WeakPolarHBondContact CA-O 3.41Å; V139-L229 HydrophobicContact CG1-CB 4.5Å; V139-L229 HydrophobicContact CG2-CB 4.35Å; I140-L229 PolarHBondContact N-O 3.44Å; E211-L229 HydrophobicContact CB-CD1 4.25Å; E211-L229 HydrophobicContact CB-CD2 4.44Å
230	L	93.5	Very high	90.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.1	162.5	-55	-173.2	0	0	0	107.8	I140 L156 L174 L196 E211 L212 Y214 I232	I140-L230 HydrophobicContact CB-CD2 3.81Å; I140-L230 HydrophobicContact CD1-CD2 3.91Å; I140-L230 HydrophobicContact CG1-CD2 4.33Å; I140-L230 HydrophobicContact CG2-CD2 4.28Å; L156-L230 HydrophobicContact CD1-CD1 4Å; L156-L230 HydrophobicContact CD2-CD1 4.16Å; L156-L230 HydrophobicContact CD2-CD2 4.25Å; L174-L230 HydrophobicContact CD1-CD1 3.73Å; L196-L230 HydrophobicContact CD1-CD1 4.26Å; E211-L230 WeakPolarHBondContact CA-O 3.47Å; L212-L230 PolarHBondContact N-O 3.12Å; L212-L230 PolarHBondContact O-N 3.07Å; Y214-L230 HydrophobicContact CD1-CD2 3.8Å; Y214-L230 HydrophobicContact CD1-CG 4.4Å; Y214-L230 HydrophobicContact CG-CD1 4.28Å; Y214-L230 HydrophobicContact CG-CD2 4.13Å; Y214-L230 HydrophobicContact CG-CG 4.23Å; L230-I232 HydrophobicContact CB-CG1 4.42Å
231	K	93.6	Very high	91.2	Very high	94 Å²	94	53.4 Å²	53.4	41%	0.409	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	101.2	168.5	-173.4	-179.9	-178.8	88	0	107.5	V139 I140 P141 I142 E211	V139-K231 HydrophobicContact CG1-CB 3.89Å; I140-K231 PolarHBondContact O-N 3.41Å; P141-K231 WeakPolarHBondContact CA-O 3.27Å; I142-K231 PolarHBondContact N-O 3.25Å; E211-K231 HydrophobicContact CG-CG 4.25Å; E211-K231 IonicContact OE1-NZ 3.68Å; E211-K231 PolarHBondContact OE1-NZ 2.83Å
232	I	93.9	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.3	179.9	-55	169.8	0	0	0	107.9	I142 I144 F180 L196 S209 Y210 L212 L230 I234	I142-I232 HydrophobicContact CB-CG1 4.28Å; I142-I232 CarbonylContact O-C 3.24Å; I142-I232 VanDerWaalsContact O-CA 3.3Å; I142-I232 WeakPolarHBondContact O-CA 3.28Å; I144-I232 HydrophobicContact CD1-CG2 3.61Å; I144-I232 HydrophobicContact CG1-CG2 3.99Å; F180-I232 HydrophobicContact CD2-CD1 3.98Å; F180-I232 HydrophobicContact CE1-CD1 4.4Å; F180-I232 HydrophobicContact CE2-CD1 3.87Å; F180-I232 HydrophobicContact CG-CD1 4.3Å; F180-I232 HydrophobicContact CZ-CD1 4.09Å; F180-I232 HydrophobicContact CZ-CG2 4.17Å; L196-I232 HydrophobicContact CD2-CD1 3.85Å; L196-I232 HydrophobicContact CD2-CG1 4.49Å; S209-I232 VanDerWaalsContact CA-O 3.29Å; S209-I232 WeakPolarHBondContact CA-O 3.09Å; S209-I232 WeakPolarHBondContact CB-O 3.26Å; Y210-I232 PolarHBondContact N-O 2.71Å; Y210-I232 PolarHBondContact O-N 2.93Å; L212-I232 HydrophobicContact CD1-CD1 3.93Å; L230-I232 HydrophobicContact CB-CG1 4.42Å; I232-I234 HydrophobicContact CG2-CD1 4.11Å
233	S	93.8	Very high	92.2	Very high	52 Å²	52	46.8 Å²	46.8	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.4	163.9	47.1	0	0	0	0	109.3	I142 E143 I144	I142-S233 PolarHBondContact O-N 3.33Å; I142-S233 PolarHBondContact O-OG 2.88Å; E143-S233 WeakPolarHBondContact CA-O 3.45Å; I144-S233 PolarHBondContact N-O 3Å; I144-S233 VanDerWaalsContact N-O 3.1Å
234	I	94.4	Very high	92.5	Very high	12 Å²	12	43 Å²	43	6%	0.062	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.2	169.1	-52.7	-54	0	0	0	107.5	I144 E146 F180 L202 R204 R207 S208 Y210 I232	I144-I234 CarbonylContact O-C 3.35Å; I144-I234 VanDerWaalsContact O-CA 3.3Å; I144-I234 WeakPolarHBondContact O-CA 3.16Å; E146-I234 HydrophobicContact CB-CG2 3.69Å; F180-I234 HydrophobicContact CZ-CD1 4.41Å; L202-I234 HydrophobicContact CD1-CD1 4.11Å; R204-I234 HydrophobicContact CB-CB 4.36Å; R204-I234 HydrophobicContact CB-CG2 3.89Å; R204-I234 HydrophobicContact CG-CB 4.46Å; R204-I234 HydrophobicContact CG-CG2 4.43Å; R207-I234 WeakPolarHBondContact O-CG1 3.43Å; S208-I234 PolarHBondContact O-N 2.94Å; Y210-I234 HydrophobicContact CD2-CD1 4.1Å; Y210-I234 HydrophobicContact CD2-CG1 4.25Å; Y210-I234 HydrophobicContact CE2-CD1 3.94Å; Y210-I234 HydrophobicContact CE2-CG1 3.96Å; I232-I234 HydrophobicContact CG2-CD1 4.11Å
235	A	92.1	Very high	92.5	Very high	24 Å²	24	45.4 Å²	45.4	20%	0.198	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.2	179.5	0	0	0	0	0	110.3	E143 I144 S145 E146 S237	E143-A235 HydrophobicContact CG-CB 3.91Å; I144-A235 PolarHBondContact O-N 3.37Å; S145-A235 VanDerWaalsContact CA-O 3.27Å; S145-A235 WeakPolarHBondContact CA-O 3.08Å; E146-A235 PolarHBondContact N-O 3.48Å; E146-A235 VanDerWaalsContact OE1-O 3.1Å; A235-S237 PolarHBondContact O-OG 2.87Å
236	D	92.7	Very high	92.5	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.219	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-61.9	140.4	-173.6	-167.5	79.8	0	0	0	113.4	E146 R204 D273 N276	E146-D236 VanDerWaalsContact OE1-C 3.31Å; E146-D236 VanDerWaalsContact OE1-CA 3.3Å; E146-D236 WeakPolarHBondContact OE1-CA 3.5Å; R204-D236 WeakPolarHBondContact CD-OD1 3.47Å; R204-D236 IonicContact CZ-OD1 2.74Å; R204-D236 VanDerWaalsContact CZ-OD1 3.28Å; R204-D236 IonicContact NE-OD1 2.72Å; R204-D236 PolarHBondContact NE-OD1 2.85Å; R204-D236 IonicContact NH1-OD1 3.57Å; R204-D236 IonicContact NH2-OD1 3.64Å; D236-D273 HydrophobicContact CB-CB 3.89Å; D236-D273 VanDerWaalsContact CG-CB 3.46Å; D236-D273 WeakPolarHBondContact OD1-CB 3.31Å; D236-D273 PolarHBondContact OD1-N 2.97Å; D236-D273 PolarHBondContact OD2-N 3.2Å; D236-D273 VanDerWaalsContact OD2-N 3.16Å; D236-N276 WeakPolarHBondContact OD2-CB 3.45Å; D236-N276 PolarHBondContact OD2-ND2 3.45Å
237	S	91.7	Very high	92.4	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.112	28%	0.279	C	S	.	.			trans	-135	135.5	-177.6	-40.2	0	0	0	0	107.5	S145 E146 A235 D239	S145-S237 PolarHBondContact OG-OG 3.25Å; E146-S237 VanDerWaalsContact OE1-CB 3.26Å; E146-S237 WeakPolarHBondContact OE1-CB 3.35Å; E146-S237 PolarHBondContact OE1-N 3.33Å; E146-S237 PolarHBondContact OE1-OG 2.91Å; A235-S237 PolarHBondContact O-OG 2.87Å; S237-D239 PolarHBondContact O-N 2.83Å
238	N	92.1	Very high	92.5	Very high	28 Å²	28	50.1 Å²	50.1	15%	0.15	28%	0.282	C	S	.	.	S	Bend	trans	-77.3	70.5	-175.1	-159.2	117.4	0	0	0	112	D272 N276 D326 G328	N238-D272 VanDerWaalsContact CA-OD2 3.31Å; N238-D272 WeakPolarHBondContact CA-OD2 3.47Å; N238-N276 HydrophobicContact CB-CB 4.15Å; N238-N276 WeakPolarHBondContact OD1-CA 3.29Å; N238-N276 WeakPolarHBondContact OD1-CB 3.44Å; N238-D326 PolarHBondContact OD1-OD1 3.47Å; N238-G328 WeakPolarHBondContact OD1-CA 3.45Å
239	D	89.8	Confident	92.5	Very high	108 Å²	108	51.2 Å²	51.2	58%	0.578	29%	0.286	S	S	*	.			trans	-108.8	-14.2	-176.8	88.7	-16.6	0	0	0	114.6	S237	S237-D239 PolarHBondContact O-N 2.83Å
240	N	90.9	Very high	92.7	Very high	56 Å²	56	52.9 Å²	52.9	30%	0.299	30%	0.298	S	S	.	.	S	Bend	trans	-80.6	-178.2	158.1	-60.5	-83.9	0	0	0	110.6	A271 D272	N240-A271 HydrophobicContact CB-CB 4.23Å; N240-D272 VanDerWaalsContact CB-OD1 3.24Å; N240-D272 WeakPolarHBondContact CB-OD1 3.48Å; N240-D272 PolarHBondContact N-OD1 2.92Å; N240-D272 PolarHBondContact ND2-OD1 3.46Å
241	S	91.6	Very high	92.7	Very high	46 Å²	46	54 Å²	54	32%	0.322	30%	0.304	S	S	.	.			trans	-157.1	155.9	175.8	-57.6	0	0	0	0	109.2	V243 D270	S241-V243 WeakPolarHBondContact O-CG2 3.42Å; S241-V243 PolarHBondContact O-N 2.83Å; S241-D270 WeakPolarHBondContact CA-OD2 3.38Å
242	P	94.6	Very high	92.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.013	31%	0.314	C	S	.	.			trans	-63.4	133.1	-169.1	-26.4	35.3	0	0	0	113	A268 D270 I279 A324 D326 A334	P242-A268 HydrophobicContact CB-CB 4.38Å; P242-D270 WeakPolarHBondContact CA-OD2 3.39Å; P242-D270 WeakPolarHBondContact CD-OD2 3.37Å; P242-D270 WeakPolarHBondContact CG-OD2 3.38Å; P242-I279 HydrophobicContact CB-CD1 3.96Å; P242-I279 HydrophobicContact CB-CG1 3.97Å; P242-I279 HydrophobicContact CG-CD1 4.45Å; P242-I279 HydrophobicContact CG-CG1 3.94Å; P242-A324 HydrophobicContact CB-CB 3.95Å; P242-D326 HydrophobicContact CG-CB 4.29Å; P242-A334 WeakPolarHBondContact O-CB 3.48Å
243	V	92.9	Very high	92.9	Very high	92 Å²	92	54 Å²	54	56%	0.558	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.8	178.5	-175.3	0	0	0	0	110.9	S241 A268 T269	S241-V243 WeakPolarHBondContact O-CG2 3.42Å; S241-V243 PolarHBondContact O-N 2.83Å; V243-A268 CarbonylContact O-C 3.53Å; V243-A268 VanDerWaalsContact O-CA 3.23Å; V243-A268 WeakPolarHBondContact O-CA 3.37Å; V243-T269 PolarHBondContact N-O 3.41Å; V243-T269 PolarHBondContact O-N 3.31Å; V243-T269 PolarHBondContact O-OG1 2.99Å
244	F	93.5	Very high	93	Very high	19 Å²	19	54.1 Å²	54.1	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143	170.7	-69.9	-82.9	0	0	0	111.6	K246 A268 Y281 V322 A324 A334 C336	F244-K246 WeakPolarHBondContact CB-O 3.42Å; F244-K246 PolarHBondContact O-N 3.31Å; F244-K246 VanDerWaalsContact O-N 3.12Å; F244-A268 HydrophobicContact CD1-CB 3.86Å; F244-A268 HydrophobicContact CE1-CB 4.12Å; F244-A268 HydrophobicContact CG-CB 4.12Å; F244-Y281 HydrophobicContact CE1-CD1 4.27Å; F244-Y281 HydrophobicContact CE1-CE1 4.03Å; F244-V322 HydrophobicContact CZ-CG1 4.21Å; F244-A324 HydrophobicContact CE1-CB 4.06Å; F244-A324 HydrophobicContact CE2-CB 3.65Å; F244-A324 HydrophobicContact CZ-CB 3.38Å; F244-A334 HydrophobicContact CD2-CB 4.4Å; F244-A334 HydrophobicContact CE2-CB 4.37Å; F244-C336 HydrophobicContact CB-CB 4.38Å; F244-C336 HydrophobicContact CD1-CB 3.98Å; F244-C336 HydrophobicContact CD2-CB 3.65Å; F244-C336 HydrophobicContact CE1-CB 4.07Å; F244-C336 HydrophobicContact CE2-CB 3.75Å; F244-C336 HydrophobicContact CG-CB 3.76Å; F244-C336 HydrophobicContact CZ-CB 3.95Å
245	E	90.5	Very high	93	Very high	138 Å²	138	54 Å²	54	65%	0.645	31%	0.314	S	S	*	.	S	Bend	trans	-56.3	-30.5	176.2	-163.1	-143.7	138.1	0	0	113.1	N267	E245-N267 PolarHBondContact N-O 3.16Å
246	K	90.5	Very high	93.1	Very high	91 Å²	91	57.8 Å²	57.8	40%	0.396	33%	0.331	S	S	.	.			trans	-140.3	142.9	177.5	-52.1	-175.3	-172.1	69.9	0	110.1	F244 S248 Y249 C336	F244-K246 WeakPolarHBondContact CB-O 3.42Å; F244-K246 PolarHBondContact O-N 3.31Å; F244-K246 VanDerWaalsContact O-N 3.12Å; K246-S248 VanDerWaalsContact C-N 3.28Å; K246-S248 PolarHBondContact O-N 3.42Å; K246-Y249 HydrophobicContact CB-CE1 4.12Å; K246-Y249 HydrophobicContact CB-CE2 4.14Å; K246-Y249 HydrophobicContact CD-CD1 4.29Å; K246-Y249 HydrophobicContact CD-CE1 3.71Å; K246-Y249 HydrophobicContact CG-CE1 4.1Å; K246-C336 PolarHBondContact O-SG 3.39Å
247	S	89.8	Confident	93.1	Very high	100 Å²	100	56.5 Å²	56.5	70%	0.699	33%	0.325	S	S	*	.	S	Bend	trans	-72.2	-20.4	175.4	52.4	0	0	0	0	113.5	K337	S247-K337 PolarHBondContact O-N 2.78Å
248	S	94	Very high	93.3	Very high	66 Å²	66	60.2 Å²	60.2	46%	0.462	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158	170.7	64.7	0	0	0	0	114.3	K246 K337	K246-S248 VanDerWaalsContact C-N 3.28Å; K246-S248 PolarHBondContact O-N 3.42Å; S248-K337 CarbonylContact C-O 3.59Å; S248-K337 WeakPolarHBondContact CA-O 3.49Å; S248-K337 VanDerWaalsContact CB-O 3.27Å; S248-K337 WeakPolarHBondContact CB-O 3.34Å
249	Y	94.4	Very high	93.4	Very high	32 Å²	32	62.9 Å²	62.9	13%	0.125	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149	174.5	-64	-86	0	0	0	110.3	K246 I264 L266 C336 K337 I338 L339	K246-Y249 HydrophobicContact CB-CE1 4.12Å; K246-Y249 HydrophobicContact CB-CE2 4.14Å; K246-Y249 HydrophobicContact CD-CD1 4.29Å; K246-Y249 HydrophobicContact CD-CE1 3.71Å; K246-Y249 HydrophobicContact CG-CE1 4.1Å; Y249-I264 HydrophobicContact CD1-CD1 3.44Å; Y249-I264 VanDerWaalsContact CD1-CD1 3.44Å; Y249-I264 HydrophobicContact CD2-CD1 3.99Å; Y249-I264 HydrophobicContact CE1-CD1 3.8Å; Y249-I264 HydrophobicContact CE2-CD1 4.32Å; Y249-I264 HydrophobicContact CG-CD1 3.55Å; Y249-L266 HydrophobicContact CD2-CD2 4.16Å; Y249-L266 HydrophobicContact CE2-CD2 3.99Å; Y249-C336 VanDerWaalsContact CD2-SG 3.53Å; Y249-C336 VanDerWaalsContact CE2-SG 3.55Å; Y249-K337 PolarHBondContact N-O 2.91Å; Y249-I338 HydrophobicContact CD2-CG1 4.36Å; Y249-L339 PolarHBondContact O-N 2.96Å
250	V	95.8	Very high	93.5	Very high	93 Å²	93	60.4 Å²	60.4	56%	0.564	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	170.9	-174.8	0	0	0	0	107.9	L339 K341	V250-L339 WeakPolarHBondContact CA-O 3.47Å; V250-L339 HydrophobicContact CG1-CD2 4.48Å; V250-L339 HydrophobicContact CG2-CB 4.41Å; V250-K341 HydrophobicContact CG1-CD 4.03Å; V250-K341 HydrophobicContact CG1-CG 4.25Å
251	I	95	Very high	93.7	Very high	24 Å²	24	59.5 Å²	59.5	12%	0.123	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	-174	-54.8	176.5	0	0	0	108.2	L263 I264 I338 L339 V340 K341	I251-L263 HydrophobicContact CD1-CB 4.11Å; I251-L263 HydrophobicContact CG2-CB 4.47Å; I251-L263 HydrophobicContact CG2-CG 4.49Å; I251-I264 HydrophobicContact CD1-CB 3.7Å; I251-I264 HydrophobicContact CD1-CD1 4.35Å; I251-I264 HydrophobicContact CD1-CG2 3.58Å; I251-I338 HydrophobicContact CD1-CG2 3.57Å; I251-I338 HydrophobicContact CG1-CG2 4.21Å; I251-L339 PolarHBondContact N-O 3.29Å; I251-V340 WeakPolarHBondContact O-CA 3.41Å; I251-K341 PolarHBondContact O-N 2.61Å
252	S	95.7	Very high	93.9	Very high	88 Å²	88	61.6 Å²	61.6	62%	0.615	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	171.4	-65.6	0	0	0	0	109.7	K341	S252-K341 WeakPolarHBondContact CA-O 3.3Å
253	L	95.8	Very high	93.9	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.2	-177.2	179.2	69.4	0	0	0	109.9	E255 S257 T261 L263 F295 L306 V310 V340 K341 V342 V343	L253-E255 PolarHBondContact O-N 2.99Å; L253-S257 WeakPolarHBondContact CD1-OG 3.32Å; L253-T261 HydrophobicContact CD1-CG2 4.47Å; L253-L263 HydrophobicContact CD1-CD1 4.21Å; L253-L263 HydrophobicContact CD1-CG 4.38Å; L253-L263 HydrophobicContact CD2-CD2 4.36Å; L253-F295 HydrophobicContact CD2-CE1 4.15Å; L253-L306 HydrophobicContact CD2-CD1 4.21Å; L253-L306 HydrophobicContact CD2-CD2 4.49Å; L253-V310 HydrophobicContact CD2-CG1 4.41Å; L253-V310 HydrophobicContact CD2-CG2 3.74Å; L253-V310 HydrophobicContact CG-CG2 4.32Å; L253-V340 HydrophobicContact CB-CG1 3.79Å; L253-V340 HydrophobicContact CD2-CG1 3.93Å; L253-K341 PolarHBondContact N-O 2.85Å; L253-V342 CarbonylContact O-C 3.5Å; L253-V342 VanDerWaalsContact O-CA 3.3Å; L253-V342 WeakPolarHBondContact O-CA 3.46Å; L253-V343 PolarHBondContact O-N 3.43Å
254	P	95.1	Very high	93.9	Very high	55 Å²	55	59.5 Å²	59.5	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	134.2	169.6	-22.1	33.6	0	0	0	110.2	N256 S257 V343 V345	P254-N256 VanDerWaalsContact C-N 3.32Å; P254-N256 PolarHBondContact O-N 2.88Å; P254-S257 WeakPolarHBondContact O-CB 3.47Å; P254-S257 PolarHBondContact O-N 3.47Å; P254-S257 PolarHBondContact O-OG 2.76Å; P254-V343 WeakPolarHBondContact CA-O 3.35Å; P254-V345 HydrophobicContact CB-CG2 4.12Å
255	E	94.9	Very high	93.8	Very high	9 Å²	9	63.3 Å²	63.3	4%	0.042	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35	-171.4	68.2	-155.7	107.2	0	0	114.3	L253 S257 V310 Y312 V342 V343 D344 V345	L253-E255 PolarHBondContact O-N 2.99Å; E255-S257 PolarHBondContact O-N 2.89Å; E255-V310 HydrophobicContact CB-CG2 4.36Å; E255-Y312 WeakPolarHBondContact OE2-CB 3.27Å; E255-Y312 PolarHBondContact OE2-N 2.89Å; E255-V342 HydrophobicContact CB-CG1 3.66Å; E255-V343 PolarHBondContact N-O 3.31Å; E255-D344 WeakPolarHBondContact OE1-CA 3.3Å; E255-V345 PolarHBondContact OE1-N 2.91Å
256	N	93	Very high	93.9	Very high	104 Å²	104	56.9 Å²	56.9	56%	0.556	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	3.5	175.1	71.9	3	0	0	0	114.1	P254	P254-N256 VanDerWaalsContact C-N 3.32Å; P254-N256 PolarHBondContact O-N 2.88Å
257	S	94.7	Very high	93.9	Very high	14 Å²	14	57.1 Å²	57.1	10%	0.098	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-54.3	131.7	176.5	-69.8	0	0	0	0	111.8	L253 P254 E255	L253-S257 WeakPolarHBondContact CD1-OG 3.32Å; P254-S257 WeakPolarHBondContact O-CB 3.47Å; P254-S257 PolarHBondContact O-N 3.47Å; P254-S257 PolarHBondContact O-OG 2.76Å; E255-S257 PolarHBondContact O-N 2.89Å
258	P	94.5	Very high	94	Very high	93 Å²	93	52.6 Å²	52.6	60%	0.604	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-67.8	145.7	-177.5	26.7	-33.5	0	0	0	111.9	G260 T261	P258-G260 PolarHBondContact O-N 3.49Å; P258-T261 WeakPolarHBondContact CD-OG1 3.39Å; P258-T261 WeakPolarHBondContact O-CB 3.31Å; P258-T261 PolarHBondContact O-N 3.16Å; P258-T261 PolarHBondContact O-OG1 3.16Å
259	V	94.4	Very high	94	Very high	84 Å²	84	53.6 Å²	53.6	51%	0.509	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	130.8	168.5	172.9	0	0	0	0	109.1	I307 R309	V259-I307 WeakPolarHBondContact CG1-O 3.42Å; V259-R309 HydrophobicContact CG2-CG 4.28Å
260	G	92.9	Very high	93.9	Very high	57 Å²	57	53.5 Å²	53.5	59%	0.588	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	-6.7	-169.5	0	0	0	0	0	114.6	P258 L262 L306	P258-G260 PolarHBondContact O-N 3.49Å; G260-L262 PolarHBondContact O-N 2.72Å; G260-L306 PolarHBondContact N-O 2.98Å
261	T	94.6	Very high	93.8	Very high	37 Å²	37	51.3 Å²	51.3	23%	0.227	32%	0.317	C	S	.	.			trans	-59.1	129.2	175.5	-63.1	0	0	0	0	111.3	L253 P258 T305 L306	L253-T261 HydrophobicContact CD1-CG2 4.47Å; P258-T261 WeakPolarHBondContact CD-OG1 3.39Å; P258-T261 WeakPolarHBondContact O-CB 3.31Å; P258-T261 PolarHBondContact O-N 3.16Å; P258-T261 PolarHBondContact O-OG1 3.16Å; T261-T305 CarbonylContact O-C 3.53Å; T261-T305 WeakPolarHBondContact O-CA 3.41Å; T261-L306 PolarHBondContact O-N 2.9Å
262	L	94.7	Very high	93.7	Very high	89 Å²	89	50.6 Å²	50.6	47%	0.466	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.5	170.3	-179.9	69	0	0	0	108.9	G260 H303 T305	G260-L262 PolarHBondContact O-N 2.72Å; L262-H303 HydrophobicContact CD1-CB 3.65Å; L262-T305 HydrophobicContact CD1-CG2 3.99Å
263	L	94.6	Very high	93.4	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-46.1	178.3	-86.6	70.8	0	0	0	111.6	I251 L253 F295 L304 L306 V340	I251-L263 HydrophobicContact CD1-CB 4.11Å; I251-L263 HydrophobicContact CG2-CB 4.47Å; I251-L263 HydrophobicContact CG2-CG 4.49Å; L253-L263 HydrophobicContact CD1-CD1 4.21Å; L253-L263 HydrophobicContact CD1-CG 4.38Å; L253-L263 HydrophobicContact CD2-CD2 4.36Å; L263-F295 HydrophobicContact CD1-CD1 4.48Å; L263-F295 HydrophobicContact CD1-CE1 4.44Å; L263-F295 HydrophobicContact CD2-CD1 3.94Å; L263-F295 HydrophobicContact CD2-CE1 3.64Å; L263-L304 HydrophobicContact CB-CD2 4.47Å; L263-L304 HydrophobicContact CB-CG 4.5Å; L263-L304 HydrophobicContact CD2-CD2 4.33Å; L263-L304 PolarHBondContact N-O 2.78Å; L263-L306 HydrophobicContact CD1-CB 3.98Å; L263-V340 HydrophobicContact CD2-CG1 4.01Å; L263-V340 HydrophobicContact CD2-CG2 3.66Å
264	I	93.7	Very high	93.1	Very high	26 Å²	26	53 Å²	53	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	146.4	-177.4	-176.3	161.4	0	0	0	110.3	Y249 I251 L266 L304 I338	Y249-I264 HydrophobicContact CD1-CD1 3.44Å; Y249-I264 VanDerWaalsContact CD1-CD1 3.44Å; Y249-I264 HydrophobicContact CD2-CD1 3.99Å; Y249-I264 HydrophobicContact CE1-CD1 3.8Å; Y249-I264 HydrophobicContact CE2-CD1 4.32Å; Y249-I264 HydrophobicContact CG-CD1 3.55Å; I251-I264 HydrophobicContact CD1-CB 3.7Å; I251-I264 HydrophobicContact CD1-CD1 4.35Å; I251-I264 HydrophobicContact CD1-CG2 3.58Å; I264-L266 HydrophobicContact CD1-CD2 3.77Å; I264-L266 HydrophobicContact CG1-CD2 3.89Å; I264-L266 HydrophobicContact CG1-CG 4.38Å; I264-L266 HydrophobicContact CG2-CD1 4.48Å; I264-L266 HydrophobicContact CG2-CD2 3.92Å; I264-L266 HydrophobicContact CG2-CG 4.01Å; I264-L304 HydrophobicContact CG2-CB 3.79Å; I264-L304 HydrophobicContact CG2-CD2 4.05Å; I264-L304 PolarHBondContact O-N 3.07Å; I264-I338 HydrophobicContact CG2-CD1 4.26Å
265	D	92.3	Very high	92.9	Very high	100 Å²	100	54.6 Å²	54.6	54%	0.535	34%	0.342	S	S	.	.			trans	-94.8	117.8	164.9	-175.6	10.5	0	0	0	107.9	H303	D265-H303 IonicContact OD1-CD2 2.72Å; D265-H303 PolarHBondContact OD1-CD2 2.89Å; D265-H303 IonicContact OD1-NE2 3.93Å
266	L	91.8	Very high	92.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	34%	0.343	C	S	.	.			trans	-101.2	112.7	-173.1	-65.6	170.3	0	0	0	110.3	Y249 I264 Y281 I297 G302 V322 I338	Y249-L266 HydrophobicContact CD2-CD2 4.16Å; Y249-L266 HydrophobicContact CE2-CD2 3.99Å; I264-L266 HydrophobicContact CD1-CD2 3.77Å; I264-L266 HydrophobicContact CG1-CD2 3.89Å; I264-L266 HydrophobicContact CG1-CG 4.38Å; I264-L266 HydrophobicContact CG2-CD1 4.48Å; I264-L266 HydrophobicContact CG2-CD2 3.92Å; I264-L266 HydrophobicContact CG2-CG 4.01Å; L266-Y281 PolarHBondContact O-OH 3.38Å; L266-I297 HydrophobicContact CD1-CD1 3.84Å; L266-G302 WeakPolarHBondContact CB-O 3.43Å; L266-G302 WeakPolarHBondContact CD1-O 2.98Å; L266-V322 HydrophobicContact CD1-CB 4.46Å; L266-V322 HydrophobicContact CD1-CG1 3.97Å; L266-V322 HydrophobicContact CD1-CG2 4.19Å; L266-I338 HydrophobicContact CD1-CD1 3.56Å; L266-I338 HydrophobicContact CD2-CD1 3.74Å; L266-I338 HydrophobicContact CG-CD1 4.23Å
267	N	90	Very high	92.5	Very high	96 Å²	96	51.6 Å²	51.6	51%	0.513	33%	0.331	S	S	.	.			trans	-104.2	118.9	175.3	-165.8	22.4	0	0	0	110.7	E245	E245-N267 PolarHBondContact N-O 3.16Å
268	A	92.5	Very high	92.4	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150	160.2	0	0	0	0	0	108.9	P242 V243 F244 I279 Y281 A324	P242-A268 HydrophobicContact CB-CB 4.38Å; V243-A268 CarbonylContact O-C 3.53Å; V243-A268 VanDerWaalsContact O-CA 3.23Å; V243-A268 WeakPolarHBondContact O-CA 3.37Å; F244-A268 HydrophobicContact CD1-CB 3.86Å; F244-A268 HydrophobicContact CE1-CB 4.12Å; F244-A268 HydrophobicContact CG-CB 4.12Å; A268-I279 VanDerWaalsContact C-CD1 3.45Å; A268-I279 HydrophobicContact CB-CD1 4Å; A268-I279 WeakPolarHBondContact O-CD1 3.45Å; A268-Y281 HydrophobicContact CB-CE1 3.95Å; A268-Y281 PolarHBondContact N-OH 3.24Å; A268-Y281 PolarHBondContact O-OH 3.49Å; A268-A324 HydrophobicContact CB-CB 3.88Å
269	T	92.7	Very high	92.4	Very high	87 Å²	87	51.5 Å²	51.5	53%	0.534	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.9	179.9	53.7	0	0	0	0	110.3	V243	V243-T269 PolarHBondContact N-O 3.41Å; V243-T269 PolarHBondContact O-N 3.31Å; V243-T269 PolarHBondContact O-OG1 2.99Å
270	D	94.1	Very high	92.4	Very high	30 Å²	30	48.6 Å²	48.6	16%	0.16	31%	0.305	C	S	.	.			trans	-114.4	158.2	168.9	-147.9	-52.8	0	0	0	109.3	S241 P242 I279	S241-D270 WeakPolarHBondContact CA-OD2 3.38Å; P242-D270 WeakPolarHBondContact CA-OD2 3.39Å; P242-D270 WeakPolarHBondContact CD-OD2 3.37Å; P242-D270 WeakPolarHBondContact CG-OD2 3.38Å; D270-I279 HydrophobicContact CB-CD1 4.16Å; D270-I279 HydrophobicContact CB-CG1 4.24Å
271	A	92.4	Very high	92.5	Very high	47 Å²	47	46.6 Å²	46.6	39%	0.388	28%	0.28	S	S	.	.			trans	-104.7	-20	-172.2	0	0	0	0	0	114	R204 E205 N240	R204-A271 PolarHBondContact NH2-O 3.37Å; E205-A271 HydrophobicContact CG-CB 4.01Å; N240-A271 HydrophobicContact CB-CB 4.23Å
272	D	93.6	Very high	92.5	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.048	28%	0.284	C	S	.	.	S	Bend	trans	-66.4	-158.9	-175	-62.2	-10.7	0	0	0	113.4	R204 N238 N240 N276	R204-D272 PolarHBondContact NH2-O 2.68Å; N238-D272 VanDerWaalsContact CA-OD2 3.31Å; N238-D272 WeakPolarHBondContact CA-OD2 3.47Å; N240-D272 VanDerWaalsContact CB-OD1 3.24Å; N240-D272 WeakPolarHBondContact CB-OD1 3.48Å; N240-D272 PolarHBondContact N-OD1 2.92Å; N240-D272 PolarHBondContact ND2-OD1 3.46Å; D272-N276 HydrophobicContact CB-CB 3.57Å
273	D	90.2	Very high	92.5	Very high	87 Å²	87	44.1 Å²	44.1	47%	0.465	27%	0.268	S	S	.	.			trans	-118.4	162	176.7	-140.8	-37.2	0	0	0	113.7	R204 D236 T275 N276 A277	R204-D273 IonicContact CZ-OD2 2.91Å; R204-D273 VanDerWaalsContact NH1-CB 3.25Å; R204-D273 IonicContact NH1-OD2 3.95Å; R204-D273 PolarHBondContact NH1-OD2 2.77Å; D236-D273 HydrophobicContact CB-CB 3.89Å; D236-D273 VanDerWaalsContact CG-CB 3.46Å; D236-D273 WeakPolarHBondContact OD1-CB 3.31Å; D236-D273 PolarHBondContact OD1-N 2.97Å; D236-D273 PolarHBondContact OD2-N 3.2Å; D236-D273 VanDerWaalsContact OD2-N 3.16Å; D273-T275 PolarHBondContact O-N 2.95Å; D273-N276 WeakPolarHBondContact O-CB 3.48Å; D273-N276 PolarHBondContact O-N 2.89Å; D273-A277 PolarHBondContact O-N 2.88Å
274	G	89.1	Confident	92.4	Very high	57 Å²	57	43.4 Å²	43.4	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-102.7	163.3	0	0	0	0	0	115.8
275	T	90.3	Very high	92.1	Very high	89 Å²	89	49.2 Å²	49.2	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-28.1	179	45.9	0	0	0	0	113.6	D273 K278 M327	D273-T275 PolarHBondContact O-N 2.95Å; T275-K278 PolarHBondContact O-N 3.19Å; T275-M327 CarbonylContact O-C 3.6Å; T275-M327 WeakPolarHBondContact O-CB 3.47Å; T275-M327 PolarHBondContact O-N 2.95Å
276	N	89.9	Confident	91.8	Very high	14 Å²	14	52.2 Å²	52.2	8%	0.075	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-39.5	178.4	-57.2	-5.6	0	0	0	108.3	D236 N238 D272 D273 K278 D326 G328	D236-N276 WeakPolarHBondContact OD2-CB 3.45Å; D236-N276 PolarHBondContact OD2-ND2 3.45Å; N238-N276 HydrophobicContact CB-CB 4.15Å; N238-N276 WeakPolarHBondContact OD1-CA 3.29Å; N238-N276 WeakPolarHBondContact OD1-CB 3.44Å; D272-N276 HydrophobicContact CB-CB 3.57Å; D273-N276 WeakPolarHBondContact O-CB 3.48Å; D273-N276 PolarHBondContact O-N 2.89Å; N276-K278 PolarHBondContact O-N 3.13Å; N276-D326 WeakPolarHBondContact O-CB 3.1Å; N276-G328 WeakPolarHBondContact OD1-CA 3.49Å
277	A	90.6	Very high	91.8	Very high	36 Å²	36	52.9 Å²	52.9	30%	0.298	31%	0.311	S	S	.	.	S	Bend	trans	-66	-14.4	167.6	0	0	0	0	0	115.4	D273 I279	D273-A277 PolarHBondContact O-N 2.88Å; A277-I279 PolarHBondContact O-N 3.21Å
278	K	92.7	Very high	91.8	Very high	82 Å²	82	50.8 Å²	50.8	36%	0.357	30%	0.304	S	S	.	.			trans	-87.6	102.4	-171.8	-173.1	173.9	-175	-70.2	0	111.6	T275 N276 D300 D326 M327	T275-K278 PolarHBondContact O-N 3.19Å; N276-K278 PolarHBondContact O-N 3.13Å; K278-D300 IonicContact NZ-OD1 3.16Å; K278-D300 PolarHBondContact NZ-OD1 2.96Å; K278-D326 CarbonylContact O-C 3.55Å; K278-D326 WeakPolarHBondContact O-CA 3.09Å; K278-M327 HydrophobicContact CD-SD 3.84Å; K278-M327 HydrophobicContact CG-SD 4.13Å; K278-M327 WeakPolarHBondContact O-CG 3.24Å; K278-M327 PolarHBondContact O-N 3.11Å; K278-M327 VanDerWaalsContact O-N 3.07Å
279	I	93.8	Very high	91.7	Very high	23 Å²	23	55.1 Å²	55.1	12%	0.118	33%	0.331	C	S	.	.			trans	-74	142	175.6	-59.8	165.4	0	0	0	111.9	P242 A268 D270 A277 Y281 A324 Q325	P242-I279 HydrophobicContact CB-CD1 3.96Å; P242-I279 HydrophobicContact CB-CG1 3.97Å; P242-I279 HydrophobicContact CG-CD1 4.45Å; P242-I279 HydrophobicContact CG-CG1 3.94Å; A268-I279 VanDerWaalsContact C-CD1 3.45Å; A268-I279 HydrophobicContact CB-CD1 4Å; A268-I279 WeakPolarHBondContact O-CD1 3.45Å; D270-I279 HydrophobicContact CB-CD1 4.16Å; D270-I279 HydrophobicContact CB-CG1 4.24Å; A277-I279 PolarHBondContact O-N 3.21Å; I279-Y281 HydrophobicContact CG2-CD1 4.35Å; I279-Y281 HydrophobicContact CG2-CD2 4.22Å; I279-Y281 HydrophobicContact CG2-CE1 3.98Å; I279-Y281 HydrophobicContact CG2-CE2 3.84Å; I279-Y281 HydrophobicContact CG2-CG 4.46Å; I279-A324 HydrophobicContact CG2-CB 3.84Å; I279-Q325 CarbonylContact C-O 3.57Å
280	A	93.9	Very high	91.5	Very high	24 Å²	24	55 Å²	55	20%	0.198	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	165.9	0	0	0	0	0	109.6	T299 Q325	A280-T299 WeakPolarHBondContact CA-O 3.3Å; A280-T299 HydrophobicContact CB-CG2 3.84Å; A280-Q325 PolarHBondContact N-O 3.24Å; A280-Q325 PolarHBondContact O-N 2.63Å
281	Y	95	Very high	91.4	Very high	15 Å²	15	54.1 Å²	54.1	6%	0.059	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138	-179	-59.4	-88.7	0	0	0	112.2	F244 L266 A268 I279 T299 G302 A324	F244-Y281 HydrophobicContact CE1-CD1 4.27Å; F244-Y281 HydrophobicContact CE1-CE1 4.03Å; L266-Y281 PolarHBondContact O-OH 3.38Å; A268-Y281 HydrophobicContact CB-CE1 3.95Å; A268-Y281 PolarHBondContact N-OH 3.24Å; A268-Y281 PolarHBondContact O-OH 3.49Å; I279-Y281 HydrophobicContact CG2-CD1 4.35Å; I279-Y281 HydrophobicContact CG2-CD2 4.22Å; I279-Y281 HydrophobicContact CG2-CE1 3.98Å; I279-Y281 HydrophobicContact CG2-CE2 3.84Å; I279-Y281 HydrophobicContact CG2-CG 4.46Å; Y281-T299 WeakPolarHBondContact CD2-O 3.11Å; Y281-T299 PolarHBondContact N-O 2.86Å; Y281-T299 WeakPolarHBondContact O-CA 3.04Å; Y281-T299 PolarHBondContact O-OG1 2.81Å; Y281-G302 VanDerWaalsContact CD2-N 3.34Å; Y281-A324 HydrophobicContact CD1-CB 3.98Å; Y281-A324 HydrophobicContact CE1-CB 3.97Å
282	S	94.3	Very high	91.4	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	168.9	172.3	78.1	0	0	0	0	112.3	Q323	S282-Q323 PolarHBondContact N-O 2.92Å; S282-Q323 PolarHBondContact O-N 3.29Å; S282-Q323 VanDerWaalsContact O-O 3.12Å; S282-Q323 WeakPolarHBondContact OG-CG 3.42Å; S282-Q323 PolarHBondContact OG-NE2 2.96Å; S282-Q323 VanDerWaalsContact OG-NE2 3.13Å
283	F	95.4	Very high	91.3	Very high	31 Å²	31	61.1 Å²	61.1	14%	0.136	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	151.4	161	-61.6	-57.7	0	0	0	110.1	V287 I292 F295 I297 L304 I320 V322	F283-V287 HydrophobicContact CB-CB 4.27Å; F283-V287 HydrophobicContact CB-CG1 4.45Å; F283-V287 HydrophobicContact CB-CG2 4.14Å; F283-I292 HydrophobicContact CD2-CG1 4.1Å; F283-F295 WeakPolarHBondContact CE2-O 3.37Å; F283-F295 HydrophobicContact CZ-CB 4.16Å; F283-F295 WeakPolarHBondContact CZ-O 3.42Å; F283-I297 HydrophobicContact CD1-CG2 4.49Å; F283-I297 HydrophobicContact CD2-CG2 4.31Å; F283-I297 HydrophobicContact CE1-CB 4.36Å; F283-I297 HydrophobicContact CE1-CG2 4.31Å; F283-I297 HydrophobicContact CE2-CG2 4.15Å; F283-I297 HydrophobicContact CG-CG2 4.48Å; F283-I297 HydrophobicContact CZ-CB 4.23Å; F283-I297 HydrophobicContact CZ-CG2 4.14Å; F283-L304 HydrophobicContact CE1-CD1 3.81Å; F283-L304 HydrophobicContact CZ-CD1 3.96Å; F283-I320 HydrophobicContact CD1-CG2 3.82Å; F283-I320 HydrophobicContact CE1-CG2 3.73Å; F283-V322 HydrophobicContact CD1-CG2 4.42Å
284	S	93.3	Very high	91.5	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.063	32%	0.324	C	S	.	.			trans	-72.6	152.2	171.4	177.9	0	0	0	0	111.3	H286 V287 D321	S284-H286 PolarHBondContact O-N 2.92Å; S284-V287 WeakPolarHBondContact O-CB 3.12Å; S284-V287 WeakPolarHBondContact O-CG2 3.19Å; S284-V287 PolarHBondContact O-N 3.45Å; S284-D321 VanDerWaalsContact CB-O 3.28Å; S284-D321 WeakPolarHBondContact CB-O 3.34Å; S284-D321 PolarHBondContact N-O 2.98Å
285	N	86.9	Confident	91.8	Very high	148 Å²	148	54.4 Å²	54.4	79%	0.791	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.4	179.4	-67.8	-45.4	0	0	0	114.4
286	H	85.8	Confident	92	Very high	162 Å²	162	55.9 Å²	55.9	75%	0.75	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.4	179.3	-56.6	-61.2	0	0	0	113.9	S284	S284-H286 PolarHBondContact O-N 2.92Å
287	V	91.4	Very high	92.3	Very high	16 Å²	16	55.9 Å²	55.9	10%	0.097	29%	0.294	C	S	.	.	S	Bend	trans	-69.3	133.1	-179.7	175.1	0	0	0	0	111.2	F283 S284 I291 I292 D321	F283-V287 HydrophobicContact CB-CB 4.27Å; F283-V287 HydrophobicContact CB-CG1 4.45Å; F283-V287 HydrophobicContact CB-CG2 4.14Å; S284-V287 WeakPolarHBondContact O-CB 3.12Å; S284-V287 WeakPolarHBondContact O-CG2 3.19Å; S284-V287 PolarHBondContact O-N 3.45Å; V287-I291 HydrophobicContact CG1-CB 3.58Å; V287-I291 HydrophobicContact CG1-CD1 3.98Å; V287-I291 HydrophobicContact CG1-CG1 4.39Å; V287-I291 HydrophobicContact CG1-CG2 3.43Å; V287-I291 VanDerWaalsContact CG1-CG2 3.43Å; V287-I292 HydrophobicContact CG1-CG1 3.99Å; V287-D321 HydrophobicContact CG2-CB 3.92Å; V287-D321 WeakPolarHBondContact CG2-O 3.45Å
288	S	90.4	Very high	92.5	Very high	52 Å²	52	57.4 Å²	57.4	36%	0.364	30%	0.298	S	S	.	.			trans	-65.3	147.9	-178.7	78.7	0	0	0	0	112.6	K290 I291 I292	S288-K290 PolarHBondContact O-N 3.22Å; S288-I291 WeakPolarHBondContact O-CB 3.15Å; S288-I291 PolarHBondContact O-N 2.68Å; S288-I292 PolarHBondContact O-N 2.93Å
289	P	89.4	Confident	92.6	Very high	96 Å²	96	57 Å²	57	62%	0.623	30%	0.302	S	S	*	.	H	α-helix	trans	-61	-29.7	178.8	23.2	-33.4	0	0	0	113	I291 I292 E293	P289-I291 PolarHBondContact O-N 2.65Å; P289-I292 PolarHBondContact O-N 3.33Å; P289-E293 PolarHBondContact O-N 2.67Å
290	K	89.3	Confident	92.5	Very high	86 Å²	86	61.2 Å²	61.2	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-35.9	173.9	-171.4	-176.2	178.4	-171.5	0	111.7	S288 T294	S288-K290 PolarHBondContact O-N 3.22Å; K290-T294 WeakPolarHBondContact O-CB 3.31Å; K290-T294 PolarHBondContact O-N 2.87Å; K290-T294 PolarHBondContact O-OG1 2.86Å
291	I	92.4	Very high	92.3	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-71.4	-44.6	176.5	-69.1	162.5	0	0	0	110.5	V287 S288 P289 E293 T294 F295 Y318 D319 I320	V287-I291 HydrophobicContact CG1-CB 3.58Å; V287-I291 HydrophobicContact CG1-CD1 3.98Å; V287-I291 HydrophobicContact CG1-CG1 4.39Å; V287-I291 HydrophobicContact CG1-CG2 3.43Å; V287-I291 VanDerWaalsContact CG1-CG2 3.43Å; S288-I291 WeakPolarHBondContact O-CB 3.15Å; S288-I291 PolarHBondContact O-N 2.68Å; P289-I291 PolarHBondContact O-N 2.65Å; I291-E293 VanDerWaalsContact C-N 3.27Å; I291-E293 PolarHBondContact O-N 2.85Å; I291-T294 PolarHBondContact O-N 3.47Å; I291-F295 HydrophobicContact CG2-CD2 4.04Å; I291-F295 PolarHBondContact O-N 3.41Å; I291-Y318 HydrophobicContact CG1-CD1 3.86Å; I291-D319 VanDerWaalsContact CD1-O 3.27Å; I291-D319 WeakPolarHBondContact CD1-O 3.16Å; I291-I320 HydrophobicContact CD1-CG1 4.43Å; I291-I320 HydrophobicContact CG2-CB 4.46Å; I291-I320 HydrophobicContact CG2-CD1 4.05Å; I291-I320 HydrophobicContact CG2-CG1 3.85Å; I291-I320 HydrophobicContact CG2-CG2 4.03Å
292	I	91.3	Very high	92.2	Very high	88 Å²	88	61.1 Å²	61.1	45%	0.451	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-29.7	-179.4	-56.2	173.7	0	0	0	111.8	F283 V287 S288 P289	F283-I292 HydrophobicContact CD2-CG1 4.1Å; V287-I292 HydrophobicContact CG1-CG1 3.99Å; S288-I292 PolarHBondContact O-N 2.93Å; P289-I292 PolarHBondContact O-N 3.33Å
293	E	92.3	Very high	92.2	Very high	114 Å²	114	62.5 Å²	62.5	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-73	-23.8	169	-76.8	-175.7	-153.3	0	0	114.2	P289 I291 I307 K308	P289-E293 PolarHBondContact O-N 2.67Å; I291-E293 VanDerWaalsContact C-N 3.27Å; I291-E293 PolarHBondContact O-N 2.85Å; E293-I307 WeakPolarHBondContact O-CD1 3.29Å; E293-K308 HydrophobicContact CB-CD 4.39Å; E293-K308 IonicContact OE2-NZ 2.77Å; E293-K308 PolarHBondContact OE2-NZ 2.74Å
294	T	93.8	Very high	92.2	Very high	3 Å²	3	61 Å²	61	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-101.4	-34.8	-169.2	-55.6	0	0	0	0	112.7	K290 I291 L306 I307 K308 V310	K290-T294 WeakPolarHBondContact O-CB 3.31Å; K290-T294 PolarHBondContact O-N 2.87Å; K290-T294 PolarHBondContact O-OG1 2.86Å; I291-T294 PolarHBondContact O-N 3.47Å; T294-L306 HydrophobicContact CG2-CD1 4.19Å; T294-I307 VanDerWaalsContact C-CG1 3.46Å; T294-I307 VanDerWaalsContact O-CG1 3.26Å; T294-I307 WeakPolarHBondContact O-CG1 3.2Å; T294-I307 PolarHBondContact O-N 2.82Å; T294-K308 HydrophobicContact CG2-CB 4.29Å; T294-K308 PolarHBondContact O-N 3.47Å; T294-V310 HydrophobicContact CG2-CG1 3.71Å
295	F	95.7	Very high	92.3	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.3	-177.9	-54.8	-83.7	0	0	0	111	L253 L263 F283 I291 L304 T305 L306 V310 Y318 I320 V340	L253-F295 HydrophobicContact CD2-CE1 4.15Å; L263-F295 HydrophobicContact CD1-CD1 4.48Å; L263-F295 HydrophobicContact CD1-CE1 4.44Å; L263-F295 HydrophobicContact CD2-CD1 3.94Å; L263-F295 HydrophobicContact CD2-CE1 3.64Å; F283-F295 WeakPolarHBondContact CE2-O 3.37Å; F283-F295 HydrophobicContact CZ-CB 4.16Å; F283-F295 WeakPolarHBondContact CZ-O 3.42Å; I291-F295 HydrophobicContact CG2-CD2 4.04Å; I291-F295 PolarHBondContact O-N 3.41Å; F295-L304 HydrophobicContact CB-CD1 4.04Å; F295-T305 CarbonylContact C-O 3.59Å; F295-T305 WeakPolarHBondContact CA-O 3.29Å; F295-L306 HydrophobicContact CD1-CD1 3.97Å; F295-L306 HydrophobicContact CE1-CD1 3.61Å; F295-L306 HydrophobicContact CZ-CD1 4.29Å; F295-V310 HydrophobicContact CZ-CG1 4.11Å; F295-Y318 AromaticContact CE2-CD1 3.92Å; F295-Y318 HydrophobicContact CE2-CD1 3.92Å; F295-Y318 HydrophobicContact CE2-CD2 4.14Å; F295-Y318 HydrophobicContact CE2-CE1 4.22Å; F295-Y318 HydrophobicContact CE2-CE2 4.49Å; F295-Y318 AromaticContact CE2-CG 3.85Å; F295-Y318 HydrophobicContact CE2-CG 3.85Å; F295-Y318 HydrophobicContact CZ-CD2 4.14Å; F295-Y318 HydrophobicContact CZ-CE2 4.46Å; F295-Y318 HydrophobicContact CZ-CG 4.28Å; F295-I320 HydrophobicContact CD1-CD1 4.45Å; F295-I320 HydrophobicContact CD2-CD1 3.67Å; F295-I320 HydrophobicContact CE2-CD1 3.9Å; F295-I320 HydrophobicContact CG-CD1 3.96Å; F295-I320 HydrophobicContact CZ-CD1 4.39Å; F295-V340 HydrophobicContact CZ-CG1 4.4Å
296	K	95	Very high	92.7	Very high	119 Å²	119	55.3 Å²	55.3	52%	0.517	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.1	174.7	-179.8	-176.2	175.4	-171.8	0	110.2	T305 I307	K296-T305 PolarHBondContact N-O 3.37Å; K296-T305 PolarHBondContact O-N 3.38Å; K296-T305 PolarHBondContact O-OG1 3.45Å; K296-I307 HydrophobicContact CB-CD1 4.22Å; K296-I307 HydrophobicContact CB-CG1 4.37Å; K296-I307 HydrophobicContact CB-CG2 3.53Å; K296-I307 HydrophobicContact CD-CG2 4.35Å
297	I	95.7	Very high	93.2	Very high	14 Å²	14	51 Å²	51	7%	0.072	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.6	167.3	-167.5	162.9	0	0	0	110.7	L266 F283 H303 L304 V322	L266-I297 HydrophobicContact CD1-CD1 3.84Å; F283-I297 HydrophobicContact CD1-CG2 4.49Å; F283-I297 HydrophobicContact CD2-CG2 4.31Å; F283-I297 HydrophobicContact CE1-CB 4.36Å; F283-I297 HydrophobicContact CE1-CG2 4.31Å; F283-I297 HydrophobicContact CE2-CG2 4.15Å; F283-I297 HydrophobicContact CG-CG2 4.48Å; F283-I297 HydrophobicContact CZ-CB 4.23Å; F283-I297 HydrophobicContact CZ-CG2 4.14Å; I297-H303 CarbonylContact C-O 3.56Å; I297-H303 WeakPolarHBondContact CA-O 3.03Å; I297-L304 HydrophobicContact CB-CD1 4.27Å; I297-V322 HydrophobicContact CD1-CG1 3.49Å; I297-V322 VanDerWaalsContact CD1-CG1 3.49Å; I297-V322 HydrophobicContact CD1-CG2 4.29Å
298	N	95.1	Very high	93.3	Very high	69 Å²	69	54.5 Å²	54.5	37%	0.369	29%	0.286	S	S	.	.			trans	-90.2	124	171.1	-171	27.7	0	0	0	111.1	D300 S301 G302 H303	N298-D300 PolarHBondContact O-N 2.75Å; N298-S301 WeakPolarHBondContact ND2-CB 3.47Å; N298-S301 PolarHBondContact ND2-OG 2.86Å; N298-S301 PolarHBondContact O-N 2.87Å; N298-G302 PolarHBondContact O-N 2.9Å; N298-H303 HydrophobicContact CB-CB 4.18Å; N298-H303 PolarHBondContact N-O 3.09Å
299	T	94.1	Very high	93.4	Very high	72 Å²	72	62 Å²	62	44%	0.442	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-37.5	-171	-55.8	0	0	0	0	113.9	A280 Y281	A280-T299 WeakPolarHBondContact CA-O 3.3Å; A280-T299 HydrophobicContact CB-CG2 3.84Å; Y281-T299 WeakPolarHBondContact CD2-O 3.11Å; Y281-T299 PolarHBondContact N-O 2.86Å; Y281-T299 WeakPolarHBondContact O-CA 3.04Å; Y281-T299 PolarHBondContact O-OG1 2.81Å
300	D	91.1	Very high	93.6	Very high	113 Å²	113	57.8 Å²	57.8	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.2	179.7	-66.6	-74.6	0	0	0	114.3	K278 N298	K278-D300 IonicContact NZ-OD1 3.16Å; K278-D300 PolarHBondContact NZ-OD1 2.96Å; N298-D300 PolarHBondContact O-N 2.75Å
301	S	91.2	Very high	93.9	Very high	37 Å²	37	57.2 Å²	57.2	26%	0.259	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	7.3	-171.6	90.6	0	0	0	0	116.3	N298 H303	N298-S301 WeakPolarHBondContact ND2-CB 3.47Å; N298-S301 PolarHBondContact ND2-OG 2.86Å; N298-S301 PolarHBondContact O-N 2.87Å; S301-H303 PolarHBondContact O-CD2 2.72Å; S301-H303 PolarHBondContact O-N 2.83Å; S301-H303 PolarHBondContact OG-CD2 2.77Å; S301-H303 VanDerWaalsContact OG-CG 3.31Å
302	G	91.4	Very high	94	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.			trans	67.8	-14.5	174.6	0	0	0	0	0	116.6	L266 Y281 N298 L304	L266-G302 WeakPolarHBondContact CB-O 3.43Å; L266-G302 WeakPolarHBondContact CD1-O 2.98Å; Y281-G302 VanDerWaalsContact CD2-N 3.34Å; N298-G302 PolarHBondContact O-N 2.9Å; G302-L304 PolarHBondContact O-N 3.27Å; G302-L304 VanDerWaalsContact O-N 3.13Å
303	H	94.9	Very high	94.1	Very high	71 Å²	71	58.4 Å²	58.4	33%	0.329	28%	0.281	S	S	.	.			trans	-53.1	115.9	-178	-69.9	-172.4	0	0	0	111.9	L262 D265 I297 N298 S301	L262-H303 HydrophobicContact CD1-CB 3.65Å; D265-H303 IonicContact OD1-CD2 2.72Å; D265-H303 PolarHBondContact OD1-CD2 2.89Å; D265-H303 IonicContact OD1-NE2 3.93Å; I297-H303 CarbonylContact C-O 3.56Å; I297-H303 WeakPolarHBondContact CA-O 3.03Å; N298-H303 HydrophobicContact CB-CB 4.18Å; N298-H303 PolarHBondContact N-O 3.09Å; S301-H303 PolarHBondContact O-CD2 2.72Å; S301-H303 PolarHBondContact O-N 2.83Å; S301-H303 PolarHBondContact OG-CD2 2.77Å; S301-H303 VanDerWaalsContact OG-CG 3.31Å
304	L	95.6	Very high	94.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.8	171.6	-175.5	65.4	0	0	0	109.9	L263 I264 F283 F295 I297 G302 I320 I338	L263-L304 HydrophobicContact CB-CD2 4.47Å; L263-L304 HydrophobicContact CB-CG 4.5Å; L263-L304 HydrophobicContact CD2-CD2 4.33Å; L263-L304 PolarHBondContact N-O 2.78Å; I264-L304 HydrophobicContact CG2-CB 3.79Å; I264-L304 HydrophobicContact CG2-CD2 4.05Å; I264-L304 PolarHBondContact O-N 3.07Å; F283-L304 HydrophobicContact CE1-CD1 3.81Å; F283-L304 HydrophobicContact CZ-CD1 3.96Å; F295-L304 HydrophobicContact CB-CD1 4.04Å; I297-L304 HydrophobicContact CB-CD1 4.27Å; G302-L304 PolarHBondContact O-N 3.27Å; G302-L304 VanDerWaalsContact O-N 3.13Å; L304-I320 HydrophobicContact CD2-CD1 4.35Å; L304-I338 HydrophobicContact CD2-CD1 3.96Å; L304-I338 HydrophobicContact CD2-CG2 4.26Å
305	T	95.4	Very high	94	Very high	37 Å²	37	58.1 Å²	58.1	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.2	-172.7	57.2	0	0	0	0	112.6	T261 L262 F295 K296	T261-T305 CarbonylContact O-C 3.53Å; T261-T305 WeakPolarHBondContact O-CA 3.41Å; L262-T305 HydrophobicContact CD1-CG2 3.99Å; F295-T305 CarbonylContact C-O 3.59Å; F295-T305 WeakPolarHBondContact CA-O 3.29Å; K296-T305 PolarHBondContact N-O 3.37Å; K296-T305 PolarHBondContact O-N 3.38Å; K296-T305 PolarHBondContact O-OG1 3.45Å
306	L	96.2	Very high	93.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.8	175.3	-172.2	67.4	0	0	0	110.5	L253 G260 T261 L263 T294 F295 K308 V310	L253-L306 HydrophobicContact CD2-CD1 4.21Å; L253-L306 HydrophobicContact CD2-CD2 4.49Å; G260-L306 PolarHBondContact N-O 2.98Å; T261-L306 PolarHBondContact O-N 2.9Å; L263-L306 HydrophobicContact CD1-CB 3.98Å; T294-L306 HydrophobicContact CG2-CD1 4.19Å; F295-L306 HydrophobicContact CD1-CD1 3.97Å; F295-L306 HydrophobicContact CE1-CD1 3.61Å; F295-L306 HydrophobicContact CZ-CD1 4.29Å; L306-K308 WeakPolarHBondContact CD1-O 3.4Å; L306-K308 VanDerWaalsContact CG-O 3.23Å; L306-K308 WeakPolarHBondContact CG-O 3.04Å; L306-V310 HydrophobicContact CD1-CG1 4.1Å; L306-V310 HydrophobicContact CD1-CG2 4.46Å
307	I	94.8	Very high	93.9	Very high	73 Å²	73	59.1 Å²	59.1	37%	0.374	30%	0.304	S	S	.	.			trans	-112.1	-13.4	-179.9	58.3	161	0	0	0	114.6	V259 E293 T294 K296	V259-I307 WeakPolarHBondContact CG1-O 3.42Å; E293-I307 WeakPolarHBondContact O-CD1 3.29Å; T294-I307 VanDerWaalsContact C-CG1 3.46Å; T294-I307 VanDerWaalsContact O-CG1 3.26Å; T294-I307 WeakPolarHBondContact O-CG1 3.2Å; T294-I307 PolarHBondContact O-N 2.82Å; K296-I307 HydrophobicContact CB-CD1 4.22Å; K296-I307 HydrophobicContact CB-CG1 4.37Å; K296-I307 HydrophobicContact CB-CG2 3.53Å; K296-I307 HydrophobicContact CD-CG2 4.35Å
308	K	93.9	Very high	93.8	Very high	89 Å²	89	59.3 Å²	59.3	39%	0.387	30%	0.304	S	S	.	.	S	Bend	trans	-131.6	154.8	176.3	-161.1	177.1	-177.9	-179.1	0	107.7	E293 T294 L306	E293-K308 HydrophobicContact CB-CD 4.39Å; E293-K308 IonicContact OE2-NZ 2.77Å; E293-K308 PolarHBondContact OE2-NZ 2.74Å; T294-K308 HydrophobicContact CG2-CB 4.29Å; T294-K308 PolarHBondContact O-N 3.47Å; L306-K308 WeakPolarHBondContact CD1-O 3.4Å; L306-K308 VanDerWaalsContact CG-O 3.23Å; L306-K308 WeakPolarHBondContact CG-O 3.04Å
309	R	93.1	Very high	93.7	Very high	208 Å²	208	59.8 Å²	59.8	79%	0.785	31%	0.307	S	S	*	.			trans	-65.7	144.6	170.8	-66.4	-174.4	-177.2	-173.1	-1.7	109.9	V259	V259-R309 HydrophobicContact CG2-CG 4.28Å
310	V	94.2	Very high	93.8	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	29%	0.286	C	S	.	.			trans	-97.5	167.8	165	-78.2	0	0	0	0	108.9	L253 E255 T294 F295 L306 Y318 V342	L253-V310 HydrophobicContact CD2-CG1 4.41Å; L253-V310 HydrophobicContact CD2-CG2 3.74Å; L253-V310 HydrophobicContact CG-CG2 4.32Å; E255-V310 HydrophobicContact CB-CG2 4.36Å; T294-V310 HydrophobicContact CG2-CG1 3.71Å; F295-V310 HydrophobicContact CZ-CG1 4.11Å; L306-V310 HydrophobicContact CD1-CG1 4.1Å; L306-V310 HydrophobicContact CD1-CG2 4.46Å; V310-Y318 HydrophobicContact CG1-CE2 3.74Å; V310-V342 HydrophobicContact CB-CG2 4.4Å
311	D	94.2	Very high	93.9	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	27%	0.267	S	S	.	.			trans	-161.8	114.2	-163.4	178.1	123.7	0	0	0	105.1	T314 A315	D311-T314 WeakPolarHBondContact OD2-CA 3.35Å; D311-T314 WeakPolarHBondContact OD2-CB 3.42Å; D311-T314 PolarHBondContact OD2-N 2.72Å; D311-T314 PolarHBondContact OD2-OG1 2.88Å; D311-A315 PolarHBondContact O-N 2.96Å
312	Y	95.3	Very high	94.1	Very high	57 Å²	57	51 Å²	51	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-71.2	-40	-168	178.5	-91.9	0	0	0	111	E255 T314 A315 N316 V342 D344	E255-Y312 WeakPolarHBondContact OE2-CB 3.27Å; E255-Y312 PolarHBondContact OE2-N 2.89Å; Y312-T314 VanDerWaalsContact C-N 3.3Å; Y312-T314 PolarHBondContact O-N 2.77Å; Y312-A315 CarbonylContact O-C 3.52Å; Y312-A315 VanDerWaalsContact O-C 3.31Å; Y312-A315 PolarHBondContact O-N 3.5Å; Y312-A315 VanDerWaalsContact O-N 3.16Å; Y312-N316 HydrophobicContact CD2-CB 3.76Å; Y312-N316 HydrophobicContact CE1-CB 4.42Å; Y312-N316 HydrophobicContact CE2-CB 3.47Å; Y312-N316 VanDerWaalsContact CE2-CB 3.47Å; Y312-N316 HydrophobicContact CG-CB 4.34Å; Y312-N316 PolarHBondContact O-N 2.87Å; Y312-V342 HydrophobicContact CD2-CB 4.04Å; Y312-V342 HydrophobicContact CD2-CG1 4.05Å; Y312-D344 HydrophobicContact CD1-CB 4.05Å; Y312-D344 HydrophobicContact CD2-CB 4.06Å; Y312-D344 HydrophobicContact CE1-CB 4.07Å; Y312-D344 HydrophobicContact CE2-CB 4.08Å; Y312-D344 HydrophobicContact CG-CB 4.06Å
313	E	94.3	Very high	94.2	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-40.6	178.2	-66.1	55.7	-111.9	0	0	110.1	L385	E313-L385 HydrophobicContact CG-CB 3.92Å
314	T	91.6	Very high	94.2	Very high	93 Å²	93	48.4 Å²	48.4	57%	0.571	24%	0.242	S	C	*	.	H	α-helix	trans	-78.2	-33.6	174.4	-61.7	0	0	0	0	113.3	D311 Y312	D311-T314 WeakPolarHBondContact OD2-CA 3.35Å; D311-T314 WeakPolarHBondContact OD2-CB 3.42Å; D311-T314 PolarHBondContact OD2-N 2.72Å; D311-T314 PolarHBondContact OD2-OG1 2.88Å; Y312-T314 VanDerWaalsContact C-N 3.3Å; Y312-T314 PolarHBondContact O-N 2.77Å
315	A	91.4	Very high	94.1	Very high	17 Å²	17	51.6 Å²	51.6	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-165.7	93	178.8	0	0	0	0	0	114.8	D311 Y312 S317 Y318 V342	D311-A315 PolarHBondContact O-N 2.96Å; Y312-A315 CarbonylContact O-C 3.52Å; Y312-A315 VanDerWaalsContact O-C 3.31Å; Y312-A315 PolarHBondContact O-N 3.5Å; Y312-A315 VanDerWaalsContact O-N 3.16Å; A315-S317 PolarHBondContact O-N 2.93Å; A315-Y318 HydrophobicContact CB-CE1 4.47Å; A315-Y318 HydrophobicContact CB-CE2 4.06Å; A315-V342 VanDerWaalsContact O-CG2 3.27Å; A315-V342 WeakPolarHBondContact O-CG2 3.38Å
316	N	93.3	Very high	94.1	Very high	86 Å²	86	50.3 Å²	50.3	46%	0.46	25%	0.249	S	C	.	.	S	Bend	trans	-58.5	-12.5	174.2	67.8	28.6	0	0	0	116.3	Y312 V342	Y312-N316 HydrophobicContact CD2-CB 3.76Å; Y312-N316 HydrophobicContact CE1-CB 4.42Å; Y312-N316 HydrophobicContact CE2-CB 3.47Å; Y312-N316 VanDerWaalsContact CE2-CB 3.47Å; Y312-N316 HydrophobicContact CG-CB 4.34Å; Y312-N316 PolarHBondContact O-N 2.87Å; N316-V342 PolarHBondContact O-N 2.8Å
317	S	94.6	Very high	93.8	Very high	55 Å²	55	55.7 Å²	55.7	39%	0.385	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	155	-178.9	50.5	0	0	0	0	114.6	A315 V340	A315-S317 PolarHBondContact O-N 2.93Å; S317-V340 CarbonylContact C-O 3.56Å; S317-V340 VanDerWaalsContact CA-O 3.26Å; S317-V340 WeakPolarHBondContact CA-O 3.31Å
318	Y	94.3	Very high	93.5	Very high	18 Å²	18	53 Å²	53	7%	0.071	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.4	175.9	-60.5	-99.8	0	0	0	109.6	I291 F295 V310 A315 V340 V342	I291-Y318 HydrophobicContact CG1-CD1 3.86Å; F295-Y318 AromaticContact CE2-CD1 3.92Å; F295-Y318 HydrophobicContact CE2-CD1 3.92Å; F295-Y318 HydrophobicContact CE2-CD2 4.14Å; F295-Y318 HydrophobicContact CE2-CE1 4.22Å; F295-Y318 HydrophobicContact CE2-CE2 4.49Å; F295-Y318 AromaticContact CE2-CG 3.85Å; F295-Y318 HydrophobicContact CE2-CG 3.85Å; F295-Y318 HydrophobicContact CZ-CD2 4.14Å; F295-Y318 HydrophobicContact CZ-CE2 4.46Å; F295-Y318 HydrophobicContact CZ-CG 4.28Å; V310-Y318 HydrophobicContact CG1-CE2 3.74Å; A315-Y318 HydrophobicContact CB-CE1 4.47Å; A315-Y318 HydrophobicContact CB-CE2 4.06Å; Y318-V340 PolarHBondContact N-O 2.81Å; Y318-V340 PolarHBondContact O-N 3.29Å; Y318-V342 HydrophobicContact CD2-CG2 4.09Å; Y318-V342 HydrophobicContact CE2-CG2 3.85Å
319	D	93.9	Very high	93.1	Very high	79 Å²	79	52.8 Å²	52.8	42%	0.422	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.1	166.9	-175.7	19	0	0	0	108.9	I291 K337	I291-D319 VanDerWaalsContact CD1-O 3.27Å; I291-D319 WeakPolarHBondContact CD1-O 3.16Å; D319-K337 IonicContact OD1-NZ 2.59Å; D319-K337 PolarHBondContact OD1-NZ 2.59Å; D319-K337 IonicContact OD2-NZ 2.59Å; D319-K337 PolarHBondContact OD2-NZ 3.31Å
320	I	94.7	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	104.5	-173	-51.6	-179.5	0	0	0	108.8	F283 I291 F295 L304 V322 I338 V340	F283-I320 HydrophobicContact CD1-CG2 3.82Å; F283-I320 HydrophobicContact CE1-CG2 3.73Å; I291-I320 HydrophobicContact CD1-CG1 4.43Å; I291-I320 HydrophobicContact CG2-CB 4.46Å; I291-I320 HydrophobicContact CG2-CD1 4.05Å; I291-I320 HydrophobicContact CG2-CG1 3.85Å; I291-I320 HydrophobicContact CG2-CG2 4.03Å; F295-I320 HydrophobicContact CD1-CD1 4.45Å; F295-I320 HydrophobicContact CD2-CD1 3.67Å; F295-I320 HydrophobicContact CE2-CD1 3.9Å; F295-I320 HydrophobicContact CG-CD1 3.96Å; F295-I320 HydrophobicContact CZ-CD1 4.39Å; L304-I320 HydrophobicContact CD2-CD1 4.35Å; I320-V322 HydrophobicContact CG2-CG2 4.02Å; I320-V322 PolarHBondContact O-N 3.44Å; I320-I338 HydrophobicContact CB-CB 4.29Å; I320-I338 PolarHBondContact N-O 3.23Å; I320-I338 PolarHBondContact O-N 3.18Å; I320-V340 HydrophobicContact CD1-CG2 3.76Å
321	D	94.3	Very high	92.6	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.203	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	103.8	170.2	-76.3	-48.9	0	0	0	110.4	S284 V287 K337	S284-D321 VanDerWaalsContact CB-O 3.28Å; S284-D321 WeakPolarHBondContact CB-O 3.34Å; S284-D321 PolarHBondContact N-O 2.98Å; V287-D321 HydrophobicContact CG2-CB 3.92Å; V287-D321 WeakPolarHBondContact CG2-O 3.45Å; D321-K337 VanDerWaalsContact OD1-CE 3.26Å; D321-K337 WeakPolarHBondContact OD1-CE 3.43Å; D321-K337 WeakPolarHBondContact OD1-CG 3.49Å; D321-K337 IonicContact OD1-NZ 3.18Å; D321-K337 PolarHBondContact OD1-NZ 3.32Å; D321-K337 IonicContact OD2-NZ 3.65Å; D321-K337 PolarHBondContact OD2-NZ 3.02Å
322	V	95.1	Very high	92.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.1	172.1	177.1	0	0	0	0	109.4	F244 L266 F283 I297 I320 H335 C336 I338	F244-V322 HydrophobicContact CZ-CG1 4.21Å; L266-V322 HydrophobicContact CD1-CB 4.46Å; L266-V322 HydrophobicContact CD1-CG1 3.97Å; L266-V322 HydrophobicContact CD1-CG2 4.19Å; F283-V322 HydrophobicContact CD1-CG2 4.42Å; I297-V322 HydrophobicContact CD1-CG1 3.49Å; I297-V322 VanDerWaalsContact CD1-CG1 3.49Å; I297-V322 HydrophobicContact CD1-CG2 4.29Å; I320-V322 HydrophobicContact CG2-CG2 4.02Å; I320-V322 PolarHBondContact O-N 3.44Å; V322-H335 WeakPolarHBondContact O-CA 3.26Å; V322-C336 PolarHBondContact N-O 2.84Å; V322-C336 PolarHBondContact O-N 3.37Å; V322-I338 HydrophobicContact CB-CD1 4.36Å; V322-I338 HydrophobicContact CG2-CD1 3.6Å; V322-I338 HydrophobicContact CG2-CG1 4.39Å
323	Q	94	Very high	92	Very high	16 Å²	16	52.4 Å²	52.4	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146	169	67.6	-179.4	42.5	0	0	112.1	S282 P333 A334 H335	S282-Q323 PolarHBondContact N-O 2.92Å; S282-Q323 PolarHBondContact O-N 3.29Å; S282-Q323 VanDerWaalsContact O-O 3.12Å; S282-Q323 WeakPolarHBondContact OG-CG 3.42Å; S282-Q323 PolarHBondContact OG-NE2 2.96Å; S282-Q323 VanDerWaalsContact OG-NE2 3.13Å; Q323-P333 HydrophobicContact CB-CB 4.46Å; Q323-A334 CarbonylContact C-O 3.45Å; Q323-A334 WeakPolarHBondContact CA-O 3.43Å; Q323-A334 WeakPolarHBondContact CB-O 3.35Å; Q323-H335 WeakPolarHBondContact CB-ND1 3.2Å
324	A	94.7	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.2	167.8	0	0	0	0	0	107.5	P242 F244 A268 I279 Y281 P333 A334	P242-A324 HydrophobicContact CB-CB 3.95Å; F244-A324 HydrophobicContact CE1-CB 4.06Å; F244-A324 HydrophobicContact CE2-CB 3.65Å; F244-A324 HydrophobicContact CZ-CB 3.38Å; A268-A324 HydrophobicContact CB-CB 3.88Å; I279-A324 HydrophobicContact CG2-CB 3.84Å; Y281-A324 HydrophobicContact CD1-CB 3.98Å; Y281-A324 HydrophobicContact CE1-CB 3.97Å; A324-P333 WeakPolarHBondContact O-CA 3.45Å; A324-A334 PolarHBondContact N-O 3.43Å; A324-A334 PolarHBondContact O-N 2.75Å
325	Q	93.3	Very high	92	Very high	68 Å²	68	50.8 Å²	50.8	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.4	-177.7	-169.8	171.1	10.5	0	0	109	I279 A280 S331 P333	I279-Q325 CarbonylContact C-O 3.57Å; A280-Q325 PolarHBondContact N-O 3.24Å; A280-Q325 PolarHBondContact O-N 2.63Å; Q325-S331 WeakPolarHBondContact CG-OG 3.48Å; Q325-S331 PolarHBondContact NE2-OG 2.87Å; Q325-P333 HydrophobicContact CB-CB 4.23Å; Q325-P333 HydrophobicContact CG-CB 4.27Å
326	D	94.1	Very high	92.1	Very high	9 Å²	9	50 Å²	50	5%	0.048	28%	0.275	C	S	.	.			trans	-68.9	179	173.7	62	81.9	0	0	0	112.5	N238 P242 N276 K278 G328 S331	N238-D326 PolarHBondContact OD1-OD1 3.47Å; P242-D326 HydrophobicContact CG-CB 4.29Å; N276-D326 WeakPolarHBondContact O-CB 3.1Å; K278-D326 CarbonylContact O-C 3.55Å; K278-D326 WeakPolarHBondContact O-CA 3.09Å; D326-G328 WeakPolarHBondContact OD1-CA 3.45Å; D326-G328 PolarHBondContact OD1-N 3.27Å; D326-S331 VanDerWaalsContact CG-CB 3.49Å; D326-S331 WeakPolarHBondContact OD1-CB 3.23Å; D326-S331 PolarHBondContact OD1-OG 3.06Å; D326-S331 VanDerWaalsContact OD1-OG 3.07Å; D326-S331 WeakPolarHBondContact OD2-CA 3.25Å; D326-S331 VanDerWaalsContact OD2-CB 3.22Å; D326-S331 WeakPolarHBondContact OD2-CB 3.21Å; D326-S331 PolarHBondContact OD2-OG 2.97Å
327	M	90.8	Very high	92.1	Very high	113 Å²	113	49.8 Å²	49.8	56%	0.557	27%	0.27	S	S	*	.	S	Bend	trans	-110.4	18.8	175.5	-66	-169.5	74	0	0	113	T275 K278	T275-M327 CarbonylContact O-C 3.6Å; T275-M327 WeakPolarHBondContact O-CB 3.47Å; T275-M327 PolarHBondContact O-N 2.95Å; K278-M327 HydrophobicContact CD-SD 3.84Å; K278-M327 HydrophobicContact CG-SD 4.13Å; K278-M327 WeakPolarHBondContact O-CG 3.24Å; K278-M327 PolarHBondContact O-N 3.11Å; K278-M327 VanDerWaalsContact O-N 3.07Å
328	G	88.4	Confident	92.2	Very high	16 Å²	16	47.1 Å²	47.1	17%	0.165	25%	0.252	C	S	.	.	S	Bend	trans	-96.5	177.6	-179.4	0	0	0	0	0	115.1	N238 N276 D326	N238-G328 WeakPolarHBondContact OD1-CA 3.45Å; N276-G328 WeakPolarHBondContact OD1-CA 3.49Å; D326-G328 WeakPolarHBondContact OD1-CA 3.45Å; D326-G328 PolarHBondContact OD1-N 3.27Å
329	P	86.4	Confident	92.2	Very high	85 Å²	85	49.1 Å²	49.1	55%	0.552	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	130.4	-178.5	31.6	-33.3	0	0	0	112	S331	P329-S331 VanDerWaalsContact C-N 3.26Å
330	N	87	Confident	92.3	Very high	155 Å²	155	45.3 Å²	45.3	83%	0.829	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	14	-175.2	-39.3	-73.2	0	0	0	115.5	M332	N330-M332 PolarHBondContact O-N 2.92Å
331	S	88.7	Confident	92.4	Very high	20 Å²	20	50.2 Å²	50.2	14%	0.14	26%	0.264	C	S	.	.			trans	-28.6	128.1	168.3	-179.7	0	0	0	0	115.6	Q325 D326 P329	Q325-S331 WeakPolarHBondContact CG-OG 3.48Å; Q325-S331 PolarHBondContact NE2-OG 2.87Å; D326-S331 VanDerWaalsContact CG-CB 3.49Å; D326-S331 WeakPolarHBondContact OD1-CB 3.23Å; D326-S331 PolarHBondContact OD1-OG 3.06Å; D326-S331 VanDerWaalsContact OD1-OG 3.07Å; D326-S331 WeakPolarHBondContact OD2-CA 3.25Å; D326-S331 VanDerWaalsContact OD2-CB 3.22Å; D326-S331 WeakPolarHBondContact OD2-CB 3.21Å; D326-S331 PolarHBondContact OD2-OG 2.97Å; P329-S331 VanDerWaalsContact C-N 3.26Å
332	M	86.9	Confident	92.5	Very high	122 Å²	122	48.8 Å²	48.8	60%	0.601	26%	0.257	S	S	*	.			trans	-110.6	117.4	174.8	-77	-64.4	-57.4	0	0	110.5	N330 A334	N330-M332 PolarHBondContact O-N 2.92Å; M332-A334 PolarHBondContact O-N 2.82Å
333	P	90.9	Very high	92.5	Very high	43 Å²	43	51.7 Å²	51.7	28%	0.279	27%	0.274	S	S	.	.			trans	-71.6	131.5	-179.5	29.2	-34.2	0	0	0	111.2	Q323 A324 Q325	Q323-P333 HydrophobicContact CB-CB 4.46Å; A324-P333 WeakPolarHBondContact O-CA 3.45Å; Q325-P333 HydrophobicContact CB-CB 4.23Å; Q325-P333 HydrophobicContact CG-CB 4.27Å
334	A	92.7	Very high	92.5	Very high	24 Å²	24	52.3 Å²	52.3	20%	0.198	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	158.2	167.5	0	0	0	0	0	111.2	P242 F244 Q323 A324 M332	P242-A334 WeakPolarHBondContact O-CB 3.48Å; F244-A334 HydrophobicContact CD2-CB 4.4Å; F244-A334 HydrophobicContact CE2-CB 4.37Å; Q323-A334 CarbonylContact C-O 3.45Å; Q323-A334 WeakPolarHBondContact CA-O 3.43Å; Q323-A334 WeakPolarHBondContact CB-O 3.35Å; A324-A334 PolarHBondContact N-O 3.43Å; A324-A334 PolarHBondContact O-N 2.75Å; M332-A334 PolarHBondContact O-N 2.82Å
335	H	91.9	Very high	92.5	Very high	102 Å²	102	54.3 Å²	54.3	47%	0.472	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.1	-173.5	-64.3	-58	0	0	0	113	V322 Q323	V322-H335 WeakPolarHBondContact O-CA 3.26Å; Q323-H335 WeakPolarHBondContact CB-ND1 3.2Å
336	C	93.6	Very high	92.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.7	174.7	-175.7	0	0	0	0	110.4	F244 K246 Y249 V322	F244-C336 HydrophobicContact CB-CB 4.38Å; F244-C336 HydrophobicContact CD1-CB 3.98Å; F244-C336 HydrophobicContact CD2-CB 3.65Å; F244-C336 HydrophobicContact CE1-CB 4.07Å; F244-C336 HydrophobicContact CE2-CB 3.75Å; F244-C336 HydrophobicContact CG-CB 3.76Å; F244-C336 HydrophobicContact CZ-CB 3.95Å; K246-C336 PolarHBondContact O-SG 3.39Å; Y249-C336 VanDerWaalsContact CD2-SG 3.53Å; Y249-C336 VanDerWaalsContact CE2-SG 3.55Å; V322-C336 PolarHBondContact N-O 2.84Å; V322-C336 PolarHBondContact O-N 3.37Å
337	K	94.4	Very high	92.6	Very high	81 Å²	81	56.3 Å²	56.3	35%	0.352	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.3	178.1	-68.2	-156.6	143.3	-69.8	0	112.2	S247 S248 Y249 D319 D321	S247-K337 PolarHBondContact O-N 2.78Å; S248-K337 CarbonylContact C-O 3.59Å; S248-K337 WeakPolarHBondContact CA-O 3.49Å; S248-K337 VanDerWaalsContact CB-O 3.27Å; S248-K337 WeakPolarHBondContact CB-O 3.34Å; Y249-K337 PolarHBondContact N-O 2.91Å; D319-K337 IonicContact OD1-NZ 2.59Å; D319-K337 PolarHBondContact OD1-NZ 2.59Å; D319-K337 IonicContact OD2-NZ 2.59Å; D319-K337 PolarHBondContact OD2-NZ 3.31Å; D321-K337 VanDerWaalsContact OD1-CE 3.26Å; D321-K337 WeakPolarHBondContact OD1-CE 3.43Å; D321-K337 WeakPolarHBondContact OD1-CG 3.49Å; D321-K337 IonicContact OD1-NZ 3.18Å; D321-K337 PolarHBondContact OD1-NZ 3.32Å; D321-K337 IonicContact OD2-NZ 3.65Å; D321-K337 PolarHBondContact OD2-NZ 3.02Å
338	I	95.2	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	105.4	176	-54.1	173.3	0	0	0	109	Y249 I251 I264 L266 L304 I320 V322 V340	Y249-I338 HydrophobicContact CD2-CG1 4.36Å; I251-I338 HydrophobicContact CD1-CG2 3.57Å; I251-I338 HydrophobicContact CG1-CG2 4.21Å; I264-I338 HydrophobicContact CG2-CD1 4.26Å; L266-I338 HydrophobicContact CD1-CD1 3.56Å; L266-I338 HydrophobicContact CD2-CD1 3.74Å; L266-I338 HydrophobicContact CG-CD1 4.23Å; L304-I338 HydrophobicContact CD2-CD1 3.96Å; L304-I338 HydrophobicContact CD2-CG2 4.26Å; I320-I338 HydrophobicContact CB-CB 4.29Å; I320-I338 PolarHBondContact N-O 3.23Å; I320-I338 PolarHBondContact O-N 3.18Å; V322-I338 HydrophobicContact CB-CD1 4.36Å; V322-I338 HydrophobicContact CG2-CD1 3.6Å; V322-I338 HydrophobicContact CG2-CG1 4.39Å; I338-V340 HydrophobicContact CG2-CG2 4.18Å; I338-V340 PolarHBondContact O-N 3Å
339	L	95.6	Very high	93	Very high	59 Å²	59	57.6 Å²	57.6	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	99.6	173.5	179.7	62.5	0	0	0	109.3	Y249 V250 I251 K341	Y249-L339 PolarHBondContact O-N 2.96Å; V250-L339 WeakPolarHBondContact CA-O 3.47Å; V250-L339 HydrophobicContact CG1-CD2 4.48Å; V250-L339 HydrophobicContact CG2-CB 4.41Å; I251-L339 PolarHBondContact N-O 3.29Å; L339-K341 HydrophobicContact CD2-CG 4.41Å; L339-K341 HydrophobicContact CG-CG 4.2Å; L339-K341 PolarHBondContact O-N 2.83Å
340	V	96.2	Very high	93.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.2	168.5	-172.9	0	0	0	0	107.7	I251 L253 L263 F295 S317 Y318 I320 I338	I251-V340 WeakPolarHBondContact O-CA 3.41Å; L253-V340 HydrophobicContact CB-CG1 3.79Å; L253-V340 HydrophobicContact CD2-CG1 3.93Å; L263-V340 HydrophobicContact CD2-CG1 4.01Å; L263-V340 HydrophobicContact CD2-CG2 3.66Å; F295-V340 HydrophobicContact CZ-CG1 4.4Å; S317-V340 CarbonylContact C-O 3.56Å; S317-V340 VanDerWaalsContact CA-O 3.26Å; S317-V340 WeakPolarHBondContact CA-O 3.31Å; Y318-V340 PolarHBondContact N-O 2.81Å; Y318-V340 PolarHBondContact O-N 3.29Å; I320-V340 HydrophobicContact CD1-CG2 3.76Å; I338-V340 HydrophobicContact CG2-CG2 4.18Å; I338-V340 PolarHBondContact O-N 3Å
341	K	95.9	Very high	93.8	Very high	102 Å²	102	50.9 Å²	50.9	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.4	168.1	-63.9	-173.7	176.3	-172.8	0	107.7	V250 I251 S252 L253 L339	V250-K341 HydrophobicContact CG1-CD 4.03Å; V250-K341 HydrophobicContact CG1-CG 4.25Å; I251-K341 PolarHBondContact O-N 2.61Å; S252-K341 WeakPolarHBondContact CA-O 3.3Å; L253-K341 PolarHBondContact N-O 2.85Å; L339-K341 HydrophobicContact CD2-CG 4.41Å; L339-K341 HydrophobicContact CG-CG 4.2Å; L339-K341 PolarHBondContact O-N 2.83Å
342	V	95.9	Very high	94.1	Very high	8 Å²	8	50 Å²	50	5%	0.048	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.1	170.1	-173.7	0	0	0	0	107.6	L253 E255 V310 Y312 A315 N316 Y318	L253-V342 CarbonylContact O-C 3.5Å; L253-V342 VanDerWaalsContact O-CA 3.3Å; L253-V342 WeakPolarHBondContact O-CA 3.46Å; E255-V342 HydrophobicContact CB-CG1 3.66Å; V310-V342 HydrophobicContact CB-CG2 4.4Å; Y312-V342 HydrophobicContact CD2-CB 4.04Å; Y312-V342 HydrophobicContact CD2-CG1 4.05Å; A315-V342 VanDerWaalsContact O-CG2 3.27Å; A315-V342 WeakPolarHBondContact O-CG2 3.38Å; N316-V342 PolarHBondContact O-N 2.8Å; Y318-V342 HydrophobicContact CD2-CG2 4.09Å; Y318-V342 HydrophobicContact CE2-CG2 3.85Å
343	V	94.9	Very high	94.3	Very high	61 Å²	61	45.8 Å²	45.8	37%	0.37	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	174.9	-179.3	0	0	0	0	107.8	L253 P254 E255	L253-V343 PolarHBondContact O-N 3.43Å; P254-V343 WeakPolarHBondContact CA-O 3.35Å; E255-V343 PolarHBondContact N-O 3.31Å
344	D	95.4	Very high	94.3	Very high	29 Å²	29	44.5 Å²	44.5	16%	0.155	23%	0.23	C	C	.	.			trans	-38.5	127.1	164.5	176.1	-13.3	0	0	0	112.5	E255 Y312 S387 N390	E255-D344 WeakPolarHBondContact OE1-CA 3.3Å; Y312-D344 HydrophobicContact CD1-CB 4.05Å; Y312-D344 HydrophobicContact CD2-CB 4.06Å; Y312-D344 HydrophobicContact CE1-CB 4.07Å; Y312-D344 HydrophobicContact CE2-CB 4.08Å; Y312-D344 HydrophobicContact CG-CB 4.06Å; D344-S387 VanDerWaalsContact OD2-C 3.22Å; D344-S387 WeakPolarHBondContact OD2-CA 3.43Å; D344-S387 WeakPolarHBondContact OD2-CB 3.4Å; D344-S387 PolarHBondContact OD2-N 3.24Å; D344-S387 VanDerWaalsContact OD2-O 3.07Å; D344-N390 PolarHBondContact OD1-ND2 3.25Å
345	V	94.8	Very high	94.1	Very high	42 Å²	42	47.7 Å²	47.7	26%	0.255	24%	0.243	S	C	.	.			trans	-130	129.9	172	-178.8	0	0	0	0	109.4	P254 E255 D347	P254-V345 HydrophobicContact CB-CG2 4.12Å; E255-V345 PolarHBondContact OE1-N 2.91Å; V345-D347 WeakPolarHBondContact O-CB 3.43Å; V345-D347 PolarHBondContact O-N 2.86Å
346	N	94.9	Very high	94	Very high	18 Å²	18	44.6 Å²	44.6	10%	0.096	23%	0.229	C	C	.	.	S	Bend	trans	-53.7	99.8	179.2	-150.9	89.9	0	0	0	112.4	D386 N390 D437 G439 P441 L443	N346-D386 VanDerWaalsContact CA-OD2 3.24Å; N346-D386 WeakPolarHBondContact CA-OD2 3.21Å; N346-N390 HydrophobicContact CB-CB 4.07Å; N346-N390 PolarHBondContact N-ND2 3Å; N346-N390 VanDerWaalsContact N-ND2 3.13Å; N346-N390 WeakPolarHBondContact OD1-CA 3.25Å; N346-N390 WeakPolarHBondContact OD1-CB 3.49Å; N346-N390 PolarHBondContact OD1-O 3.46Å; N346-D437 PolarHBondContact ND2-OD2 2.84Å; N346-G439 WeakPolarHBondContact OD1-CA 3.06Å; N346-P441 PolarHBondContact ND2-O 2.93Å; N346-L443 WeakPolarHBondContact ND2-CD1 3.34Å; N346-L443 WeakPolarHBondContact ND2-CG 3.44Å
347	D	93.4	Very high	93.2	Very high	102 Å²	102	48.4 Å²	48.4	55%	0.545	25%	0.253	S	S	.	.			trans	-141.2	-37.1	-162.3	168.5	-71.8	0	0	0	110.5	V345 D386	V345-D347 WeakPolarHBondContact O-CB 3.43Å; V345-D347 PolarHBondContact O-N 2.86Å; D347-D386 PolarHBondContact N-OD2 2.84Å
348	N	93.6	Very high	91.9	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.23	25%	0.249	C	C	.	.	S	Bend	trans	-77.3	178.6	160	-61.8	-81.8	0	0	0	110.4	L385 D386 L443	N348-L385 HydrophobicContact CB-CB 4.14Å; N348-D386 WeakPolarHBondContact CB-OD1 3.23Å; N348-D386 PolarHBondContact N-OD1 3.24Å; N348-D386 PolarHBondContact N-OD2 2.95Å; N348-D386 PolarHBondContact ND2-OD1 3.26Å; N348-L443 WeakPolarHBondContact O-CD1 3.16Å
349	K	94.1	Very high	90	Very high	112 Å²	112	56.4 Å²	56.4	49%	0.487	30%	0.296	S	S	.	.			trans	-147.1	156.4	-179.5	69.7	-177.4	-175.7	65.8	0	108.7	D351 L443 T445	K349-D351 PolarHBondContact O-N 2.92Å; K349-D351 VanDerWaalsContact O-N 3.15Å; K349-L443 HydrophobicContact CB-CB 3.95Å; K349-T445 PolarHBondContact NZ-OG1 3.49Å
350	P	96	Very high	88.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.			trans	-61.3	123.5	-175.5	-25	32.8	0	0	0	110.7	V382 E383 D384 V393 A435 D437 T445	P350-V382 HydrophobicContact CB-CG1 3.76Å; P350-E383 CarbonylContact C-O 3.47Å; P350-D384 VanDerWaalsContact CA-OD2 3.29Å; P350-D384 WeakPolarHBondContact CA-OD2 3.1Å; P350-D384 WeakPolarHBondContact CD-OD2 3.11Å; P350-D384 VanDerWaalsContact CG-OD2 3.26Å; P350-D384 WeakPolarHBondContact CG-OD2 3.13Å; P350-V393 HydrophobicContact CB-CG1 3.96Å; P350-V393 HydrophobicContact CG-CB 4.47Å; P350-V393 HydrophobicContact CG-CG1 3.74Å; P350-A435 HydrophobicContact CB-CB 3.62Å; P350-A435 HydrophobicContact CG-CB 4.28Å; P350-D437 HydrophobicContact CG-CB 4.17Å; P350-T445 WeakPolarHBondContact O-CB 3.43Å; P350-T445 PolarHBondContact O-OG1 2.65Å
351	D	94.8	Very high	86.3	Confident	100 Å²	100	62.6 Å²	62.6	54%	0.535	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	150.2	164.9	-169.8	34.3	0	0	0	110.5	K349 V382 E383	K349-D351 PolarHBondContact O-N 2.92Å; K349-D351 VanDerWaalsContact O-N 3.15Å; D351-V382 VanDerWaalsContact O-CA 3.29Å; D351-V382 WeakPolarHBondContact O-CA 3.36Å; D351-V382 WeakPolarHBondContact O-CG1 3.46Å; D351-E383 PolarHBondContact N-O 2.87Å; D351-E383 PolarHBondContact O-N 2.98Å; D351-E383 VanDerWaalsContact O-N 3.09Å
352	I	94.2	Very high	84.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	97.3	-175.2	-52.3	-179	0	0	0	109.2	I354 V380 V433 A435 T445 K447	I352-I354 HydrophobicContact CG2-CD1 4.26Å; I352-I354 HydrophobicContact CG2-CG1 3.95Å; I352-V380 HydrophobicContact CG2-CG1 3.83Å; I352-V433 HydrophobicContact CD1-CB 4.41Å; I352-V433 HydrophobicContact CD1-CG1 4.07Å; I352-V433 HydrophobicContact CG2-CB 4.32Å; I352-V433 HydrophobicContact CG2-CG1 3.97Å; I352-A435 HydrophobicContact CD1-CB 3.71Å; I352-A435 HydrophobicContact CG1-CB 3.91Å; I352-T445 HydrophobicContact CD1-CG2 3.88Å; I352-T445 WeakPolarHBondContact CD1-O 3.5Å; I352-T445 HydrophobicContact CG1-CG2 3.96Å; I352-K447 HydrophobicContact CB-CB 4.2Å; I352-K447 HydrophobicContact CB-CD 4.03Å; I352-K447 HydrophobicContact CD1-CB 4.18Å; I352-K447 HydrophobicContact CG2-CB 4.21Å; I352-K447 HydrophobicContact CG2-CD 4.07Å; I352-K447 WeakPolarHBondContact O-CD 3.44Å; I352-K447 WeakPolarHBondContact O-CE 3.48Å; I352-K447 PolarHBondContact O-NZ 3.33Å
353	S	91.9	Very high	83.5	Confident	35 Å²	35	65.9 Å²	65.9	25%	0.245	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.9	165.1	68.4	0	0	0	0	110	V380 R381	S353-V380 WeakPolarHBondContact O-CA 3.4Å; S353-R381 PolarHBondContact N-O 3.13Å; S353-R381 PolarHBondContact O-N 2.88Å; S353-R381 VanDerWaalsContact OG-CB 3.31Å; S353-R381 WeakPolarHBondContact OG-CB 3.41Å; S353-R381 PolarHBondContact OG-O 3.48Å
354	I	90.9	Very high	83.1	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.082	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.4	177.6	-51	-177.6	0	0	0	107.3	I352 F356 A378 L379 V380 V433 K447 F449	I352-I354 HydrophobicContact CG2-CD1 4.26Å; I352-I354 HydrophobicContact CG2-CG1 3.95Å; I354-F356 HydrophobicContact CB-CZ 4.27Å; I354-F356 HydrophobicContact CG2-CD1 4.26Å; I354-F356 HydrophobicContact CG2-CE1 3.52Å; I354-F356 HydrophobicContact CG2-CE2 4.28Å; I354-F356 HydrophobicContact CG2-CZ 3.54Å; I354-A378 HydrophobicContact CG2-CB 4.02Å; I354-L379 CarbonylContact C-O 3.47Å; I354-L379 WeakPolarHBondContact CA-O 3.15Å; I354-V380 HydrophobicContact CG1-CG2 4.27Å; I354-V380 HydrophobicContact CG2-CG2 4.33Å; I354-V433 HydrophobicContact CD1-CG2 3.91Å; I354-K447 HydrophobicContact CD1-CB 4.47Å; I354-K447 HydrophobicContact CD1-CD 3.83Å; I354-K447 HydrophobicContact CD1-CG 3.93Å; I354-K447 HydrophobicContact CG1-CD 4.06Å; I354-F449 HydrophobicContact CD1-CD1 3.83Å; I354-F449 HydrophobicContact CD1-CE1 4.33Å; I354-F449 HydrophobicContact CD1-CG 4.45Å
355	N	89.4	Confident	82.8	Confident	90 Å²	90	62.2 Å²	62.2	48%	0.481	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125	-179	-64	-44.1	0	0	0	109.2	L379	N355-L379 HydrophobicContact CB-CB 4.45Å; N355-L379 PolarHBondContact N-O 2.69Å; N355-L379 PolarHBondContact O-N 3.49Å
356	F	88.1	Confident	82.6	Confident	38 Å²	38	65.5 Å²	65.5	17%	0.167	36%	0.363	C	S	.	.			trans	-100.5	143	-179.6	-57.1	-63	0	0	0	110.8	I354 S358 G362 A365 A378 F449	I354-F356 HydrophobicContact CB-CZ 4.27Å; I354-F356 HydrophobicContact CG2-CD1 4.26Å; I354-F356 HydrophobicContact CG2-CE1 3.52Å; I354-F356 HydrophobicContact CG2-CE2 4.28Å; I354-F356 HydrophobicContact CG2-CZ 3.54Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 2.81Å; F356-G362 WeakPolarHBondContact CE2-O 2.96Å; F356-A365 HydrophobicContact CD1-CB 3.59Å; F356-A365 HydrophobicContact CE1-CB 3.88Å; F356-A365 HydrophobicContact CG-CB 4.42Å; F356-A378 HydrophobicContact CD1-CB 3.74Å; F356-A378 HydrophobicContact CE1-CB 3.81Å; F356-F449 AromaticContact CE1-CD2 3.52Å; F356-F449 HydrophobicContact CE1-CD2 3.52Å; F356-F449 AromaticContact CE1-CE2 3.79Å; F356-F449 HydrophobicContact CE1-CE2 3.79Å; F356-F449 HydrophobicContact CE1-CG 4.19Å; F356-F449 HydrophobicContact CZ-CB 3.98Å; F356-F449 AromaticContact CZ-CD2 3.7Å; F356-F449 HydrophobicContact CZ-CD2 3.7Å; F356-F449 HydrophobicContact CZ-CE2 4.4Å; F356-F449 AromaticContact CZ-CG 3.98Å; F356-F449 HydrophobicContact CZ-CG 3.98Å
357	P	78.4	Confident	82.4	Confident	80 Å²	80	65 Å²	65	52%	0.519	36%	0.361	S	S	.	.	S	Bend	trans	-70.9	-25.2	178.2	27.6	-33	0	0	0	113	F376 V377	P357-F376 HydrophobicContact CB-CD1 4.34Å; P357-F376 HydrophobicContact CB-CE1 4.02Å; P357-F376 HydrophobicContact CG-CD1 4.12Å; P357-F376 HydrophobicContact CG-CE1 3.94Å; P357-V377 WeakPolarHBondContact CD-O 3.41Å
358	S	66.1	Low	82.4	Confident	37 Å²	37	61.2 Å²	61.2	26%	0.259	34%	0.342	S	S	.	.	S	Bend	trans	-86.8	132.6	177.9	51.5	0	0	0	0	111.7	F356 G360	F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 2.81Å; S358-G360 PolarHBondContact O-N 3.13Å
359	Q	56.4	Low	82.4	Confident	212 Å²	212	60 Å²	60	99%	0.991	34%	0.335	S	S	*	.			trans	-72.3	55.7	176.5	-64	-176.6	-3.9	0	0	113.4
360	G	57	Low	82.2	Confident	40 Å²	40	58.3 Å²	58.3	41%	0.412	34%	0.342	S	S	.	.	S	Bend	trans	-93.8	175.4	173.1	0	0	0	0	0	113	S358 G362	S358-G360 PolarHBondContact O-N 3.13Å; G360-G362 PolarHBondContact O-N 2.92Å
361	N	55.3	Low	82	Confident	150 Å²	150	59.4 Å²	59.4	80%	0.802	35%	0.349	S	S	*	.			trans	-59.2	133	162.5	-80.6	-8.5	0	0	0	108.9	D363	N361-D363 PolarHBondContact O-N 3.18Å
362	G	60.6	Low	81.8	Confident	55 Å²	55	59.1 Å²	59.1	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	31.9	-160.5	0	0	0	0	0	118.4	F356 G360	F356-G362 WeakPolarHBondContact CE2-O 2.96Å; G360-G362 PolarHBondContact O-N 2.92Å
363	D	72.9	Confident	81.6	Confident	124 Å²	124	64 Å²	64	66%	0.663	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-4.8	176.6	-63	-52.2	0	0	0	113.2	N361 T450	N361-D363 PolarHBondContact O-N 3.18Å; D363-T450 PolarHBondContact O-N 3.2Å
364	A	86	Confident	81.6	Confident	13 Å²	13	66.6 Å²	66.6	11%	0.107	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.1	-175.5	0	0	0	0	0	114.5	Y366 T450	A364-Y366 HydrophobicContact CB-CE2 4.33Å; A364-T450 CarbonylContact C-O 3.43Å; A364-T450 VanDerWaalsContact CA-O 3.25Å; A364-T450 WeakPolarHBondContact CA-O 2.95Å
365	A	89.8	Confident	81.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	153.3	169.5	0	0	0	0	0	111.2	F356 V377 F449 T450 V451 H452	F356-A365 HydrophobicContact CD1-CB 3.59Å; F356-A365 HydrophobicContact CE1-CB 3.88Å; F356-A365 HydrophobicContact CG-CB 4.42Å; A365-V377 HydrophobicContact CB-CG1 3.76Å; A365-F449 HydrophobicContact CB-CE2 4.42Å; A365-T450 PolarHBondContact N-O 3.47Å; A365-V451 HydrophobicContact CB-CG2 4.28Å; A365-V451 WeakPolarHBondContact O-CA 3.27Å; A365-H452 PolarHBondContact O-N 2.89Å
366	Y	89.9	Confident	81.9	Confident	110 Å²	110	67 Å²	67	43%	0.431	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.2	176	-64.7	-94.5	0	0	0	109.8	A364 H452 T454	A364-Y366 HydrophobicContact CB-CE2 4.33Å; Y366-H452 WeakPolarHBondContact CA-O 3.38Å; Y366-H452 HydrophobicContact CD1-CB 3.9Å; Y366-H452 HydrophobicContact CE1-CB 3.95Å; Y366-H452 AromaticContact CE1-CD2 3.88Å; Y366-H452 AromaticContact CZ-CD2 3.97Å; Y366-T454 HydrophobicContact CD1-CG2 3.97Å; Y366-T454 HydrophobicContact CG-CG2 4.49Å
367	V	92.4	Very high	82	Confident	8 Å²	8	65.3 Å²	65.3	5%	0.048	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	132.3	-178.7	60.9	0	0	0	0	110.5	S371 T375 T417 L421 V451 H452 V453 T454	V367-S371 WeakPolarHBondContact CG2-OG 3.47Å; V367-T375 HydrophobicContact CG2-CG2 4.49Å; V367-T417 HydrophobicContact CG2-CG2 4.36Å; V367-L421 HydrophobicContact CB-CD1 4.42Å; V367-L421 HydrophobicContact CG1-CD1 3.45Å; V367-L421 VanDerWaalsContact CG1-CD1 3.45Å; V367-L421 HydrophobicContact CG2-CD1 4.05Å; V367-V451 HydrophobicContact CG1-CG1 3.5Å; V367-V451 VanDerWaalsContact CG1-CG1 3.5Å; V367-H452 PolarHBondContact N-O 2.74Å; V367-H452 VanDerWaalsContact N-O 3.09Å; V367-V453 CarbonylContact O-C 3.58Å; V367-V453 VanDerWaalsContact O-CA 3.29Å; V367-V453 WeakPolarHBondContact O-CA 3.47Å; V367-T454 PolarHBondContact O-N 3.33Å; V367-T454 PolarHBondContact O-OG1 3.36Å
368	S	92.1	Very high	82.6	Confident	22 Å²	22	61.5 Å²	61.5	15%	0.154	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.8	176.4	161.5	0	0	0	0	111	A370 S371 T454 E456	S368-A370 VanDerWaalsContact C-N 3.31Å; S368-A370 PolarHBondContact OG-N 2.79Å; S368-S371 PolarHBondContact N-OG 2.89Å; S368-S371 WeakPolarHBondContact O-CB 3.44Å; S368-S371 PolarHBondContact O-N 2.75Å; S368-S371 VanDerWaalsContact O-N 3.11Å; S368-S371 PolarHBondContact O-OG 3.15Å; S368-T454 VanDerWaalsContact CA-OG1 3.23Å; S368-T454 WeakPolarHBondContact CA-OG1 3.46Å; S368-T454 PolarHBondContact N-OG1 3.4Å; S368-E456 WeakPolarHBondContact CB-OE1 3.35Å; S368-E456 VanDerWaalsContact OG-CD 3.3Å; S368-E456 WeakPolarHBondContact OG-CG 3.26Å; S368-E456 PolarHBondContact OG-OE1 3.44Å
369	E	93.9	Very high	83.9	Confident	19 Å²	19	62.3 Å²	62.3	9%	0.089	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.4	174.1	61.5	-155.7	123.5	0	0	114.1	S371 L421 R423 V453 T454 D455 E456	E369-S371 PolarHBondContact O-N 2.8Å; E369-S371 VanDerWaalsContact O-N 3.13Å; E369-L421 HydrophobicContact CB-CB 4.45Å; E369-R423 WeakPolarHBondContact OE1-CB 3.29Å; E369-R423 WeakPolarHBondContact OE2-CB 3.31Å; E369-R423 PolarHBondContact OE2-N 3.16Å; E369-V453 HydrophobicContact CB-CG1 3.72Å; E369-T454 PolarHBondContact N-O 2.59Å; E369-D455 VanDerWaalsContact OE1-CA 3.3Å; E369-D455 WeakPolarHBondContact OE1-CA 3.34Å; E369-E456 HydrophobicContact CG-CB 4.02Å; E369-E456 HydrophobicContact CG-CG 4.02Å; E369-E456 PolarHBondContact OE1-N 2.91Å
370	A	90.3	Very high	85.6	Confident	76 Å²	76	52.2 Å²	52.2	63%	0.628	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-1.9	170.3	0	0	0	0	0	113.3	S368 E456	S368-A370 VanDerWaalsContact C-N 3.31Å; S368-A370 PolarHBondContact OG-N 2.79Å; A370-E456 HydrophobicContact CB-CG 3.87Å
371	S	91.3	Very high	87.3	Confident	22 Å²	22	55.5 Å²	55.5	15%	0.154	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-62.3	131	175.5	-60.2	0	0	0	0	111.1	V367 S368 E369	V367-S371 WeakPolarHBondContact CG2-OG 3.47Å; S368-S371 PolarHBondContact N-OG 2.89Å; S368-S371 WeakPolarHBondContact O-CB 3.44Å; S368-S371 PolarHBondContact O-N 2.75Å; S368-S371 VanDerWaalsContact O-N 3.11Å; S368-S371 PolarHBondContact O-OG 3.15Å; E369-S371 PolarHBondContact O-N 2.8Å; E369-S371 VanDerWaalsContact O-N 3.13Å
372	P	91.1	Very high	89.2	Confident	94 Å²	94	48.4 Å²	48.4	61%	0.61	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-65.9	171.5	176.2	28.6	-34.9	0	0	0	112.1	T375 T417	P372-T375 WeakPolarHBondContact CD-OG1 3.26Å; P372-T375 WeakPolarHBondContact O-CB 3.33Å; P372-T375 PolarHBondContact O-OG1 3.42Å; P372-T417 PolarHBondContact O-OG1 3.24Å
373	L	90.7	Very high	90.7	Very high	104 Å²	104	50.5 Å²	50.5	55%	0.545	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	150.7	164.6	-55.4	-179.5	0	0	0	110.9	T375 V419	L373-T375 PolarHBondContact O-N 2.8Å; L373-V419 VanDerWaalsContact CD2-C 3.42Å
374	D	91.8	Very high	91.8	Very high	88 Å²	88	45.8 Å²	45.8	47%	0.471	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	20.6	-178.9	-64.8	23.3	0	0	0	114.1	K404 T417	D374-K404 WeakPolarHBondContact OD1-CE 3.33Å; D374-K404 IonicContact OD1-NZ 3.96Å; D374-K404 PolarHBondContact OD1-NZ 3.34Å; D374-K404 IonicContact OD2-NZ 3.46Å; D374-K404 PolarHBondContact OD2-NZ 2.86Å; D374-T417 WeakPolarHBondContact CA-O 3.45Å; D374-T417 PolarHBondContact N-O 3.44Å; D374-T417 PolarHBondContact N-OG1 2.73Å
375	T	92.7	Very high	92.1	Very high	33 Å²	33	50.6 Å²	50.6	20%	0.202	27%	0.267	C	S	.	.			trans	-68.9	135.3	171.5	-61.9	0	0	0	0	111.1	V367 P372 L373 L416 T417	V367-T375 HydrophobicContact CG2-CG2 4.49Å; P372-T375 WeakPolarHBondContact CD-OG1 3.26Å; P372-T375 WeakPolarHBondContact O-CB 3.33Å; P372-T375 PolarHBondContact O-OG1 3.42Å; L373-T375 PolarHBondContact O-N 2.8Å; T375-L416 CarbonylContact O-C 3.41Å; T375-L416 VanDerWaalsContact O-CA 3.26Å; T375-L416 WeakPolarHBondContact O-CA 3.41Å; T375-T417 PolarHBondContact N-OG1 2.87Å; T375-T417 PolarHBondContact O-N 2.61Å
376	F	92.4	Very high	92.4	Very high	83 Å²	83	51 Å²	51	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.7	178.6	174.5	-97.9	0	0	0	112.9	P357 A378 L379 M414 L416	P357-F376 HydrophobicContact CB-CD1 4.34Å; P357-F376 HydrophobicContact CB-CE1 4.02Å; P357-F376 HydrophobicContact CG-CD1 4.12Å; P357-F376 HydrophobicContact CG-CE1 3.94Å; F376-A378 VanDerWaalsContact CE2-O 3.32Å; F376-A378 WeakPolarHBondContact CE2-O 3.47Å; F376-A378 VanDerWaalsContact CZ-C 3.41Å; F376-L379 HydrophobicContact CE2-CB 4.09Å; F376-L379 HydrophobicContact CZ-CB 3.85Å; F376-M414 HydrophobicContact CD2-CB 4.24Å; F376-M414 HydrophobicContact CD2-CG 4.24Å; F376-M414 HydrophobicContact CD2-SD 4.19Å; F376-M414 HydrophobicContact CE2-CB 4.32Å; F376-M414 HydrophobicContact CE2-CG 4.1Å; F376-M414 HydrophobicContact CE2-SD 4.42Å; F376-L416 HydrophobicContact CB-CD2 4.16Å; F376-L416 HydrophobicContact CD2-CD2 4.32Å
377	V	91.6	Very high	92.5	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-42.6	-177.5	-175.9	0	0	0	0	112.2	P357 A365 F403 I415 T417 V451	P357-V377 WeakPolarHBondContact CD-O 3.41Å; A365-V377 HydrophobicContact CB-CG1 3.76Å; V377-F403 HydrophobicContact CG2-CD1 4.14Å; V377-F403 HydrophobicContact CG2-CE1 4.03Å; V377-I415 HydrophobicContact CB-CG2 4.34Å; V377-I415 PolarHBondContact N-O 3.07Å; V377-T417 HydrophobicContact CG2-CG2 4.05Å; V377-V451 HydrophobicContact CG1-CG1 4.04Å; V377-V451 HydrophobicContact CG1-CG2 3.91Å
378	A	91.2	Very high	92.4	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	150.9	-180	0	0	0	0	0	111.9	I354 F356 F376 I415	I354-A378 HydrophobicContact CG2-CB 4.02Å; F356-A378 HydrophobicContact CD1-CB 3.74Å; F356-A378 HydrophobicContact CE1-CB 3.81Å; F376-A378 VanDerWaalsContact CE2-O 3.32Å; F376-A378 WeakPolarHBondContact CE2-O 3.47Å; F376-A378 VanDerWaalsContact CZ-C 3.41Å; A378-I415 HydrophobicContact CB-CB 4.44Å; A378-I415 PolarHBondContact O-N 2.97Å
379	L	91.8	Very high	92.4	Very high	54 Å²	54	55.1 Å²	55.1	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.9	166.8	176.2	66.4	0	0	0	108.8	I354 N355 F376 N412 M414	I354-L379 CarbonylContact C-O 3.47Å; I354-L379 WeakPolarHBondContact CA-O 3.15Å; N355-L379 HydrophobicContact CB-CB 4.45Å; N355-L379 PolarHBondContact N-O 2.69Å; N355-L379 PolarHBondContact O-N 3.49Å; F376-L379 HydrophobicContact CE2-CB 4.09Å; F376-L379 HydrophobicContact CZ-CB 3.85Å; L379-N412 HydrophobicContact CD1-CB 4.41Å; L379-M414 HydrophobicContact CD1-CG 4.39Å
380	V	92.8	Very high	92.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126	171.9	179.1	0	0	0	0	108.1	I352 S353 I354 V382 Y413 I415 V433	I352-V380 HydrophobicContact CG2-CG1 3.83Å; S353-V380 WeakPolarHBondContact O-CA 3.4Å; I354-V380 HydrophobicContact CG1-CG2 4.27Å; I354-V380 HydrophobicContact CG2-CG2 4.33Å; V380-V382 HydrophobicContact CG1-CG2 4Å; V380-Y413 PolarHBondContact N-O 3.33Å; V380-Y413 PolarHBondContact O-N 3.45Å; V380-I415 HydrophobicContact CG2-CD1 3.65Å; V380-I415 HydrophobicContact CG2-CG1 4.06Å; V380-V433 HydrophobicContact CG1-CG1 3.94Å; V380-V433 HydrophobicContact CG2-CG2 4.14Å
381	R	93.3	Very high	92.4	Very high	110 Å²	110	52.7 Å²	52.7	42%	0.415	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.4	171.8	165.5	177.7	-178.8	158.8	-0.4	108.1	S353 E383 N412	S353-R381 PolarHBondContact N-O 3.13Å; S353-R381 PolarHBondContact O-N 2.88Å; S353-R381 VanDerWaalsContact OG-CB 3.31Å; S353-R381 WeakPolarHBondContact OG-CB 3.41Å; S353-R381 PolarHBondContact OG-O 3.48Å; R381-E383 HydrophobicContact CG-CG 4.08Å; R381-E383 IonicContact CZ-OE1 3.27Å; R381-E383 IonicContact NE-OE1 2.84Å; R381-E383 PolarHBondContact NE-OE1 3.09Å; R381-E383 IonicContact NE-OE2 3.86Å; R381-E383 IonicContact NH2-OE1 2.73Å; R381-E383 PolarHBondContact NH2-OE1 3.05Å; R381-N412 WeakPolarHBondContact CB-OD1 3.43Å; R381-N412 WeakPolarHBondContact CG-OD1 3.07Å
382	V	94.3	Very high	92.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.5	179	-173.6	0	0	0	0	108	P350 D351 V380 V393 C395 N411 Y413 A435	P350-V382 HydrophobicContact CB-CG1 3.76Å; D351-V382 VanDerWaalsContact O-CA 3.29Å; D351-V382 WeakPolarHBondContact O-CA 3.36Å; D351-V382 WeakPolarHBondContact O-CG1 3.46Å; V380-V382 HydrophobicContact CG1-CG2 4Å; V382-V393 HydrophobicContact CB-CG2 3.98Å; V382-V393 HydrophobicContact CG1-CB 4Å; V382-V393 HydrophobicContact CG1-CG1 4.22Å; V382-V393 HydrophobicContact CG1-CG2 3.6Å; V382-C395 HydrophobicContact CG2-CB 4.15Å; V382-N411 HydrophobicContact CB-CB 4.48Å; V382-N411 PolarHBondContact N-O 3.34Å; V382-N411 WeakPolarHBondContact O-CB 3.24Å; V382-Y413 HydrophobicContact CG2-CD2 4.26Å; V382-Y413 HydrophobicContact CG2-CE2 4.1Å; V382-A435 HydrophobicContact CG1-CB 3.57Å; V382-A435 HydrophobicContact CG2-CB 4.18Å
383	E	92.7	Very high	92.5	Very high	98 Å²	98	51 Å²	51	46%	0.458	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.7	176.6	-61.2	-168	137.4	0	0	109.2	P350 D351 R381	P350-E383 CarbonylContact C-O 3.47Å; D351-E383 PolarHBondContact N-O 2.87Å; D351-E383 PolarHBondContact O-N 2.98Å; D351-E383 VanDerWaalsContact O-N 3.09Å; R381-E383 HydrophobicContact CG-CG 4.08Å; R381-E383 IonicContact CZ-OE1 3.27Å; R381-E383 IonicContact NE-OE1 2.84Å; R381-E383 PolarHBondContact NE-OE1 3.09Å; R381-E383 IonicContact NE-OE2 3.86Å; R381-E383 IonicContact NH2-OE1 2.73Å; R381-E383 PolarHBondContact NH2-OE1 3.05Å
384	D	95.3	Very high	92.6	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.134	27%	0.269	C	S	.	.			trans	-122.9	155.6	166.9	-142	-45.2	0	0	0	108.4	P350 V393	P350-D384 VanDerWaalsContact CA-OD2 3.29Å; P350-D384 WeakPolarHBondContact CA-OD2 3.1Å; P350-D384 WeakPolarHBondContact CD-OD2 3.11Å; P350-D384 VanDerWaalsContact CG-OD2 3.26Å; P350-D384 WeakPolarHBondContact CG-OD2 3.13Å; D384-V393 HydrophobicContact CB-CG1 3.92Å
385	L	93.6	Very high	92.6	Very high	115 Å²	115	46 Å²	46	60%	0.602	25%	0.251	S	S	*	.	S	Bend	trans	-95.5	-29.1	-179.2	-58.9	-178.5	0	0	0	111.6	E313 N348	E313-L385 HydrophobicContact CG-CB 3.92Å; N348-L385 HydrophobicContact CB-CB 4.14Å
386	D	95.1	Very high	92.6	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.043	26%	0.257	C	S	.	.	S	Bend	trans	-65.7	165.4	176.9	-60.2	-6.3	0	0	0	110.9	N346 D347 N348 N390 G391	N346-D386 VanDerWaalsContact CA-OD2 3.24Å; N346-D386 WeakPolarHBondContact CA-OD2 3.21Å; D347-D386 PolarHBondContact N-OD2 2.84Å; N348-D386 WeakPolarHBondContact CB-OD1 3.23Å; N348-D386 PolarHBondContact N-OD1 3.24Å; N348-D386 PolarHBondContact N-OD2 2.95Å; N348-D386 PolarHBondContact ND2-OD1 3.26Å; D386-N390 HydrophobicContact CB-CB 3.61Å; D386-G391 WeakPolarHBondContact O-CA 3.39Å
387	S	91.9	Very high	92.6	Very high	48 Å²	48	45.9 Å²	45.9	34%	0.336	25%	0.249	S	C	.	.			trans	-117.7	172.7	-172.1	-76.9	0	0	0	0	113.8	D344 L389 N390 G391	D344-S387 VanDerWaalsContact OD2-C 3.22Å; D344-S387 WeakPolarHBondContact OD2-CA 3.43Å; D344-S387 WeakPolarHBondContact OD2-CB 3.4Å; D344-S387 PolarHBondContact OD2-N 3.24Å; D344-S387 VanDerWaalsContact OD2-O 3.07Å; S387-L389 PolarHBondContact O-N 2.94Å; S387-L389 VanDerWaalsContact O-N 3.11Å; S387-N390 WeakPolarHBondContact O-CB 3.26Å; S387-N390 PolarHBondContact O-N 2.93Å; S387-G391 PolarHBondContact O-N 3.1Å; S387-G391 VanDerWaalsContact O-N 3.13Å
388	G	90.9	Very high	92.4	Very high	69 Å²	69	52.8 Å²	52.8	71%	0.711	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-114.6	176.2	0	0	0	0	0	113.5
389	L	91.9	Very high	91.5	Very high	110 Å²	110	54.5 Å²	54.5	58%	0.576	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-26.9	175.3	-68.8	174.7	0	0	0	112.5	S387 G391 E392 R438	S387-L389 PolarHBondContact O-N 2.94Å; S387-L389 VanDerWaalsContact O-N 3.11Å; L389-G391 VanDerWaalsContact C-N 3.33Å; L389-E392 PolarHBondContact O-N 2.82Å; L389-R438 CarbonylContact O-C 3.54Å; L389-R438 VanDerWaalsContact O-C 3.28Å; L389-R438 WeakPolarHBondContact O-CA 3.28Å; L389-R438 WeakPolarHBondContact O-CB 3.33Å; L389-R438 PolarHBondContact O-N 2.86Å
390	N	92.3	Very high	90.2	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.144	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-43.2	177.2	-60.9	-8.8	0	0	0	108.7	D344 N346 D386 S387 E392 D437 G439	D344-N390 PolarHBondContact OD1-ND2 3.25Å; N346-N390 HydrophobicContact CB-CB 4.07Å; N346-N390 PolarHBondContact N-ND2 3Å; N346-N390 VanDerWaalsContact N-ND2 3.13Å; N346-N390 WeakPolarHBondContact OD1-CA 3.25Å; N346-N390 WeakPolarHBondContact OD1-CB 3.49Å; N346-N390 PolarHBondContact OD1-O 3.46Å; D386-N390 HydrophobicContact CB-CB 3.61Å; S387-N390 WeakPolarHBondContact O-CB 3.26Å; S387-N390 PolarHBondContact O-N 2.93Å; N390-E392 VanDerWaalsContact C-N 3.35Å; N390-E392 PolarHBondContact O-N 3.11Å; N390-D437 WeakPolarHBondContact O-CB 3.45Å; N390-G439 WeakPolarHBondContact OD1-CA 3.22Å
391	G	91	Very high	89.7	Confident	16 Å²	16	59.3 Å²	59.3	17%	0.165	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.5	170.6	0	0	0	0	0	117.7	D386 S387 L389 V393	D386-G391 WeakPolarHBondContact O-CA 3.39Å; S387-G391 PolarHBondContact O-N 3.1Å; S387-G391 VanDerWaalsContact O-N 3.13Å; L389-G391 VanDerWaalsContact C-N 3.33Å; G391-V393 PolarHBondContact O-N 3.43Å
392	E	92.4	Very high	89.5	Confident	77 Å²	77	58.3 Å²	58.3	36%	0.36	33%	0.33	S	S	.	.			trans	-89.8	92.1	-175.8	-159.2	-158.5	170.4	0	0	112.8	L389 N390 R438	L389-E392 PolarHBondContact O-N 2.82Å; N390-E392 VanDerWaalsContact C-N 3.35Å; N390-E392 PolarHBondContact O-N 3.11Å; E392-R438 HydrophobicContact CB-CB 4.48Å; E392-R438 WeakPolarHBondContact O-CG 3.36Å; E392-R438 PolarHBondContact O-N 2.82Å; E392-R438 IonicContact OE1-CZ 3.88Å; E392-R438 IonicContact OE1-NH1 2.89Å; E392-R438 PolarHBondContact OE1-NH1 2.94Å; E392-R438 WeakPolarHBondContact OE2-CD 3.42Å; E392-R438 IonicContact OE2-CZ 3.57Å; E392-R438 IonicContact OE2-NE 2.68Å; E392-R438 IonicContact OE2-NH1 3.47Å; E392-R438 PolarHBondContact OE2-NH1 2.87Å
393	V	93.1	Very high	89.4	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	33%	0.332	C	S	.	.			trans	-86.6	134.2	-173.3	-51.2	0	0	0	0	115.3	P350 V382 D384 G391 N411 Y413	P350-V393 HydrophobicContact CB-CG1 3.96Å; P350-V393 HydrophobicContact CG-CB 4.47Å; P350-V393 HydrophobicContact CG-CG1 3.74Å; V382-V393 HydrophobicContact CB-CG2 3.98Å; V382-V393 HydrophobicContact CG1-CB 4Å; V382-V393 HydrophobicContact CG1-CG1 4.22Å; V382-V393 HydrophobicContact CG1-CG2 3.6Å; D384-V393 HydrophobicContact CB-CG1 3.92Å; G391-V393 PolarHBondContact O-N 3.43Å; V393-N411 HydrophobicContact CG2-CB 3.92Å; V393-N411 VanDerWaalsContact CG2-CG 3.45Å; V393-N411 WeakPolarHBondContact CG2-ND2 3.32Å; V393-Y413 PolarHBondContact O-OH 3.03Å
394	E	91.8	Very high	89.4	Confident	75 Å²	75	56.8 Å²	56.8	35%	0.35	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	100.2	175.1	-169.5	175.6	108.3	0	0	111.4	K396 E436 R438	E394-K396 WeakPolarHBondContact OE1-CE 3.25Å; E394-K396 IonicContact OE1-NZ 3.56Å; E394-K396 PolarHBondContact OE1-NZ 3.06Å; E394-E436 PolarHBondContact N-O 3.12Å; E394-E436 PolarHBondContact O-N 3.36Å; E394-R438 IonicContact OE2-CZ 3.05Å; E394-R438 IonicContact OE2-NE 2.65Å; E394-R438 IonicContact OE2-NH2 3.6Å; E394-R438 PolarHBondContact OE2-NH2 2.82Å
395	C	92.8	Very high	89.3	Confident	14 Å²	14	57.8 Å²	57.8	10%	0.095	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.5	-178.6	-167.4	0	0	0	0	112.5	V382 L405 Y413 V433 V434	V382-C395 HydrophobicContact CG2-CB 4.15Å; C395-L405 HydrophobicContact CB-CD2 4.19Å; C395-L405 WeakPolarHBondContact O-CD2 2.73Å; C395-Y413 HydrophobicContact CB-CD1 4.05Å; C395-Y413 HydrophobicContact CB-CD2 3.89Å; C395-Y413 HydrophobicContact CB-CE1 3.64Å; C395-Y413 HydrophobicContact CB-CE2 3.47Å; C395-Y413 VanDerWaalsContact CB-CE2 3.47Å; C395-Y413 HydrophobicContact CB-CG 4.18Å; C395-Y413 PolarHBondContact N-OH 3.27Å; C395-V433 WeakPolarHBondContact SG-CG1 3.34Å; C395-V434 CarbonylContact C-O 3.48Å; C395-V434 WeakPolarHBondContact CA-O 3.34Å
396	K	92.2	Very high	89.2	Confident	76 Å²	76	56.4 Å²	56.4	33%	0.33	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.5	-175.7	-59.2	175.4	178.3	83.8	0	109.3	E394 V434 E436	E394-K396 WeakPolarHBondContact OE1-CE 3.25Å; E394-K396 IonicContact OE1-NZ 3.56Å; E394-K396 PolarHBondContact OE1-NZ 3.06Å; K396-V434 PolarHBondContact N-O 3.34Å; K396-V434 PolarHBondContact O-N 2.86Å; K396-E436 IonicContact NZ-OE2 2.67Å; K396-E436 PolarHBondContact NZ-OE2 3.35Å
397	L	93.2	Very high	89	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.188	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.1	175	-178.3	66.1	0	0	0	110	F403 L405 I415 L431 V433	L397-F403 HydrophobicContact CD2-CB 4.17Å; L397-L405 HydrophobicContact CB-CB 3.81Å; L397-L405 HydrophobicContact CB-CD1 4.46Å; L397-L405 HydrophobicContact CB-CD2 4.22Å; L397-L405 HydrophobicContact CB-CG 4.4Å; L397-L405 HydrophobicContact CD2-CB 4.33Å; L397-I415 HydrophobicContact CD1-CD1 3.89Å; L397-I415 HydrophobicContact CD2-CD1 4.45Å; L397-I415 HydrophobicContact CD2-CG1 4.37Å; L397-I415 HydrophobicContact CD2-CG2 4.19Å; L397-L431 HydrophobicContact CD1-CB 4.33Å; L397-V433 HydrophobicContact CD1-CG2 4.3Å
398	H	87.3	Confident	88.7	Confident	146 Å²	146	61.3 Å²	61.3	68%	0.676	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	101.6	172.7	-140.2	84.5	0	0	0	109.6	T432	H398-T432 WeakPolarHBondContact CA-O 3.45Å; H398-T432 PolarHBondContact N-O 3.47Å; H398-T432 WeakPolarHBondContact O-CA 3.49Å; H398-T432 VanDerWaalsContact O-CB 3.31Å; H398-T432 WeakPolarHBondContact O-CB 3.35Å; H398-T432 PolarHBondContact O-N 2.87Å
399	G	70.9	Confident	88.3	Confident	37 Å²	37	65.4 Å²	65.4	38%	0.381	33%	0.332	S	S	.	.	S	Bend	trans	-171.8	163.3	-175.9	0	0	0	0	0	109
400	Q	66.3	Low	87.8	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.481	34%	0.337	S	S	.	.			trans	-69	143.3	-177.6	-60.9	-176	6.5	0	0	110.1	Y402 F403	Q400-Y402 HydrophobicContact CB-CD2 3.91Å; Q400-Y402 HydrophobicContact CB-CE2 4.28Å; Q400-Y402 PolarHBondContact O-N 3.18Å; Q400-F403 PolarHBondContact O-N 2.88Å
401	G	80.4	Confident	87.5	Confident	51 Å²	51	68 Å²	68	53%	0.526	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	16.3	-166	0	0	0	0	0	117.9	N418	G401-N418 PolarHBondContact O-ND2 2.84Å
402	Y	89.8	Confident	87.5	Confident	89 Å²	89	67.7 Å²	67.7	35%	0.349	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20	163.9	-63.8	-94.2	0	0	0	112.5	Q400 N418 V419 L421 F429	Q400-Y402 HydrophobicContact CB-CD2 3.91Å; Q400-Y402 HydrophobicContact CB-CE2 4.28Å; Q400-Y402 PolarHBondContact O-N 3.18Å; Y402-N418 PolarHBondContact O-N 2.79Å; Y402-V419 HydrophobicContact CD1-CB 4.01Å; Y402-V419 HydrophobicContact CD1-CG1 4.27Å; Y402-V419 HydrophobicContact CE1-CG1 4.47Å; Y402-V419 PolarHBondContact O-N 2.86Å; Y402-L421 HydrophobicContact CD1-CD2 4.24Å; Y402-F429 HydrophobicContact CD1-CE1 4.19Å; Y402-F429 HydrophobicContact CD1-CZ 4.14Å; Y402-F429 HydrophobicContact CD2-CD1 4.32Å; Y402-F429 AromaticContact CD2-CE1 3.53Å; Y402-F429 HydrophobicContact CD2-CE1 3.53Å; Y402-F429 HydrophobicContact CD2-CZ 4.29Å; Y402-F429 HydrophobicContact CE1-CE1 4.5Å; Y402-F429 HydrophobicContact CE1-CZ 4.42Å; Y402-F429 AromaticContact CE2-CE1 3.89Å; Y402-F429 HydrophobicContact CE2-CE1 3.89Å; Y402-F429 AromaticContact CG-CE1 3.69Å; Y402-F429 HydrophobicContact CG-CE1 3.69Å; Y402-F429 HydrophobicContact CG-CZ 4.07Å
403	F	93.2	Very high	87.5	Confident	12 Å²	12	64.5 Å²	64.5	5%	0.053	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.8	178.1	-55.2	-86.7	0	0	0	111.1	V377 L397 Q400 I415 L416 T417 L421 F429 L431 V451	V377-F403 HydrophobicContact CG2-CD1 4.14Å; V377-F403 HydrophobicContact CG2-CE1 4.03Å; L397-F403 HydrophobicContact CD2-CB 4.17Å; Q400-F403 PolarHBondContact O-N 2.88Å; F403-I415 HydrophobicContact CB-CG2 4.21Å; F403-I415 HydrophobicContact CD1-CG2 4.39Å; F403-L416 CarbonylContact C-O 3.49Å; F403-L416 VanDerWaalsContact CA-O 3.29Å; F403-L416 WeakPolarHBondContact CA-O 3.07Å; F403-T417 HydrophobicContact CE1-CG2 4.27Å; F403-L421 HydrophobicContact CE1-CD1 4.33Å; F403-L421 HydrophobicContact CZ-CD1 4.24Å; F403-L421 HydrophobicContact CZ-CD2 4.08Å; F403-F429 HydrophobicContact CE2-CB 3.79Å; F403-F429 AromaticContact CE2-CD1 3.92Å; F403-F429 HydrophobicContact CE2-CD1 3.92Å; F403-F429 AromaticContact CE2-CD2 3.99Å; F403-F429 HydrophobicContact CE2-CD2 3.99Å; F403-F429 HydrophobicContact CE2-CE1 4.47Å; F403-F429 AromaticContact CE2-CG 3.65Å; F403-F429 HydrophobicContact CE2-CG 3.65Å; F403-F429 HydrophobicContact CZ-CB 4.4Å; F403-F429 HydrophobicContact CZ-CD2 4.14Å; F403-F429 HydrophobicContact CZ-CG 4.23Å; F403-L431 HydrophobicContact CB-CD1 4.32Å; F403-L431 HydrophobicContact CD1-CD1 4.39Å; F403-L431 HydrophobicContact CD2-CD1 3.88Å; F403-L431 HydrophobicContact CD2-CD2 3.83Å; F403-L431 HydrophobicContact CD2-CG 4.41Å; F403-L431 HydrophobicContact CE2-CD1 4.31Å; F403-L431 HydrophobicContact CE2-CD2 4.35Å; F403-L431 HydrophobicContact CG-CD1 3.92Å; F403-V451 HydrophobicContact CE1-CG1 4.14Å; F403-V451 HydrophobicContact CE1-CG2 4.47Å; F403-V451 HydrophobicContact CZ-CB 4.21Å; F403-V451 HydrophobicContact CZ-CG1 3.91Å; F403-V451 HydrophobicContact CZ-CG2 4.35Å
404	K	91.8	Very high	87.5	Confident	55 Å²	55	66.9 Å²	66.9	24%	0.239	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.3	174.1	67	-173.6	-171.6	-171.6	0	110.9	D374 I415 L416 N418	D374-K404 WeakPolarHBondContact OD1-CE 3.33Å; D374-K404 IonicContact OD1-NZ 3.96Å; D374-K404 PolarHBondContact OD1-NZ 3.34Å; D374-K404 IonicContact OD2-NZ 3.46Å; D374-K404 PolarHBondContact OD2-NZ 2.86Å; K404-I415 WeakPolarHBondContact O-CA 3.08Å; K404-L416 HydrophobicContact CG-CB 3.98Å; K404-L416 PolarHBondContact N-O 2.88Å; K404-L416 PolarHBondContact O-N 2.71Å; K404-N418 HydrophobicContact CB-CB 4.06Å; K404-N418 HydrophobicContact CD-CB 4.21Å; K404-N418 HydrophobicContact CG-CB 4.17Å
405	L	92.9	Very high	87.6	Confident	46 Å²	46	63.3 Å²	63.3	24%	0.241	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.6	172.6	-168.2	71.6	0	0	0	109.1	C395 L397 Y413 I415	C395-L405 HydrophobicContact CB-CD2 4.19Å; C395-L405 WeakPolarHBondContact O-CD2 2.73Å; L397-L405 HydrophobicContact CB-CB 3.81Å; L397-L405 HydrophobicContact CB-CD1 4.46Å; L397-L405 HydrophobicContact CB-CD2 4.22Å; L397-L405 HydrophobicContact CB-CG 4.4Å; L397-L405 HydrophobicContact CD2-CB 4.33Å; L405-Y413 HydrophobicContact CD1-CG 4.47Å; L405-Y413 HydrophobicContact CD2-CD1 3.95Å; L405-Y413 HydrophobicContact CD2-CG 4.41Å; L405-Y413 HydrophobicContact CG-CD1 4.1Å; L405-Y413 HydrophobicContact CG-CG 4.43Å; L405-I415 HydrophobicContact CD1-CD1 4.37Å; L405-I415 HydrophobicContact CD1-CG1 3.65Å
406	Q	91.6	Very high	87.5	Confident	86 Å²	86	63.1 Å²	63.1	40%	0.402	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111.7	178.1	-179.7	169.1	-22.9	0	0	110	Y413 M414 L416	Q406-Y413 CarbonylContact O-C 3.57Å; Q406-Y413 WeakPolarHBondContact O-CA 3.29Å; Q406-M414 PolarHBondContact N-O 2.73Å; Q406-M414 PolarHBondContact O-N 3.06Å; Q406-L416 HydrophobicContact CB-CD1 4.31Å
407	K	90.4	Very high	87.6	Confident	101 Å²	101	59.5 Å²	59.5	44%	0.439	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	134.3	171.5	-163.9	166	-171.4	158	0	109.1	E410 N411 Y413	K407-E410 WeakPolarHBondContact CE-O 3.48Å; K407-E410 PolarHBondContact NZ-O 3.33Å; K407-N411 PolarHBondContact NZ-OD1 2.66Å; K407-Y413 HydrophobicContact CB-CD1 3.63Å; K407-Y413 HydrophobicContact CB-CE1 3.67Å; K407-Y413 HydrophobicContact CD-CD1 4.32Å; K407-Y413 HydrophobicContact CD-CE1 3.52Å; K407-Y413 WeakPolarHBondContact CE-OH 3.47Å; K407-Y413 HydrophobicContact CG-CD1 3.82Å; K407-Y413 HydrophobicContact CG-CE1 3.54Å; K407-Y413 HydrophobicContact CG-CG 4.5Å; K407-Y413 PolarHBondContact NZ-OH 2.65Å
408	T	86.5	Confident	87.6	Confident	58 Å²	58	61.4 Å²	61.4	36%	0.356	31%	0.309	S	S	.	.			trans	-103.7	-74.5	-179.4	47.9	0	0	0	0	111.2	N412 M414	T408-N412 PolarHBondContact N-O 3.45Å; T408-N412 PolarHBondContact OG1-O 3.1Å; T408-M414 HydrophobicContact CG2-CE 3.64Å; T408-M414 HydrophobicContact CG2-CG 3.72Å; T408-M414 HydrophobicContact CG2-SD 3.87Å
409	Y	81.7	Confident	87.7	Confident	156 Å²	156	57.2 Å²	57.2	61%	0.612	29%	0.293	S	S	*	.	S	Bend	trans	-147.6	152.1	176.3	56.7	-94	0	0	0	109.1	N411 N412	Y409-N411 PolarHBondContact O-N 2.9Å; Y409-N412 WeakPolarHBondContact O-CB 3.11Å; Y409-N412 PolarHBondContact O-N 2.79Å; Y409-N412 VanDerWaalsContact O-N 3.1Å; Y409-N412 PolarHBondContact O-ND2 3.31Å
410	E	81.8	Confident	88.7	Confident	145 Å²	145	59.3 Å²	59.3	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-135.2	-175	-57.1	167.1	154.8	0	0	110.2	K407 N412	K407-E410 WeakPolarHBondContact CE-O 3.48Å; K407-E410 PolarHBondContact NZ-O 3.33Å; E410-N412 VanDerWaalsContact C-N 3.35Å
411	N	85.9	Confident	90	Very high	45 Å²	45	55 Å²	55	24%	0.241	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	30.7	176.8	-66.4	-28	0	0	0	113	V382 V393 K407 Y409 Y413	V382-N411 HydrophobicContact CB-CB 4.48Å; V382-N411 PolarHBondContact N-O 3.34Å; V382-N411 WeakPolarHBondContact O-CB 3.24Å; V393-N411 HydrophobicContact CG2-CB 3.92Å; V393-N411 VanDerWaalsContact CG2-CG 3.45Å; V393-N411 WeakPolarHBondContact CG2-ND2 3.32Å; K407-N411 PolarHBondContact NZ-OD1 2.66Å; Y409-N411 PolarHBondContact O-N 2.9Å; N411-Y413 VanDerWaalsContact O-CD2 3.26Å; N411-Y413 WeakPolarHBondContact O-CD2 3.08Å; N411-Y413 VanDerWaalsContact O-CE2 3.25Å; N411-Y413 WeakPolarHBondContact O-CE2 3.43Å
412	N	91.9	Very high	90.6	Very high	10 Å²	10	55 Å²	55	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139	174	-55.1	-79.4	0	0	0	111.2	L379 R381 T408 Y409 E410	L379-N412 HydrophobicContact CD1-CB 4.41Å; R381-N412 WeakPolarHBondContact CB-OD1 3.43Å; R381-N412 WeakPolarHBondContact CG-OD1 3.07Å; T408-N412 PolarHBondContact N-O 3.45Å; T408-N412 PolarHBondContact OG1-O 3.1Å; Y409-N412 WeakPolarHBondContact O-CB 3.11Å; Y409-N412 PolarHBondContact O-N 2.79Å; Y409-N412 VanDerWaalsContact O-N 3.1Å; Y409-N412 PolarHBondContact O-ND2 3.31Å; E410-N412 VanDerWaalsContact C-N 3.35Å
413	Y	92.9	Very high	90.8	Very high	11 Å²	11	52.2 Å²	52.2	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	131	-176.4	-55.3	-102.9	0	0	0	110.4	V380 V382 V393 C395 L405 Q406 K407 N411	V380-Y413 PolarHBondContact N-O 3.33Å; V380-Y413 PolarHBondContact O-N 3.45Å; V382-Y413 HydrophobicContact CG2-CD2 4.26Å; V382-Y413 HydrophobicContact CG2-CE2 4.1Å; V393-Y413 PolarHBondContact O-OH 3.03Å; C395-Y413 HydrophobicContact CB-CD1 4.05Å; C395-Y413 HydrophobicContact CB-CD2 3.89Å; C395-Y413 HydrophobicContact CB-CE1 3.64Å; C395-Y413 HydrophobicContact CB-CE2 3.47Å; C395-Y413 VanDerWaalsContact CB-CE2 3.47Å; C395-Y413 HydrophobicContact CB-CG 4.18Å; C395-Y413 PolarHBondContact N-OH 3.27Å; L405-Y413 HydrophobicContact CD1-CG 4.47Å; L405-Y413 HydrophobicContact CD2-CD1 3.95Å; L405-Y413 HydrophobicContact CD2-CG 4.41Å; L405-Y413 HydrophobicContact CG-CD1 4.1Å; L405-Y413 HydrophobicContact CG-CG 4.43Å; Q406-Y413 CarbonylContact O-C 3.57Å; Q406-Y413 WeakPolarHBondContact O-CA 3.29Å; K407-Y413 HydrophobicContact CB-CD1 3.63Å; K407-Y413 HydrophobicContact CB-CE1 3.67Å; K407-Y413 HydrophobicContact CD-CD1 4.32Å; K407-Y413 HydrophobicContact CD-CE1 3.52Å; K407-Y413 WeakPolarHBondContact CE-OH 3.47Å; K407-Y413 HydrophobicContact CG-CD1 3.82Å; K407-Y413 HydrophobicContact CG-CE1 3.54Å; K407-Y413 HydrophobicContact CG-CG 4.5Å; K407-Y413 PolarHBondContact NZ-OH 2.65Å; N411-Y413 VanDerWaalsContact O-CD2 3.26Å; N411-Y413 WeakPolarHBondContact O-CD2 3.08Å; N411-Y413 VanDerWaalsContact O-CE2 3.25Å; N411-Y413 WeakPolarHBondContact O-CE2 3.43Å
414	M	92.2	Very high	90.9	Very high	52 Å²	52	54.5 Å²	54.5	26%	0.256	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.3	172	-61.2	-174.1	-53.4	0	0	110.5	F376 L379 Q406 T408 L416	F376-M414 HydrophobicContact CD2-CB 4.24Å; F376-M414 HydrophobicContact CD2-CG 4.24Å; F376-M414 HydrophobicContact CD2-SD 4.19Å; F376-M414 HydrophobicContact CE2-CB 4.32Å; F376-M414 HydrophobicContact CE2-CG 4.1Å; F376-M414 HydrophobicContact CE2-SD 4.42Å; L379-M414 HydrophobicContact CD1-CG 4.39Å; Q406-M414 PolarHBondContact N-O 2.73Å; Q406-M414 PolarHBondContact O-N 3.06Å; T408-M414 HydrophobicContact CG2-CE 3.64Å; T408-M414 HydrophobicContact CG2-CG 3.72Å; T408-M414 HydrophobicContact CG2-SD 3.87Å; M414-L416 HydrophobicContact CB-CD2 4.08Å; M414-L416 HydrophobicContact CB-CG 4.31Å; M414-L416 HydrophobicContact CE-CD1 4.45Å; M414-L416 HydrophobicContact CE-CD2 4.41Å
415	I	92.9	Very high	90.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.1	166.2	-63.1	178.4	0	0	0	107.8	V377 A378 V380 L397 F403 K404 L405 L431 V433 F449	V377-I415 HydrophobicContact CB-CG2 4.34Å; V377-I415 PolarHBondContact N-O 3.07Å; A378-I415 HydrophobicContact CB-CB 4.44Å; A378-I415 PolarHBondContact O-N 2.97Å; V380-I415 HydrophobicContact CG2-CD1 3.65Å; V380-I415 HydrophobicContact CG2-CG1 4.06Å; L397-I415 HydrophobicContact CD1-CD1 3.89Å; L397-I415 HydrophobicContact CD2-CD1 4.45Å; L397-I415 HydrophobicContact CD2-CG1 4.37Å; L397-I415 HydrophobicContact CD2-CG2 4.19Å; F403-I415 HydrophobicContact CB-CG2 4.21Å; F403-I415 HydrophobicContact CD1-CG2 4.39Å; K404-I415 WeakPolarHBondContact O-CA 3.08Å; L405-I415 HydrophobicContact CD1-CD1 4.37Å; L405-I415 HydrophobicContact CD1-CG1 3.65Å; I415-L431 HydrophobicContact CG2-CD1 4.39Å; I415-V433 HydrophobicContact CD1-CG2 4.29Å; I415-F449 HydrophobicContact CD1-CE1 3.69Å; I415-F449 HydrophobicContact CD1-CZ 3.52Å
416	L	92.4	Very high	90.8	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.2	-175.6	-55.4	179.7	0	0	0	110.9	T375 F376 F403 K404 Q406 M414	T375-L416 CarbonylContact O-C 3.41Å; T375-L416 VanDerWaalsContact O-CA 3.26Å; T375-L416 WeakPolarHBondContact O-CA 3.41Å; F376-L416 HydrophobicContact CB-CD2 4.16Å; F376-L416 HydrophobicContact CD2-CD2 4.32Å; F403-L416 CarbonylContact C-O 3.49Å; F403-L416 VanDerWaalsContact CA-O 3.29Å; F403-L416 WeakPolarHBondContact CA-O 3.07Å; K404-L416 HydrophobicContact CG-CB 3.98Å; K404-L416 PolarHBondContact N-O 2.88Å; K404-L416 PolarHBondContact O-N 2.71Å; Q406-L416 HydrophobicContact CB-CD1 4.31Å; M414-L416 HydrophobicContact CB-CD2 4.08Å; M414-L416 HydrophobicContact CB-CG 4.31Å; M414-L416 HydrophobicContact CE-CD1 4.45Å; M414-L416 HydrophobicContact CE-CD2 4.41Å
417	T	93.4	Very high	90.8	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	139.4	166.4	58.9	0	0	0	0	110.5	V367 P372 D374 T375 V377 F403 L421	V367-T417 HydrophobicContact CG2-CG2 4.36Å; P372-T417 PolarHBondContact O-OG1 3.24Å; D374-T417 WeakPolarHBondContact CA-O 3.45Å; D374-T417 PolarHBondContact N-O 3.44Å; D374-T417 PolarHBondContact N-OG1 2.73Å; T375-T417 PolarHBondContact N-OG1 2.87Å; T375-T417 PolarHBondContact O-N 2.61Å; V377-T417 HydrophobicContact CG2-CG2 4.05Å; F403-T417 HydrophobicContact CE1-CG2 4.27Å; T417-L421 HydrophobicContact CG2-CD1 4.02Å; T417-L421 HydrophobicContact CG2-CG 4.42Å
418	N	92.4	Very high	90.9	Very high	75 Å²	75	60 Å²	60	40%	0.401	30%	0.298	S	S	.	.			trans	-121	-16.2	-179.7	-177.1	67.2	0	0	0	112.1	G401 Y402 K404	G401-N418 PolarHBondContact O-ND2 2.84Å; Y402-N418 PolarHBondContact O-N 2.79Å; K404-N418 HydrophobicContact CB-CB 4.06Å; K404-N418 HydrophobicContact CD-CB 4.21Å; K404-N418 HydrophobicContact CG-CB 4.17Å
419	V	91.2	Very high	91.1	Very high	58 Å²	58	57.4 Å²	57.4	35%	0.352	28%	0.282	S	S	.	.	S	Bend	trans	-137.3	152.2	174.1	-173.4	0	0	0	0	107.3	L373 Y402 L421	L373-V419 VanDerWaalsContact CD2-C 3.42Å; Y402-V419 HydrophobicContact CD1-CB 4.01Å; Y402-V419 HydrophobicContact CD1-CG1 4.27Å; Y402-V419 HydrophobicContact CE1-CG1 4.47Å; Y402-V419 PolarHBondContact O-N 2.86Å; V419-L421 PolarHBondContact O-N 2.98Å
420	S	91.4	Very high	91.6	Very high	82 Å²	82	53.2 Å²	53.2	57%	0.573	28%	0.276	S	S	*	.			trans	-57.1	135.5	169.4	51.4	0	0	0	0	110.3
421	L	92.9	Very high	92.1	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.063	24%	0.244	C	C	.	.			trans	-88.3	164.3	176	-58	179.7	0	0	0	110	V367 E369 Y402 F403 T417 V419 F429 V453	V367-L421 HydrophobicContact CB-CD1 4.42Å; V367-L421 HydrophobicContact CG1-CD1 3.45Å; V367-L421 VanDerWaalsContact CG1-CD1 3.45Å; V367-L421 HydrophobicContact CG2-CD1 4.05Å; E369-L421 HydrophobicContact CB-CB 4.45Å; Y402-L421 HydrophobicContact CD1-CD2 4.24Å; F403-L421 HydrophobicContact CE1-CD1 4.33Å; F403-L421 HydrophobicContact CZ-CD1 4.24Å; F403-L421 HydrophobicContact CZ-CD2 4.08Å; T417-L421 HydrophobicContact CG2-CD1 4.02Å; T417-L421 HydrophobicContact CG2-CG 4.42Å; V419-L421 PolarHBondContact O-N 2.98Å; L421-F429 HydrophobicContact CD2-CE2 4.15Å; L421-F429 HydrophobicContact CD2-CZ 4.27Å; L421-V453 HydrophobicContact CB-CG1 4.31Å; L421-V453 HydrophobicContact CD1-CG2 4.4Å
422	D	93.5	Very high	92.4	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	24%	0.239	S	C	.	.			trans	-166.9	106.6	-168.8	-171.5	-77.3	0	0	0	107.6	K425 R426	D422-K425 HydrophobicContact CB-CB 4.32Å; D422-K425 HydrophobicContact CB-CD 4.23Å; D422-K425 WeakPolarHBondContact OD1-CB 3.42Å; D422-K425 WeakPolarHBondContact OD1-CD 3.03Å; D422-K425 WeakPolarHBondContact OD1-CG 3.19Å; D422-K425 PolarHBondContact OD1-N 2.8Å; D422-K425 IonicContact OD1-NZ 3.07Å; D422-K425 PolarHBondContact OD1-NZ 3.38Å; D422-K425 IonicContact OD2-NZ 3.66Å; D422-K425 PolarHBondContact OD2-NZ 2.89Å; D422-R426 CarbonylContact O-C 3.57Å; D422-R426 PolarHBondContact O-N 2.93Å
423	R	94.9	Very high	92.5	Very high	31 Å²	31	45 Å²	45	12%	0.117	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-31.7	-165.4	-174.9	-138.1	61	116.5	-1.6	111.5	E369 K425 R426 S427 V453 D455 P490	E369-R423 WeakPolarHBondContact OE1-CB 3.29Å; E369-R423 WeakPolarHBondContact OE2-CB 3.31Å; E369-R423 PolarHBondContact OE2-N 3.16Å; R423-K425 VanDerWaalsContact C-N 3.32Å; R423-K425 PolarHBondContact O-N 3.36Å; R423-R426 CarbonylContact O-C 3.44Å; R423-R426 VanDerWaalsContact O-C 3.22Å; R423-R426 PolarHBondContact O-N 2.85Å; R423-R426 VanDerWaalsContact O-N 3.1Å; R423-S427 PolarHBondContact O-N 3.41Å; R423-S427 VanDerWaalsContact O-N 3.09Å; R423-V453 HydrophobicContact CB-CB 4.2Å; R423-V453 HydrophobicContact CB-CG1 3.86Å; R423-V453 HydrophobicContact CG-CB 4.23Å; R423-V453 HydrophobicContact CG-CG1 4.34Å; R423-D455 VanDerWaalsContact CD-OD1 3.24Å; R423-D455 WeakPolarHBondContact CD-OD1 3.47Å; R423-D455 IonicContact CZ-OD1 2.67Å; R423-D455 IonicContact NE-OD1 3.63Å; R423-D455 PolarHBondContact NE-OD1 2.89Å; R423-D455 IonicContact NH1-OD1 3.83Å; R423-D455 PolarHBondContact NH1-OD1 2.97Å; R423-D455 IonicContact NH2-OD1 3Å; R423-P490 PolarHBondContact NH2-O 2.96Å
424	E	94.1	Very high	92.6	Very high	61 Å²	61	46 Å²	46	29%	0.285	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-35.4	176.2	-61.5	59	-114.3	0	0	110.5	P490	E424-P490 HydrophobicContact CG-CB 3.85Å; E424-P490 HydrophobicContact CG-CG 4.13Å
425	K	91.9	Very high	92.7	Very high	164 Å²	164	43.6 Å²	43.6	71%	0.713	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-42.9	166.2	-72.3	168.5	-160.4	68.7	0	111.3	D422 R423	D422-K425 HydrophobicContact CB-CB 4.32Å; D422-K425 HydrophobicContact CB-CD 4.23Å; D422-K425 WeakPolarHBondContact OD1-CB 3.42Å; D422-K425 WeakPolarHBondContact OD1-CD 3.03Å; D422-K425 WeakPolarHBondContact OD1-CG 3.19Å; D422-K425 PolarHBondContact OD1-N 2.8Å; D422-K425 IonicContact OD1-NZ 3.07Å; D422-K425 PolarHBondContact OD1-NZ 3.38Å; D422-K425 IonicContact OD2-NZ 3.66Å; D422-K425 PolarHBondContact OD2-NZ 2.89Å; R423-K425 VanDerWaalsContact C-N 3.32Å; R423-K425 PolarHBondContact O-N 3.36Å
426	R	91.4	Very high	92.8	Very high	85 Å²	85	46.8 Å²	46.8	32%	0.321	25%	0.248	S	C	.	.			trans	-162.5	107.7	-177.6	-171.9	161	179.4	175.4	-2.9	115.5	D422 R423 E428 F429 V453	D422-R426 CarbonylContact O-C 3.57Å; D422-R426 PolarHBondContact O-N 2.93Å; R423-R426 CarbonylContact O-C 3.44Å; R423-R426 VanDerWaalsContact O-C 3.22Å; R423-R426 PolarHBondContact O-N 2.85Å; R423-R426 VanDerWaalsContact O-N 3.1Å; R426-E428 WeakPolarHBondContact CG-O 3.45Å; R426-E428 PolarHBondContact NE-O 2.61Å; R426-E428 PolarHBondContact NH2-O 2.87Å; R426-F429 HydrophobicContact CB-CE2 4.33Å; R426-F429 HydrophobicContact CB-CZ 4.07Å; R426-F429 HydrophobicContact CG-CD2 4.46Å; R426-F429 HydrophobicContact CG-CE1 4.21Å; R426-F429 HydrophobicContact CG-CE2 3.97Å; R426-F429 HydrophobicContact CG-CZ 3.84Å; R426-V453 WeakPolarHBondContact O-CG2 3.47Å
427	S	91.2	Very high	92.9	Very high	65 Å²	65	46.6 Å²	46.6	46%	0.455	25%	0.247	S	C	.	.	S	Bend	trans	-76.3	-16.4	175.8	56.9	0	0	0	0	116.2	R423 V453	R423-S427 PolarHBondContact O-N 3.41Å; R423-S427 VanDerWaalsContact O-N 3.09Å; S427-V453 PolarHBondContact O-N 2.99Å
428	E	92.4	Very high	93	Very high	88 Å²	88	51.9 Å²	51.9	41%	0.411	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.8	-172.5	-165.2	-176.5	143.5	0	0	114.6	R426 T450 H452	R426-E428 WeakPolarHBondContact CG-O 3.45Å; R426-E428 PolarHBondContact NE-O 2.61Å; R426-E428 PolarHBondContact NH2-O 2.87Å; E428-T450 HydrophobicContact CG-CG2 3.41Å; E428-T450 VanDerWaalsContact CG-CG2 3.41Å; E428-T450 WeakPolarHBondContact OE1-CG2 3.49Å; E428-T450 PolarHBondContact OE1-OG1 2.91Å; E428-H452 IonicContact OE2-CE1 2.56Å; E428-H452 IonicContact OE2-ND1 2.82Å
429	F	91.3	Very high	92.9	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	110.8	172.9	-60.7	-97.9	0	0	0	111.1	Y402 F403 L421 R426 V451 V453	Y402-F429 HydrophobicContact CD1-CE1 4.19Å; Y402-F429 HydrophobicContact CD1-CZ 4.14Å; Y402-F429 HydrophobicContact CD2-CD1 4.32Å; Y402-F429 AromaticContact CD2-CE1 3.53Å; Y402-F429 HydrophobicContact CD2-CE1 3.53Å; Y402-F429 HydrophobicContact CD2-CZ 4.29Å; Y402-F429 HydrophobicContact CE1-CE1 4.5Å; Y402-F429 HydrophobicContact CE1-CZ 4.42Å; Y402-F429 AromaticContact CE2-CE1 3.89Å; Y402-F429 HydrophobicContact CE2-CE1 3.89Å; Y402-F429 AromaticContact CG-CE1 3.69Å; Y402-F429 HydrophobicContact CG-CE1 3.69Å; Y402-F429 HydrophobicContact CG-CZ 4.07Å; F403-F429 HydrophobicContact CE2-CB 3.79Å; F403-F429 AromaticContact CE2-CD1 3.92Å; F403-F429 HydrophobicContact CE2-CD1 3.92Å; F403-F429 AromaticContact CE2-CD2 3.99Å; F403-F429 HydrophobicContact CE2-CD2 3.99Å; F403-F429 HydrophobicContact CE2-CE1 4.47Å; F403-F429 AromaticContact CE2-CG 3.65Å; F403-F429 HydrophobicContact CE2-CG 3.65Å; F403-F429 HydrophobicContact CZ-CB 4.4Å; F403-F429 HydrophobicContact CZ-CD2 4.14Å; F403-F429 HydrophobicContact CZ-CG 4.23Å; L421-F429 HydrophobicContact CD2-CE2 4.15Å; L421-F429 HydrophobicContact CD2-CZ 4.27Å; R426-F429 HydrophobicContact CB-CE2 4.33Å; R426-F429 HydrophobicContact CB-CZ 4.07Å; R426-F429 HydrophobicContact CG-CD2 4.46Å; R426-F429 HydrophobicContact CG-CE1 4.21Å; R426-F429 HydrophobicContact CG-CE2 3.97Å; R426-F429 HydrophobicContact CG-CZ 3.84Å; F429-V451 HydrophobicContact CB-CB 4.38Å; F429-V451 PolarHBondContact N-O 2.93Å; F429-V451 PolarHBondContact O-N 3.05Å; F429-V453 HydrophobicContact CD2-CG2 4.07Å; F429-V453 HydrophobicContact CE2-CG2 3.77Å
430	S	91.6	Very high	92.9	Very high	69 Å²	69	52.2 Å²	52.2	48%	0.483	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.4	164.1	-175.8	0	0	0	0	109.5
431	L	91.8	Very high	93	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.7	179.2	-62.4	-175.6	0	0	0	110	L397 F403 I415 H448 F449 V451	L397-L431 HydrophobicContact CD1-CB 4.33Å; F403-L431 HydrophobicContact CB-CD1 4.32Å; F403-L431 HydrophobicContact CD1-CD1 4.39Å; F403-L431 HydrophobicContact CD2-CD1 3.88Å; F403-L431 HydrophobicContact CD2-CD2 3.83Å; F403-L431 HydrophobicContact CD2-CG 4.41Å; F403-L431 HydrophobicContact CE2-CD1 4.31Å; F403-L431 HydrophobicContact CE2-CD2 4.35Å; F403-L431 HydrophobicContact CG-CD1 3.92Å; I415-L431 HydrophobicContact CG2-CD1 4.39Å; L431-H448 WeakPolarHBondContact O-CA 3.32Å; L431-F449 HydrophobicContact CB-CD1 4.19Å; L431-F449 HydrophobicContact CB-CE1 3.71Å; L431-F449 HydrophobicContact CB-CE2 4.45Å; L431-F449 HydrophobicContact CB-CZ 3.86Å; L431-F449 HydrophobicContact CD1-CE1 4.33Å; L431-F449 HydrophobicContact CD1-CE2 4.15Å; L431-F449 HydrophobicContact CD1-CZ 3.67Å; L431-F449 HydrophobicContact CG-CZ 4.34Å; L431-F449 PolarHBondContact N-O 2.9Å; L431-F449 PolarHBondContact O-N 2.86Å; L431-F449 VanDerWaalsContact O-O 3.13Å; L431-V451 HydrophobicContact CD1-CG2 3.54Å; L431-V451 HydrophobicContact CG-CG2 4.13Å
432	T	92.8	Very high	93	Very high	25 Å²	25	55.3 Å²	55.3	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.2	-179.1	-56.5	0	0	0	0	109.6	H398 V434 V446 H448	H398-T432 WeakPolarHBondContact CA-O 3.45Å; H398-T432 PolarHBondContact N-O 3.47Å; H398-T432 WeakPolarHBondContact O-CA 3.49Å; H398-T432 VanDerWaalsContact O-CB 3.31Å; H398-T432 WeakPolarHBondContact O-CB 3.35Å; H398-T432 PolarHBondContact O-N 2.87Å; T432-V434 HydrophobicContact CG2-CG2 4.17Å; T432-V446 HydrophobicContact CG2-CG1 3.37Å; T432-H448 VanDerWaalsContact CG2-CE1 3.49Å; T432-H448 WeakPolarHBondContact CG2-CE1 3.15Å; T432-H448 WeakPolarHBondContact CG2-ND1 3.23Å; T432-H448 PolarHBondContact OG1-CE1 3.12Å; T432-H448 PolarHBondContact OG1-ND1 3.49Å
433	V	93.9	Very high	93.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.3	170.2	-172.3	0	0	0	0	107.9	I352 I354 V380 C395 L397 I415 V446 K447 F449	I352-V433 HydrophobicContact CD1-CB 4.41Å; I352-V433 HydrophobicContact CD1-CG1 4.07Å; I352-V433 HydrophobicContact CG2-CB 4.32Å; I352-V433 HydrophobicContact CG2-CG1 3.97Å; I354-V433 HydrophobicContact CD1-CG2 3.91Å; V380-V433 HydrophobicContact CG1-CG1 3.94Å; V380-V433 HydrophobicContact CG2-CG2 4.14Å; C395-V433 WeakPolarHBondContact SG-CG1 3.34Å; L397-V433 HydrophobicContact CD1-CG2 4.3Å; I415-V433 HydrophobicContact CD1-CG2 4.29Å; V433-V446 WeakPolarHBondContact O-CA 3.3Å; V433-K447 PolarHBondContact N-O 3.39Å; V433-K447 PolarHBondContact O-N 2.87Å; V433-F449 HydrophobicContact CG2-CD1 4.27Å; V433-F449 HydrophobicContact CG2-CE1 3.89Å
434	V	94.4	Very high	93.1	Very high	34 Å²	34	57.4 Å²	57.4	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.7	171.2	-175.7	0	0	0	0	107.8	C395 K396 T432 T445 V446	C395-V434 CarbonylContact C-O 3.48Å; C395-V434 WeakPolarHBondContact CA-O 3.34Å; K396-V434 PolarHBondContact N-O 3.34Å; K396-V434 PolarHBondContact O-N 2.86Å; T432-V434 HydrophobicContact CG2-CG2 4.17Å; V434-T445 WeakPolarHBondContact CA-O 3.45Å; V434-V446 HydrophobicContact CG1-CG2 4.37Å; V434-V446 HydrophobicContact CG2-CG1 4.38Å; V434-V446 HydrophobicContact CG2-CG2 4.25Å
435	A	95.3	Very high	93.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.4	166.4	0	0	0	0	0	108.5	P350 I352 V382 S444 T445	P350-A435 HydrophobicContact CB-CB 3.62Å; P350-A435 HydrophobicContact CG-CB 4.28Å; I352-A435 HydrophobicContact CD1-CB 3.71Å; I352-A435 HydrophobicContact CG1-CB 3.91Å; V382-A435 HydrophobicContact CG1-CB 3.57Å; V382-A435 HydrophobicContact CG2-CB 4.18Å; A435-S444 CarbonylContact O-C 3.54Å; A435-S444 WeakPolarHBondContact O-CA 3.36Å; A435-S444 WeakPolarHBondContact O-CB 3.2Å; A435-T445 PolarHBondContact N-O 2.84Å; A435-T445 PolarHBondContact O-N 3.13Å
436	E	94.7	Very high	93.3	Very high	68 Å²	68	51.2 Å²	51.2	32%	0.318	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.2	-179.1	-178.1	-178.8	-160.3	0	0	107	E394 K396 L443	E394-E436 PolarHBondContact N-O 3.12Å; E394-E436 PolarHBondContact O-N 3.36Å; K396-E436 IonicContact NZ-OE2 2.67Å; K396-E436 PolarHBondContact NZ-OE2 3.35Å; E436-L443 WeakPolarHBondContact CA-O 3.42Å
437	D	95.6	Very high	93.3	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.032	29%	0.291	C	S	.	.			trans	-78.9	-172	176.2	68	47.3	0	0	0	112.5	N346 P350 N390 G439 S442 L443	N346-D437 PolarHBondContact ND2-OD2 2.84Å; P350-D437 HydrophobicContact CG-CB 4.17Å; N390-D437 WeakPolarHBondContact O-CB 3.45Å; D437-G439 PolarHBondContact OD1-N 3.27Å; D437-S442 WeakPolarHBondContact OD1-CA 3.21Å; D437-S442 WeakPolarHBondContact OD1-CB 3.11Å; D437-L443 VanDerWaalsContact CG-N 3.32Å; D437-L443 PolarHBondContact N-O 3.27Å; D437-L443 PolarHBondContact OD1-N 2.66Å; D437-L443 VanDerWaalsContact OD2-CA 3.23Å; D437-L443 WeakPolarHBondContact OD2-CA 3.15Å; D437-L443 WeakPolarHBondContact OD2-CB 3.46Å; D437-L443 PolarHBondContact OD2-N 2.79Å
438	R	93.9	Very high	93.3	Very high	111 Å²	111	53.2 Å²	53.2	42%	0.419	30%	0.296	S	S	.	.	S	Bend	trans	-121.1	21.5	173.4	-71.4	175	174	176.4	7.9	113.2	L389 E392 E394	L389-R438 CarbonylContact O-C 3.54Å; L389-R438 VanDerWaalsContact O-C 3.28Å; L389-R438 WeakPolarHBondContact O-CA 3.28Å; L389-R438 WeakPolarHBondContact O-CB 3.33Å; L389-R438 PolarHBondContact O-N 2.86Å; E392-R438 HydrophobicContact CB-CB 4.48Å; E392-R438 WeakPolarHBondContact O-CG 3.36Å; E392-R438 PolarHBondContact O-N 2.82Å; E392-R438 IonicContact OE1-CZ 3.88Å; E392-R438 IonicContact OE1-NH1 2.89Å; E392-R438 PolarHBondContact OE1-NH1 2.94Å; E392-R438 WeakPolarHBondContact OE2-CD 3.42Å; E392-R438 IonicContact OE2-CZ 3.57Å; E392-R438 IonicContact OE2-NE 2.68Å; E392-R438 IonicContact OE2-NH1 3.47Å; E392-R438 PolarHBondContact OE2-NH1 2.87Å; E394-R438 IonicContact OE2-CZ 3.05Å; E394-R438 IonicContact OE2-NE 2.65Å; E394-R438 IonicContact OE2-NH2 3.6Å; E394-R438 PolarHBondContact OE2-NH2 2.82Å
439	G	91.8	Very high	93.3	Very high	6 Å²	6	49.5 Å²	49.5	6%	0.062	28%	0.278	C	S	.	.	S	Bend	trans	-69.4	175.8	169.1	0	0	0	0	0	113	N346 N390 D437 P441 S442	N346-G439 WeakPolarHBondContact OD1-CA 3.06Å; N390-G439 WeakPolarHBondContact OD1-CA 3.22Å; D437-G439 PolarHBondContact OD1-N 3.27Å; G439-P441 CarbonylContact C-O 3.56Å; G439-P441 CarbonylContact O-C 3.54Å; G439-S442 PolarHBondContact O-N 3.31Å
440	T	90.1	Very high	93.3	Very high	135 Å²	135	50.6 Å²	50.6	83%	0.828	29%	0.285	S	S	*	.	S	Bend	trans	-136.6	106	176.1	60.1	0	0	0	0	110.7
441	P	93	Very high	93.3	Very high	103 Å²	103	47.3 Å²	47.3	67%	0.669	26%	0.262	S	S	*	.	S	Bend	cis	-65.5	151	-1.4	31.8	-36.8	0	0	0	112	N346 G439	N346-P441 PolarHBondContact ND2-O 2.93Å; G439-P441 CarbonylContact C-O 3.56Å; G439-P441 CarbonylContact O-C 3.54Å
442	S	94.1	Very high	93.3	Very high	56 Å²	56	50 Å²	50	39%	0.392	28%	0.275	S	S	.	.			trans	-77.2	140.8	171.9	55.3	0	0	0	0	111.2	D437 G439	D437-S442 WeakPolarHBondContact OD1-CA 3.21Å; D437-S442 WeakPolarHBondContact OD1-CB 3.11Å; G439-S442 PolarHBondContact O-N 3.31Å
443	L	94.6	Very high	93.3	Very high	58 Å²	58	49.3 Å²	49.3	30%	0.304	27%	0.27	S	S	.	.			trans	-106.4	158.5	173.4	-57.2	171.5	0	0	0	109.2	N346 N348 K349 E436 D437	N346-L443 WeakPolarHBondContact ND2-CD1 3.34Å; N346-L443 WeakPolarHBondContact ND2-CG 3.44Å; N348-L443 WeakPolarHBondContact O-CD1 3.16Å; K349-L443 HydrophobicContact CB-CB 3.95Å; E436-L443 WeakPolarHBondContact CA-O 3.42Å; D437-L443 VanDerWaalsContact CG-N 3.32Å; D437-L443 PolarHBondContact N-O 3.27Å; D437-L443 PolarHBondContact OD1-N 2.66Å; D437-L443 VanDerWaalsContact OD2-CA 3.23Å; D437-L443 WeakPolarHBondContact OD2-CA 3.15Å; D437-L443 WeakPolarHBondContact OD2-CB 3.46Å; D437-L443 PolarHBondContact OD2-N 2.79Å
444	S	95	Very high	93.2	Very high	67 Å²	67	51.8 Å²	51.8	47%	0.469	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	150.3	-176.7	50.8	0	0	0	0	112.5	A435	A435-S444 CarbonylContact O-C 3.54Å; A435-S444 WeakPolarHBondContact O-CA 3.36Å; A435-S444 WeakPolarHBondContact O-CB 3.2Å
445	T	96.1	Very high	93.2	Very high	18 Å²	18	51.6 Å²	51.6	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.1	172.9	-68.7	0	0	0	0	109.3	K349 P350 I352 V434 A435	K349-T445 PolarHBondContact NZ-OG1 3.49Å; P350-T445 WeakPolarHBondContact O-CB 3.43Å; P350-T445 PolarHBondContact O-OG1 2.65Å; I352-T445 HydrophobicContact CD1-CG2 3.88Å; I352-T445 WeakPolarHBondContact CD1-O 3.5Å; I352-T445 HydrophobicContact CG1-CG2 3.96Å; V434-T445 WeakPolarHBondContact CA-O 3.45Å; A435-T445 PolarHBondContact N-O 2.84Å; A435-T445 PolarHBondContact O-N 3.13Å
446	V	94.7	Very high	93.1	Very high	76 Å²	76	55.5 Å²	55.5	46%	0.461	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.7	177.8	-176.4	0	0	0	0	107.9	T432 V433 V434	T432-V446 HydrophobicContact CG2-CG1 3.37Å; V433-V446 WeakPolarHBondContact O-CA 3.3Å; V434-V446 HydrophobicContact CG1-CG2 4.37Å; V434-V446 HydrophobicContact CG2-CG1 4.38Å; V434-V446 HydrophobicContact CG2-CG2 4.25Å
447	K	92	Very high	93.1	Very high	75 Å²	75	53.4 Å²	53.4	33%	0.326	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123	177.6	-172	162.9	178.5	166.3	0	110.5	I352 I354 V433	I352-K447 HydrophobicContact CB-CB 4.2Å; I352-K447 HydrophobicContact CB-CD 4.03Å; I352-K447 HydrophobicContact CD1-CB 4.18Å; I352-K447 HydrophobicContact CG2-CB 4.21Å; I352-K447 HydrophobicContact CG2-CD 4.07Å; I352-K447 WeakPolarHBondContact O-CD 3.44Å; I352-K447 WeakPolarHBondContact O-CE 3.48Å; I352-K447 PolarHBondContact O-NZ 3.33Å; I354-K447 HydrophobicContact CD1-CB 4.47Å; I354-K447 HydrophobicContact CD1-CD 3.83Å; I354-K447 HydrophobicContact CD1-CG 3.93Å; I354-K447 HydrophobicContact CG1-CD 4.06Å; V433-K447 PolarHBondContact N-O 3.39Å; V433-K447 PolarHBondContact O-N 2.87Å
448	H	91.4	Very high	92.9	Very high	118 Å²	118	58.1 Å²	58.1	55%	0.546	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144	177.1	-52.7	-73	0	0	0	109.9	L431 T432	L431-H448 WeakPolarHBondContact O-CA 3.32Å; T432-H448 VanDerWaalsContact CG2-CE1 3.49Å; T432-H448 WeakPolarHBondContact CG2-CE1 3.15Å; T432-H448 WeakPolarHBondContact CG2-ND1 3.23Å; T432-H448 PolarHBondContact OG1-CE1 3.12Å; T432-H448 PolarHBondContact OG1-ND1 3.49Å
449	F	90.9	Very high	92.9	Very high	9 Å²	9	55 Å²	55	4%	0.039	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.6	168.2	75.3	-81.8	0	0	0	109.9	I354 F356 A365 I415 L431 V433 V451	I354-F449 HydrophobicContact CD1-CD1 3.83Å; I354-F449 HydrophobicContact CD1-CE1 4.33Å; I354-F449 HydrophobicContact CD1-CG 4.45Å; F356-F449 AromaticContact CE1-CD2 3.52Å; F356-F449 HydrophobicContact CE1-CD2 3.52Å; F356-F449 AromaticContact CE1-CE2 3.79Å; F356-F449 HydrophobicContact CE1-CE2 3.79Å; F356-F449 HydrophobicContact CE1-CG 4.19Å; F356-F449 HydrophobicContact CZ-CB 3.98Å; F356-F449 AromaticContact CZ-CD2 3.7Å; F356-F449 HydrophobicContact CZ-CD2 3.7Å; F356-F449 HydrophobicContact CZ-CE2 4.4Å; F356-F449 AromaticContact CZ-CG 3.98Å; F356-F449 HydrophobicContact CZ-CG 3.98Å; A365-F449 HydrophobicContact CB-CE2 4.42Å; I415-F449 HydrophobicContact CD1-CE1 3.69Å; I415-F449 HydrophobicContact CD1-CZ 3.52Å; L431-F449 HydrophobicContact CB-CD1 4.19Å; L431-F449 HydrophobicContact CB-CE1 3.71Å; L431-F449 HydrophobicContact CB-CE2 4.45Å; L431-F449 HydrophobicContact CB-CZ 3.86Å; L431-F449 HydrophobicContact CD1-CE1 4.33Å; L431-F449 HydrophobicContact CD1-CE2 4.15Å; L431-F449 HydrophobicContact CD1-CZ 3.67Å; L431-F449 HydrophobicContact CG-CZ 4.34Å; L431-F449 PolarHBondContact N-O 2.9Å; L431-F449 PolarHBondContact O-N 2.86Å; L431-F449 VanDerWaalsContact O-O 3.13Å; V433-F449 HydrophobicContact CG2-CD1 4.27Å; V433-F449 HydrophobicContact CG2-CE1 3.89Å; F449-V451 HydrophobicContact CD2-CG2 4.33Å; F449-V451 HydrophobicContact CE2-CG2 3.64Å; F449-V451 HydrophobicContact CZ-CG2 4.37Å
450	T	91.3	Very high	93	Very high	28 Å²	28	57.9 Å²	57.9	17%	0.172	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.9	178.9	-77.2	0	0	0	0	111.3	D363 A364 A365 E428 H452	D363-T450 PolarHBondContact O-N 3.2Å; A364-T450 CarbonylContact C-O 3.43Å; A364-T450 VanDerWaalsContact CA-O 3.25Å; A364-T450 WeakPolarHBondContact CA-O 2.95Å; A365-T450 PolarHBondContact N-O 3.47Å; E428-T450 HydrophobicContact CG-CG2 3.41Å; E428-T450 VanDerWaalsContact CG-CG2 3.41Å; E428-T450 WeakPolarHBondContact OE1-CG2 3.49Å; E428-T450 PolarHBondContact OE1-OG1 2.91Å; T450-H452 VanDerWaalsContact CG2-CE1 3.43Å; T450-H452 WeakPolarHBondContact CG2-CE1 3.26Å
451	V	91.7	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.2	164.7	-175.4	0	0	0	0	108.2	A365 V367 V377 F403 F429 L431 F449	A365-V451 HydrophobicContact CB-CG2 4.28Å; A365-V451 WeakPolarHBondContact O-CA 3.27Å; V367-V451 HydrophobicContact CG1-CG1 3.5Å; V367-V451 VanDerWaalsContact CG1-CG1 3.5Å; V377-V451 HydrophobicContact CG1-CG1 4.04Å; V377-V451 HydrophobicContact CG1-CG2 3.91Å; F403-V451 HydrophobicContact CE1-CG1 4.14Å; F403-V451 HydrophobicContact CE1-CG2 4.47Å; F403-V451 HydrophobicContact CZ-CB 4.21Å; F403-V451 HydrophobicContact CZ-CG1 3.91Å; F403-V451 HydrophobicContact CZ-CG2 4.35Å; F429-V451 HydrophobicContact CB-CB 4.38Å; F429-V451 PolarHBondContact N-O 2.93Å; F429-V451 PolarHBondContact O-N 3.05Å; L431-V451 HydrophobicContact CD1-CG2 3.54Å; L431-V451 HydrophobicContact CG-CG2 4.13Å; F449-V451 HydrophobicContact CD2-CG2 4.33Å; F449-V451 HydrophobicContact CE2-CG2 3.64Å; F449-V451 HydrophobicContact CZ-CG2 4.37Å
452	H	91.6	Very high	93.3	Very high	56 Å²	56	55.6 Å²	55.6	26%	0.259	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.9	169.2	-65.4	-63.6	0	0	0	109.8	A365 Y366 V367 E428 T450	A365-H452 PolarHBondContact O-N 2.89Å; Y366-H452 WeakPolarHBondContact CA-O 3.38Å; Y366-H452 HydrophobicContact CD1-CB 3.9Å; Y366-H452 HydrophobicContact CE1-CB 3.95Å; Y366-H452 AromaticContact CE1-CD2 3.88Å; Y366-H452 AromaticContact CZ-CD2 3.97Å; V367-H452 PolarHBondContact N-O 2.74Å; V367-H452 VanDerWaalsContact N-O 3.09Å; E428-H452 IonicContact OE2-CE1 2.56Å; E428-H452 IonicContact OE2-ND1 2.82Å; T450-H452 VanDerWaalsContact CG2-CE1 3.43Å; T450-H452 WeakPolarHBondContact CG2-CE1 3.26Å
453	V	93.3	Very high	93.4	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.1	170.6	-169.8	0	0	0	0	108.1	V367 E369 L421 R423 R426 S427 F429	V367-V453 CarbonylContact O-C 3.58Å; V367-V453 VanDerWaalsContact O-CA 3.29Å; V367-V453 WeakPolarHBondContact O-CA 3.47Å; E369-V453 HydrophobicContact CB-CG1 3.72Å; L421-V453 HydrophobicContact CB-CG1 4.31Å; L421-V453 HydrophobicContact CD1-CG2 4.4Å; R423-V453 HydrophobicContact CB-CB 4.2Å; R423-V453 HydrophobicContact CB-CG1 3.86Å; R423-V453 HydrophobicContact CG-CB 4.23Å; R423-V453 HydrophobicContact CG-CG1 4.34Å; R426-V453 WeakPolarHBondContact O-CG2 3.47Å; S427-V453 PolarHBondContact O-N 2.99Å; F429-V453 HydrophobicContact CD2-CG2 4.07Å; F429-V453 HydrophobicContact CE2-CG2 3.77Å
454	T	92.6	Very high	93.2	Very high	53 Å²	53	57 Å²	57	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136	176.6	61.7	0	0	0	0	110.8	Y366 V367 S368 E369	Y366-T454 HydrophobicContact CD1-CG2 3.97Å; Y366-T454 HydrophobicContact CG-CG2 4.49Å; V367-T454 PolarHBondContact O-N 3.33Å; V367-T454 PolarHBondContact O-OG1 3.36Å; S368-T454 VanDerWaalsContact CA-OG1 3.23Å; S368-T454 WeakPolarHBondContact CA-OG1 3.46Å; S368-T454 PolarHBondContact N-OG1 3.4Å; E369-T454 PolarHBondContact N-O 2.59Å
455	D	93.8	Very high	93	Very high	30 Å²	30	59.1 Å²	59.1	16%	0.16	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-65.7	132.1	-173.7	-166.4	91.5	0	0	0	113.7	E369 R423 L492 N495	E369-D455 VanDerWaalsContact OE1-CA 3.3Å; E369-D455 WeakPolarHBondContact OE1-CA 3.34Å; R423-D455 VanDerWaalsContact CD-OD1 3.24Å; R423-D455 WeakPolarHBondContact CD-OD1 3.47Å; R423-D455 IonicContact CZ-OD1 2.67Å; R423-D455 IonicContact NE-OD1 3.63Å; R423-D455 PolarHBondContact NE-OD1 2.89Å; R423-D455 IonicContact NH1-OD1 3.83Å; R423-D455 PolarHBondContact NH1-OD1 2.97Å; R423-D455 IonicContact NH2-OD1 3Å; D455-L492 HydrophobicContact CB-CB 3.84Å; D455-L492 VanDerWaalsContact CG-N 3.26Å; D455-L492 WeakPolarHBondContact OD1-CB 3.37Å; D455-L492 PolarHBondContact OD1-N 3.35Å; D455-L492 PolarHBondContact OD2-N 3.47Å; D455-L492 VanDerWaalsContact OD2-N 3.16Å; D455-N495 WeakPolarHBondContact OD2-CB 3.45Å; D455-N495 PolarHBondContact OD2-ND2 2.94Å
456	E	93.1	Very high	92.6	Very high	81 Å²	81	61.5 Å²	61.5	38%	0.379	32%	0.318	S	S	.	.			trans	-118.9	145.8	170	-64.2	-74.6	175.3	0	0	110	S368 E369 A370 D458	S368-E456 WeakPolarHBondContact CB-OE1 3.35Å; S368-E456 VanDerWaalsContact OG-CD 3.3Å; S368-E456 WeakPolarHBondContact OG-CG 3.26Å; S368-E456 PolarHBondContact OG-OE1 3.44Å; E369-E456 HydrophobicContact CG-CB 4.02Å; E369-E456 HydrophobicContact CG-CG 4.02Å; E369-E456 PolarHBondContact OE1-N 2.91Å; A370-E456 HydrophobicContact CB-CG 3.87Å; E456-D458 PolarHBondContact O-N 3.35Å
457	N	94.2	Very high	92.6	Very high	25 Å²	25	64.1 Å²	64.1	13%	0.134	32%	0.319	C	S	.	.			trans	-79.3	69.4	-174.8	-161.6	111.3	0	0	0	112	D491 N495 D547 G549 L553	N457-D491 WeakPolarHBondContact CA-OD2 3.36Å; N457-N495 HydrophobicContact CB-CB 4.04Å; N457-N495 WeakPolarHBondContact OD1-CA 3.41Å; N457-N495 WeakPolarHBondContact OD1-CB 3.13Å; N457-N495 VanDerWaalsContact OD1-CG 3.26Å; N457-N495 PolarHBondContact OD1-OD1 3.18Å; N457-D547 PolarHBondContact ND2-OD2 3.04Å; N457-D547 PolarHBondContact OD1-OD2 2.81Å; N457-G549 WeakPolarHBondContact OD1-CA 3.47Å; N457-L553 WeakPolarHBondContact ND2-CD1 3.5Å; N457-L553 WeakPolarHBondContact ND2-CG 3.33Å; N457-L553 WeakPolarHBondContact O-CD1 3.33Å
458	D	92.4	Very high	92.7	Very high	104 Å²	104	61.3 Å²	61.3	56%	0.556	31%	0.307	S	S	*	.			trans	-96	-27.5	-170.6	145.5	-70.3	0	0	0	112.5	E456 D491	E456-D458 PolarHBondContact O-N 3.35Å; D458-D491 PolarHBondContact N-OD2 2.76Å; D458-D491 VanDerWaalsContact N-OD2 3.12Å
459	N	93.1	Very high	92.8	Very high	46 Å²	46	61 Å²	61	25%	0.246	31%	0.306	C	S	.	.	S	Bend	trans	-100.2	137.2	180	-64.7	-85.7	0	0	0	112.8	P490 D491 L553	N459-P490 HydrophobicContact CB-CG 3.46Å; N459-P490 VanDerWaalsContact CB-CG 3.46Å; N459-P490 VanDerWaalsContact CG-CG 3.47Å; N459-D491 VanDerWaalsContact CB-OD1 3.28Å; N459-D491 WeakPolarHBondContact CB-OD1 3.26Å; N459-D491 PolarHBondContact N-OD2 3.35Å; N459-D491 PolarHBondContact ND2-OD1 3.48Å; N459-L553 WeakPolarHBondContact O-CD1 3.36Å
460	P	94.1	Very high	92.9	Very high	66 Å²	66	61.2 Å²	61.2	43%	0.429	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-86.4	145.6	172.7	32.5	-33.3	0	0	0	112.2	R462 L553	P460-R462 PolarHBondContact O-N 2.99Å; P460-L553 HydrophobicContact CB-CB 4.01Å; P460-L553 HydrophobicContact CB-CD1 4.36Å
461	P	95.8	Very high	93	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-55.7	125.4	179.7	-27.6	31.1	0	0	0	112.6	D489 V498 A545 D547 S555	P461-D489 WeakPolarHBondContact CA-OD2 3.49Å; P461-D489 WeakPolarHBondContact CD-OD2 3.5Å; P461-D489 WeakPolarHBondContact CG-OD2 3.43Å; P461-V498 HydrophobicContact CB-CG1 4.23Å; P461-V498 HydrophobicContact CB-CG2 3.99Å; P461-V498 HydrophobicContact CG-CG2 4.39Å; P461-A545 HydrophobicContact CB-CB 3.87Å; P461-D547 HydrophobicContact CG-CB 4.2Å; P461-S555 WeakPolarHBondContact O-CB 3.42Å; P461-S555 PolarHBondContact O-OG 3.3Å
462	R	94.4	Very high	93.1	Very high	191 Å²	191	68.5 Å²	68.5	72%	0.721	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.5	-170.8	-176.6	177.5	172.6	-176.4	-2.6	113.6	P460 A487 T488	P460-R462 PolarHBondContact O-N 2.99Å; R462-A487 CarbonylContact O-C 3.54Å; R462-A487 WeakPolarHBondContact O-CA 3.4Å; R462-T488 PolarHBondContact N-O 2.97Å; R462-T488 PolarHBondContact O-N 3.22Å
463	F	94.8	Very high	93.1	Very high	18 Å²	18	67.8 Å²	67.8	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.9	170.9	-70.6	-75.8	0	0	0	113.2	K465 Y468 I485 T486 A487 Y500 A545 S555 T557	F463-K465 PolarHBondContact O-N 2.85Å; F463-Y468 HydrophobicContact CD1-CE2 4.38Å; F463-I485 HydrophobicContact CD1-CD1 4.27Å; F463-I485 HydrophobicContact CE1-CD1 3.48Å; F463-I485 VanDerWaalsContact CE1-CD1 3.48Å; F463-I485 HydrophobicContact CE1-CG1 4.07Å; F463-I485 HydrophobicContact CZ-CD1 4.14Å; F463-T486 WeakPolarHBondContact CA-O 3.13Å; F463-T486 WeakPolarHBondContact CD1-O 3.41Å; F463-A487 HydrophobicContact CD1-CB 3.74Å; F463-A487 HydrophobicContact CE1-CB 3.99Å; F463-A487 HydrophobicContact CG-CB 4.02Å; F463-Y500 HydrophobicContact CE1-CD1 4.13Å; F463-Y500 AromaticContact CE1-CE1 3.96Å; F463-Y500 HydrophobicContact CE1-CE1 3.96Å; F463-Y500 HydrophobicContact CZ-CD1 4.46Å; F463-A545 HydrophobicContact CD2-CB 4.41Å; F463-A545 HydrophobicContact CE1-CB 4.08Å; F463-A545 HydrophobicContact CE2-CB 3.61Å; F463-A545 HydrophobicContact CZ-CB 3.42Å; F463-A545 VanDerWaalsContact CZ-CB 3.42Å; F463-S555 VanDerWaalsContact CD2-OG 3.3Å; F463-S555 WeakPolarHBondContact CD2-OG 3.34Å; F463-T557 HydrophobicContact CD1-CG2 3.68Å; F463-T557 HydrophobicContact CD2-CG2 3.82Å; F463-T557 HydrophobicContact CE1-CG2 3.63Å; F463-T557 HydrophobicContact CE2-CG2 3.74Å; F463-T557 HydrophobicContact CG-CG2 3.78Å; F463-T557 HydrophobicContact CZ-CG2 3.64Å
464	E	91.1	Very high	93	Very high	126 Å²	126	67.4 Å²	67.4	59%	0.589	34%	0.335	S	S	*	.	S	Bend	trans	-57.7	-33.5	171.7	-68.2	179.6	-159.6	0	0	113.1	T486	E464-T486 PolarHBondContact N-O 3.2Å; E464-T486 WeakPolarHBondContact OE1-CB 3.49Å; E464-T486 PolarHBondContact OE1-OG1 2.87Å
465	K	90.8	Very high	92.9	Very high	111 Å²	111	69.1 Å²	69.1	48%	0.483	34%	0.342	S	S	.	.			trans	-137.7	133.8	-172.6	-55.2	172.2	-166.6	161.4	0	110.4	F463 R467 Y468 T557	F463-K465 PolarHBondContact O-N 2.85Å; K465-R467 VanDerWaalsContact C-N 3.26Å; K465-R467 WeakPolarHBondContact CB-O 3.27Å; K465-R467 PolarHBondContact O-N 3.48Å; K465-Y468 HydrophobicContact CB-CD2 4.3Å; K465-Y468 HydrophobicContact CB-CE1 4.24Å; K465-Y468 HydrophobicContact CB-CE2 3.92Å; K465-Y468 HydrophobicContact CD-CD1 4.12Å; K465-Y468 HydrophobicContact CD-CE1 3.83Å; K465-Y468 HydrophobicContact CG-CE1 4.32Å; K465-Y468 VanDerWaalsContact O-CE2 3.32Å; K465-Y468 WeakPolarHBondContact O-CE2 3.08Å; K465-T557 PolarHBondContact O-OG1 2.94Å
466	G	88.6	Confident	92.8	Very high	68 Å²	68	68.3 Å²	68.3	70%	0.701	34%	0.338	S	S	*	.	S	Bend	trans	-73.8	-14.7	175.1	0	0	0	0	0	114.5	T557 T558	G466-T557 VanDerWaalsContact C-OG1 3.3Å; G466-T557 PolarHBondContact O-OG1 3.28Å; G466-T558 PolarHBondContact O-N 2.86Å
467	R	93.5	Very high	92.7	Very high	131 Å²	131	67.6 Å²	67.6	49%	0.494	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139	169.5	-171.4	-173.8	-175.4	-160.9	5.8	109.4	K465 E469 T558	K465-R467 VanDerWaalsContact C-N 3.26Å; K465-R467 WeakPolarHBondContact CB-O 3.27Å; K465-R467 PolarHBondContact O-N 3.48Å; R467-E469 WeakPolarHBondContact CD-OE1 3.41Å; R467-E469 HydrophobicContact CG-CG 4.44Å; R467-E469 IonicContact CZ-OE1 2.84Å; R467-E469 IonicContact NE-OE1 2.96Å; R467-E469 PolarHBondContact NE-OE1 3Å; R467-E469 IonicContact NH1-OE1 3.28Å; R467-E469 PolarHBondContact NH1-OE1 2.66Å; R467-T558 CarbonylContact C-O 3.55Å; R467-T558 VanDerWaalsContact CA-O 3.27Å; R467-T558 WeakPolarHBondContact CA-O 3.41Å
468	Y	93.7	Very high	92.6	Very high	16 Å²	16	70.6 Å²	70.6	6%	0.063	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.9	167.8	-68.9	-98.5	0	0	0	109.2	F463 K465 I485 T486 T557 T558 V560	F463-Y468 HydrophobicContact CD1-CE2 4.38Å; K465-Y468 HydrophobicContact CB-CD2 4.3Å; K465-Y468 HydrophobicContact CB-CE1 4.24Å; K465-Y468 HydrophobicContact CB-CE2 3.92Å; K465-Y468 HydrophobicContact CD-CD1 4.12Å; K465-Y468 HydrophobicContact CD-CE1 3.83Å; K465-Y468 HydrophobicContact CG-CE1 4.32Å; K465-Y468 VanDerWaalsContact O-CE2 3.32Å; K465-Y468 WeakPolarHBondContact O-CE2 3.08Å; Y468-I485 HydrophobicContact CD1-CG2 3.82Å; Y468-I485 HydrophobicContact CD2-CG2 3.94Å; Y468-I485 HydrophobicContact CE1-CB 4.2Å; Y468-I485 HydrophobicContact CE1-CG2 3.87Å; Y468-I485 HydrophobicContact CE2-CB 4.1Å; Y468-I485 HydrophobicContact CE2-CG2 3.99Å; Y468-I485 HydrophobicContact CG-CG2 3.86Å; Y468-T486 PolarHBondContact OH-O 2.95Å; Y468-T557 HydrophobicContact CD2-CG2 3.94Å; Y468-T557 HydrophobicContact CE2-CG2 3.89Å; Y468-T558 PolarHBondContact N-O 2.85Å; Y468-V560 PolarHBondContact O-N 3.4Å
469	E	93.9	Very high	92.5	Very high	112 Å²	112	67.9 Å²	67.9	52%	0.523	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.9	176.3	-69.9	171.6	-152.9	0	0	108.1	R467 F471 V560	R467-E469 WeakPolarHBondContact CD-OE1 3.41Å; R467-E469 HydrophobicContact CG-CG 4.44Å; R467-E469 IonicContact CZ-OE1 2.84Å; R467-E469 IonicContact NE-OE1 2.96Å; R467-E469 PolarHBondContact NE-OE1 3Å; R467-E469 IonicContact NH1-OE1 3.28Å; R467-E469 PolarHBondContact NH1-OE1 2.66Å; E469-F471 HydrophobicContact CB-CE2 4.44Å; E469-V560 WeakPolarHBondContact CA-O 3.29Å
470	I	93.4	Very high	92.5	Very high	12 Å²	12	66.6 Å²	66.6	6%	0.062	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.8	-176.2	-50.5	173.1	0	0	0	107.8	L482 T483 V559 V560 L561 S562	I470-L482 HydrophobicContact CD1-CB 4.46Å; I470-L482 HydrophobicContact CG2-CB 4.3Å; I470-T483 HydrophobicContact CD1-CG2 3.41Å; I470-T483 VanDerWaalsContact CD1-CG2 3.41Å; I470-T483 HydrophobicContact CG1-CG2 3.93Å; I470-V559 HydrophobicContact CD1-CG1 3.42Å; I470-V559 VanDerWaalsContact CD1-CG1 3.42Å; I470-V559 HydrophobicContact CG1-CG1 4.1Å; I470-V560 PolarHBondContact N-O 3.49Å; I470-L561 HydrophobicContact CB-CD1 3.91Å; I470-L561 HydrophobicContact CG2-CD1 3.72Å; I470-L561 WeakPolarHBondContact O-CA 3.46Å; I470-S562 PolarHBondContact O-N 2.75Å
471	F	93.6	Very high	92.5	Very high	125 Å²	125	68.7 Å²	68.7	55%	0.548	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.8	173.2	-58.5	-82.1	0	0	0	109.4	E469 S562 L564	E469-F471 HydrophobicContact CB-CE2 4.44Å; F471-S562 WeakPolarHBondContact CA-O 3.5Å; F471-L564 HydrophobicContact CB-CD1 4.09Å; F471-L564 HydrophobicContact CB-CD2 4.39Å; F471-L564 HydrophobicContact CB-CG 4.26Å; F471-L564 HydrophobicContact CD1-CD2 4.13Å
472	K	93.7	Very high	92.3	Very high	56 Å²	56	69.6 Å²	69.6	24%	0.243	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	129.2	-177.4	-169.1	71.5	176	-169.1	0	109.7	Y481 L482 L561 S562 I563 L564	K472-Y481 PolarHBondContact NZ-O 2.76Å; K472-L482 HydrophobicContact CB-CD2 4.23Å; K472-L482 HydrophobicContact CD-CD2 3.58Å; K472-L482 HydrophobicContact CG-CD2 3.66Å; K472-L561 HydrophobicContact CB-CD1 3.83Å; K472-S562 PolarHBondContact N-O 2.84Å; K472-I563 CarbonylContact O-C 3.47Å; K472-I563 VanDerWaalsContact O-CA 3.29Å; K472-I563 WeakPolarHBondContact O-CA 3.32Å; K472-L564 PolarHBondContact O-N 3.07Å
473	S	91.8	Very high	92.2	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	146.8	166.1	-58.3	0	0	0	0	111.4	E566	S473-E566 WeakPolarHBondContact CB-OE1 3.49Å; S473-E566 PolarHBondContact OG-OE1 2.79Å
474	E	91.1	Very high	92.2	Very high	3 Å²	3	64 Å²	64	1%	0.014	36%	0.355	C	S	.	.	S	Bend	trans	-64.4	-176.8	160.4	66.7	-163.2	126.5	0	0	112.7	N476 F531 R533 I563 L564 D565 E566	E474-N476 PolarHBondContact O-N 3.27Å; E474-F531 WeakPolarHBondContact CB-O 3.17Å; E474-R533 HydrophobicContact CB-CB 4.35Å; E474-R533 VanDerWaalsContact CD-CB 3.49Å; E474-R533 WeakPolarHBondContact OE2-CB 2.93Å; E474-R533 PolarHBondContact OE2-N 3.19Å; E474-I563 HydrophobicContact CB-CG2 3.78Å; E474-L564 PolarHBondContact N-O 3.5Å; E474-L564 VanDerWaalsContact N-O 3.1Å; E474-D565 VanDerWaalsContact OE1-CA 3.27Å; E474-D565 WeakPolarHBondContact OE1-CA 3.33Å; E474-E566 HydrophobicContact CG-CB 4.3Å; E474-E566 PolarHBondContact OE1-N 2.78Å
475	N	90.1	Very high	92.3	Very high	88 Å²	88	58 Å²	58	47%	0.471	33%	0.327	S	S	.	.	S	Bend	trans	54.3	17.5	-175.5	-79.1	-60.4	0	0	0	114.5	F531 D568	N475-F531 PolarHBondContact N-O 3.2Å; N475-D568 PolarHBondContact ND2-OD2 3.01Å
476	N	91.5	Very high	92.4	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.07	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.3	145	-179.5	68.5	-85	0	0	0	111.8	E474 A480 R529 T530 F531	E474-N476 PolarHBondContact O-N 3.27Å; N476-A480 HydrophobicContact CB-CB 4.5Å; N476-R529 PolarHBondContact ND2-O 2.74Å; N476-T530 WeakPolarHBondContact O-CA 3.41Å; N476-T530 WeakPolarHBondContact O-CG2 3.35Å; N476-F531 WeakPolarHBondContact OD1-CB 3.46Å; N476-F531 WeakPolarHBondContact OD1-CD2 3.31Å; N476-F531 WeakPolarHBondContact OD1-CG 3.2Å; N476-F531 PolarHBondContact OD1-N 3.07Å
477	A	91.6	Very high	92.7	Very high	66 Å²	66	52.3 Å²	52.3	55%	0.545	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-57.5	140.4	170.8	0	0	0	0	0	111.5	A480	A477-A480 WeakPolarHBondContact O-CB 3.1Å; A477-A480 PolarHBondContact O-N 2.97Å; A477-A480 VanDerWaalsContact O-N 3.15Å
478	P	91.5	Very high	92.7	Very high	88 Å²	88	50.5 Å²	50.5	57%	0.571	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	140.6	168	29.1	-34.1	0	0	0	109.6	A480 L528	P478-A480 VanDerWaalsContact C-N 3.34Å; P478-L528 WeakPolarHBondContact CB-O 3.36Å
479	G	90.6	Very high	92.8	Very high	47 Å²	47	50.9 Å²	50.9	49%	0.485	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	3.2	-167.9	0	0	0	0	0	114.4	Y481 A527	G479-Y481 PolarHBondContact O-N 3Å; G479-A527 VanDerWaalsContact CA-O 3.24Å; G479-A527 WeakPolarHBondContact CA-O 3.36Å; G479-A527 PolarHBondContact N-O 2.98Å
480	A	92.4	Very high	92.8	Very high	19 Å²	19	48.6 Å²	48.6	16%	0.157	29%	0.29	C	S	.	.			trans	-66.5	128.8	179.3	0	0	0	0	0	112.3	N476 A477 P478 Y526 A527	N476-A480 HydrophobicContact CB-CB 4.5Å; A477-A480 WeakPolarHBondContact O-CB 3.1Å; A477-A480 PolarHBondContact O-N 2.97Å; A477-A480 VanDerWaalsContact O-N 3.15Å; P478-A480 VanDerWaalsContact C-N 3.34Å; A480-Y526 WeakPolarHBondContact O-CA 3.23Å; A480-A527 PolarHBondContact O-N 3.13Å
481	Y	94.1	Very high	92.9	Very high	111 Å²	111	48.5 Å²	48.5	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	141.7	169.4	176.3	-101.6	0	0	0	111.4	K472 G479 T483 S484 A524 Y526	K472-Y481 PolarHBondContact NZ-O 2.76Å; G479-Y481 PolarHBondContact O-N 3Å; Y481-T483 VanDerWaalsContact CE2-C 3.48Å; Y481-T483 WeakPolarHBondContact CE2-O 3.28Å; Y481-T483 VanDerWaalsContact CZ-C 3.41Å; Y481-S484 PolarHBondContact OH-N 2.9Å; Y481-S484 PolarHBondContact OH-OG 3Å; Y481-A524 HydrophobicContact CD2-CB 4.37Å; Y481-A524 HydrophobicContact CE2-CB 4Å; Y481-Y526 HydrophobicContact CD2-CD1 4.43Å; Y481-Y526 AromaticContact CD2-CE1 3.99Å; Y481-Y526 HydrophobicContact CD2-CE1 3.99Å
482	L	93.1	Very high	92.9	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-58.8	179.7	-62	-176.4	0	0	0	111.3	I470 K472 V516 I525 A527 F531 L561	I470-L482 HydrophobicContact CD1-CB 4.46Å; I470-L482 HydrophobicContact CG2-CB 4.3Å; K472-L482 HydrophobicContact CB-CD2 4.23Å; K472-L482 HydrophobicContact CD-CD2 3.58Å; K472-L482 HydrophobicContact CG-CD2 3.66Å; L482-V516 HydrophobicContact CD1-CG1 3.72Å; L482-I525 HydrophobicContact CD1-CG2 4.19Å; L482-I525 PolarHBondContact N-O 3.06Å; L482-A527 HydrophobicContact CD1-CB 4.22Å; L482-A527 HydrophobicContact CD2-CB 4.17Å; L482-A527 HydrophobicContact CG-CB 4.27Å; L482-F531 HydrophobicContact CD1-CE2 4.4Å; L482-F531 HydrophobicContact CD1-CZ 4.47Å; L482-F531 HydrophobicContact CD2-CE2 4.29Å; L482-L561 HydrophobicContact CD1-CD1 4.39Å; L482-L561 HydrophobicContact CD1-CD2 3.91Å
483	T	92.5	Very high	92.8	Very high	39 Å²	39	50.5 Å²	50.5	24%	0.239	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	171.6	175.3	-158.9	0	0	0	0	109.5	I470 Y481 I485 I525	I470-T483 HydrophobicContact CD1-CG2 3.41Å; I470-T483 VanDerWaalsContact CD1-CG2 3.41Å; I470-T483 HydrophobicContact CG1-CG2 3.93Å; Y481-T483 VanDerWaalsContact CE2-C 3.48Å; Y481-T483 WeakPolarHBondContact CE2-O 3.28Å; Y481-T483 VanDerWaalsContact CZ-C 3.41Å; T483-I485 HydrophobicContact CG2-CG2 4.12Å; T483-I525 HydrophobicContact CG2-CD1 4.17Å; T483-I525 PolarHBondContact O-N 2.83Å
484	S	92.8	Very high	92.8	Very high	52 Å²	52	50.7 Å²	50.7	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.8	161.1	48.4	0	0	0	0	108.9	Y481 G523	Y481-S484 PolarHBondContact OH-N 2.9Å; Y481-S484 PolarHBondContact OH-OG 3Å; S484-G523 WeakPolarHBondContact CA-O 3.37Å
485	I	94.1	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.32	C	S	.	.			trans	-110.9	149.7	169.4	68.8	172.8	0	0	0	110.1	F463 Y468 T483 Y500 I518 G523 I525 V543 T557	F463-I485 HydrophobicContact CD1-CD1 4.27Å; F463-I485 HydrophobicContact CE1-CD1 3.48Å; F463-I485 VanDerWaalsContact CE1-CD1 3.48Å; F463-I485 HydrophobicContact CE1-CG1 4.07Å; F463-I485 HydrophobicContact CZ-CD1 4.14Å; Y468-I485 HydrophobicContact CD1-CG2 3.82Å; Y468-I485 HydrophobicContact CD2-CG2 3.94Å; Y468-I485 HydrophobicContact CE1-CB 4.2Å; Y468-I485 HydrophobicContact CE1-CG2 3.87Å; Y468-I485 HydrophobicContact CE2-CB 4.1Å; Y468-I485 HydrophobicContact CE2-CG2 3.99Å; Y468-I485 HydrophobicContact CG-CG2 3.86Å; T483-I485 HydrophobicContact CG2-CG2 4.12Å; I485-Y500 HydrophobicContact CG1-CD1 4.38Å; I485-I518 HydrophobicContact CD1-CD1 4.11Å; I485-I518 HydrophobicContact CG1-CD1 4.13Å; I485-G523 PolarHBondContact N-O 2.92Å; I485-I525 HydrophobicContact CG2-CD1 4.03Å; I485-V543 HydrophobicContact CD1-CB 3.65Å; I485-V543 HydrophobicContact CD1-CG1 3.49Å; I485-V543 VanDerWaalsContact CD1-CG1 3.49Å; I485-V543 HydrophobicContact CD1-CG2 4.06Å; I485-T557 HydrophobicContact CD1-CG2 4Å
486	T	93.9	Very high	92.9	Very high	51 Å²	51	48.7 Å²	48.7	31%	0.313	31%	0.307	S	S	.	.			trans	-128.4	133.1	-174.6	31.5	0	0	0	0	109.8	F463 E464 Y468	F463-T486 WeakPolarHBondContact CA-O 3.13Å; F463-T486 WeakPolarHBondContact CD1-O 3.41Å; E464-T486 PolarHBondContact N-O 3.2Å; E464-T486 WeakPolarHBondContact OE1-CB 3.49Å; E464-T486 PolarHBondContact OE1-OG1 2.87Å; Y468-T486 PolarHBondContact OH-O 2.95Å
487	A	94.4	Very high	93	Very high	8 Å²	8	54 Å²	54	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.9	164.2	0	0	0	0	0	108.9	R462 F463 V498 Y500 A545	R462-A487 CarbonylContact O-C 3.54Å; R462-A487 WeakPolarHBondContact O-CA 3.4Å; F463-A487 HydrophobicContact CD1-CB 3.74Å; F463-A487 HydrophobicContact CE1-CB 3.99Å; F463-A487 HydrophobicContact CG-CB 4.02Å; A487-V498 HydrophobicContact CB-CG1 4.18Å; A487-Y500 HydrophobicContact CB-CE1 4Å; A487-Y500 PolarHBondContact N-OH 2.7Å; A487-Y500 PolarHBondContact O-OH 2.99Å; A487-A545 HydrophobicContact CB-CB 3.74Å
488	T	93.9	Very high	93.2	Very high	94 Å²	94	52.2 Å²	52.2	58%	0.577	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.2	178	54	0	0	0	0	109	R462	R462-T488 PolarHBondContact N-O 2.97Å; R462-T488 PolarHBondContact O-N 3.22Å
489	D	95.8	Very high	93.3	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.123	30%	0.3	C	S	.	.			trans	-116.4	134.8	173.5	-157.8	-62.4	0	0	0	107.8	P461 D491 V498	P461-D489 WeakPolarHBondContact CA-OD2 3.49Å; P461-D489 WeakPolarHBondContact CD-OD2 3.5Å; P461-D489 WeakPolarHBondContact CG-OD2 3.43Å; D489-D491 WeakPolarHBondContact OD1-CB 3.27Å; D489-D491 PolarHBondContact OD1-N 2.84Å; D489-D491 VanDerWaalsContact OD1-N 3.13Å; D489-V498 HydrophobicContact CB-CG2 3.68Å
490	P	94.1	Very high	93.6	Very high	65 Å²	65	48.8 Å²	48.8	42%	0.422	28%	0.281	S	S	.	.			trans	-82.5	-18.6	-179.1	35.2	-36.7	0	0	0	113.5	R423 E424 N459	R423-P490 PolarHBondContact NH2-O 2.96Å; E424-P490 HydrophobicContact CG-CB 3.85Å; E424-P490 HydrophobicContact CG-CG 4.13Å; N459-P490 HydrophobicContact CB-CG 3.46Å; N459-P490 VanDerWaalsContact CB-CG 3.46Å; N459-P490 VanDerWaalsContact CG-CG 3.47Å
491	D	95.5	Very high	93.7	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.053	29%	0.29	C	S	.	.	S	Bend	trans	-68.8	169.2	-173.7	-61.2	2.3	0	0	0	111.4	N457 D458 N459 D489 N495 G496	N457-D491 WeakPolarHBondContact CA-OD2 3.36Å; D458-D491 PolarHBondContact N-OD2 2.76Å; D458-D491 VanDerWaalsContact N-OD2 3.12Å; N459-D491 VanDerWaalsContact CB-OD1 3.28Å; N459-D491 WeakPolarHBondContact CB-OD1 3.26Å; N459-D491 PolarHBondContact N-OD2 3.35Å; N459-D491 PolarHBondContact ND2-OD1 3.48Å; D489-D491 WeakPolarHBondContact OD1-CB 3.27Å; D489-D491 PolarHBondContact OD1-N 2.84Å; D489-D491 VanDerWaalsContact OD1-N 3.13Å; D491-N495 HydrophobicContact CB-CB 3.66Å; D491-G496 WeakPolarHBondContact O-CA 3.38Å; D491-G496 PolarHBondContact O-N 2.81Å
492	L	92.8	Very high	93.7	Very high	83 Å²	83	46.6 Å²	46.6	44%	0.435	28%	0.277	S	S	.	.			trans	-93.7	154.2	-171.2	-160.3	59.4	0	0	0	113.5	D455 A494 N495 G496	D455-L492 HydrophobicContact CB-CB 3.84Å; D455-L492 VanDerWaalsContact CG-N 3.26Å; D455-L492 WeakPolarHBondContact OD1-CB 3.37Å; D455-L492 PolarHBondContact OD1-N 3.35Å; D455-L492 PolarHBondContact OD2-N 3.47Å; D455-L492 VanDerWaalsContact OD2-N 3.16Å; L492-A494 PolarHBondContact O-N 2.6Å; L492-N495 WeakPolarHBondContact O-CB 3.33Å; L492-N495 PolarHBondContact O-N 2.84Å; L492-G496 PolarHBondContact O-N 3.31Å; L492-G496 VanDerWaalsContact O-N 3.16Å
493	D	90.7	Very high	93.7	Very high	140 Å²	140	48.4 Å²	48.4	75%	0.749	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	-103.5	171.8	-70.1	-31.9	0	0	0	114.5	Q497	D493-Q497 WeakPolarHBondContact O-CB 3.42Å; D493-Q497 PolarHBondContact O-N 2.95Å
494	A	92.1	Very high	93.5	Very high	45 Å²	45	51.5 Å²	51.5	37%	0.372	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-27	-177	0	0	0	0	0	113.3	L492 Q497 A548	L492-A494 PolarHBondContact O-N 2.6Å; A494-Q497 PolarHBondContact O-N 3.08Å; A494-A548 HydrophobicContact CB-CB 4.44Å; A494-A548 CarbonylContact O-C 3.48Å; A494-A548 WeakPolarHBondContact O-CA 3.42Å; A494-A548 VanDerWaalsContact O-CB 3.31Å; A494-A548 WeakPolarHBondContact O-CB 3.14Å; A494-A548 PolarHBondContact O-N 2.89Å; A494-A548 VanDerWaalsContact O-N 3.16Å
495	N	92.1	Very high	93.2	Very high	31 Å²	31	52.4 Å²	52.4	17%	0.166	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-47.6	176.5	-61.8	-14.7	0	0	0	108.5	D455 N457 D491 L492 Q497 D547	D455-N495 WeakPolarHBondContact OD2-CB 3.45Å; D455-N495 PolarHBondContact OD2-ND2 2.94Å; N457-N495 HydrophobicContact CB-CB 4.04Å; N457-N495 WeakPolarHBondContact OD1-CA 3.41Å; N457-N495 WeakPolarHBondContact OD1-CB 3.13Å; N457-N495 VanDerWaalsContact OD1-CG 3.26Å; N457-N495 PolarHBondContact OD1-OD1 3.18Å; D491-N495 HydrophobicContact CB-CB 3.66Å; L492-N495 WeakPolarHBondContact O-CB 3.33Å; L492-N495 PolarHBondContact O-N 2.84Å; N495-Q497 PolarHBondContact O-N 2.9Å; N495-D547 WeakPolarHBondContact O-CB 3.3Å
496	G	91.9	Very high	92.8	Very high	19 Å²	19	59.2 Å²	59.2	20%	0.196	33%	0.329	C	S	.	.	S	Bend	trans	-66.2	-6.5	170.5	0	0	0	0	0	116.2	D491 L492 V498	D491-G496 WeakPolarHBondContact O-CA 3.38Å; D491-G496 PolarHBondContact O-N 2.81Å; L492-G496 PolarHBondContact O-N 3.31Å; L492-G496 VanDerWaalsContact O-N 3.16Å; G496-V498 PolarHBondContact O-N 2.96Å
497	Q	93.9	Very high	92.2	Very high	124 Å²	124	57.6 Å²	57.6	58%	0.579	32%	0.318	S	S	*	.			trans	-81.8	85.3	-172.4	-167.8	170.7	26.3	0	0	113	D493 A494 N495 S499 D547 A548	D493-Q497 WeakPolarHBondContact O-CB 3.42Å; D493-Q497 PolarHBondContact O-N 2.95Å; A494-Q497 PolarHBondContact O-N 3.08Å; N495-Q497 PolarHBondContact O-N 2.9Å; Q497-S499 PolarHBondContact O-N 3.16Å; Q497-D547 CarbonylContact O-C 3.35Å; Q497-D547 WeakPolarHBondContact O-CA 3.3Å; Q497-A548 HydrophobicContact CB-CB 4.25Å; Q497-A548 PolarHBondContact O-N 2.97Å
498	V	94.6	Very high	91.3	Very high	28 Å²	28	64 Å²	64	17%	0.17	35%	0.347	C	S	.	.			trans	-63.3	131.9	175.6	-172	0	0	0	0	112.7	P461 A487 D489 G496 Y500 A545	P461-V498 HydrophobicContact CB-CG1 4.23Å; P461-V498 HydrophobicContact CB-CG2 3.99Å; P461-V498 HydrophobicContact CG-CG2 4.39Å; A487-V498 HydrophobicContact CB-CG1 4.18Å; D489-V498 HydrophobicContact CB-CG2 3.68Å; G496-V498 PolarHBondContact O-N 2.96Å; V498-Y500 HydrophobicContact CG1-CE1 4.04Å; V498-Y500 HydrophobicContact CG1-CE2 4.06Å; V498-A545 HydrophobicContact CG1-CB 3.93Å
499	S	95.1	Very high	90.5	Very high	44 Å²	44	62.9 Å²	62.9	31%	0.308	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.7	168.7	66.3	0	0	0	0	111	Q497 P520 A545 K546	Q497-S499 PolarHBondContact O-N 3.16Å; S499-P520 WeakPolarHBondContact CA-O 3.2Å; S499-A545 WeakPolarHBondContact O-CA 3.32Å; S499-K546 WeakPolarHBondContact CA-O 3.42Å; S499-K546 PolarHBondContact N-O 2.86Å; S499-K546 PolarHBondContact O-N 2.75Å; S499-K546 PolarHBondContact OG-O 2.92Å
500	Y	95.9	Very high	89.9	Confident	20 Å²	20	63.9 Å²	63.9	8%	0.078	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.5	-174.9	-56.3	-89.3	0	0	0	112.9	F463 I485 A487 V498 I518 P520 Q544 A545	F463-Y500 HydrophobicContact CE1-CD1 4.13Å; F463-Y500 AromaticContact CE1-CE1 3.96Å; F463-Y500 HydrophobicContact CE1-CE1 3.96Å; F463-Y500 HydrophobicContact CZ-CD1 4.46Å; I485-Y500 HydrophobicContact CG1-CD1 4.38Å; A487-Y500 HydrophobicContact CB-CE1 4Å; A487-Y500 PolarHBondContact N-OH 2.7Å; A487-Y500 PolarHBondContact O-OH 2.99Å; V498-Y500 HydrophobicContact CG1-CE1 4.04Å; V498-Y500 HydrophobicContact CG1-CE2 4.06Å; Y500-I518 HydrophobicContact CG-CD1 4.46Å; Y500-P520 PolarHBondContact N-O 2.85Å; Y500-P520 WeakPolarHBondContact O-CA 2.87Å; Y500-P520 WeakPolarHBondContact O-CB 3.18Å; Y500-Q544 WeakPolarHBondContact CA-O 3.33Å; Y500-A545 HydrophobicContact CD1-CB 4.36Å; Y500-A545 HydrophobicContact CE1-CB 4.37Å
501	S	95.1	Very high	89.6	Confident	48 Å²	48	61.7 Å²	61.7	34%	0.336	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	144.9	174	61.8	0	0	0	0	112.3	V543 Q544	S501-V543 CarbonylContact O-C 3.58Å; S501-V543 WeakPolarHBondContact O-CA 3.32Å; S501-V543 VanDerWaalsContact O-CG1 3.29Å; S501-V543 WeakPolarHBondContact O-CG1 3.46Å; S501-Q544 PolarHBondContact N-O 2.6Å; S501-Q544 PolarHBondContact O-N 2.93Å
502	I	94.4	Very high	89.3	Confident	35 Å²	35	61.3 Å²	61.3	18%	0.179	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.2	171.5	-67.2	156.7	0	0	0	108.1	I512 V516 I518 F541 V543	I502-I512 HydrophobicContact CG2-CG1 3.87Å; I502-I512 HydrophobicContact CG2-CG2 3.76Å; I502-V516 HydrophobicContact CD1-CG2 4.05Å; I502-I518 HydrophobicContact CD1-CB 3.93Å; I502-I518 HydrophobicContact CD1-CG2 3.96Å; I502-I518 HydrophobicContact CG1-CB 4.12Å; I502-I518 HydrophobicContact CG1-CG2 3.8Å; I502-F541 HydrophobicContact CD1-CE2 4.32Å; I502-F541 HydrophobicContact CG1-CD2 4.15Å; I502-F541 HydrophobicContact CG1-CE2 4.17Å; I502-F541 HydrophobicContact CG2-CD2 4.01Å; I502-V543 HydrophobicContact CG1-CG2 4.15Å
503	L	92.1	Very high	89.1	Confident	57 Å²	57	60.4 Å²	60.4	30%	0.298	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-74.8	130.1	173.3	-63.9	-176.1	0	0	0	110	N505 I542 Q544	L503-N505 PolarHBondContact O-N 2.57Å; L503-I542 HydrophobicContact CB-CB 4.39Å; L503-I542 HydrophobicContact CD1-CB 4.25Å; L503-I542 HydrophobicContact CD1-CG2 3.79Å; L503-I542 HydrophobicContact CG-CG2 4.39Å; L503-I542 PolarHBondContact N-O 2.87Å; L503-Q544 HydrophobicContact CD1-CB 4.46Å; L503-Q544 HydrophobicContact CD2-CB 3.93Å; L503-Q544 HydrophobicContact CG-CB 4.04Å
504	E	88.8	Confident	89.1	Confident	104 Å²	104	56.6 Å²	56.6	49%	0.486	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-64.2	127.9	-174.2	-173.7	53.5	-115.3	0	0	111.8	S511 I512	E504-S511 WeakPolarHBondContact OE1-CB 3.45Å; E504-S511 PolarHBondContact OE1-OG 3.01Å; E504-S511 PolarHBondContact OE2-OG 3.49Å; E504-I512 PolarHBondContact OE1-N 2.81Å
505	N	87.3	Confident	89	Confident	72 Å²	72	54.6 Å²	54.6	39%	0.385	31%	0.313	S	S	.	.			trans	-150.2	150.1	-174.6	-173.8	27.1	0	0	0	110	L503 I512	L503-N505 PolarHBondContact O-N 2.57Å; N505-I512 HydrophobicContact CB-CG2 4.36Å; N505-I512 WeakPolarHBondContact O-CB 3.24Å; N505-I512 PolarHBondContact O-N 3.49Å
506	F	85.6	Confident	89	Confident	143 Å²	143	53.2 Å²	53.2	63%	0.627	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.8	-177.3	-69.6	-88.7	0	0	0	111.8	S510	F506-S510 CarbonylContact C-O 3.54Å; F506-S510 WeakPolarHBondContact CA-O 3.13Å
507	I	80.9	Confident	89.1	Confident	16 Å²	16	55 Å²	55	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.4	178.4	-63.3	178.9	0	0	0	107.4	G509 S510 I512 Y515 V536 I539	I507-G509 PolarHBondContact O-N 3.03Å; I507-S510 PolarHBondContact N-O 3.07Å; I507-S510 PolarHBondContact O-N 2.86Å; I507-S510 VanDerWaalsContact O-O 3.12Å; I507-I512 HydrophobicContact CD1-CD1 3.78Å; I507-Y515 HydrophobicContact CB-CE2 4.05Å; I507-Y515 HydrophobicContact CG2-CE2 4.29Å; I507-Y515 PolarHBondContact O-OH 3.23Å; I507-V536 HydrophobicContact CG2-CG1 4.33Å; I507-I539 HydrophobicContact CD1-CB 4.4Å; I507-I539 HydrophobicContact CD1-CG2 3.67Å
508	H	74.4	Confident	89.2	Confident	143 Å²	143	49.9 Å²	49.9	66%	0.662	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	31.2	-178.8	-70.6	-127.6	0	0	0	113.8	S510 V536	H508-S510 VanDerWaalsContact C-N 3.31Å; H508-S510 PolarHBondContact O-N 2.86Å; H508-V536 HydrophobicContact CB-CG2 4.43Å
509	G	76.9	Confident	89.3	Confident	71 Å²	71	50.8 Å²	50.8	73%	0.732	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-6.8	-178.3	0	0	0	0	0	115.3	I507	I507-G509 PolarHBondContact O-N 3.03Å
510	S	83.3	Confident	89.2	Confident	43 Å²	43	52.3 Å²	52.3	30%	0.301	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150	172.3	-72.6	0	0	0	0	111.6	F506 I507 H508	F506-S510 CarbonylContact C-O 3.54Å; F506-S510 WeakPolarHBondContact CA-O 3.13Å; I507-S510 PolarHBondContact N-O 3.07Å; I507-S510 PolarHBondContact O-N 2.86Å; I507-S510 VanDerWaalsContact O-O 3.12Å; H508-S510 VanDerWaalsContact C-N 3.31Å; H508-S510 PolarHBondContact O-N 2.86Å
511	S	87.8	Confident	89.1	Confident	20 Å²	20	55.7 Å²	55.7	14%	0.14	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.9	173.6	156.8	0	0	0	0	111.4	E504 S513 T514	E504-S511 WeakPolarHBondContact OE1-CB 3.45Å; E504-S511 PolarHBondContact OE1-OG 3.01Å; E504-S511 PolarHBondContact OE2-OG 3.49Å; S511-S513 PolarHBondContact O-N 3.4Å; S511-S513 PolarHBondContact OG-N 2.98Å; S511-S513 PolarHBondContact OG-OG 2.82Å; S511-T514 WeakPolarHBondContact O-CB 3.35Å; S511-T514 PolarHBondContact O-N 2.93Å; S511-T514 PolarHBondContact O-OG1 2.75Å
512	I	90.6	Very high	88.9	Confident	1 Å²	1	57 Å²	57	1%	0.005	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-57.2	-34	176.7	-173.6	63.9	0	0	0	112.4	I502 E504 N505 I507 T514 Y515 V516 I539 F541	I502-I512 HydrophobicContact CG2-CG1 3.87Å; I502-I512 HydrophobicContact CG2-CG2 3.76Å; E504-I512 PolarHBondContact OE1-N 2.81Å; N505-I512 HydrophobicContact CB-CG2 4.36Å; N505-I512 WeakPolarHBondContact O-CB 3.24Å; N505-I512 PolarHBondContact O-N 3.49Å; I507-I512 HydrophobicContact CD1-CD1 3.78Å; I512-T514 PolarHBondContact O-N 2.91Å; I512-Y515 PolarHBondContact O-N 3.1Å; I512-V516 HydrophobicContact CD1-CG2 3.62Å; I512-V516 HydrophobicContact CG1-CG2 3.82Å; I512-V516 PolarHBondContact O-N 3.45Å; I512-V516 VanDerWaalsContact O-N 3.09Å; I512-I539 HydrophobicContact CD1-CG2 3.84Å; I512-F541 HydrophobicContact CD1-CB 3.67Å; I512-F541 HydrophobicContact CD1-CD1 3.9Å; I512-F541 HydrophobicContact CD1-CG 3.87Å; I512-F541 HydrophobicContact CG1-CB 3.7Å; I512-F541 HydrophobicContact CG1-CG 4.09Å
513	S	88.6	Confident	88.8	Confident	64 Å²	64	55.3 Å²	55.3	45%	0.448	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.4	-7.5	175.4	72.8	0	0	0	0	114.3	S511 L528	S511-S513 PolarHBondContact O-N 3.4Å; S511-S513 PolarHBondContact OG-N 2.98Å; S511-S513 PolarHBondContact OG-OG 2.82Å; S513-L528 WeakPolarHBondContact O-CD1 3.48Å
514	T	89.3	Confident	89	Confident	61 Å²	61	52.8 Å²	52.8	37%	0.374	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-104	-4.4	173.7	73.6	0	0	0	0	113.7	S511 I512 R529	S511-T514 WeakPolarHBondContact O-CB 3.35Å; S511-T514 PolarHBondContact O-N 2.93Å; S511-T514 PolarHBondContact O-OG1 2.75Å; I512-T514 PolarHBondContact O-N 2.91Å; T514-R529 PolarHBondContact O-NE 3.08Å; T514-R529 PolarHBondContact O-NH2 2.83Å; T514-R529 PolarHBondContact OG1-NH2 2.72Å
515	Y	90.2	Very high	89.3	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.012	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-46.5	171.7	-71.5	-89.9	0	0	0	110.9	I507 I512 L528 R529 F531 I539	I507-Y515 HydrophobicContact CB-CE2 4.05Å; I507-Y515 HydrophobicContact CG2-CE2 4.29Å; I507-Y515 PolarHBondContact O-OH 3.23Å; I512-Y515 PolarHBondContact O-N 3.1Å; Y515-L528 PolarHBondContact O-N 3.12Å; Y515-R529 HydrophobicContact CD1-CG 4.4Å; Y515-F531 HydrophobicContact CD1-CD1 4.41Å; Y515-F531 HydrophobicContact CD1-CE1 4.13Å; Y515-I539 HydrophobicContact CD1-CD1 3.52Å; Y515-I539 HydrophobicContact CE1-CD1 4.04Å; Y515-I539 HydrophobicContact CG-CD1 4.17Å
516	V	93.4	Very high	89.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.6	-172.9	-72.8	0	0	0	0	111.7	L482 I502 I512 I525 Y526 F531 F541	L482-V516 HydrophobicContact CD1-CG1 3.72Å; I502-V516 HydrophobicContact CD1-CG2 4.05Å; I512-V516 HydrophobicContact CD1-CG2 3.62Å; I512-V516 HydrophobicContact CG1-CG2 3.82Å; I512-V516 PolarHBondContact O-N 3.45Å; I512-V516 VanDerWaalsContact O-N 3.09Å; V516-I525 HydrophobicContact CB-CG2 4.29Å; V516-I525 HydrophobicContact CG1-CG2 4.4Å; V516-Y526 CarbonylContact C-O 3.59Å; V516-Y526 VanDerWaalsContact CA-O 3.26Å; V516-Y526 WeakPolarHBondContact CA-O 3.29Å; V516-F531 HydrophobicContact CG1-CZ 4.22Å; V516-F541 HydrophobicContact CG2-CD1 4.43Å; V516-F541 HydrophobicContact CG2-CD2 4.46Å; V516-F541 HydrophobicContact CG2-CE1 4.14Å; V516-F541 HydrophobicContact CG2-CE2 4.17Å; V516-F541 HydrophobicContact CG2-CZ 4Å
517	T	94.3	Very high	90	Very high	58 Å²	58	41.5 Å²	41.5	36%	0.356	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.5	167.4	-170.9	0	0	0	0	110.1	I525 Y526 L528	T517-I525 WeakPolarHBondContact O-CA 3.46Å; T517-Y526 HydrophobicContact CG2-CD2 4.48Å; T517-Y526 PolarHBondContact N-O 2.88Å; T517-Y526 PolarHBondContact O-N 3.06Å; T517-L528 HydrophobicContact CG2-CD1 4.43Å; T517-L528 HydrophobicContact CG2-CD2 3.76Å; T517-L528 HydrophobicContact CG2-CG 4.04Å
518	I	95.7	Very high	90.6	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.077	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.9	173	-166.8	164.7	0	0	0	109.9	I485 Y500 I502 A524 I525 V543	I485-I518 HydrophobicContact CD1-CD1 4.11Å; I485-I518 HydrophobicContact CG1-CD1 4.13Å; Y500-I518 HydrophobicContact CG-CD1 4.46Å; I502-I518 HydrophobicContact CD1-CB 3.93Å; I502-I518 HydrophobicContact CD1-CG2 3.96Å; I502-I518 HydrophobicContact CG1-CB 4.12Å; I502-I518 HydrophobicContact CG1-CG2 3.8Å; I518-A524 CarbonylContact C-O 3.56Å; I518-A524 WeakPolarHBondContact CA-O 3.34Å; I518-I525 HydrophobicContact CB-CG1 4.43Å; I518-I525 HydrophobicContact CD1-CD1 4.36Å; I518-I525 HydrophobicContact CD1-CG1 3.85Å; I518-I525 HydrophobicContact CG1-CG1 3.99Å; I518-V543 HydrophobicContact CD1-CG1 3.55Å
519	D	95	Very high	91.3	Very high	48 Å²	48	40.5 Å²	40.5	26%	0.257	25%	0.249	S	C	.	.			trans	-74.4	118.2	167.5	-175.3	-37.2	0	0	0	109.3	S521 N522 G523 A524 Y526	D519-S521 PolarHBondContact O-N 2.76Å; D519-S521 VanDerWaalsContact O-N 3.17Å; D519-S521 WeakPolarHBondContact OD1-CB 3.29Å; D519-S521 PolarHBondContact OD1-N 2.96Å; D519-S521 PolarHBondContact OD1-OG 2.85Å; D519-N522 WeakPolarHBondContact CB-OD1 3.31Å; D519-N522 PolarHBondContact OD1-ND2 3.41Å; D519-N522 PolarHBondContact OD2-ND2 3.32Å; D519-G523 PolarHBondContact O-N 2.8Å; D519-A524 HydrophobicContact CB-CB 4.38Å; D519-A524 PolarHBondContact N-O 3.2Å; D519-Y526 HydrophobicContact CB-CE2 4.44Å
520	P	94.3	Very high	92	Very high	76 Å²	76	40.9 Å²	40.9	49%	0.494	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.7	-175.1	30.1	-36.8	0	0	0	113.8	S499 Y500	S499-P520 WeakPolarHBondContact CA-O 3.2Å; Y500-P520 PolarHBondContact N-O 2.85Å; Y500-P520 WeakPolarHBondContact O-CA 2.87Å; Y500-P520 WeakPolarHBondContact O-CB 3.18Å
521	S	92.4	Very high	92.4	Very high	90 Å²	90	39 Å²	39	63%	0.629	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-24.9	-176	71.4	0	0	0	0	114.6	D519	D519-S521 PolarHBondContact O-N 2.76Å; D519-S521 VanDerWaalsContact O-N 3.17Å; D519-S521 WeakPolarHBondContact OD1-CB 3.29Å; D519-S521 PolarHBondContact OD1-N 2.96Å; D519-S521 PolarHBondContact OD1-OG 2.85Å
522	N	92.2	Very high	92.5	Very high	75 Å²	75	41.9 Å²	41.9	40%	0.401	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	1.2	-172.7	60.7	56.7	0	0	0	114.3	D519 A524	D519-N522 WeakPolarHBondContact CB-OD1 3.31Å; D519-N522 PolarHBondContact OD1-ND2 3.41Å; D519-N522 PolarHBondContact OD2-ND2 3.32Å; N522-A524 PolarHBondContact O-N 2.96Å; N522-A524 WeakPolarHBondContact OD1-CB 3.46Å; N522-A524 PolarHBondContact OD1-N 3.14Å
523	G	92.4	Very high	92.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.			trans	70.4	11.9	174.5	0	0	0	0	0	115	S484 I485 D519 I525	S484-G523 WeakPolarHBondContact CA-O 3.37Å; I485-G523 PolarHBondContact N-O 2.92Å; D519-G523 PolarHBondContact O-N 2.8Å; G523-I525 PolarHBondContact O-N 2.86Å
524	A	94.9	Very high	92.7	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.5	174.9	0	0	0	0	0	111.5	Y481 I518 D519 N522 Y526	Y481-A524 HydrophobicContact CD2-CB 4.37Å; Y481-A524 HydrophobicContact CE2-CB 4Å; I518-A524 CarbonylContact C-O 3.56Å; I518-A524 WeakPolarHBondContact CA-O 3.34Å; D519-A524 HydrophobicContact CB-CB 4.38Å; D519-A524 PolarHBondContact N-O 3.2Å; N522-A524 PolarHBondContact O-N 2.96Å; N522-A524 WeakPolarHBondContact OD1-CB 3.46Å; N522-A524 PolarHBondContact OD1-N 3.14Å; A524-Y526 HydrophobicContact CB-CE2 3.57Å; A524-Y526 WeakPolarHBondContact O-CD2 3.46Å; A524-Y526 WeakPolarHBondContact O-CE2 3.38Å
525	I	95.4	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.9	-179.4	-53.8	178.6	0	0	0	109.4	L482 T483 I485 V516 T517 I518 G523 F541 V543 V559	L482-I525 HydrophobicContact CD1-CG2 4.19Å; L482-I525 PolarHBondContact N-O 3.06Å; T483-I525 HydrophobicContact CG2-CD1 4.17Å; T483-I525 PolarHBondContact O-N 2.83Å; I485-I525 HydrophobicContact CG2-CD1 4.03Å; V516-I525 HydrophobicContact CB-CG2 4.29Å; V516-I525 HydrophobicContact CG1-CG2 4.4Å; T517-I525 WeakPolarHBondContact O-CA 3.46Å; I518-I525 HydrophobicContact CB-CG1 4.43Å; I518-I525 HydrophobicContact CD1-CD1 4.36Å; I518-I525 HydrophobicContact CD1-CG1 3.85Å; I518-I525 HydrophobicContact CG1-CG1 3.99Å; G523-I525 PolarHBondContact O-N 2.86Å; I525-F541 HydrophobicContact CD1-CE2 4.22Å; I525-F541 HydrophobicContact CD1-CZ 4.26Å; I525-F541 HydrophobicContact CG2-CZ 4.16Å; I525-V543 HydrophobicContact CD1-CG2 4.49Å; I525-V559 HydrophobicContact CD1-CG1 4.44Å; I525-V559 HydrophobicContact CD1-CG2 4.19Å
526	Y	94.6	Very high	92.5	Very high	82 Å²	82	45.2 Å²	45.2	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.6	-179.2	-56.8	-92.7	0	0	0	110.9	A480 Y481 V516 T517 D519 A524	A480-Y526 WeakPolarHBondContact O-CA 3.23Å; Y481-Y526 HydrophobicContact CD2-CD1 4.43Å; Y481-Y526 AromaticContact CD2-CE1 3.99Å; Y481-Y526 HydrophobicContact CD2-CE1 3.99Å; V516-Y526 CarbonylContact C-O 3.59Å; V516-Y526 VanDerWaalsContact CA-O 3.26Å; V516-Y526 WeakPolarHBondContact CA-O 3.29Å; T517-Y526 HydrophobicContact CG2-CD2 4.48Å; T517-Y526 PolarHBondContact N-O 2.88Å; T517-Y526 PolarHBondContact O-N 3.06Å; D519-Y526 HydrophobicContact CB-CE2 4.44Å; A524-Y526 HydrophobicContact CB-CE2 3.57Å; A524-Y526 WeakPolarHBondContact O-CD2 3.46Å; A524-Y526 WeakPolarHBondContact O-CE2 3.38Å
527	A	94.4	Very high	92.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.9	168	0	0	0	0	0	110	G479 A480 L482 F531	G479-A527 VanDerWaalsContact CA-O 3.24Å; G479-A527 WeakPolarHBondContact CA-O 3.36Å; G479-A527 PolarHBondContact N-O 2.98Å; A480-A527 PolarHBondContact O-N 3.13Å; L482-A527 HydrophobicContact CD1-CB 4.22Å; L482-A527 HydrophobicContact CD2-CB 4.17Å; L482-A527 HydrophobicContact CG-CB 4.27Å; A527-F531 HydrophobicContact CB-CE2 3.57Å; A527-F531 HydrophobicContact CB-CZ 3.52Å
528	L	91.8	Very high	92.1	Very high	81 Å²	81	50.3 Å²	50.3	42%	0.424	27%	0.266	S	S	.	.	S	Bend	trans	-89	-19.2	176.8	-72	175.8	0	0	0	113.3	P478 S513 Y515 T517	P478-L528 WeakPolarHBondContact CB-O 3.36Å; S513-L528 WeakPolarHBondContact O-CD1 3.48Å; Y515-L528 PolarHBondContact O-N 3.12Å; T517-L528 HydrophobicContact CG2-CD1 4.43Å; T517-L528 HydrophobicContact CG2-CD2 3.76Å; T517-L528 HydrophobicContact CG2-CG 4.04Å
529	R	89.4	Confident	91.8	Very high	56 Å²	56	49.6 Å²	49.6	21%	0.211	26%	0.263	C	S	.	.	S	Bend	trans	-124.1	166	179.2	63.4	168.5	79.1	-177	7.8	111.4	N476 T514 Y515 F531 E535	N476-R529 PolarHBondContact ND2-O 2.74Å; T514-R529 PolarHBondContact O-NE 3.08Å; T514-R529 PolarHBondContact O-NH2 2.83Å; T514-R529 PolarHBondContact OG1-NH2 2.72Å; Y515-R529 HydrophobicContact CD1-CG 4.4Å; R529-F531 HydrophobicContact CG-CD1 4.05Å; R529-F531 HydrophobicContact CG-CE1 3.94Å; R529-E535 IonicContact NH1-OE2 3Å
530	T	91.6	Very high	91.7	Very high	80 Å²	80	50.5 Å²	50.5	49%	0.491	27%	0.272	S	S	.	.			trans	-62	134	152.2	45.3	0	0	0	0	108.8	N476	N476-T530 WeakPolarHBondContact O-CA 3.41Å; N476-T530 WeakPolarHBondContact O-CG2 3.35Å
531	F	91.8	Very high	91.6	Very high	4 Å²	4	47 Å²	47	2%	0.018	25%	0.249	C	C	.	.			trans	-87.3	148.1	164.3	-56.7	-50.2	0	0	0	110.2	E474 N475 N476 L482 Y515 V516 A527 R529 I539 L561 I563	E474-F531 WeakPolarHBondContact CB-O 3.17Å; N475-F531 PolarHBondContact N-O 3.2Å; N476-F531 WeakPolarHBondContact OD1-CB 3.46Å; N476-F531 WeakPolarHBondContact OD1-CD2 3.31Å; N476-F531 WeakPolarHBondContact OD1-CG 3.2Å; N476-F531 PolarHBondContact OD1-N 3.07Å; L482-F531 HydrophobicContact CD1-CE2 4.4Å; L482-F531 HydrophobicContact CD1-CZ 4.47Å; L482-F531 HydrophobicContact CD2-CE2 4.29Å; Y515-F531 HydrophobicContact CD1-CD1 4.41Å; Y515-F531 HydrophobicContact CD1-CE1 4.13Å; V516-F531 HydrophobicContact CG1-CZ 4.22Å; A527-F531 HydrophobicContact CB-CE2 3.57Å; A527-F531 HydrophobicContact CB-CZ 3.52Å; R529-F531 HydrophobicContact CG-CD1 4.05Å; R529-F531 HydrophobicContact CG-CE1 3.94Å; F531-I539 HydrophobicContact CD1-CD1 3.87Å; F531-I539 HydrophobicContact CE1-CD1 3.72Å; F531-I539 HydrophobicContact CZ-CD1 4.44Å; F531-L561 HydrophobicContact CD2-CD2 4.41Å; F531-L561 HydrophobicContact CE1-CD2 4.4Å; F531-L561 HydrophobicContact CE2-CD2 3.65Å; F531-L561 HydrophobicContact CZ-CD2 3.65Å; F531-I563 HydrophobicContact CB-CD1 3.74Å; F531-I563 HydrophobicContact CB-CG1 4.09Å; F531-I563 HydrophobicContact CB-CG2 4.21Å; F531-I563 HydrophobicContact CD1-CD1 4.18Å; F531-I563 HydrophobicContact CD2-CD1 4.35Å; F531-I563 HydrophobicContact CD2-CG1 4.25Å; F531-I563 HydrophobicContact CG-CD1 3.83Å; F531-I563 HydrophobicContact CG-CG1 4.19Å
532	D	90.9	Very high	91.7	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	24%	0.237	S	C	.	.			trans	-133.3	118.2	179	165.4	-37.4	0	0	0	103.5	E534 E535 V536	D532-E534 PolarHBondContact OD1-N 2.97Å; D532-E535 HydrophobicContact CB-CB 4.29Å; D532-E535 WeakPolarHBondContact OD1-CB 3.22Å; D532-E535 PolarHBondContact OD1-N 2.83Å; D532-V536 PolarHBondContact O-N 2.92Å
533	R	91.3	Very high	91.8	Very high	27 Å²	27	42.5 Å²	42.5	10%	0.102	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-25.3	-168.4	-176.3	-138.9	66.9	103.7	-0	111.5	E474 E535 V536 N537 I563 D565 R605 T607	E474-R533 HydrophobicContact CB-CB 4.35Å; E474-R533 VanDerWaalsContact CD-CB 3.49Å; E474-R533 WeakPolarHBondContact OE2-CB 2.93Å; E474-R533 PolarHBondContact OE2-N 3.19Å; R533-E535 VanDerWaalsContact C-N 3.3Å; R533-V536 CarbonylContact O-C 3.58Å; R533-N537 HydrophobicContact CG-CB 4.08Å; R533-N537 PolarHBondContact O-N 2.85Å; R533-I563 HydrophobicContact CB-CG2 3.81Å; R533-I563 HydrophobicContact CG-CG2 4.12Å; R533-D565 VanDerWaalsContact CD-OD1 3.27Å; R533-D565 WeakPolarHBondContact CD-OD1 3.39Å; R533-D565 IonicContact CZ-OD1 3.75Å; R533-D565 IonicContact NE-OD1 2.6Å; R533-D565 PolarHBondContact NE-OD1 3.19Å; R533-D565 VanDerWaalsContact NE-OD1 3.07Å; R533-D565 IonicContact NH1-OD1 3.97Å; R533-D565 PolarHBondContact NH1-OD1 2.91Å; R533-D565 IonicContact NH2-OD1 3.87Å; R533-R605 PolarHBondContact NH2-O 3.28Å; R533-T607 VanDerWaalsContact NH1-CG2 3.27Å; R533-T607 PolarHBondContact NH1-OG1 2.87Å
534	E	90.5	Very high	92	Very high	57 Å²	57	44.5 Å²	44.5	27%	0.266	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.3	171	-66.9	58.1	-121.6	0	0	111.1	D532 R605	D532-E534 PolarHBondContact OD1-N 2.97Å; E534-R605 HydrophobicContact CG-CB 3.81Å
535	E	87.6	Confident	92	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-53.8	170.1	-164.5	-168.9	-150	0	0	111.4	R529 D532 R533	R529-E535 IonicContact NH1-OE2 3Å; D532-E535 HydrophobicContact CB-CB 4.29Å; D532-E535 WeakPolarHBondContact OD1-CB 3.22Å; D532-E535 PolarHBondContact OD1-N 2.83Å; R533-E535 VanDerWaalsContact C-N 3.3Å
536	V	87.7	Confident	92	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	24%	0.239	C	C	.	.			trans	-145.1	108.2	-175.6	-172.9	0	0	0	0	112	I507 H508 D532 R533 N538 I539 I563	I507-V536 HydrophobicContact CG2-CG1 4.33Å; H508-V536 HydrophobicContact CB-CG2 4.43Å; D532-V536 PolarHBondContact O-N 2.92Å; R533-V536 CarbonylContact O-C 3.58Å; V536-N538 WeakPolarHBondContact CG1-O 3.03Å; V536-I539 HydrophobicContact CG1-CD1 4.43Å; V536-I539 HydrophobicContact CG1-CG1 3.72Å; V536-I563 WeakPolarHBondContact O-CD1 3.46Å
537	N	88.8	Confident	92.1	Very high	89 Å²	89	43.6 Å²	43.6	48%	0.476	22%	0.224	S	C	.	.	S	Bend	trans	-83.1	-19.4	178.8	65.1	28.2	0	0	0	115.4	R533 I563	R533-N537 HydrophobicContact CG-CB 4.08Å; R533-N537 PolarHBondContact O-N 2.85Å; N537-I563 PolarHBondContact O-N 2.8Å
538	N	91	Very high	92	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	131.5	-179.2	-74.1	-86.2	0	0	0	111.7	V536 L561 S562	V536-N538 WeakPolarHBondContact CG1-O 3.03Å; N538-L561 WeakPolarHBondContact CA-O 3.06Å; N538-S562 WeakPolarHBondContact OD1-CB 3.45Å; N538-S562 PolarHBondContact OD1-OG 3.43Å
539	I	90.7	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.3	-179.3	-65.3	176.8	0	0	0	107.6	I507 I512 Y515 F531 V536 F541 L561 I563	I507-I539 HydrophobicContact CD1-CB 4.4Å; I507-I539 HydrophobicContact CD1-CG2 3.67Å; I512-I539 HydrophobicContact CD1-CG2 3.84Å; Y515-I539 HydrophobicContact CD1-CD1 3.52Å; Y515-I539 HydrophobicContact CE1-CD1 4.04Å; Y515-I539 HydrophobicContact CG-CD1 4.17Å; F531-I539 HydrophobicContact CD1-CD1 3.87Å; F531-I539 HydrophobicContact CE1-CD1 3.72Å; F531-I539 HydrophobicContact CZ-CD1 4.44Å; V536-I539 HydrophobicContact CG1-CD1 4.43Å; V536-I539 HydrophobicContact CG1-CG1 3.72Å; I539-F541 HydrophobicContact CG2-CD1 4.07Å; I539-F541 HydrophobicContact CG2-CE1 4.42Å; I539-L561 HydrophobicContact CB-CB 4.21Å; I539-L561 HydrophobicContact CB-CD2 4.3Å; I539-L561 HydrophobicContact CD1-CD2 4.26Å; I539-L561 PolarHBondContact N-O 3.15Å; I539-L561 PolarHBondContact O-N 3.04Å; I539-I563 HydrophobicContact CD1-CD1 3.8Å; I539-I563 HydrophobicContact CG1-CD1 4.15Å
540	S	91.9	Very high	91.8	Very high	66 Å²	66	48.4 Å²	48.4	46%	0.462	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.2	178.4	59.4	0	0	0	0	111.4	V559	S540-V559 WeakPolarHBondContact CA-O 3.28Å
541	F	92.9	Very high	91.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.1	-176.8	59.3	-79.6	0	0	0	111.6	I502 I512 V516 I525 I539 V543 V559	I502-F541 HydrophobicContact CD1-CE2 4.32Å; I502-F541 HydrophobicContact CG1-CD2 4.15Å; I502-F541 HydrophobicContact CG1-CE2 4.17Å; I502-F541 HydrophobicContact CG2-CD2 4.01Å; I512-F541 HydrophobicContact CD1-CB 3.67Å; I512-F541 HydrophobicContact CD1-CD1 3.9Å; I512-F541 HydrophobicContact CD1-CG 3.87Å; I512-F541 HydrophobicContact CG1-CB 3.7Å; I512-F541 HydrophobicContact CG1-CG 4.09Å; V516-F541 HydrophobicContact CG2-CD1 4.43Å; V516-F541 HydrophobicContact CG2-CD2 4.46Å; V516-F541 HydrophobicContact CG2-CE1 4.14Å; V516-F541 HydrophobicContact CG2-CE2 4.17Å; V516-F541 HydrophobicContact CG2-CZ 4Å; I525-F541 HydrophobicContact CD1-CE2 4.22Å; I525-F541 HydrophobicContact CD1-CZ 4.26Å; I525-F541 HydrophobicContact CG2-CZ 4.16Å; I539-F541 HydrophobicContact CG2-CD1 4.07Å; I539-F541 HydrophobicContact CG2-CE1 4.42Å; F541-V543 HydrophobicContact CD2-CG2 3.7Å; F541-V543 HydrophobicContact CE2-CG2 3.6Å; F541-V559 HydrophobicContact CD1-CB 4.29Å; F541-V559 HydrophobicContact CD1-CG1 4.46Å; F541-V559 HydrophobicContact CD2-CB 4.15Å; F541-V559 HydrophobicContact CE1-CB 3.93Å; F541-V559 HydrophobicContact CE1-CG1 3.67Å; F541-V559 HydrophobicContact CE2-CB 3.78Å; F541-V559 HydrophobicContact CE2-CG1 4.04Å; F541-V559 HydrophobicContact CE2-CG2 4.12Å; F541-V559 HydrophobicContact CG-CB 4.4Å; F541-V559 HydrophobicContact CZ-CB 3.67Å; F541-V559 HydrophobicContact CZ-CG1 3.42Å; F541-V559 VanDerWaalsContact CZ-CG1 3.42Å; F541-V559 HydrophobicContact CZ-CG2 4.35Å; F541-V559 PolarHBondContact N-O 2.96Å; F541-V559 PolarHBondContact O-N 2.88Å
542	I	93.9	Very high	91.9	Very high	72 Å²	72	52.4 Å²	52.4	37%	0.369	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.5	179	-57.2	174.7	0	0	0	107.7	L503 N556 T557	L503-I542 HydrophobicContact CB-CB 4.39Å; L503-I542 HydrophobicContact CD1-CB 4.25Å; L503-I542 HydrophobicContact CD1-CG2 3.79Å; L503-I542 HydrophobicContact CG-CG2 4.39Å; L503-I542 PolarHBondContact N-O 2.87Å; I542-N556 HydrophobicContact CG2-CB 3.72Å; I542-T557 WeakPolarHBondContact CA-O 3.5Å
543	V	95	Very high	92.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	172.3	-168.5	0	0	0	0	108.6	I485 S501 I502 I518 I525 F541 N556 T557 V559	I485-V543 HydrophobicContact CD1-CB 3.65Å; I485-V543 HydrophobicContact CD1-CG1 3.49Å; I485-V543 VanDerWaalsContact CD1-CG1 3.49Å; I485-V543 HydrophobicContact CD1-CG2 4.06Å; S501-V543 CarbonylContact O-C 3.58Å; S501-V543 WeakPolarHBondContact O-CA 3.32Å; S501-V543 VanDerWaalsContact O-CG1 3.29Å; S501-V543 WeakPolarHBondContact O-CG1 3.46Å; I502-V543 HydrophobicContact CG1-CG2 4.15Å; I518-V543 HydrophobicContact CD1-CG1 3.55Å; I525-V543 HydrophobicContact CD1-CG2 4.49Å; F541-V543 HydrophobicContact CD2-CG2 3.7Å; F541-V543 HydrophobicContact CE2-CG2 3.6Å; V543-N556 WeakPolarHBondContact O-CA 3.44Å; V543-T557 HydrophobicContact CB-CG2 4.35Å; V543-T557 PolarHBondContact N-O 3.08Å; V543-T557 PolarHBondContact O-N 2.67Å; V543-V559 HydrophobicContact CG2-CB 4.48Å; V543-V559 HydrophobicContact CG2-CG2 3.61Å
544	Q	95.4	Very high	92.2	Very high	41 Å²	41	53.1 Å²	53.1	19%	0.192	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.6	177.4	174.9	158.7	98.1	0	0	109.9	Y500 S501 L503 T554 S555 N556	Y500-Q544 WeakPolarHBondContact CA-O 3.33Å; S501-Q544 PolarHBondContact N-O 2.6Å; S501-Q544 PolarHBondContact O-N 2.93Å; L503-Q544 HydrophobicContact CD1-CB 4.46Å; L503-Q544 HydrophobicContact CD2-CB 3.93Å; L503-Q544 HydrophobicContact CG-CB 4.04Å; Q544-T554 HydrophobicContact CG-CG2 4Å; Q544-S555 CarbonylContact C-O 3.53Å; Q544-S555 VanDerWaalsContact CA-O 3.31Å; Q544-S555 WeakPolarHBondContact CA-O 2.92Å; Q544-N556 WeakPolarHBondContact CB-OD1 3.42Å; Q544-N556 PolarHBondContact NE2-OD1 3.26Å
545	A	96.1	Very high	92.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.6	160.6	0	0	0	0	0	108.2	P461 F463 A487 V498 S499 Y500 T554 S555	P461-A545 HydrophobicContact CB-CB 3.87Å; F463-A545 HydrophobicContact CD2-CB 4.41Å; F463-A545 HydrophobicContact CE1-CB 4.08Å; F463-A545 HydrophobicContact CE2-CB 3.61Å; F463-A545 HydrophobicContact CZ-CB 3.42Å; F463-A545 VanDerWaalsContact CZ-CB 3.42Å; A487-A545 HydrophobicContact CB-CB 3.74Å; V498-A545 HydrophobicContact CG1-CB 3.93Å; S499-A545 WeakPolarHBondContact O-CA 3.32Å; Y500-A545 HydrophobicContact CD1-CB 4.36Å; Y500-A545 HydrophobicContact CE1-CB 4.37Å; A545-T554 VanDerWaalsContact O-CA 3.3Å; A545-T554 WeakPolarHBondContact O-CA 3.32Å; A545-S555 PolarHBondContact N-O 3.05Å; A545-S555 PolarHBondContact O-N 3.36Å
546	K	94.8	Very high	92.9	Very high	69 Å²	69	51 Å²	51	30%	0.3	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	133.2	-175.1	-173.3	-138.2	164.8	-130.6	0	110	S499 P552 T554	S499-K546 WeakPolarHBondContact CA-O 3.42Å; S499-K546 PolarHBondContact N-O 2.86Å; S499-K546 PolarHBondContact O-N 2.75Å; S499-K546 PolarHBondContact OG-O 2.92Å; K546-P552 HydrophobicContact CG-CB 4.45Å; K546-T554 HydrophobicContact CB-CG2 3.87Å; K546-T554 HydrophobicContact CG-CG2 3.61Å
547	D	95.8	Very high	93.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.283	C	S	.	.			trans	-68.6	-178.6	173.5	59.6	37.6	0	0	0	113.7	N457 P461 N495 Q497 G549 P552 L553	N457-D547 PolarHBondContact ND2-OD2 3.04Å; N457-D547 PolarHBondContact OD1-OD2 2.81Å; P461-D547 HydrophobicContact CG-CB 4.2Å; N495-D547 WeakPolarHBondContact O-CB 3.3Å; Q497-D547 CarbonylContact O-C 3.35Å; Q497-D547 WeakPolarHBondContact O-CA 3.3Å; D547-G549 WeakPolarHBondContact OD1-CA 3.3Å; D547-G549 PolarHBondContact OD1-N 2.81Å; D547-P552 WeakPolarHBondContact OD1-CA 3.27Å; D547-P552 WeakPolarHBondContact OD1-CB 3.48Å; D547-L553 PolarHBondContact N-O 3.02Å; D547-L553 PolarHBondContact OD1-N 3.07Å; D547-L553 WeakPolarHBondContact OD2-CA 3.26Å; D547-L553 VanDerWaalsContact OD2-CB 3.3Å; D547-L553 WeakPolarHBondContact OD2-CB 3.05Å; D547-L553 PolarHBondContact OD2-N 2.88Å
548	A	93.3	Very high	93.5	Very high	42 Å²	42	49.2 Å²	49.2	35%	0.347	28%	0.277	S	S	.	.	S	Bend	trans	-102	17.2	163.5	0	0	0	0	0	113.1	A494 Q497	A494-A548 HydrophobicContact CB-CB 4.44Å; A494-A548 CarbonylContact O-C 3.48Å; A494-A548 WeakPolarHBondContact O-CA 3.42Å; A494-A548 VanDerWaalsContact O-CB 3.31Å; A494-A548 WeakPolarHBondContact O-CB 3.14Å; A494-A548 PolarHBondContact O-N 2.89Å; A494-A548 VanDerWaalsContact O-N 3.16Å; Q497-A548 HydrophobicContact CB-CB 4.25Å; Q497-A548 PolarHBondContact O-N 2.97Å
549	G	90	Very high	93.6	Very high	5 Å²	5	45.5 Å²	45.5	5%	0.052	26%	0.257	C	S	.	.			trans	-66.5	172.9	-179.3	0	0	0	0	0	116.2	N457 D547	N457-G549 WeakPolarHBondContact OD1-CA 3.47Å; D547-G549 WeakPolarHBondContact OD1-CA 3.3Å; D547-G549 PolarHBondContact OD1-N 2.81Å
550	K	87.5	Confident	93.8	Very high	191 Å²	191	46.2 Å²	46.2	83%	0.83	26%	0.261	S	S	*	.	S	Bend	trans	-146.4	99.8	-177.4	-64.8	175.8	-167	151.7	0	111.8
551	P	91	Very high	93.9	Very high	105 Å²	105	43 Å²	43	68%	0.682	24%	0.239	S	C	*	.	S	Bend	cis	-68.2	147	-1.3	31	-35.8	0	0	0	111.4
552	P	93.4	Very high	93.9	Very high	63 Å²	63	44.2 Å²	44.2	41%	0.409	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-78.1	137	178.4	28.4	-32.5	0	0	0	112.9	K546 D547	K546-P552 HydrophobicContact CG-CB 4.45Å; D547-P552 WeakPolarHBondContact OD1-CA 3.27Å; D547-P552 WeakPolarHBondContact OD1-CB 3.48Å
553	L	94.7	Very high	93.9	Very high	54 Å²	54	41.4 Å²	41.4	28%	0.283	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-92.6	161.7	171.8	-57.9	178.5	0	0	0	111.3	N457 N459 P460 D547	N457-L553 WeakPolarHBondContact ND2-CD1 3.5Å; N457-L553 WeakPolarHBondContact ND2-CG 3.33Å; N457-L553 WeakPolarHBondContact O-CD1 3.33Å; N459-L553 WeakPolarHBondContact O-CD1 3.36Å; P460-L553 HydrophobicContact CB-CB 4.01Å; P460-L553 HydrophobicContact CB-CD1 4.36Å; D547-L553 PolarHBondContact N-O 3.02Å; D547-L553 PolarHBondContact OD1-N 3.07Å; D547-L553 WeakPolarHBondContact OD2-CA 3.26Å; D547-L553 VanDerWaalsContact OD2-CB 3.3Å; D547-L553 WeakPolarHBondContact OD2-CB 3.05Å; D547-L553 PolarHBondContact OD2-N 2.88Å
554	T	95.3	Very high	93.7	Very high	67 Å²	67	45.2 Å²	45.2	41%	0.411	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.4	-176.3	47.5	0	0	0	0	111.6	Q544 A545 K546	Q544-T554 HydrophobicContact CG-CG2 4Å; A545-T554 VanDerWaalsContact O-CA 3.3Å; A545-T554 WeakPolarHBondContact O-CA 3.32Å; K546-T554 HydrophobicContact CB-CG2 3.87Å; K546-T554 HydrophobicContact CG-CG2 3.61Å
555	S	95.7	Very high	93.5	Very high	31 Å²	31	45.1 Å²	45.1	22%	0.217	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	162.8	158.6	85	0	0	0	0	111	P461 F463 Q544 A545	P461-S555 WeakPolarHBondContact O-CB 3.42Å; P461-S555 PolarHBondContact O-OG 3.3Å; F463-S555 VanDerWaalsContact CD2-OG 3.3Å; F463-S555 WeakPolarHBondContact CD2-OG 3.34Å; Q544-S555 CarbonylContact C-O 3.53Å; Q544-S555 VanDerWaalsContact CA-O 3.31Å; Q544-S555 WeakPolarHBondContact CA-O 2.92Å; A545-S555 PolarHBondContact N-O 3.05Å; A545-S555 PolarHBondContact O-N 3.36Å
556	N	95.4	Very high	93.2	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	-175.5	-66.6	-20.4	0	0	0	109.8	I542 V543 Q544	I542-N556 HydrophobicContact CG2-CB 3.72Å; V543-N556 WeakPolarHBondContact O-CA 3.44Å; Q544-N556 WeakPolarHBondContact CB-OD1 3.42Å; Q544-N556 PolarHBondContact NE2-OD1 3.26Å
557	T	94.8	Very high	93	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.2	168.6	-169	0	0	0	0	110.8	F463 K465 G466 Y468 I485 I542 V543	F463-T557 HydrophobicContact CD1-CG2 3.68Å; F463-T557 HydrophobicContact CD2-CG2 3.82Å; F463-T557 HydrophobicContact CE1-CG2 3.63Å; F463-T557 HydrophobicContact CE2-CG2 3.74Å; F463-T557 HydrophobicContact CG-CG2 3.78Å; F463-T557 HydrophobicContact CZ-CG2 3.64Å; K465-T557 PolarHBondContact O-OG1 2.94Å; G466-T557 VanDerWaalsContact C-OG1 3.3Å; G466-T557 PolarHBondContact O-OG1 3.28Å; Y468-T557 HydrophobicContact CD2-CG2 3.94Å; Y468-T557 HydrophobicContact CE2-CG2 3.89Å; I485-T557 HydrophobicContact CD1-CG2 4Å; I542-T557 WeakPolarHBondContact CA-O 3.5Å; V543-T557 HydrophobicContact CB-CG2 4.35Å; V543-T557 PolarHBondContact N-O 3.08Å; V543-T557 PolarHBondContact O-N 2.67Å
558	T	94.4	Very high	92.7	Very high	57 Å²	57	50.7 Å²	50.7	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.9	178.4	-55	0	0	0	0	110.4	G466 R467 Y468 V560	G466-T558 PolarHBondContact O-N 2.86Å; R467-T558 CarbonylContact C-O 3.55Å; R467-T558 VanDerWaalsContact CA-O 3.27Å; R467-T558 WeakPolarHBondContact CA-O 3.41Å; Y468-T558 PolarHBondContact N-O 2.85Å; T558-V560 HydrophobicContact CG2-CG2 4.12Å
559	V	94.4	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.6	172.4	-176.4	0	0	0	0	108.7	I470 I525 S540 F541 V543	I470-V559 HydrophobicContact CD1-CG1 3.42Å; I470-V559 VanDerWaalsContact CD1-CG1 3.42Å; I470-V559 HydrophobicContact CG1-CG1 4.1Å; I525-V559 HydrophobicContact CD1-CG1 4.44Å; I525-V559 HydrophobicContact CD1-CG2 4.19Å; S540-V559 WeakPolarHBondContact CA-O 3.28Å; F541-V559 HydrophobicContact CD1-CB 4.29Å; F541-V559 HydrophobicContact CD1-CG1 4.46Å; F541-V559 HydrophobicContact CD2-CB 4.15Å; F541-V559 HydrophobicContact CE1-CB 3.93Å; F541-V559 HydrophobicContact CE1-CG1 3.67Å; F541-V559 HydrophobicContact CE2-CB 3.78Å; F541-V559 HydrophobicContact CE2-CG1 4.04Å; F541-V559 HydrophobicContact CE2-CG2 4.12Å; F541-V559 HydrophobicContact CG-CB 4.4Å; F541-V559 HydrophobicContact CZ-CB 3.67Å; F541-V559 HydrophobicContact CZ-CG1 3.42Å; F541-V559 VanDerWaalsContact CZ-CG1 3.42Å; F541-V559 HydrophobicContact CZ-CG2 4.35Å; F541-V559 PolarHBondContact N-O 2.96Å; F541-V559 PolarHBondContact O-N 2.88Å; V543-V559 HydrophobicContact CG2-CB 4.48Å; V543-V559 HydrophobicContact CG2-CG2 3.61Å
560	V	93.9	Very high	92.5	Very high	15 Å²	15	53 Å²	53	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.2	174.5	-177.3	0	0	0	0	108.5	Y468 E469 I470 T558	Y468-V560 PolarHBondContact O-N 3.4Å; E469-V560 WeakPolarHBondContact CA-O 3.29Å; I470-V560 PolarHBondContact N-O 3.49Å; T558-V560 HydrophobicContact CG2-CG2 4.12Å
561	L	93.8	Very high	92.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110	174.8	171.6	66.7	0	0	0	108.5	I470 K472 L482 F531 N538 I539 I563	I470-L561 HydrophobicContact CB-CD1 3.91Å; I470-L561 HydrophobicContact CG2-CD1 3.72Å; I470-L561 WeakPolarHBondContact O-CA 3.46Å; K472-L561 HydrophobicContact CB-CD1 3.83Å; L482-L561 HydrophobicContact CD1-CD1 4.39Å; L482-L561 HydrophobicContact CD1-CD2 3.91Å; F531-L561 HydrophobicContact CD2-CD2 4.41Å; F531-L561 HydrophobicContact CE1-CD2 4.4Å; F531-L561 HydrophobicContact CE2-CD2 3.65Å; F531-L561 HydrophobicContact CZ-CD2 3.65Å; N538-L561 WeakPolarHBondContact CA-O 3.06Å; I539-L561 HydrophobicContact CB-CB 4.21Å; I539-L561 HydrophobicContact CB-CD2 4.3Å; I539-L561 HydrophobicContact CD1-CD2 4.26Å; I539-L561 PolarHBondContact N-O 3.15Å; I539-L561 PolarHBondContact O-N 3.04Å; L561-I563 HydrophobicContact CG-CG1 4.49Å
562	S	93.2	Very high	92.6	Very high	27 Å²	27	43.2 Å²	43.2	19%	0.189	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127	170.6	-64.6	0	0	0	0	109.2	I470 F471 K472 N538	I470-S562 PolarHBondContact O-N 2.75Å; F471-S562 WeakPolarHBondContact CA-O 3.5Å; K472-S562 PolarHBondContact N-O 2.84Å; N538-S562 WeakPolarHBondContact OD1-CB 3.45Å; N538-S562 PolarHBondContact OD1-OG 3.43Å
563	I	93.6	Very high	92.4	Very high	13 Å²	13	41 Å²	41	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132	-179.2	-65.7	153.3	0	0	0	108.4	K472 E474 F531 R533 V536 N537 I539 L561	K472-I563 CarbonylContact O-C 3.47Å; K472-I563 VanDerWaalsContact O-CA 3.29Å; K472-I563 WeakPolarHBondContact O-CA 3.32Å; E474-I563 HydrophobicContact CB-CG2 3.78Å; F531-I563 HydrophobicContact CB-CD1 3.74Å; F531-I563 HydrophobicContact CB-CG1 4.09Å; F531-I563 HydrophobicContact CB-CG2 4.21Å; F531-I563 HydrophobicContact CD1-CD1 4.18Å; F531-I563 HydrophobicContact CD2-CD1 4.35Å; F531-I563 HydrophobicContact CD2-CG1 4.25Å; F531-I563 HydrophobicContact CG-CD1 3.83Å; F531-I563 HydrophobicContact CG-CG1 4.19Å; R533-I563 HydrophobicContact CB-CG2 3.81Å; R533-I563 HydrophobicContact CG-CG2 4.12Å; V536-I563 WeakPolarHBondContact O-CD1 3.46Å; N537-I563 PolarHBondContact O-N 2.8Å; I539-I563 HydrophobicContact CD1-CD1 3.8Å; I539-I563 HydrophobicContact CG1-CD1 4.15Å; L561-I563 HydrophobicContact CG-CG1 4.49Å
564	L	91.7	Very high	92.1	Very high	80 Å²	80	41.2 Å²	41.2	42%	0.419	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.5	-177.9	-59.6	-178.6	0	0	0	111	F471 K472 E474	F471-L564 HydrophobicContact CB-CD1 4.09Å; F471-L564 HydrophobicContact CB-CD2 4.39Å; F471-L564 HydrophobicContact CB-CG 4.26Å; F471-L564 HydrophobicContact CD1-CD2 4.13Å; K472-L564 PolarHBondContact O-N 3.07Å; E474-L564 PolarHBondContact N-O 3.5Å; E474-L564 VanDerWaalsContact N-O 3.1Å
565	D	90.6	Very high	91.6	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-77.4	119.4	-173.8	-155	115.2	0	0	0	111.7	E474 R533 T607 N610	E474-D565 VanDerWaalsContact OE1-CA 3.27Å; E474-D565 WeakPolarHBondContact OE1-CA 3.33Å; R533-D565 VanDerWaalsContact CD-OD1 3.27Å; R533-D565 WeakPolarHBondContact CD-OD1 3.39Å; R533-D565 IonicContact CZ-OD1 3.75Å; R533-D565 IonicContact NE-OD1 2.6Å; R533-D565 PolarHBondContact NE-OD1 3.19Å; R533-D565 VanDerWaalsContact NE-OD1 3.07Å; R533-D565 IonicContact NH1-OD1 3.97Å; R533-D565 PolarHBondContact NH1-OD1 2.91Å; R533-D565 IonicContact NH2-OD1 3.87Å; D565-T607 WeakPolarHBondContact OD1-CA 3.19Å; D565-T607 WeakPolarHBondContact OD1-CB 3.43Å; D565-T607 PolarHBondContact OD1-N 2.87Å; D565-T607 PolarHBondContact OD1-OG1 3.23Å; D565-T607 PolarHBondContact OD2-N 3.37Å; D565-N610 PolarHBondContact O-ND2 2.9Å; D565-N610 WeakPolarHBondContact OD2-CB 3.28Å; D565-N610 PolarHBondContact OD2-ND2 2.88Å
566	E	90.1	Very high	91.1	Very high	89 Å²	89	39.9 Å²	39.9	42%	0.416	23%	0.226	S	C	.	.			trans	-116.6	147	169.5	-63	-161.6	173	0	0	110.5	S473 E474 D568	S473-E566 WeakPolarHBondContact CB-OE1 3.49Å; S473-E566 PolarHBondContact OG-OE1 2.79Å; E474-E566 HydrophobicContact CG-CB 4.3Å; E474-E566 PolarHBondContact OE1-N 2.78Å; E566-D568 VanDerWaalsContact C-N 3.3Å; E566-D568 PolarHBondContact O-N 2.86Å
567	N	90.6	Very high	90.5	Very high	24 Å²	24	43 Å²	43	13%	0.128	24%	0.238	C	C	.	.	S	Bend	trans	-80	70.1	-166.9	-163.1	107.5	0	0	0	112.4	D606 N610 D657 G659 L663	N567-D606 VanDerWaalsContact CA-OD2 3.25Å; N567-D606 WeakPolarHBondContact CA-OD2 3.45Å; N567-N610 HydrophobicContact CB-CB 4.04Å; N567-N610 WeakPolarHBondContact OD1-CA 3.35Å; N567-N610 WeakPolarHBondContact OD1-CB 3.27Å; N567-N610 PolarHBondContact OD1-OD1 3.39Å; N567-D657 PolarHBondContact ND2-OD2 2.82Å; N567-D657 PolarHBondContact OD1-OD1 2.9Å; N567-D657 PolarHBondContact OD1-OD2 2.78Å; N567-G659 VanDerWaalsContact OD1-CA 3.29Å; N567-G659 WeakPolarHBondContact OD1-CA 3.28Å; N567-L663 WeakPolarHBondContact ND2-CG 3.45Å; N567-L663 WeakPolarHBondContact O-CD1 3.31Å
568	D	88.3	Confident	90	Very high	73 Å²	73	45.4 Å²	45.4	39%	0.39	25%	0.25	S	S	.	.			trans	-101.4	-23.4	-171.2	112.5	-26.5	0	0	0	114.3	N475 E566 D606	N475-D568 PolarHBondContact ND2-OD2 3.01Å; E566-D568 VanDerWaalsContact C-N 3.3Å; E566-D568 PolarHBondContact O-N 2.86Å; D568-D606 PolarHBondContact N-OD2 2.89Å; D568-D606 VanDerWaalsContact N-OD2 3.07Å
569	N	89.6	Confident	89.3	Confident	27 Å²	27	52.4 Å²	52.4	14%	0.144	27%	0.271	C	S	.	.	S	Bend	trans	-92.2	128	174.4	-64.4	-92.3	0	0	0	110.5	R605 D606	N569-R605 HydrophobicContact CB-CB 4.01Å; N569-R605 VanDerWaalsContact OD1-CD 3.23Å; N569-R605 WeakPolarHBondContact OD1-CD 3.16Å; N569-D606 WeakPolarHBondContact CB-OD1 3.26Å; N569-D606 PolarHBondContact N-OD1 3.32Å; N569-D606 PolarHBondContact N-OD2 3.37Å; N569-D606 PolarHBondContact ND2-OD1 2.92Å
570	P	89.5	Confident	88.7	Confident	69 Å²	69	59.5 Å²	59.5	45%	0.448	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-81.5	142	173.4	30.5	-33.2	0	0	0	111.5	V572 L663	P570-V572 WeakPolarHBondContact O-CG2 3.35Å; P570-V572 PolarHBondContact O-N 3.13Å; P570-L663 HydrophobicContact CB-CB 4.05Å; P570-L663 HydrophobicContact CB-CD1 4.11Å
571	P	91.9	Very high	88.1	Confident	1 Å²	1	66 Å²	66	1%	0.006	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-60.3	120	-175.8	16.3	-29.9	0	0	0	113.6	D604 L613 V655 A665	P571-D604 WeakPolarHBondContact CA-OD2 3.29Å; P571-D604 WeakPolarHBondContact CB-OD2 3.14Å; P571-D604 WeakPolarHBondContact CD-OD2 3.3Å; P571-L613 HydrophobicContact CB-CD1 4.07Å; P571-L613 HydrophobicContact CB-CD2 3.71Å; P571-L613 HydrophobicContact CG-CD2 4.31Å; P571-V655 HydrophobicContact CB-CG1 4.21Å; P571-A665 WeakPolarHBondContact O-CB 3.05Å
572	V	89.9	Confident	87.7	Confident	89 Å²	89	67.6 Å²	67.6	54%	0.539	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.7	-176.2	-177	0	0	0	0	111.1	P570 V574 A602 T603	P570-V572 WeakPolarHBondContact O-CG2 3.35Å; P570-V572 PolarHBondContact O-N 3.13Å; V572-V574 PolarHBondContact O-N 3.37Å; V572-A602 CarbonylContact O-C 3.58Å; V572-A602 WeakPolarHBondContact O-CA 3.33Å; V572-A602 WeakPolarHBondContact O-CB 3.29Å; V572-T603 PolarHBondContact N-O 3.29Å; V572-T603 PolarHBondContact O-N 2.9Å
573	I	89.4	Confident	87.4	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.7	175.5	-61.8	167.8	0	0	0	110	L578 V600 A602 V655 A665 A667	I573-L578 HydrophobicContact CB-CD1 3.94Å; I573-L578 HydrophobicContact CB-CG 4.47Å; I573-L578 HydrophobicContact CD1-CD1 4.22Å; I573-L578 HydrophobicContact CG2-CD1 4.08Å; I573-L578 HydrophobicContact CG2-CD2 4.3Å; I573-L578 HydrophobicContact CG2-CG 4.16Å; I573-V600 HydrophobicContact CD1-CG1 4.4Å; I573-V600 HydrophobicContact CG1-CG1 4.29Å; I573-V600 HydrophobicContact CG2-CG1 3.97Å; I573-A602 HydrophobicContact CG1-CB 4.19Å; I573-V655 HydrophobicContact CD1-CG2 3.87Å; I573-V655 HydrophobicContact CG1-CG2 3.83Å; I573-A665 HydrophobicContact CD1-CB 3.96Å; I573-A665 HydrophobicContact CG1-CB 4.1Å; I573-A667 HydrophobicContact CD1-CB 3.67Å
574	V	87.6	Confident	86.9	Confident	59 Å²	59	71.3 Å²	71.3	36%	0.358	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-29.8	-177.3	-175.1	0	0	0	0	112.1	V572 R601 T603	V572-V574 PolarHBondContact O-N 3.37Å; V574-R601 PolarHBondContact N-O 3.22Å; V574-T603 HydrophobicContact CG2-CG2 4.1Å; V574-T603 WeakPolarHBondContact CG2-OG1 3.26Å
575	V	85.9	Confident	86.6	Confident	50 Å²	50	67.9 Å²	67.9	30%	0.303	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.2	178.4	-171.5	0	0	0	0	109.3	V600 R601	V575-V600 CarbonylContact O-C 3.52Å; V575-V600 VanDerWaalsContact O-CA 3.3Å; V575-V600 WeakPolarHBondContact O-CA 3.34Å; V575-R601 HydrophobicContact CB-CB 3.98Å; V575-R601 HydrophobicContact CG2-CB 4.2Å; V575-R601 PolarHBondContact N-O 3.02Å; V575-R601 PolarHBondContact O-N 3.07Å
576	P	83.9	Confident	86.2	Confident	19 Å²	19	75 Å²	75	12%	0.123	37%	0.372	C	S	.	.	S	Bend	cis	-63.3	159.5	-11.9	29.6	-35.5	0	0	0	111.8	L578 A583 V585 L669	P576-L578 PolarHBondContact O-N 3.04Å; P576-A583 HydrophobicContact CB-CB 3.95Å; P576-A583 HydrophobicContact CG-CB 3.72Å; P576-V585 HydrophobicContact CG-CG2 4.26Å; P576-L669 HydrophobicContact CG-CD2 3.62Å
577	Q	82.3	Confident	85.8	Confident	154 Å²	154	71 Å²	71	72%	0.72	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-66.7	116.6	177.1	-73.3	-176.5	-18	0	0	110.1
578	L	85.1	Confident	85.3	Confident	52 Å²	52	71 Å²	71	27%	0.272	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-82.3	131.1	-178.9	-53.3	-175.1	0	0	0	111.3	I573 P576 S582 A583 A667	I573-L578 HydrophobicContact CB-CD1 3.94Å; I573-L578 HydrophobicContact CB-CG 4.47Å; I573-L578 HydrophobicContact CD1-CD1 4.22Å; I573-L578 HydrophobicContact CG2-CD1 4.08Å; I573-L578 HydrophobicContact CG2-CD2 4.3Å; I573-L578 HydrophobicContact CG2-CG 4.16Å; P576-L578 PolarHBondContact O-N 3.04Å; L578-S582 CarbonylContact C-O 3.56Å; L578-S582 WeakPolarHBondContact CA-O 3.19Å; L578-A583 HydrophobicContact CD2-CB 3.82Å; L578-A667 HydrophobicContact CD1-CB 3.84Å; L578-A667 HydrophobicContact CD2-CB 3.7Å; L578-A667 HydrophobicContact CG-CB 4.45Å
579	W	79.3	Confident	84.7	Confident	205 Å²	205	69.6 Å²	69.6	78%	0.777	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-113	118.2	165.6	-73.3	76.9	0	0	0	108.4	F581 S582	W579-F581 PolarHBondContact O-N 2.85Å; W579-S582 PolarHBondContact N-O 2.8Å; W579-S582 PolarHBondContact O-N 3.5Å; W579-S582 VanDerWaalsContact O-O 3.06Å; W579-S582 PolarHBondContact O-OG 2.89Å
580	N	82.1	Confident	84.1	Confident	148 Å²	148	74 Å²	74	79%	0.791	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	53	-176.2	-166.4	38.2	0	0	0	113.1	S582	N580-S582 PolarHBondContact O-N 3.02Å; N580-S582 VanDerWaalsContact O-N 3.07Å
581	F	81.9	Confident	83.6	Confident	151 Å²	151	71.3 Å²	71.3	66%	0.662	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	10.1	-175.6	-52.9	-81.8	0	0	0	116.1	W579 A667 V668	W579-F581 PolarHBondContact O-N 2.85Å; F581-A667 WeakPolarHBondContact O-CA 3.04Å; F581-V668 PolarHBondContact O-N 2.82Å
582	S	85.4	Confident	83	Confident	35 Å²	35	77.3 Å²	77.3	25%	0.245	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.9	179.7	70.8	0	0	0	0	112.6	L578 W579 N580 V668	L578-S582 CarbonylContact C-O 3.56Å; L578-S582 WeakPolarHBondContact CA-O 3.19Å; W579-S582 PolarHBondContact N-O 2.8Å; W579-S582 PolarHBondContact O-N 3.5Å; W579-S582 VanDerWaalsContact O-O 3.06Å; W579-S582 PolarHBondContact O-OG 2.89Å; N580-S582 PolarHBondContact O-N 3.02Å; N580-S582 VanDerWaalsContact O-N 3.07Å; S582-V668 CarbonylContact C-O 3.59Å; S582-V668 WeakPolarHBondContact CA-O 3.45Å
583	A	86.5	Confident	82.6	Confident	8 Å²	8	76.1 Å²	76.1	7%	0.066	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	134.8	171.9	0	0	0	0	0	112.2	P576 L578 V585 V668 L669 K670	P576-A583 HydrophobicContact CB-CB 3.95Å; P576-A583 HydrophobicContact CG-CB 3.72Å; L578-A583 HydrophobicContact CD2-CB 3.82Å; A583-V585 PolarHBondContact O-N 3.25Å; A583-V668 PolarHBondContact N-O 2.04Å; A583-L669 HydrophobicContact CB-CD2 4.14Å; A583-L669 WeakPolarHBondContact O-CA 3.46Å; A583-K670 PolarHBondContact O-N 2.78Å
584	D	84.1	Confident	82.2	Confident	110 Å²	110	77.7 Å²	77.7	59%	0.588	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.3	170.9	-73.1	-57.6	0	0	0	110.8	K670 N672	D584-K670 WeakPolarHBondContact OD1-CB 3.32Å; D584-N672 PolarHBondContact OD1-ND2 3.4Å
585	V	84.9	Confident	82	Confident	8 Å²	8	81.9 Å²	81.9	5%	0.048	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.4	174.1	173.4	0	0	0	0	107.7	P576 A583 T598 L669 K670 I671 N672	P576-V585 HydrophobicContact CG-CG2 4.26Å; A583-V585 PolarHBondContact O-N 3.25Å; V585-T598 HydrophobicContact CG1-CG2 3.94Å; V585-T598 HydrophobicContact CG2-CG2 4.3Å; V585-L669 HydrophobicContact CG2-CB 4.23Å; V585-L669 HydrophobicContact CG2-CD2 4.3Å; V585-K670 PolarHBondContact N-O 3Å; V585-K670 VanDerWaalsContact O-O 3.13Å; V585-I671 HydrophobicContact CB-CG1 4.08Å; V585-I671 HydrophobicContact CG1-CG1 4.19Å; V585-I671 CarbonylContact O-C 3.57Å; V585-I671 WeakPolarHBondContact O-CA 3.34Å; V585-N672 PolarHBondContact O-N 2.88Å
586	R	82	Confident	82	Confident	188 Å²	188	84 Å²	84	71%	0.709	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	120.7	-179.9	-58	-170.3	-180	163.2	0.7	110.3	Y674	R586-Y674 HydrophobicContact CB-CD2 4.27Å; R586-Y674 HydrophobicContact CB-CE2 3.87Å; R586-Y674 HydrophobicContact CG-CE2 3.81Å
587	A	82.1	Confident	82.1	Confident	5 Å²	5	84 Å²	84	4%	0.041	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	167.2	178.7	0	0	0	0	0	110.7	V597 I671 N672 L673 Y674	A587-V597 HydrophobicContact CB-CG1 3.86Å; A587-I671 HydrophobicContact CB-CG2 3.71Å; A587-N672 PolarHBondContact N-O 3.28Å; A587-L673 HydrophobicContact CB-CD2 3.86Å; A587-Y674 PolarHBondContact O-N 3Å
588	S	79.1	Confident	82.3	Confident	25 Å²	25	77.9 Å²	77.9	18%	0.175	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145.1	174.8	-172.7	0	0	0	0	111	F590 T591 Y674	S588-F590 PolarHBondContact O-N 2.91Å; S588-F590 PolarHBondContact OG-N 2.91Å; S588-T591 WeakPolarHBondContact O-CB 3.27Å; S588-T591 PolarHBondContact O-N 3.24Å; S588-T591 PolarHBondContact O-OG1 2.83Å; S588-Y674 VanDerWaalsContact CA-O 3.27Å; S588-Y674 WeakPolarHBondContact CA-O 3.37Å; S588-Y674 PolarHBondContact OG-O 3.38Å
589	K	77	Confident	82.5	Confident	43 Å²	43	78 Å²	78	19%	0.187	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.1	170.2	-68.3	-164.4	-168.7	173	0	111.9	T591 L641 E642 L673 Y674 E675	K589-T591 PolarHBondContact O-N 2.79Å; K589-L641 CarbonylContact O-C 3.28Å; K589-E642 PolarHBondContact O-N 2.91Å; K589-L673 HydrophobicContact CG-CB 3.9Å; K589-Y674 PolarHBondContact N-O 3.24Å; K589-Y674 VanDerWaalsContact N-O 3.15Å; K589-E675 HydrophobicContact CB-CG 4.46Å; K589-E675 HydrophobicContact CD-CG 3.62Å; K589-E675 HydrophobicContact CG-CG 4.18Å; K589-E675 IonicContact NZ-OE1 2.71Å; K589-E675 PolarHBondContact NZ-OE1 2.92Å
590	F	76.3	Confident	83	Confident	120 Å²	120	68.4 Å²	68.4	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	33.5	176.9	-49.8	-60.8	0	0	0	114	S588 E592 E675	S588-F590 PolarHBondContact O-N 2.91Å; S588-F590 PolarHBondContact OG-N 2.91Å; F590-E592 PolarHBondContact O-N 2.76Å; F590-E675 VanDerWaalsContact CE2-O 3.31Å; F590-E675 WeakPolarHBondContact CE2-O 3.21Å
591	T	79.6	Confident	83.3	Confident	12 Å²	12	68.3 Å²	68.3	7%	0.074	34%	0.342	C	S	.	.			trans	-88.4	105.4	176.8	-55.9	0	0	0	0	109.4	S588 K589 R595 V597 A637 L641	S588-T591 WeakPolarHBondContact O-CB 3.27Å; S588-T591 PolarHBondContact O-N 3.24Å; S588-T591 PolarHBondContact O-OG1 2.83Å; K589-T591 PolarHBondContact O-N 2.79Å; T591-R595 HydrophobicContact CG2-CB 3.84Å; T591-R595 HydrophobicContact CG2-CG 4.18Å; T591-V597 HydrophobicContact CG2-CG2 4.29Å; T591-A637 HydrophobicContact CG2-CB 3.85Å; T591-L641 HydrophobicContact CG2-CD1 4.26Å; T591-L641 PolarHBondContact O-N 3.16Å
592	E	78.7	Confident	83.7	Confident	126 Å²	126	61.9 Å²	61.9	59%	0.589	32%	0.317	S	S	*	.			trans	-63.5	158.5	175.7	-62.8	167.2	148.7	0	0	112.5	F590 R595	F590-E592 PolarHBondContact O-N 2.76Å; E592-R595 WeakPolarHBondContact O-CB 3.25Å; E592-R595 PolarHBondContact O-N 2.76Å; E592-R595 IonicContact OE2-NH1 3.79Å
593	A	81.7	Confident	83.9	Confident	64 Å²	64	63.7 Å²	63.7	53%	0.529	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	142.9	176.4	0	0	0	0	0	112.8	R595 A637 N638	A593-R595 PolarHBondContact O-N 3.34Å; A593-A637 CarbonylContact C-O 3.51Å; A593-A637 WeakPolarHBondContact CA-O 3.34Å; A593-N638 VanDerWaalsContact CB-O 3.29Å; A593-N638 WeakPolarHBondContact CB-O 3.33Å
594	G	80.6	Confident	84.2	Confident	50 Å²	50	64.8 Å²	64.8	52%	0.515	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-2.9	-174.5	0	0	0	0	0	114.9	Q636 A637	G594-Q636 PolarHBondContact O-OE1 3.42Å; G594-A637 PolarHBondContact N-O 2.79Å
595	R	84.6	Confident	84.5	Confident	146 Å²	146	67.8 Å²	67.8	55%	0.551	33%	0.334	S	S	*	.			trans	-86.8	138.6	-177.3	-164.4	170.3	-173.3	136.6	1	111.8	T591 E592 A593 V597 Q636 A637	T591-R595 HydrophobicContact CG2-CB 3.84Å; T591-R595 HydrophobicContact CG2-CG 4.18Å; E592-R595 WeakPolarHBondContact O-CB 3.25Å; E592-R595 PolarHBondContact O-N 2.76Å; E592-R595 IonicContact OE2-NH1 3.79Å; A593-R595 PolarHBondContact O-N 3.34Å; R595-V597 PolarHBondContact O-N 3.19Å; R595-Q636 VanDerWaalsContact O-CA 3.26Å; R595-Q636 WeakPolarHBondContact O-CA 3.36Å; R595-A637 PolarHBondContact O-N 3.31Å
596	L	85.8	Confident	84.8	Confident	95 Å²	95	67.8 Å²	67.8	50%	0.497	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.9	179.1	-172.9	72.6	0	0	0	111.5	T598 K634	L596-T598 WeakPolarHBondContact CD1-O 3.39Å; L596-K634 HydrophobicContact CD1-CB 3.61Å; L596-K634 HydrophobicContact CD1-CD 4.26Å; L596-K634 HydrophobicContact CD1-CG 3.83Å
597	V	85.4	Confident	85.1	Confident	19 Å²	19	62 Å²	62	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-48.9	174.7	180	0	0	0	0	110.1	A587 T591 R595 F626 I635 A637 L641 I671	A587-V597 HydrophobicContact CB-CG1 3.86Å; T591-V597 HydrophobicContact CG2-CG2 4.29Å; R595-V597 PolarHBondContact O-N 3.19Å; V597-F626 HydrophobicContact CG1-CE1 4.28Å; V597-F626 HydrophobicContact CG2-CD1 4.27Å; V597-F626 HydrophobicContact CG2-CE1 4.24Å; V597-I635 HydrophobicContact CB-CG2 4.48Å; V597-I635 WeakPolarHBondContact CB-O 3.31Å; V597-I635 PolarHBondContact N-O 2.99Å; V597-A637 HydrophobicContact CG2-CB 4.21Å; V597-L641 HydrophobicContact CG2-CD1 4.2Å; V597-I671 HydrophobicContact CG1-CD1 4.16Å; V597-I671 HydrophobicContact CG1-CG2 3.98Å
598	T	86.6	Confident	85.4	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.153	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	171.9	174.9	-169.7	0	0	0	0	110.6	V585 L596 I635 L669	V585-T598 HydrophobicContact CG1-CG2 3.94Å; V585-T598 HydrophobicContact CG2-CG2 4.3Å; L596-T598 WeakPolarHBondContact CD1-O 3.39Å; T598-I635 HydrophobicContact CG2-CB 4.05Å; T598-I635 HydrophobicContact CG2-CD1 3.88Å; T598-I635 HydrophobicContact CG2-CG1 4.27Å; T598-I635 PolarHBondContact N-O 2.97Å; T598-I635 PolarHBondContact O-N 3.03Å; T598-L669 HydrophobicContact CG2-CD1 4.21Å
599	V	88.9	Confident	85.8	Confident	56 Å²	56	67.7 Å²	67.7	34%	0.339	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.9	169.5	68.3	0	0	0	0	109.5	K634	V599-K634 HydrophobicContact CG2-CG 4.04Å
600	V	89.6	Confident	86.3	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.012	36%	0.359	C	S	.	.			trans	-92.3	107.2	170.8	178.3	0	0	0	0	107.4	I573 V575 C633 I635 V653 V655 L669	I573-V600 HydrophobicContact CD1-CG1 4.4Å; I573-V600 HydrophobicContact CG1-CG1 4.29Å; I573-V600 HydrophobicContact CG2-CG1 3.97Å; V575-V600 CarbonylContact O-C 3.52Å; V575-V600 VanDerWaalsContact O-CA 3.3Å; V575-V600 WeakPolarHBondContact O-CA 3.34Å; V600-C633 HydrophobicContact CB-CB 4.22Å; V600-C633 PolarHBondContact N-O 3.45Å; V600-C633 WeakPolarHBondContact O-CB 3.29Å; V600-I635 HydrophobicContact CG2-CD1 4.12Å; V600-V653 HydrophobicContact CG2-CG1 4.2Å; V600-V655 HydrophobicContact CG1-CG2 3.81Å; V600-L669 HydrophobicContact CG2-CD1 3.76Å
601	R	89.6	Confident	86.7	Confident	147 Å²	147	61.7 Å²	61.7	56%	0.555	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	106.5	173.8	-170.6	-179.1	66.3	-173.1	0.5	109.1	V574 V575	V574-R601 PolarHBondContact N-O 3.22Å; V575-R601 HydrophobicContact CB-CB 3.98Å; V575-R601 HydrophobicContact CG2-CB 4.2Å; V575-R601 PolarHBondContact N-O 3.02Å; V575-R601 PolarHBondContact O-N 3.07Å
602	A	89.3	Confident	87.2	Confident	16 Å²	16	64.5 Å²	64.5	13%	0.132	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	166.1	164.3	0	0	0	0	0	111.3	V572 I573 L613 V655	V572-A602 CarbonylContact O-C 3.58Å; V572-A602 WeakPolarHBondContact O-CA 3.33Å; V572-A602 WeakPolarHBondContact O-CB 3.29Å; I573-A602 HydrophobicContact CG1-CB 4.19Å; A602-L613 HydrophobicContact CB-CD1 3.61Å; A602-V655 HydrophobicContact CB-CB 4.36Å; A602-V655 HydrophobicContact CB-CG1 3.85Å; A602-V655 HydrophobicContact CB-CG2 4.22Å
603	T	90.3	Very high	87.8	Confident	72 Å²	72	60 Å²	60	44%	0.442	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132	169.7	50.3	0	0	0	0	108	V572 V574	V572-T603 PolarHBondContact N-O 3.29Å; V572-T603 PolarHBondContact O-N 2.9Å; V574-T603 HydrophobicContact CG2-CG2 4.1Å; V574-T603 WeakPolarHBondContact CG2-OG1 3.26Å
604	D	91.5	Very high	88.3	Confident	31 Å²	31	58.3 Å²	58.3	17%	0.166	32%	0.32	C	S	.	.			trans	-93.9	174.8	163	-129.2	-59.3	0	0	0	111.9	P571 L613	P571-D604 WeakPolarHBondContact CA-OD2 3.29Å; P571-D604 WeakPolarHBondContact CB-OD2 3.14Å; P571-D604 WeakPolarHBondContact CD-OD2 3.3Å; D604-L613 HydrophobicContact CB-CD2 4.09Å
605	R	90.3	Very high	88.8	Confident	174 Å²	174	56 Å²	56	66%	0.657	30%	0.296	S	S	*	.	S	Bend	trans	-109	-35.6	170.4	-70.1	175.2	161.3	-162.4	-6.3	111.8	R533 E534 N569	R533-R605 PolarHBondContact NH2-O 3.28Å; E534-R605 HydrophobicContact CG-CB 3.81Å; N569-R605 HydrophobicContact CB-CB 4.01Å; N569-R605 VanDerWaalsContact OD1-CD 3.23Å; N569-R605 WeakPolarHBondContact OD1-CD 3.16Å
606	D	92.1	Very high	89.1	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.037	28%	0.282	C	S	.	.	S	Bend	trans	-62.8	165.8	177.2	-54.4	1	0	0	0	110.5	N567 D568 N569 N610 G611	N567-D606 VanDerWaalsContact CA-OD2 3.25Å; N567-D606 WeakPolarHBondContact CA-OD2 3.45Å; D568-D606 PolarHBondContact N-OD2 2.89Å; D568-D606 VanDerWaalsContact N-OD2 3.07Å; N569-D606 WeakPolarHBondContact CB-OD1 3.26Å; N569-D606 PolarHBondContact N-OD1 3.32Å; N569-D606 PolarHBondContact N-OD2 3.37Å; N569-D606 PolarHBondContact ND2-OD1 2.92Å; D606-N610 HydrophobicContact CB-CB 3.56Å; D606-G611 VanDerWaalsContact O-CA 3.31Å; D606-G611 WeakPolarHBondContact O-CA 3.33Å
607	T	88.3	Confident	89.3	Confident	68 Å²	68	48 Å²	48	42%	0.417	27%	0.267	S	S	.	.			trans	-130.2	-178.3	-176.9	66.9	0	0	0	0	114	R533 D565 V609 N610 G611	R533-T607 VanDerWaalsContact NH1-CG2 3.27Å; R533-T607 PolarHBondContact NH1-OG1 2.87Å; D565-T607 WeakPolarHBondContact OD1-CA 3.19Å; D565-T607 WeakPolarHBondContact OD1-CB 3.43Å; D565-T607 PolarHBondContact OD1-N 2.87Å; D565-T607 PolarHBondContact OD1-OG1 3.23Å; D565-T607 PolarHBondContact OD2-N 3.37Å; T607-V609 PolarHBondContact O-N 2.92Å; T607-N610 WeakPolarHBondContact O-CB 3.2Å; T607-N610 PolarHBondContact O-N 3.38Å; T607-N610 VanDerWaalsContact O-N 3.14Å; T607-G611 PolarHBondContact O-N 2.71Å
608	G	87.6	Confident	89.5	Confident	63 Å²	63	51.6 Å²	51.6	65%	0.649	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-124	-171.6	0	0	0	0	0	111.3	E612	G608-E612 PolarHBondContact O-N 2.67Å
609	V	87.8	Confident	89.3	Confident	85 Å²	85	53 Å²	53	52%	0.515	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-28.8	178.9	-64.4	0	0	0	0	113.1	T607 G611 E612 Q658	T607-V609 PolarHBondContact O-N 2.92Å; V609-G611 VanDerWaalsContact C-N 3.28Å; V609-G611 PolarHBondContact O-N 3.06Å; V609-E612 PolarHBondContact O-N 3.03Å; V609-E612 VanDerWaalsContact O-N 3.12Å; V609-Q658 HydrophobicContact CB-CB 4.46Å; V609-Q658 CarbonylContact O-C 3.31Å; V609-Q658 WeakPolarHBondContact O-CA 3.44Å; V609-Q658 WeakPolarHBondContact O-CB 3.33Å; V609-Q658 PolarHBondContact O-N 3.44Å
610	N	87.4	Confident	89	Confident	12 Å²	12	52 Å²	52	6%	0.064	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.4	175.8	-55.9	-16.3	0	0	0	109.7	D565 N567 D606 T607 D657 G659	D565-N610 PolarHBondContact O-ND2 2.9Å; D565-N610 WeakPolarHBondContact OD2-CB 3.28Å; D565-N610 PolarHBondContact OD2-ND2 2.88Å; N567-N610 HydrophobicContact CB-CB 4.04Å; N567-N610 WeakPolarHBondContact OD1-CA 3.35Å; N567-N610 WeakPolarHBondContact OD1-CB 3.27Å; N567-N610 PolarHBondContact OD1-OD1 3.39Å; D606-N610 HydrophobicContact CB-CB 3.56Å; T607-N610 WeakPolarHBondContact O-CB 3.2Å; T607-N610 PolarHBondContact O-N 3.38Å; T607-N610 VanDerWaalsContact O-N 3.14Å; N610-D657 WeakPolarHBondContact O-CB 3.27Å; N610-G659 WeakPolarHBondContact OD1-CA 3.22Å
611	G	86.4	Confident	88.8	Confident	26 Å²	26	53.7 Å²	53.7	27%	0.268	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.6	169.9	0	0	0	0	0	116.9	D606 T607 V609 L613	D606-G611 VanDerWaalsContact O-CA 3.31Å; D606-G611 WeakPolarHBondContact O-CA 3.33Å; T607-G611 PolarHBondContact O-N 2.71Å; V609-G611 VanDerWaalsContact C-N 3.28Å; V609-G611 PolarHBondContact O-N 3.06Å; G611-L613 PolarHBondContact O-N 2.84Å
612	E	90.2	Very high	88.3	Confident	70 Å²	70	55.5 Å²	55.5	33%	0.327	33%	0.325	S	S	.	.			trans	-89.9	92.9	-172.7	-163.5	-168.2	134.3	0	0	112.8	G608 V609 R631 Q658	G608-E612 PolarHBondContact O-N 2.67Å; V609-E612 PolarHBondContact O-N 3.03Å; V609-E612 VanDerWaalsContact O-N 3.12Å; E612-R631 IonicContact OE1-CZ 3.53Å; E612-R631 IonicContact OE1-NE 3.35Å; E612-R631 PolarHBondContact OE1-NE 3.32Å; E612-R631 IonicContact OE1-NH2 2.87Å; E612-R631 PolarHBondContact OE1-NH2 2.69Å; E612-Q658 WeakPolarHBondContact O-CG 3.09Å; E612-Q658 PolarHBondContact O-NE2 3.32Å; E612-Q658 PolarHBondContact OE1-NE2 2.73Å
613	L	90.9	Very high	87.8	Confident	31 Å²	31	61.1 Å²	61.1	16%	0.162	35%	0.348	C	S	.	.			trans	-75.3	135	-171.9	-53.4	-170.7	0	0	0	115.3	P571 A602 D604 G611 V655 R656 D657	P571-L613 HydrophobicContact CB-CD1 4.07Å; P571-L613 HydrophobicContact CB-CD2 3.71Å; P571-L613 HydrophobicContact CG-CD2 4.31Å; A602-L613 HydrophobicContact CB-CD1 3.61Å; D604-L613 HydrophobicContact CB-CD2 4.09Å; G611-L613 PolarHBondContact O-N 2.84Å; L613-V655 HydrophobicContact CB-CG1 4.07Å; L613-V655 HydrophobicContact CD1-CG1 4.15Å; L613-R656 CarbonylContact C-O 3.6Å; L613-R656 WeakPolarHBondContact CA-O 3.24Å; L613-D657 HydrophobicContact CD2-CB 4.22Å
614	I	91.3	Very high	87.4	Confident	29 Å²	29	58.7 Å²	58.7	15%	0.149	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.3	170.1	-68.7	-177.2	0	0	0	110.4	P630 R656 Q658	I614-P630 WeakPolarHBondContact CA-O 2.96Å; I614-P630 HydrophobicContact CG2-CB 4.16Å; I614-R656 HydrophobicContact CB-CG 4.31Å; I614-R656 PolarHBondContact N-O 2.85Å; I614-R656 WeakPolarHBondContact O-CG 3.47Å; I614-R656 PolarHBondContact O-N 3.05Å; I614-Q658 HydrophobicContact CD1-CG 3.71Å; I614-Q658 HydrophobicContact CG1-CG 4.11Å
615	C	91.6	Very high	87	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.2	174.6	-62.7	0	0	0	0	112.8	I628 P630 C633 V655	C615-I628 HydrophobicContact CB-CD1 3.59Å; C615-I628 HydrophobicContact CB-CG1 4.26Å; C615-P630 PolarHBondContact N-O 2.75Å; C615-P630 WeakPolarHBondContact O-CA 3.2Å; C615-C633 HydrophobicContact CB-CB 3.67Å; C615-C633 WeakPolarHBondContact CB-SG 3.42Å; C615-C633 WeakPolarHBondContact SG-CB 3.11Å; C615-C633 CovalentContact SG-SG 2.02Å; C615-C633 PolarHBondContact SG-SG 3.01Å; C615-V655 VanDerWaalsContact SG-CG2 3.55Å
616	S	91.4	Very high	86.9	Confident	36 Å²	36	50.7 Å²	50.7	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.7	178.8	60.4	0	0	0	0	111.5	V653 V654	S616-V653 CarbonylContact O-C 3.16Å; S616-V653 WeakPolarHBondContact O-CA 3.49Å; S616-V653 WeakPolarHBondContact O-CG1 3.29Å; S616-V654 PolarHBondContact N-O 3.16Å; S616-V654 PolarHBondContact O-N 2.82Å; S616-V654 PolarHBondContact OG-O 2.91Å
617	I	90.1	Very high	86.7	Confident	37 Å²	37	53.5 Å²	53.5	19%	0.19	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.7	168.1	-62.9	159.2	0	0	0	107	N621 F626 I628 L651 V653	I617-N621 HydrophobicContact CG2-CB 3.76Å; I617-F626 HydrophobicContact CD1-CB 4.24Å; I617-I628 HydrophobicContact CD1-CB 3.92Å; I617-I628 HydrophobicContact CD1-CG2 4.03Å; I617-I628 HydrophobicContact CG1-CB 4.08Å; I617-I628 HydrophobicContact CG1-CG2 3.87Å; I617-L651 HydrophobicContact CD1-CD1 4.16Å; I617-V653 HydrophobicContact CG1-CG2 4.31Å
618	V	87.9	Confident	86.8	Confident	96 Å²	96	51.2 Å²	51.2	58%	0.582	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	-27.1	-173.9	174.5	0	0	0	0	112.6	T652 V654	V618-T652 PolarHBondContact N-O 3.37Å; V618-V654 HydrophobicContact CB-CG2 4.02Å; V618-V654 HydrophobicContact CG2-CB 3.89Å; V618-V654 HydrophobicContact CG2-CG2 3.48Å; V618-V654 VanDerWaalsContact CG2-CG2 3.48Å
619	S	83.5	Confident	86.9	Confident	53 Å²	53	51.9 Å²	51.9	37%	0.371	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	167.5	171.1	69	0	0	0	0	112.1	T652	S619-T652 PolarHBondContact O-N 3.43Å; S619-T652 VanDerWaalsContact OG-CB 3.23Å; S619-T652 WeakPolarHBondContact OG-CB 3.26Å; S619-T652 PolarHBondContact OG-OG1 3.37Å
620	G	81.9	Confident	86.9	Confident	35 Å²	35	51.2 Å²	51.2	36%	0.361	29%	0.291	S	S	.	.	S	Bend	trans	88.6	1.9	-179.9	0	0	0	0	0	115.5	E650 L651	G620-E650 WeakPolarHBondContact CA-O 3.22Å; G620-L651 VanDerWaalsContact O-CD2 3.25Å; G620-L651 WeakPolarHBondContact O-CD2 3.27Å
621	N	85.4	Confident	86.9	Confident	38 Å²	38	59 Å²	59	20%	0.203	32%	0.32	C	S	.	.			trans	-128.4	35.7	-176.2	-169.9	50	0	0	0	112.3	I617 E623 G624 Y625 F626 L651	I617-N621 HydrophobicContact CG2-CB 3.76Å; N621-E623 VanDerWaalsContact C-N 3.28Å; N621-E623 PolarHBondContact O-N 3.08Å; N621-G624 PolarHBondContact O-N 3.49Å; N621-Y625 PolarHBondContact OD1-N 2.59Å; N621-F626 PolarHBondContact ND2-O 2.91Å; N621-F626 PolarHBondContact OD1-N 3.35Å; N621-F626 PolarHBondContact OD1-O 3.18Å; N621-L651 HydrophobicContact CB-CD2 4.03Å
622	E	79.3	Confident	86.9	Confident	186 Å²	186	60 Å²	60	87%	0.869	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.3	-173.8	-65.6	173.1	-154	0	0	112.5
623	E	78.2	Confident	86.9	Confident	133 Å²	133	57.2 Å²	57.2	62%	0.621	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.3	171.8	-69.7	-179.6	-132.7	0	0	113.8	N621 Y625	N621-E623 VanDerWaalsContact C-N 3.28Å; N621-E623 PolarHBondContact O-N 3.08Å; E623-Y625 HydrophobicContact CB-CD2 3.69Å; E623-Y625 HydrophobicContact CB-CE2 3.35Å; E623-Y625 HydrophobicContact CG-CE2 4.18Å; E623-Y625 PolarHBondContact O-N 2.95Å; E623-Y625 WeakPolarHBondContact OE2-CE2 3.43Å; E623-Y625 PolarHBondContact OE2-OH 3.17Å
624	G	81.6	Confident	86.8	Confident	21 Å²	21	59.3 Å²	59.3	22%	0.216	32%	0.317	C	S	.	.			trans	71.1	20.4	170.2	0	0	0	0	0	117	N621 F626 N638	N621-G624 PolarHBondContact O-N 3.49Å; G624-F626 PolarHBondContact O-N 2.59Å; G624-N638 VanDerWaalsContact O-CB 3.28Å; G624-N638 WeakPolarHBondContact O-CB 3.47Å; G624-N638 PolarHBondContact O-ND2 3.41Å
625	Y	84.2	Confident	86.7	Confident	35 Å²	35	58 Å²	58	14%	0.137	31%	0.309	C	S	.	.			trans	-63.4	-23.2	178.9	-68.1	-85	0	0	0	114.5	N621 E623 N638 F644	N621-Y625 PolarHBondContact OD1-N 2.59Å; E623-Y625 HydrophobicContact CB-CD2 3.69Å; E623-Y625 HydrophobicContact CB-CE2 3.35Å; E623-Y625 HydrophobicContact CG-CE2 4.18Å; E623-Y625 PolarHBondContact O-N 2.95Å; E623-Y625 WeakPolarHBondContact OE2-CE2 3.43Å; E623-Y625 PolarHBondContact OE2-OH 3.17Å; Y625-N638 WeakPolarHBondContact O-CB 3.12Å; Y625-N638 PolarHBondContact O-N 2.8Å; Y625-F644 AromaticContact CD1-CD2 3.94Å; Y625-F644 HydrophobicContact CD1-CD2 3.94Å; Y625-F644 AromaticContact CD2-CD2 3.44Å; Y625-F644 HydrophobicContact CD2-CD2 3.44Å; Y625-F644 VanDerWaalsContact CD2-CD2 3.44Å; Y625-F644 AromaticContact CD2-CE2 3.57Å; Y625-F644 HydrophobicContact CD2-CE2 3.57Å; Y625-F644 HydrophobicContact CE1-CD2 4.13Å; Y625-F644 AromaticContact CE2-CD2 3.62Å; Y625-F644 HydrophobicContact CE2-CD2 3.62Å; Y625-F644 AromaticContact CE2-CE2 3.89Å; Y625-F644 HydrophobicContact CE2-CE2 3.89Å; Y625-F644 AromaticContact CG-CD2 3.61Å; Y625-F644 HydrophobicContact CG-CD2 3.61Å; Y625-F644 HydrophobicContact CG-CE2 4.08Å
626	F	87.4	Confident	86.7	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.5	-179	-57.3	-85.5	0	0	0	111	V597 I617 N621 G624 I635 Q636 L641 F644 A649 L651 I671	V597-F626 HydrophobicContact CG1-CE1 4.28Å; V597-F626 HydrophobicContact CG2-CD1 4.27Å; V597-F626 HydrophobicContact CG2-CE1 4.24Å; I617-F626 HydrophobicContact CD1-CB 4.24Å; N621-F626 PolarHBondContact ND2-O 2.91Å; N621-F626 PolarHBondContact OD1-N 3.35Å; N621-F626 PolarHBondContact OD1-O 3.18Å; G624-F626 PolarHBondContact O-N 2.59Å; F626-I635 HydrophobicContact CB-CG2 4.17Å; F626-I635 HydrophobicContact CD1-CG2 4.15Å; F626-Q636 WeakPolarHBondContact CA-O 3.36Å; F626-L641 HydrophobicContact CE1-CD1 3.89Å; F626-L641 HydrophobicContact CE1-CD2 3.96Å; F626-L641 HydrophobicContact CZ-CD1 4.33Å; F626-L641 HydrophobicContact CZ-CD2 4.04Å; F626-F644 HydrophobicContact CE2-CE2 4.38Å; F626-A649 HydrophobicContact CE2-CB 3.71Å; F626-A649 HydrophobicContact CZ-CB 3.99Å; F626-L651 HydrophobicContact CB-CD1 3.9Å; F626-L651 HydrophobicContact CD1-CD1 4.24Å; F626-L651 HydrophobicContact CD2-CD1 3.89Å; F626-L651 HydrophobicContact CD2-CD2 3.89Å; F626-L651 HydrophobicContact CD2-CG 4.33Å; F626-L651 HydrophobicContact CE2-CD1 4.49Å; F626-L651 HydrophobicContact CE2-CD2 4.32Å; F626-L651 HydrophobicContact CG-CD1 3.74Å; F626-I671 HydrophobicContact CD1-CD1 4.19Å; F626-I671 HydrophobicContact CE1-CD1 3.81Å; F626-I671 HydrophobicContact CE1-CG2 4.45Å; F626-I671 HydrophobicContact CZ-CD1 4.06Å; F626-I671 HydrophobicContact CZ-CG2 4.45Å
627	V	88.8	Confident	86.4	Confident	67 Å²	67	59 Å²	59	41%	0.406	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.7	170.7	163.6	0	0	0	0	108.4	I635 Q636 N638	V627-I635 WeakPolarHBondContact O-CA 3.45Å; V627-Q636 PolarHBondContact N-O 3.45Å; V627-Q636 PolarHBondContact O-N 2.72Å; V627-N638 HydrophobicContact CG2-CB 3.88Å
628	I	90.4	Very high	86.1	Confident	19 Å²	19	61.5 Å²	61.5	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	172.4	-166.7	165.7	0	0	0	109.9	C615 I617 P630 K634 I635 V653	C615-I628 HydrophobicContact CB-CD1 3.59Å; C615-I628 HydrophobicContact CB-CG1 4.26Å; I617-I628 HydrophobicContact CD1-CB 3.92Å; I617-I628 HydrophobicContact CD1-CG2 4.03Å; I617-I628 HydrophobicContact CG1-CB 4.08Å; I617-I628 HydrophobicContact CG1-CG2 3.87Å; I628-P630 VanDerWaalsContact O-CD 3.31Å; I628-P630 WeakPolarHBondContact O-CD 3.36Å; I628-K634 WeakPolarHBondContact CA-O 3.17Å; I628-I635 HydrophobicContact CB-CG1 4.28Å; I628-I635 HydrophobicContact CD1-CD1 4.3Å; I628-I635 HydrophobicContact CD1-CG1 3.84Å; I628-I635 HydrophobicContact CG1-CG1 3.95Å; I628-V653 HydrophobicContact CD1-CG1 3.8Å
629	E	90	Very high	85.8	Confident	77 Å²	77	60 Å²	60	36%	0.36	32%	0.315	S	S	.	.			trans	-77.4	111.5	173.4	-178.1	178.6	-162.5	0	0	108.8	R631 T632 C633 K634	E629-R631 VanDerWaalsContact C-N 3.33Å; E629-R631 PolarHBondContact O-N 3.3Å; E629-R631 VanDerWaalsContact O-N 3.13Å; E629-T632 WeakPolarHBondContact CB-OG1 3.26Å; E629-T632 HydrophobicContact CG-CG2 3.98Å; E629-T632 WeakPolarHBondContact CG-OG1 3.47Å; E629-T632 PolarHBondContact O-N 2.91Å; E629-T632 WeakPolarHBondContact OE2-CB 3.01Å; E629-T632 VanDerWaalsContact OE2-CG2 3.27Å; E629-T632 WeakPolarHBondContact OE2-CG2 2.93Å; E629-T632 PolarHBondContact OE2-OG1 3.32Å; E629-C633 WeakPolarHBondContact O-CA 3.37Å; E629-C633 PolarHBondContact O-N 2.74Å; E629-K634 HydrophobicContact CB-CB 4.45Å; E629-K634 PolarHBondContact N-O 2.92Å; E629-K634 IonicContact OE2-NZ 2.83Å; E629-K634 PolarHBondContact OE2-NZ 3.29Å
630	P	87.9	Confident	85.6	Confident	71 Å²	71	59 Å²	59	46%	0.461	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.7	-160.7	-27.9	36.1	0	0	0	115.8	I614 C615 I628	I614-P630 WeakPolarHBondContact CA-O 2.96Å; I614-P630 HydrophobicContact CG2-CB 4.16Å; C615-P630 PolarHBondContact N-O 2.75Å; C615-P630 WeakPolarHBondContact O-CA 3.2Å; I628-P630 VanDerWaalsContact O-CD 3.31Å; I628-P630 WeakPolarHBondContact O-CD 3.36Å
631	R	86.7	Confident	85.4	Confident	177 Å²	177	57.3 Å²	57.3	67%	0.668	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-16.3	-178.8	-80.3	-177.2	156.1	170.9	-7.2	115.4	E612 E629	E612-R631 IonicContact OE1-CZ 3.53Å; E612-R631 IonicContact OE1-NE 3.35Å; E612-R631 PolarHBondContact OE1-NE 3.32Å; E612-R631 IonicContact OE1-NH2 2.87Å; E612-R631 PolarHBondContact OE1-NH2 2.69Å; E629-R631 VanDerWaalsContact C-N 3.33Å; E629-R631 PolarHBondContact O-N 3.3Å; E629-R631 VanDerWaalsContact O-N 3.13Å
632	T	86.9	Confident	84.9	Confident	47 Å²	47	61.1 Å²	61.1	29%	0.288	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-9.6	-179.7	80.3	0	0	0	0	112.5	E629 K634	E629-T632 WeakPolarHBondContact CB-OG1 3.26Å; E629-T632 HydrophobicContact CG-CG2 3.98Å; E629-T632 WeakPolarHBondContact CG-OG1 3.47Å; E629-T632 PolarHBondContact O-N 2.91Å; E629-T632 WeakPolarHBondContact OE2-CB 3.01Å; E629-T632 VanDerWaalsContact OE2-CG2 3.27Å; E629-T632 WeakPolarHBondContact OE2-CG2 2.93Å; E629-T632 PolarHBondContact OE2-OG1 3.32Å; T632-K634 PolarHBondContact O-N 2.62Å; T632-K634 WeakPolarHBondContact OG1-CD 3.43Å; T632-K634 VanDerWaalsContact OG1-CE 3.28Å; T632-K634 WeakPolarHBondContact OG1-CE 2.98Å; T632-K634 VanDerWaalsContact OG1-CG 3.3Å; T632-K634 WeakPolarHBondContact OG1-CG 3.44Å; T632-K634 PolarHBondContact OG1-N 3.44Å; T632-K634 PolarHBondContact OG1-NZ 3.4Å
633	C	88.6	Confident	84.5	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.074	30%	0.296	C	S	.	.			trans	57.8	21.2	177.4	-55.1	0	0	0	0	114.1	V600 C615 E629	V600-C633 HydrophobicContact CB-CB 4.22Å; V600-C633 PolarHBondContact N-O 3.45Å; V600-C633 WeakPolarHBondContact O-CB 3.29Å; C615-C633 HydrophobicContact CB-CB 3.67Å; C615-C633 WeakPolarHBondContact CB-SG 3.42Å; C615-C633 WeakPolarHBondContact SG-CB 3.11Å; C615-C633 CovalentContact SG-SG 2.02Å; C615-C633 PolarHBondContact SG-SG 3.01Å; E629-C633 WeakPolarHBondContact O-CA 3.37Å; E629-C633 PolarHBondContact O-N 2.74Å
634	K	90.3	Very high	84.4	Confident	75 Å²	75	52.8 Å²	52.8	33%	0.326	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.2	172	-68.5	174.7	-143.6	137.7	0	109.6	L596 V599 I628 E629 T632	L596-K634 HydrophobicContact CD1-CB 3.61Å; L596-K634 HydrophobicContact CD1-CD 4.26Å; L596-K634 HydrophobicContact CD1-CG 3.83Å; V599-K634 HydrophobicContact CG2-CG 4.04Å; I628-K634 WeakPolarHBondContact CA-O 3.17Å; E629-K634 HydrophobicContact CB-CB 4.45Å; E629-K634 PolarHBondContact N-O 2.92Å; E629-K634 IonicContact OE2-NZ 2.83Å; E629-K634 PolarHBondContact OE2-NZ 3.29Å; T632-K634 PolarHBondContact O-N 2.62Å; T632-K634 WeakPolarHBondContact OG1-CD 3.43Å; T632-K634 VanDerWaalsContact OG1-CE 3.28Å; T632-K634 WeakPolarHBondContact OG1-CE 2.98Å; T632-K634 VanDerWaalsContact OG1-CG 3.3Å; T632-K634 WeakPolarHBondContact OG1-CG 3.44Å; T632-K634 PolarHBondContact OG1-N 3.44Å; T632-K634 PolarHBondContact OG1-NZ 3.4Å
635	I	89.3	Confident	84	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.8	171.5	-56.7	179	0	0	0	107.7	V597 T598 V600 F626 V627 I628 L651 V653 L669	V597-I635 HydrophobicContact CB-CG2 4.48Å; V597-I635 WeakPolarHBondContact CB-O 3.31Å; V597-I635 PolarHBondContact N-O 2.99Å; T598-I635 HydrophobicContact CG2-CB 4.05Å; T598-I635 HydrophobicContact CG2-CD1 3.88Å; T598-I635 HydrophobicContact CG2-CG1 4.27Å; T598-I635 PolarHBondContact N-O 2.97Å; T598-I635 PolarHBondContact O-N 3.03Å; V600-I635 HydrophobicContact CG2-CD1 4.12Å; F626-I635 HydrophobicContact CB-CG2 4.17Å; F626-I635 HydrophobicContact CD1-CG2 4.15Å; V627-I635 WeakPolarHBondContact O-CA 3.45Å; I628-I635 HydrophobicContact CB-CG1 4.28Å; I628-I635 HydrophobicContact CD1-CD1 4.3Å; I628-I635 HydrophobicContact CD1-CG1 3.84Å; I628-I635 HydrophobicContact CG1-CG1 3.95Å; I635-L651 HydrophobicContact CG2-CD1 4.24Å; I635-V653 HydrophobicContact CD1-CG2 3.79Å; I635-L669 HydrophobicContact CD1-CD1 3.58Å
636	Q	89.9	Confident	83.7	Confident	58 Å²	58	59.2 Å²	59.2	27%	0.271	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154.8	179.8	-60.9	177.8	13	0	0	110.2	G594 R595 F626 V627	G594-Q636 PolarHBondContact O-OE1 3.42Å; R595-Q636 VanDerWaalsContact O-CA 3.26Å; R595-Q636 WeakPolarHBondContact O-CA 3.36Å; F626-Q636 WeakPolarHBondContact CA-O 3.36Å; V627-Q636 PolarHBondContact N-O 3.45Å; V627-Q636 PolarHBondContact O-N 2.72Å
637	A	85.6	Confident	83	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.5	167.3	0	0	0	0	0	109.4	T591 A593 G594 R595 V597 L641	T591-A637 HydrophobicContact CG2-CB 3.85Å; A593-A637 CarbonylContact C-O 3.51Å; A593-A637 WeakPolarHBondContact CA-O 3.34Å; G594-A637 PolarHBondContact N-O 2.79Å; R595-A637 PolarHBondContact O-N 3.31Å; V597-A637 HydrophobicContact CG2-CB 4.21Å; A637-L641 HydrophobicContact CB-CD1 4.17Å; A637-L641 HydrophobicContact CB-CD2 3.99Å; A637-L641 HydrophobicContact CB-CG 3.85Å
638	N	85.2	Confident	82.7	Confident	90 Å²	90	67.3 Å²	67.3	48%	0.481	34%	0.337	S	S	.	.	S	Bend	trans	-83.7	-36.5	175.6	-167.4	29.5	0	0	0	111.2	A593 G624 Y625 V627	A593-N638 VanDerWaalsContact CB-O 3.29Å; A593-N638 WeakPolarHBondContact CB-O 3.33Å; G624-N638 VanDerWaalsContact O-CB 3.28Å; G624-N638 WeakPolarHBondContact O-CB 3.47Å; G624-N638 PolarHBondContact O-ND2 3.41Å; Y625-N638 WeakPolarHBondContact O-CB 3.12Å; Y625-N638 PolarHBondContact O-N 2.8Å; V627-N638 HydrophobicContact CG2-CB 3.88Å
639	T	80.5	Confident	82.4	Confident	63 Å²	63	66.6 Å²	66.6	39%	0.387	33%	0.334	S	S	.	.	S	Bend	trans	-125.9	158.7	177.4	-59.6	0	0	0	0	108.2	L641	T639-L641 PolarHBondContact O-N 3.35Å
640	S	79.9	Confident	82.2	Confident	32 Å²	32	67 Å²	67	22%	0.224	34%	0.336	C	S	.	.			trans	-54.3	125.2	172.7	-176.8	0	0	0	0	111.1	E642 N643	S640-E642 PolarHBondContact O-N 3.33Å; S640-E642 VanDerWaalsContact O-N 3.16Å; S640-E642 WeakPolarHBondContact OG-CB 3.08Å; S640-E642 PolarHBondContact OG-N 2.95Å; S640-N643 PolarHBondContact O-N 3.3Å
641	L	78.1	Confident	82.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-72.7	-0.9	179.5	-57.1	-173.8	0	0	0	113.4	K589 T591 V597 F626 A637 T639 N643 F644 L673	K589-L641 CarbonylContact O-C 3.28Å; T591-L641 HydrophobicContact CG2-CD1 4.26Å; T591-L641 PolarHBondContact O-N 3.16Å; V597-L641 HydrophobicContact CG2-CD1 4.2Å; F626-L641 HydrophobicContact CE1-CD1 3.89Å; F626-L641 HydrophobicContact CE1-CD2 3.96Å; F626-L641 HydrophobicContact CZ-CD1 4.33Å; F626-L641 HydrophobicContact CZ-CD2 4.04Å; A637-L641 HydrophobicContact CB-CD1 4.17Å; A637-L641 HydrophobicContact CB-CD2 3.99Å; A637-L641 HydrophobicContact CB-CG 3.85Å; T639-L641 PolarHBondContact O-N 3.35Å; L641-N643 VanDerWaalsContact C-N 3.28Å; L641-F644 WeakPolarHBondContact O-CB 3.5Å; L641-F644 PolarHBondContact O-N 2.94Å; L641-L673 HydrophobicContact CB-CD2 4.33Å; L641-L673 HydrophobicContact CD1-CD2 3.85Å
642	E	74.8	Confident	82.4	Confident	118 Å²	118	56.6 Å²	56.6	55%	0.551	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-67.1	-30.9	173.5	-174.3	172.3	-150.4	0	0	111.9	K589 S640 F644	K589-E642 PolarHBondContact O-N 2.91Å; S640-E642 PolarHBondContact O-N 3.33Å; S640-E642 VanDerWaalsContact O-N 3.16Å; S640-E642 WeakPolarHBondContact OG-CB 3.08Å; S640-E642 PolarHBondContact OG-N 2.95Å; E642-F644 VanDerWaalsContact C-N 3.33Å
643	N	69.8	Low	82.6	Confident	116 Å²	116	54.4 Å²	54.4	62%	0.62	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-88.3	5.8	178.5	-66.8	-32.2	0	0	0	113.5	S640 L641	S640-N643 PolarHBondContact O-N 3.3Å; L641-N643 VanDerWaalsContact C-N 3.28Å
644	F	76.5	Confident	82.8	Confident	28 Å²	28	54.5 Å²	54.5	12%	0.123	28%	0.277	C	S	.	.			trans	-76.8	128.8	-176	-172.3	-104.3	0	0	0	111.3	Y625 F626 L641 E642 H646 A649 L673	Y625-F644 AromaticContact CD1-CD2 3.94Å; Y625-F644 HydrophobicContact CD1-CD2 3.94Å; Y625-F644 AromaticContact CD2-CD2 3.44Å; Y625-F644 HydrophobicContact CD2-CD2 3.44Å; Y625-F644 VanDerWaalsContact CD2-CD2 3.44Å; Y625-F644 AromaticContact CD2-CE2 3.57Å; Y625-F644 HydrophobicContact CD2-CE2 3.57Å; Y625-F644 HydrophobicContact CE1-CD2 4.13Å; Y625-F644 AromaticContact CE2-CD2 3.62Å; Y625-F644 HydrophobicContact CE2-CD2 3.62Å; Y625-F644 AromaticContact CE2-CE2 3.89Å; Y625-F644 HydrophobicContact CE2-CE2 3.89Å; Y625-F644 AromaticContact CG-CD2 3.61Å; Y625-F644 HydrophobicContact CG-CD2 3.61Å; Y625-F644 HydrophobicContact CG-CE2 4.08Å; F626-F644 HydrophobicContact CE2-CE2 4.38Å; L641-F644 WeakPolarHBondContact O-CB 3.5Å; L641-F644 PolarHBondContact O-N 2.94Å; E642-F644 VanDerWaalsContact C-N 3.33Å; F644-H646 VanDerWaalsContact C-N 3.3Å; F644-H646 HydrophobicContact CD1-CB 4.36Å; F644-H646 VanDerWaalsContact CD1-O 3.25Å; F644-H646 WeakPolarHBondContact CD1-O 3.42Å; F644-H646 HydrophobicContact CE1-CB 3.78Å; F644-H646 HydrophobicContact CZ-CB 4.46Å; F644-H646 PolarHBondContact O-N 3.45Å; F644-A649 HydrophobicContact CE1-CB 3.85Å; F644-A649 HydrophobicContact CE2-CB 4.44Å; F644-A649 HydrophobicContact CZ-CB 3.56Å; F644-L673 HydrophobicContact CB-CD1 4.24Å; F644-L673 HydrophobicContact CD1-CD1 3.35Å; F644-L673 HydrophobicContact CE1-CD1 3.99Å; F644-L673 HydrophobicContact CG-CD1 4.04Å
645	P	72.6	Confident	82.8	Confident	74 Å²	74	50.9 Å²	50.9	48%	0.481	26%	0.262	S	S	.	.	S	Bend	trans	-78.6	-1.4	-165.6	30.6	-37.3	0	0	0	115.8
646	H	78.1	Confident	82.9	Confident	117 Å²	117	56.4 Å²	56.4	54%	0.542	28%	0.283	S	S	.	.	S	Bend	trans	-131.1	156.2	-173.5	-56.8	-27.1	0	0	0	112.3	F644 H648	F644-H646 VanDerWaalsContact C-N 3.3Å; F644-H646 HydrophobicContact CD1-CB 4.36Å; F644-H646 VanDerWaalsContact CD1-O 3.25Å; F644-H646 WeakPolarHBondContact CD1-O 3.42Å; F644-H646 HydrophobicContact CE1-CB 3.78Å; F644-H646 HydrophobicContact CZ-CB 4.46Å; F644-H646 PolarHBondContact O-N 3.45Å; H646-H648 VanDerWaalsContact C-N 3.27Å; H646-H648 PolarHBondContact O-N 2.64Å
647	E	74.2	Confident	83	Confident	153 Å²	153	53.7 Å²	53.7	72%	0.715	27%	0.27	S	S	*	.	S	Bend	trans	-72.7	-21.2	179.6	-61.4	-171.9	149.5	0	0	113.3	L673	E647-L673 PolarHBondContact O-N 3.36Å
648	H	81.6	Confident	83.1	Confident	87 Å²	87	57 Å²	57	40%	0.403	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.1	176.1	59.4	-81.6	0	0	0	110.8	H646 I671 N672	H646-H648 VanDerWaalsContact C-N 3.27Å; H646-H648 PolarHBondContact O-N 2.64Å; H648-I671 CarbonylContact C-O 3.56Å; H648-I671 WeakPolarHBondContact CA-O 3.33Å; H648-N672 WeakPolarHBondContact CB-OD1 3.08Å
649	A	83.3	Confident	83.1	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.6	169.6	0	0	0	0	0	109.8	F626 F644 L669 K670 I671	F626-A649 HydrophobicContact CE2-CB 3.71Å; F626-A649 HydrophobicContact CZ-CB 3.99Å; F644-A649 HydrophobicContact CE1-CB 3.85Å; F644-A649 HydrophobicContact CE2-CB 4.44Å; F644-A649 HydrophobicContact CZ-CB 3.56Å; A649-L669 VanDerWaalsContact O-O 3.09Å; A649-K670 CarbonylContact O-C 3.54Å; A649-I671 HydrophobicContact CB-CB 4.36Å; A649-I671 PolarHBondContact N-O 2.76Å; A649-I671 PolarHBondContact O-N 3.35Å
650	E	87.5	Confident	83	Confident	84 Å²	84	57.2 Å²	57.2	39%	0.393	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	92.2	176.3	-57	-154.4	150.5	0	0	110.5	G620 V668 K670	G620-E650 WeakPolarHBondContact CA-O 3.22Å; E650-V668 HydrophobicContact CB-CG1 4.32Å; E650-K670 HydrophobicContact CG-CG 4.38Å; E650-K670 IonicContact OE1-NZ 2.6Å; E650-K670 PolarHBondContact OE1-NZ 2.76Å
651	L	88.8	Confident	83.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121	179.3	-58.6	-169.1	0	0	0	110.9	I617 G620 N621 F626 I635 V653 V668 L669 I671	I617-L651 HydrophobicContact CD1-CD1 4.16Å; G620-L651 VanDerWaalsContact O-CD2 3.25Å; G620-L651 WeakPolarHBondContact O-CD2 3.27Å; N621-L651 HydrophobicContact CB-CD2 4.03Å; F626-L651 HydrophobicContact CB-CD1 3.9Å; F626-L651 HydrophobicContact CD1-CD1 4.24Å; F626-L651 HydrophobicContact CD2-CD1 3.89Å; F626-L651 HydrophobicContact CD2-CD2 3.89Å; F626-L651 HydrophobicContact CD2-CG 4.33Å; F626-L651 HydrophobicContact CE2-CD1 4.49Å; F626-L651 HydrophobicContact CE2-CD2 4.32Å; F626-L651 HydrophobicContact CG-CD1 3.74Å; I635-L651 HydrophobicContact CG2-CD1 4.24Å; L651-V653 HydrophobicContact CB-CG2 4.4Å; L651-V653 PolarHBondContact O-N 2.79Å; L651-V668 WeakPolarHBondContact O-CA 3.25Å; L651-L669 HydrophobicContact CB-CB 4.48Å; L651-L669 PolarHBondContact N-O 3.04Å; L651-L669 PolarHBondContact O-N 2.79Å; L651-I671 HydrophobicContact CD1-CD1 3.51Å; L651-I671 HydrophobicContact CG-CD1 3.86Å
652	T	89.3	Confident	83.5	Confident	31 Å²	31	66.4 Å²	66.4	19%	0.19	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	103.9	165.5	-56.5	0	0	0	0	108.8	V618 S619 V654 A667	V618-T652 PolarHBondContact N-O 3.37Å; S619-T652 PolarHBondContact O-N 3.43Å; S619-T652 VanDerWaalsContact OG-CB 3.23Å; S619-T652 WeakPolarHBondContact OG-CB 3.26Å; S619-T652 PolarHBondContact OG-OG1 3.37Å; T652-V654 HydrophobicContact CG2-CG2 4.49Å; T652-A667 WeakPolarHBondContact CA-O 3.45Å
653	V	91	Very high	84.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.2	172.8	-174.7	0	0	0	0	108.9	V600 S616 I617 I628 I635 L651 K666 A667 L669	V600-V653 HydrophobicContact CG2-CG1 4.2Å; S616-V653 CarbonylContact O-C 3.16Å; S616-V653 WeakPolarHBondContact O-CA 3.49Å; S616-V653 WeakPolarHBondContact O-CG1 3.29Å; I617-V653 HydrophobicContact CG1-CG2 4.31Å; I628-V653 HydrophobicContact CD1-CG1 3.8Å; I635-V653 HydrophobicContact CD1-CG2 3.79Å; L651-V653 HydrophobicContact CB-CG2 4.4Å; L651-V653 PolarHBondContact O-N 2.79Å; V653-K666 WeakPolarHBondContact O-CA 3.03Å; V653-A667 PolarHBondContact N-O 2.65Å; V653-A667 PolarHBondContact O-N 3.1Å; V653-L669 HydrophobicContact CG2-CD1 3.66Å; V653-L669 HydrophobicContact CG2-CG 4.05Å
654	V	91.7	Very high	85.2	Confident	13 Å²	13	60.6 Å²	60.6	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.1	172.5	-177.5	0	0	0	0	108.6	S616 V618 T652 A665 K666	S616-V654 PolarHBondContact N-O 3.16Å; S616-V654 PolarHBondContact O-N 2.82Å; S616-V654 PolarHBondContact OG-O 2.91Å; V618-V654 HydrophobicContact CB-CG2 4.02Å; V618-V654 HydrophobicContact CG2-CB 3.89Å; V618-V654 HydrophobicContact CG2-CG2 3.48Å; V618-V654 VanDerWaalsContact CG2-CG2 3.48Å; T652-V654 HydrophobicContact CG2-CG2 4.49Å; V654-A665 WeakPolarHBondContact CA-O 3.41Å; V654-K666 HydrophobicContact CG1-CG 4.3Å; V654-K666 HydrophobicContact CG2-CB 4.32Å; V654-K666 HydrophobicContact CG2-CD 4.15Å; V654-K666 HydrophobicContact CG2-CG 3.89Å
655	V	92.1	Very high	85.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.2	165.8	-169.8	0	0	0	0	107.3	P571 I573 V600 A602 L613 C615 S664 A665	P571-V655 HydrophobicContact CB-CG1 4.21Å; I573-V655 HydrophobicContact CD1-CG2 3.87Å; I573-V655 HydrophobicContact CG1-CG2 3.83Å; V600-V655 HydrophobicContact CG1-CG2 3.81Å; A602-V655 HydrophobicContact CB-CB 4.36Å; A602-V655 HydrophobicContact CB-CG1 3.85Å; A602-V655 HydrophobicContact CB-CG2 4.22Å; L613-V655 HydrophobicContact CB-CG1 4.07Å; L613-V655 HydrophobicContact CD1-CG1 4.15Å; C615-V655 VanDerWaalsContact SG-CG2 3.55Å; V655-S664 CarbonylContact O-C 3.56Å; V655-S664 WeakPolarHBondContact O-CA 3.47Å; V655-S664 WeakPolarHBondContact O-CB 3.27Å; V655-A665 PolarHBondContact N-O 2.99Å; V655-A665 PolarHBondContact O-N 3.38Å
656	R	91.1	Very high	86.7	Confident	116 Å²	116	63 Å²	63	44%	0.438	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.1	172	59.3	173.8	178.9	-179.6	2.1	109.7	L613 I614 L663	L613-R656 CarbonylContact C-O 3.6Å; L613-R656 WeakPolarHBondContact CA-O 3.24Å; I614-R656 HydrophobicContact CB-CG 4.31Å; I614-R656 PolarHBondContact N-O 2.85Å; I614-R656 WeakPolarHBondContact O-CG 3.47Å; I614-R656 PolarHBondContact O-N 3.05Å; R656-L663 VanDerWaalsContact CA-O 3.25Å; R656-L663 WeakPolarHBondContact CA-O 3.47Å; R656-L663 WeakPolarHBondContact CB-O 3.41Å
657	D	92.3	Very high	87.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.297	C	S	.	.			trans	-74.5	-167.2	164.1	57.1	57.7	0	0	0	111.7	N567 N610 L613 G659 S662 L663	N567-D657 PolarHBondContact ND2-OD2 2.82Å; N567-D657 PolarHBondContact OD1-OD1 2.9Å; N567-D657 PolarHBondContact OD1-OD2 2.78Å; N610-D657 WeakPolarHBondContact O-CB 3.27Å; L613-D657 HydrophobicContact CD2-CB 4.22Å; D657-G659 PolarHBondContact OD1-N 2.78Å; D657-S662 WeakPolarHBondContact OD1-CA 3.45Å; D657-S662 WeakPolarHBondContact OD1-CB 3.37Å; D657-L663 PolarHBondContact N-O 3.08Å; D657-L663 PolarHBondContact OD1-N 3.12Å; D657-L663 VanDerWaalsContact OD2-CA 3.29Å; D657-L663 WeakPolarHBondContact OD2-CA 3.3Å; D657-L663 VanDerWaalsContact OD2-CB 3.3Å; D657-L663 WeakPolarHBondContact OD2-CB 3.31Å; D657-L663 PolarHBondContact OD2-N 2.68Å
658	Q	87.7	Confident	88	Confident	71 Å²	71	52.1 Å²	52.1	33%	0.332	28%	0.275	S	S	.	.			trans	-122.9	28.6	167.8	-73.5	172.7	94.8	0	0	112.3	V609 E612 I614	V609-Q658 HydrophobicContact CB-CB 4.46Å; V609-Q658 CarbonylContact O-C 3.31Å; V609-Q658 WeakPolarHBondContact O-CA 3.44Å; V609-Q658 WeakPolarHBondContact O-CB 3.33Å; V609-Q658 PolarHBondContact O-N 3.44Å; E612-Q658 WeakPolarHBondContact O-CG 3.09Å; E612-Q658 PolarHBondContact O-NE2 3.32Å; E612-Q658 PolarHBondContact OE1-NE2 2.73Å; I614-Q658 HydrophobicContact CD1-CG 3.71Å; I614-Q658 HydrophobicContact CG1-CG 4.11Å
659	G	84.1	Confident	88.4	Confident	13 Å²	13	48 Å²	48	13%	0.134	26%	0.256	C	S	.	.	S	Bend	trans	-69.2	169.7	173.7	0	0	0	0	0	113.6	N567 N610 D657	N567-G659 VanDerWaalsContact OD1-CA 3.29Å; N567-G659 WeakPolarHBondContact OD1-CA 3.28Å; N610-G659 WeakPolarHBondContact OD1-CA 3.22Å; D657-G659 PolarHBondContact OD1-N 2.78Å
660	T	78.4	Confident	88.6	Confident	143 Å²	143	50.9 Å²	50.9	88%	0.877	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.8	-178.6	43.6	0	0	0	0	113.3
661	E	81.9	Confident	88.6	Confident	166 Å²	166	46.9 Å²	46.9	78%	0.776	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.6	73.5	167.4	-66.4	-157.1	169.4	0	0	109.8	L663	E661-L663 PolarHBondContact O-N 2.8Å; E661-L663 VanDerWaalsContact O-N 3.09Å
662	S	86.1	Confident	88.3	Confident	60 Å²	60	48.5 Å²	48.5	42%	0.42	26%	0.257	S	S	.	.			trans	-57.8	116.3	-164.3	69.8	0	0	0	0	114.4	D657	D657-S662 WeakPolarHBondContact OD1-CA 3.45Å; D657-S662 WeakPolarHBondContact OD1-CB 3.37Å
663	L	90.6	Very high	87.9	Confident	58 Å²	58	47.6 Å²	47.6	30%	0.304	25%	0.251	S	S	.	.			trans	-78	165	174.7	-60.2	177.9	0	0	0	110.2	N567 P570 R656 D657 E661	N567-L663 WeakPolarHBondContact ND2-CG 3.45Å; N567-L663 WeakPolarHBondContact O-CD1 3.31Å; P570-L663 HydrophobicContact CB-CB 4.05Å; P570-L663 HydrophobicContact CB-CD1 4.11Å; R656-L663 VanDerWaalsContact CA-O 3.25Å; R656-L663 WeakPolarHBondContact CA-O 3.47Å; R656-L663 WeakPolarHBondContact CB-O 3.41Å; D657-L663 PolarHBondContact N-O 3.08Å; D657-L663 PolarHBondContact OD1-N 3.12Å; D657-L663 VanDerWaalsContact OD2-CA 3.29Å; D657-L663 WeakPolarHBondContact OD2-CA 3.3Å; D657-L663 VanDerWaalsContact OD2-CB 3.3Å; D657-L663 WeakPolarHBondContact OD2-CB 3.31Å; D657-L663 PolarHBondContact OD2-N 2.68Å; E661-L663 PolarHBondContact O-N 2.8Å; E661-L663 VanDerWaalsContact O-N 3.09Å
664	S	91.3	Very high	87.2	Confident	53 Å²	53	52.1 Å²	52.1	37%	0.371	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	143.1	-179.3	57.2	0	0	0	0	114.7	V655	V655-S664 CarbonylContact O-C 3.56Å; V655-S664 WeakPolarHBondContact O-CA 3.47Å; V655-S664 WeakPolarHBondContact O-CB 3.27Å
665	A	90.4	Very high	86	Confident	25 Å²	25	56.6 Å²	56.6	21%	0.207	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.7	165.3	0	0	0	0	0	111.3	P571 I573 V654 V655	P571-A665 WeakPolarHBondContact O-CB 3.05Å; I573-A665 HydrophobicContact CD1-CB 3.96Å; I573-A665 HydrophobicContact CG1-CB 4.1Å; V654-A665 WeakPolarHBondContact CA-O 3.41Å; V655-A665 PolarHBondContact N-O 2.99Å; V655-A665 PolarHBondContact O-N 3.38Å
666	K	89.7	Confident	84.2	Confident	127 Å²	127	63 Å²	63	55%	0.552	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	134.2	-178	-47.6	-168.1	179.8	175.8	0	109.3	V653 V654	V653-K666 WeakPolarHBondContact O-CA 3.03Å; V654-K666 HydrophobicContact CG1-CG 4.3Å; V654-K666 HydrophobicContact CG2-CB 4.32Å; V654-K666 HydrophobicContact CG2-CD 4.15Å; V654-K666 HydrophobicContact CG2-CG 3.89Å
667	A	89.9	Confident	82.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.4	177.9	0	0	0	0	0	110.8	I573 L578 F581 T652 V653 L669	I573-A667 HydrophobicContact CD1-CB 3.67Å; L578-A667 HydrophobicContact CD1-CB 3.84Å; L578-A667 HydrophobicContact CD2-CB 3.7Å; L578-A667 HydrophobicContact CG-CB 4.45Å; F581-A667 WeakPolarHBondContact O-CA 3.04Å; T652-A667 WeakPolarHBondContact CA-O 3.45Å; V653-A667 PolarHBondContact N-O 2.65Å; V653-A667 PolarHBondContact O-N 3.1Å; A667-L669 HydrophobicContact CB-CD2 4.25Å
668	V	90.2	Very high	80.3	Confident	43 Å²	43	71.3 Å²	71.3	26%	0.261	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.9	171.3	-176.5	0	0	0	0	108.7	F581 S582 A583 E650 L651	F581-V668 PolarHBondContact O-N 2.82Å; S582-V668 CarbonylContact C-O 3.59Å; S582-V668 WeakPolarHBondContact CA-O 3.45Å; A583-V668 PolarHBondContact N-O 2.04Å; E650-V668 HydrophobicContact CB-CG1 4.32Å; L651-V668 WeakPolarHBondContact O-CA 3.25Å
669	L	89.2	Confident	78.1	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110	178.2	-56.1	-173.4	0	0	0	109.6	P576 A583 V585 T598 V600 I635 A649 L651 V653 A667 I671	P576-L669 HydrophobicContact CG-CD2 3.62Å; A583-L669 HydrophobicContact CB-CD2 4.14Å; A583-L669 WeakPolarHBondContact O-CA 3.46Å; V585-L669 HydrophobicContact CG2-CB 4.23Å; V585-L669 HydrophobicContact CG2-CD2 4.3Å; T598-L669 HydrophobicContact CG2-CD1 4.21Å; V600-L669 HydrophobicContact CG2-CD1 3.76Å; I635-L669 HydrophobicContact CD1-CD1 3.58Å; A649-L669 VanDerWaalsContact O-O 3.09Å; L651-L669 HydrophobicContact CB-CB 4.48Å; L651-L669 PolarHBondContact N-O 3.04Å; L651-L669 PolarHBondContact O-N 2.79Å; V653-L669 HydrophobicContact CG2-CD1 3.66Å; V653-L669 HydrophobicContact CG2-CG 4.05Å; A667-L669 HydrophobicContact CB-CD2 4.25Å; L669-I671 HydrophobicContact CB-CG1 4.44Å; L669-I671 PolarHBondContact O-N 2.75Å
670	K	87.6	Confident	75.9	Confident	65 Å²	65	82.6 Å²	82.6	28%	0.283	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	92.7	172.3	-67.8	173.9	-178.2	-78	0	108.3	A583 D584 V585 A649 E650 N672	A583-K670 PolarHBondContact O-N 2.78Å; D584-K670 WeakPolarHBondContact OD1-CB 3.32Å; V585-K670 PolarHBondContact N-O 3Å; V585-K670 VanDerWaalsContact O-O 3.13Å; A649-K670 CarbonylContact O-C 3.54Å; E650-K670 HydrophobicContact CG-CG 4.38Å; E650-K670 IonicContact OE1-NZ 2.6Å; E650-K670 PolarHBondContact OE1-NZ 2.76Å; K670-N672 PolarHBondContact O-N 3.27Å; K670-N672 PolarHBondContact O-ND2 2.89Å
671	I	86.4	Confident	73.8	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	95.4	179.1	-56	176.7	0	0	0	108.2	V585 A587 V597 F626 H648 A649 L651 L669 L673	V585-I671 HydrophobicContact CB-CG1 4.08Å; V585-I671 HydrophobicContact CG1-CG1 4.19Å; V585-I671 CarbonylContact O-C 3.57Å; V585-I671 WeakPolarHBondContact O-CA 3.34Å; A587-I671 HydrophobicContact CB-CG2 3.71Å; V597-I671 HydrophobicContact CG1-CD1 4.16Å; V597-I671 HydrophobicContact CG1-CG2 3.98Å; F626-I671 HydrophobicContact CD1-CD1 4.19Å; F626-I671 HydrophobicContact CE1-CD1 3.81Å; F626-I671 HydrophobicContact CE1-CG2 4.45Å; F626-I671 HydrophobicContact CZ-CD1 4.06Å; F626-I671 HydrophobicContact CZ-CG2 4.45Å; H648-I671 CarbonylContact C-O 3.56Å; H648-I671 WeakPolarHBondContact CA-O 3.33Å; A649-I671 HydrophobicContact CB-CB 4.36Å; A649-I671 PolarHBondContact N-O 2.76Å; A649-I671 PolarHBondContact O-N 3.35Å; L651-I671 HydrophobicContact CD1-CD1 3.51Å; L651-I671 HydrophobicContact CG-CD1 3.86Å; L669-I671 HydrophobicContact CB-CG1 4.44Å; L669-I671 PolarHBondContact O-N 2.75Å; I671-L673 HydrophobicContact CG2-CD2 4.35Å
672	N	83.8	Confident	71.5	Confident	33 Å²	33	81.3 Å²	81.3	18%	0.176	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.5	177.8	-62.3	-61.7	0	0	0	109.9	D584 V585 A587 H648 K670 Y674	D584-N672 PolarHBondContact OD1-ND2 3.4Å; V585-N672 PolarHBondContact O-N 2.88Å; A587-N672 PolarHBondContact N-O 3.28Å; H648-N672 WeakPolarHBondContact CB-OD1 3.08Å; K670-N672 PolarHBondContact O-N 3.27Å; K670-N672 PolarHBondContact O-ND2 2.89Å; N672-Y674 HydrophobicContact CB-CE2 3.75Å; N672-Y674 WeakPolarHBondContact O-CD2 3.37Å; N672-Y674 WeakPolarHBondContact O-CE2 3.39Å
673	L	80.7	Confident	69.9	Low	13 Å²	13	84.5 Å²	84.5	7%	0.068	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	104.9	-168.9	-70.8	168.7	0	0	0	112.8	A587 K589 L641 F644 E647 I671	A587-L673 HydrophobicContact CB-CD2 3.86Å; K589-L673 HydrophobicContact CG-CB 3.9Å; L641-L673 HydrophobicContact CB-CD2 4.33Å; L641-L673 HydrophobicContact CD1-CD2 3.85Å; F644-L673 HydrophobicContact CB-CD1 4.24Å; F644-L673 HydrophobicContact CD1-CD1 3.35Å; F644-L673 HydrophobicContact CE1-CD1 3.99Å; F644-L673 HydrophobicContact CG-CD1 4.04Å; E647-L673 PolarHBondContact O-N 3.36Å; I671-L673 HydrophobicContact CG2-CD2 4.35Å
674	Y	75.3	Confident	66.8	Low	94 Å²	94	88.6 Å²	88.6	37%	0.369	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.8	-177.3	-57.1	-85.2	0	0	0	112.2	R586 A587 S588 K589 N672	R586-Y674 HydrophobicContact CB-CD2 4.27Å; R586-Y674 HydrophobicContact CB-CE2 3.87Å; R586-Y674 HydrophobicContact CG-CE2 3.81Å; A587-Y674 PolarHBondContact O-N 3Å; S588-Y674 VanDerWaalsContact CA-O 3.27Å; S588-Y674 WeakPolarHBondContact CA-O 3.37Å; S588-Y674 PolarHBondContact OG-O 3.38Å; K589-Y674 PolarHBondContact N-O 3.24Å; K589-Y674 VanDerWaalsContact N-O 3.15Å; N672-Y674 HydrophobicContact CB-CE2 3.75Å; N672-Y674 WeakPolarHBondContact O-CD2 3.37Å; N672-Y674 WeakPolarHBondContact O-CE2 3.39Å
675	E	67.3	Low	63.9	Low	108 Å²	108	92 Å²	92	51%	0.505	46%	0.459	S	S	.	.	S	Bend	trans	-70.1	-57.3	171.8	-72.4	164.9	-161.1	0	0	110.5	K589 F590	K589-E675 HydrophobicContact CB-CG 4.46Å; K589-E675 HydrophobicContact CD-CG 3.62Å; K589-E675 HydrophobicContact CG-CG 4.18Å; K589-E675 IonicContact NZ-OE1 2.71Å; K589-E675 PolarHBondContact NZ-OE1 2.92Å; F590-E675 VanDerWaalsContact CE2-O 3.31Å; F590-E675 WeakPolarHBondContact CE2-O 3.21Å
676	N	55.2	Low	61.4	Low	135 Å²	135	99.7 Å²	99.7	72%	0.722	49%	0.491	S	S	*	.			trans	-103.3	94.9	176.4	-80.4	-68.3	0	0	0	110.9	K678	N676-K678 PolarHBondContact O-N 3.06Å
677	M	52	Low	58.8	Low	123 Å²	123	96.8 Å²	96.8	61%	0.606	50%	0.498	S	S	*	.			trans	-74.6	33.9	168	-156.6	-175.6	-73.9	0	0	112.4
678	K	47.9	Very low	56.1	Low	168 Å²	168	105.8 Å²	105.8	73%	0.73	54%	0.539	S	S	*	.	S	Bend	trans	-137.9	127.7	171.7	-76.2	-176.7	177.7	174.4	0	108.8	N676	N676-K678 PolarHBondContact O-N 3.06Å
679	N	42.4	Very low	53.6	Low	150 Å²	150	109 Å²	109	80%	0.802	56%	0.564	S	S	*	*			trans	72.5	76.5	166.2	-48.6	-18.9	0	0	0	117.6
680	H	37.2	Very low	51.4	Low	170 Å²	170	114.4 Å²	114.4	79%	0.787	60%	0.599	S	S	*	*				-159.1	145.9	112.1	-116.3	47.6	0	0	0	114.5
681	I	34.9	Very low	49.3	Very low	136 Å²	136	119.7 Å²	119.7	70%	0.697	62%	0.622	S	S	*	*			trans	64.9	131.5	156.8	-62.4	165	0	0	0	116.5
682	Q	33.1	Very low	47.9	Very low	147 Å²	147	123.7 Å²	123.7	69%	0.687	64%	0.644	S	S	*	*			cis	-168.7	156.4	-24.2	-121.1	167.9	-1.1	0	0	107.1	M684	Q682-M684 PolarHBondContact O-N 2.88Å
683	P	52.8	Low	46.7	Very low	126 Å²	126	128 Å²	128	82%	0.818	67%	0.666	S	S	*	*			trans	-86.8	99	167.3	32.8	-30	0	0	0	111.1
684	M	26.7	Very low	45.7	Very low	144 Å²	144	131.2 Å²	131.2	71%	0.709	69%	0.689	S	S	*	*			trans	-148.1	147.3	165.9	-79.6	-164.6	76	0	0	108.6	Q682	Q682-M684 PolarHBondContact O-N 2.88Å
685	D	29.9	Very low	44.9	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	70%	0.702	S	S	*	*			cis	-144.5	160.1	-0.6	-156.1	-3.5	0	0	0	111.5	G687	D685-G687 PolarHBondContact O-N 3.18Å; D685-G687 VanDerWaalsContact O-N 3.08Å
686	Q	38.3	Very low	44.7	Very low	186 Å²	186	135.6 Å²	135.6	87%	0.869	71%	0.707	S	S	*	*			trans	-80.2	71.9	159.4	-75.9	-169.5	-22.8	0	0	109.4	E688	Q686-E688 PolarHBondContact O-N 2.84Å; Q686-E688 VanDerWaalsContact O-N 3.09Å
687	G	33.2	Very low	45.4	Very low	67 Å²	67	133.9 Å²	133.9	69%	0.691	70%	0.697	S	S	*	*			trans	-54.5	115.5	175.4	0	0	0	0	0	111.3	D685	D685-G687 PolarHBondContact O-N 3.18Å; D685-G687 VanDerWaalsContact O-N 3.08Å
688	E	33.7	Very low	46.2	Very low	188 Å²	188	133.2 Å²	133.2	88%	0.879	69%	0.694	S	S	*	*			trans	-56.2	137	-174.4	-59.7	-176.3	122.2	0	0	111.8	Q686 P690	Q686-E688 PolarHBondContact O-N 2.84Å; Q686-E688 VanDerWaalsContact O-N 3.09Å; E688-P690 WeakPolarHBondContact O-CD 3.35Å
689	S	37.4	Very low	47.2	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	69%	0.686	S	S	*	*			trans	-74.9	114.6	173.4	62.1	0	0	0	0	110.6	F691	S689-F691 PolarHBondContact O-N 3.1Å; S689-F691 VanDerWaalsContact O-N 3.11Å
690	P	42.7	Very low	48.7	Very low	112 Å²	112	128.1 Å²	128.1	73%	0.727	67%	0.673	S	S	*	*			trans	-73.8	108.2	178.7	29.7	-34	0	0	0	111	E688	E688-P690 WeakPolarHBondContact O-CD 3.35Å
691	F	43.8	Very low	50.6	Low	176 Å²	176	125.3 Å²	125.3	77%	0.772	66%	0.663	S	S	*	*	S	Bend	trans	35.8	97.2	154.2	-74.7	-97.1	0	0	0	119.1	S689 I693	S689-F691 PolarHBondContact O-N 3.1Å; S689-F691 VanDerWaalsContact O-N 3.11Å; F691-I693 PolarHBondContact O-N 3.41Å
692	N	57.7	Low	52.4	Low	84 Å²	84	120.9 Å²	120.9	45%	0.449	65%	0.651	S	S	.	*				60.6	22.8	128.2	-73.6	-71.4	0	0	0	119.9	S694 R695 M696	N692-S694 PolarHBondContact O-N 3.05Å; N692-R695 HydrophobicContact CB-CB 4.38Å; N692-R695 PolarHBondContact O-N 2.93Å; N692-R695 VanDerWaalsContact OD1-CD 3.26Å; N692-R695 WeakPolarHBondContact OD1-CD 3.44Å; N692-R695 PolarHBondContact OD1-NE 3.27Å; N692-M696 PolarHBondContact O-N 2.88Å
693	I	58.7	Low	54.7	Low	125 Å²	125	118.1 Å²	118.1	64%	0.641	64%	0.644	S	S	*	*	H	α-helix	trans	-52.4	-40.5	169.7	-61.7	176.1	0	0	0	111.2	F691 R695 M696 I697	F691-I693 PolarHBondContact O-N 3.41Å; I693-R695 VanDerWaalsContact C-N 3.34Å; I693-R695 PolarHBondContact O-N 2.84Å; I693-M696 PolarHBondContact O-N 3.21Å; I693-M696 VanDerWaalsContact O-N 3.15Å; I693-I697 HydrophobicContact CG2-CD1 3.88Å; I693-I697 HydrophobicContact CG2-CG1 4.32Å; I693-I697 WeakPolarHBondContact O-CG1 3.36Å; I693-I697 PolarHBondContact O-N 2.91Å
694	S	59	Low	56	Low	79 Å²	79	115.6 Å²	115.6	55%	0.552	63%	0.626	S	S	*	*	H	α-helix	trans	-53.4	-43.9	173.8	170.2	0	0	0	0	113.4	N692 I697 I698	N692-S694 PolarHBondContact O-N 3.05Å; S694-I697 PolarHBondContact O-N 2.71Å; S694-I698 VanDerWaalsContact O-CG1 3.28Å; S694-I698 WeakPolarHBondContact O-CG1 3.3Å; S694-I698 PolarHBondContact O-N 2.92Å
695	R	59.4	Low	58.7	Low	170 Å²	170	112.3 Å²	112.3	64%	0.642	61%	0.614	S	S	*	*	H	α-helix	trans	-69.7	-36.3	178.3	-69.3	-169.1	180	177.2	-0	112.3	N692 I693 I698 I699	N692-R695 HydrophobicContact CB-CB 4.38Å; N692-R695 PolarHBondContact O-N 2.93Å; N692-R695 VanDerWaalsContact OD1-CD 3.26Å; N692-R695 WeakPolarHBondContact OD1-CD 3.44Å; N692-R695 PolarHBondContact OD1-NE 3.27Å; I693-R695 VanDerWaalsContact C-N 3.34Å; I693-R695 PolarHBondContact O-N 2.84Å; R695-I698 PolarHBondContact O-N 2.74Å; R695-I699 WeakPolarHBondContact O-CB 3.34Å; R695-I699 WeakPolarHBondContact O-CD1 3.29Å; R695-I699 VanDerWaalsContact O-CG1 3.24Å; R695-I699 WeakPolarHBondContact O-CG1 3.37Å; R695-I699 PolarHBondContact O-N 2.78Å
696	M	62.8	Low	61	Low	124 Å²	124	107.9 Å²	107.9	61%	0.611	60%	0.598	S	S	*	*	H	α-helix	trans	-63.8	-44.4	172.7	-84.3	-65	-172.4	0	0	111.8	N692 I693 I698 I699 I700	N692-M696 PolarHBondContact O-N 2.88Å; I693-M696 PolarHBondContact O-N 3.21Å; I693-M696 VanDerWaalsContact O-N 3.15Å; M696-I698 PolarHBondContact O-N 3.32Å; M696-I699 PolarHBondContact O-N 2.98Å; M696-I700 WeakPolarHBondContact O-CB 3.35Å; M696-I700 VanDerWaalsContact O-CG1 3.27Å; M696-I700 WeakPolarHBondContact O-CG1 3.46Å; M696-I700 PolarHBondContact O-N 2.91Å
697	I	69.4	Low	63	Low	100 Å²	100	105.9 Å²	105.9	51%	0.513	59%	0.586	S	S	.	*	H	α-helix	trans	-60.4	-46.2	175.9	-67.3	172.2	0	0	0	110.7	I693 S694 I699 I700 L701	I693-I697 HydrophobicContact CG2-CD1 3.88Å; I693-I697 HydrophobicContact CG2-CG1 4.32Å; I693-I697 WeakPolarHBondContact O-CG1 3.36Å; I693-I697 PolarHBondContact O-N 2.91Å; S694-I697 PolarHBondContact O-N 2.71Å; I697-I699 VanDerWaalsContact C-N 3.35Å; I697-I699 PolarHBondContact O-N 3.32Å; I697-I700 PolarHBondContact O-N 2.84Å; I697-L701 VanDerWaalsContact O-CB 3.31Å; I697-L701 WeakPolarHBondContact O-CB 3.33Å; I697-L701 PolarHBondContact O-N 2.88Å
698	I	68.6	Low	65.1	Low	108 Å²	108	107.4 Å²	107.4	55%	0.554	58%	0.578	S	S	*	*	H	α-helix	trans	-62.5	-39.6	178.3	-68.8	164.6	0	0	0	111.8	S694 R695 M696 G702	S694-I698 VanDerWaalsContact O-CG1 3.28Å; S694-I698 WeakPolarHBondContact O-CG1 3.3Å; S694-I698 PolarHBondContact O-N 2.92Å; R695-I698 PolarHBondContact O-N 2.74Å; M696-I698 PolarHBondContact O-N 3.32Å; I698-G702 PolarHBondContact O-N 2.83Å
699	I	69.4	Low	67.3	Low	107 Å²	107	103.5 Å²	103.5	55%	0.549	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-44.7	176.4	-70.4	165.1	0	0	0	111	R695 M696 I697 G702 V703	R695-I699 WeakPolarHBondContact O-CB 3.34Å; R695-I699 WeakPolarHBondContact O-CD1 3.29Å; R695-I699 VanDerWaalsContact O-CG1 3.24Å; R695-I699 WeakPolarHBondContact O-CG1 3.37Å; R695-I699 PolarHBondContact O-N 2.78Å; M696-I699 PolarHBondContact O-N 2.98Å; I697-I699 VanDerWaalsContact C-N 3.35Å; I697-I699 PolarHBondContact O-N 3.32Å; I699-G702 PolarHBondContact O-N 3.5Å; I699-V703 WeakPolarHBondContact O-CG2 3.41Å; I699-V703 PolarHBondContact O-N 3.13Å
700	I	74.9	Confident	69.3	Low	104 Å²	104	103 Å²	103	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-46	177.4	-68.4	164.6	0	0	0	110.5	M696 I697 G702 V703 V704	M696-I700 WeakPolarHBondContact O-CB 3.35Å; M696-I700 VanDerWaalsContact O-CG1 3.27Å; M696-I700 WeakPolarHBondContact O-CG1 3.46Å; M696-I700 PolarHBondContact O-N 2.91Å; I697-I700 PolarHBondContact O-N 2.84Å; I700-G702 VanDerWaalsContact C-N 3.33Å; I700-G702 PolarHBondContact O-N 2.9Å; I700-V703 PolarHBondContact O-N 2.79Å; I700-V704 WeakPolarHBondContact O-CG2 3.24Å; I700-V704 PolarHBondContact O-N 3.49Å
701	L	75.5	Confident	71	Confident	111 Å²	111	102.6 Å²	102.6	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-62.7	-40.9	177.2	-149.7	78.9	0	0	0	111.2	I697 V703 V704 V705	I697-L701 VanDerWaalsContact O-CB 3.31Å; I697-L701 WeakPolarHBondContact O-CB 3.33Å; I697-L701 PolarHBondContact O-N 2.88Å; L701-V703 PolarHBondContact O-N 2.8Å; L701-V704 PolarHBondContact O-N 2.74Å; L701-V705 WeakPolarHBondContact O-CB 3.48Å; L701-V705 VanDerWaalsContact O-CG2 3.32Å; L701-V705 WeakPolarHBondContact O-CG2 3.41Å; L701-V705 PolarHBondContact O-N 2.96Å
702	G	74.1	Confident	72.6	Confident	43 Å²	43	99.8 Å²	99.8	44%	0.443	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-38.4	174.4	0	0	0	0	0	113.4	I698 I699 I700 G706	I698-G702 PolarHBondContact O-N 2.83Å; I699-G702 PolarHBondContact O-N 3.5Å; I700-G702 VanDerWaalsContact C-N 3.33Å; I700-G702 PolarHBondContact O-N 2.9Å; G702-G706 PolarHBondContact O-N 2.61Å
703	V	80.8	Confident	73.5	Confident	89 Å²	89	100 Å²	100	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-40.3	173.7	170.9	0	0	0	0	111.5	I699 I700 L701 G706 K707	I699-V703 WeakPolarHBondContact O-CG2 3.41Å; I699-V703 PolarHBondContact O-N 3.13Å; I700-V703 PolarHBondContact O-N 2.79Å; L701-V703 PolarHBondContact O-N 2.8Å; V703-G706 PolarHBondContact O-N 3.1Å; V703-K707 VanDerWaalsContact O-CG 3.29Å; V703-K707 WeakPolarHBondContact O-CG 3.23Å; V703-K707 PolarHBondContact O-N 3.09Å
704	V	80.7	Confident	74	Confident	74 Å²	74	96.7 Å²	96.7	45%	0.448	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-46.3	176.6	171.7	0	0	0	0	111.5	I700 L701 G706 K707 L708	I700-V704 WeakPolarHBondContact O-CG2 3.24Å; I700-V704 PolarHBondContact O-N 3.49Å; L701-V704 PolarHBondContact O-N 2.74Å; V704-G706 VanDerWaalsContact C-N 3.34Å; V704-G706 PolarHBondContact O-N 3.01Å; V704-K707 PolarHBondContact O-N 2.85Å; V704-L708 HydrophobicContact CG1-CD1 4.23Å; V704-L708 PolarHBondContact O-N 2.62Å
705	V	82.6	Confident	74.5	Confident	74 Å²	74	99.6 Å²	99.6	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-39.5	175.2	171.7	0	0	0	0	111	L701 L708 L709	L701-V705 WeakPolarHBondContact O-CB 3.48Å; L701-V705 VanDerWaalsContact O-CG2 3.32Å; L701-V705 WeakPolarHBondContact O-CG2 3.41Å; L701-V705 PolarHBondContact O-N 2.96Å; V705-L708 PolarHBondContact O-N 2.88Å; V705-L709 HydrophobicContact CG1-CD1 4.13Å; V705-L709 WeakPolarHBondContact O-CB 3.48Å; V705-L709 PolarHBondContact O-N 2.89Å
706	G	79	Confident	74.9	Confident	32 Å²	32	95 Å²	95	33%	0.33	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-42	173	0	0	0	0	0	113	G702 V703 V704 L709 V710	G702-G706 PolarHBondContact O-N 2.61Å; V703-G706 PolarHBondContact O-N 3.1Å; V704-G706 VanDerWaalsContact C-N 3.34Å; V704-G706 PolarHBondContact O-N 3.01Å; G706-L709 PolarHBondContact O-N 2.93Å; G706-V710 WeakPolarHBondContact O-CG2 3.4Å; G706-V710 PolarHBondContact O-N 3.14Å
707	K	78.7	Confident	75	Confident	144 Å²	144	93 Å²	93	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-44.2	173.4	-74	-76.6	-176.4	175.1	0	111.8	V703 V704 V710 I711	V703-K707 VanDerWaalsContact O-CG 3.29Å; V703-K707 WeakPolarHBondContact O-CG 3.23Å; V703-K707 PolarHBondContact O-N 3.09Å; V704-K707 PolarHBondContact O-N 2.85Å; K707-V710 PolarHBondContact O-N 3.13Å; K707-I711 VanDerWaalsContact O-CG1 3.31Å; K707-I711 WeakPolarHBondContact O-CG1 3.42Å; K707-I711 PolarHBondContact O-N 3.05Å
708	L	77.5	Confident	74.4	Confident	99 Å²	99	97.6 Å²	97.6	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-39.9	176.2	-78.7	167	0	0	0	112.5	V704 V705 I711 M712	V704-L708 HydrophobicContact CG1-CD1 4.23Å; V704-L708 PolarHBondContact O-N 2.62Å; V705-L708 PolarHBondContact O-N 2.88Å; L708-I711 PolarHBondContact O-N 2.96Å; L708-M712 WeakPolarHBondContact O-CB 3.23Å; L708-M712 PolarHBondContact O-N 2.83Å
709	L	80.6	Confident	73.8	Confident	106 Å²	106	94.8 Å²	94.8	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-64	-41.5	174.1	-83.6	167.3	0	0	0	112.3	V705 G706 I711 M712 V713	V705-L709 HydrophobicContact CG1-CD1 4.13Å; V705-L709 WeakPolarHBondContact O-CB 3.48Å; V705-L709 PolarHBondContact O-N 2.89Å; G706-L709 PolarHBondContact O-N 2.93Å; L709-I711 VanDerWaalsContact C-N 3.33Å; L709-I711 PolarHBondContact O-N 3.08Å; L709-M712 PolarHBondContact O-N 3.33Å; L709-V713 WeakPolarHBondContact O-CB 3.48Å; L709-V713 WeakPolarHBondContact O-CG2 3.38Å; L709-V713 PolarHBondContact O-N 2.84Å
710	V	79.6	Confident	73.2	Confident	103 Å²	103	94.6 Å²	94.6	62%	0.624	52%	0.52	S	S	*	.	H	α-helix	trans	-64	-38.9	174.4	170.7	0	0	0	0	111.4	G706 K707 V713 A714	G706-V710 WeakPolarHBondContact O-CG2 3.4Å; G706-V710 PolarHBondContact O-N 3.14Å; K707-V710 PolarHBondContact O-N 3.13Å; V710-V713 PolarHBondContact O-N 3.04Å; V710-A714 WeakPolarHBondContact O-CB 3.12Å; V710-A714 PolarHBondContact O-N 3.2Å
711	I	78.4	Confident	72.1	Confident	102 Å²	102	100.6 Å²	100.6	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-44.4	174.5	-68.5	163.9	0	0	0	110.9	K707 L708 L709 A714 F715	K707-I711 VanDerWaalsContact O-CG1 3.31Å; K707-I711 WeakPolarHBondContact O-CG1 3.42Å; K707-I711 PolarHBondContact O-N 3.05Å; L708-I711 PolarHBondContact O-N 2.96Å; L709-I711 VanDerWaalsContact C-N 3.33Å; L709-I711 PolarHBondContact O-N 3.08Å; I711-A714 WeakPolarHBondContact O-CB 3.22Å; I711-A714 PolarHBondContact O-N 3.24Å; I711-F715 PolarHBondContact O-N 2.85Å
712	M	76.3	Confident	70.7	Confident	117 Å²	117	102.6 Å²	102.6	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-61	-43.9	175.3	-85.3	-69.4	-71.6	0	0	112.4	L708 L709 F715 V716	L708-M712 WeakPolarHBondContact O-CB 3.23Å; L708-M712 PolarHBondContact O-N 2.83Å; L709-M712 PolarHBondContact O-N 3.33Å; M712-F715 PolarHBondContact O-N 2.86Å; M712-V716 WeakPolarHBondContact O-CB 3.48Å; M712-V716 VanDerWaalsContact O-CG2 3.25Å; M712-V716 WeakPolarHBondContact O-CG2 3.32Å; M712-V716 PolarHBondContact O-N 2.77Å
713	V	76.9	Confident	69.2	Low	89 Å²	89	107.3 Å²	107.3	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-66.4	-37.6	176.2	171.4	0	0	0	0	111.1	L709 V710 T717	L709-V713 WeakPolarHBondContact O-CB 3.48Å; L709-V713 WeakPolarHBondContact O-CG2 3.38Å; L709-V713 PolarHBondContact O-N 2.84Å; V710-V713 PolarHBondContact O-N 3.04Å; V713-T717 HydrophobicContact CG1-CG2 4.32Å; V713-T717 WeakPolarHBondContact O-CG2 3.35Å; V713-T717 WeakPolarHBondContact O-CB 3.47Å; V713-T717 PolarHBondContact O-OG1 3.04Å; V713-T717 PolarHBondContact O-N 3.13Å
714	A	70.6	Confident	67.5	Low	55 Å²	55	112.5 Å²	112.5	46%	0.455	57%	0.566	S	S	.	*	H	α-helix	trans	-63.7	-38.7	172.2	0	0	0	0	0	112.3	V710 I711 T717 R718	V710-A714 WeakPolarHBondContact O-CB 3.12Å; V710-A714 PolarHBondContact O-N 3.2Å; I711-A714 WeakPolarHBondContact O-CB 3.22Å; I711-A714 PolarHBondContact O-N 3.24Å; A714-T717 WeakPolarHBondContact CA-OG1 3.46Å; A714-T717 PolarHBondContact O-OG1 2.76Å; A714-R718 WeakPolarHBondContact O-CB 3.34Å; A714-R718 PolarHBondContact O-N 3.33Å
715	F	67.9	Low	65.5	Low	141 Å²	141	117.7 Å²	117.7	62%	0.618	59%	0.586	S	S	*	*	H	α-helix	trans	-68.3	-46.9	176.1	-131.6	-86.7	0	0	0	111.6	I711 M712 R718 C719	I711-F715 PolarHBondContact O-N 2.85Å; M712-F715 PolarHBondContact O-N 2.86Å; F715-R718 PolarHBondContact O-N 2.93Å; F715-C719 VanDerWaalsContact O-SG 3.36Å; F715-C719 PolarHBondContact O-SG 3.4Å; F715-C719 PolarHBondContact O-N 3.12Å; F715-C719 WeakPolarHBondContact O-CB 3.48Å
716	V	68.1	Low	63.3	Low	72 Å²	72	119 Å²	119	44%	0.436	61%	0.605	S	S	.	*	H	α-helix	trans	-64.3	-41.4	178.6	171	0	0	0	0	111.6	M712 C719 N720	M712-V716 WeakPolarHBondContact O-CB 3.48Å; M712-V716 VanDerWaalsContact O-CG2 3.25Å; M712-V716 WeakPolarHBondContact O-CG2 3.32Å; M712-V716 PolarHBondContact O-N 2.77Å; V716-C719 PolarHBondContact O-N 2.87Å; V716-N720 VanDerWaalsContact O-CB 3.28Å; V716-N720 WeakPolarHBondContact O-CB 3.44Å; V716-N720 PolarHBondContact O-N 2.86Å
717	T	65.4	Low	61.2	Low	84 Å²	84	128.2 Å²	128.2	52%	0.515	63%	0.629	S	S	.	*	H	α-helix	trans	-68.6	-33.1	176.2	50.2	0	0	0	0	112.6	V713 A714 R721	V713-T717 HydrophobicContact CG1-CG2 4.32Å; V713-T717 WeakPolarHBondContact O-CG2 3.35Å; V713-T717 WeakPolarHBondContact O-CB 3.47Å; V713-T717 PolarHBondContact O-OG1 3.04Å; V713-T717 PolarHBondContact O-N 3.13Å; A714-T717 WeakPolarHBondContact CA-OG1 3.46Å; A714-T717 PolarHBondContact O-OG1 2.76Å; T717-R721 PolarHBondContact O-N 2.98Å
718	R	57.8	Low	59.1	Low	196 Å²	196	130.1 Å²	130.1	74%	0.74	64%	0.64	S	S	*	*	H	α-helix	trans	-66.7	-51	170.9	-166.9	168.8	-176.3	153.5	-0.3	111.4	A714 F715 N720 R721	A714-R718 WeakPolarHBondContact O-CB 3.34Å; A714-R718 PolarHBondContact O-N 3.33Å; F715-R718 PolarHBondContact O-N 2.93Å; R718-N720 VanDerWaalsContact C-N 3.29Å; R718-N720 PolarHBondContact O-N 3.35Å; R718-R721 VanDerWaalsContact O-N 3.1Å; R718-R721 PolarHBondContact O-N 2.82Å
719	C	56.1	Low	56.9	Low	48 Å²	48	130.3 Å²	130.3	32%	0.324	65%	0.65	S	S	.	*	H	α-helix	trans	-66.5	-23.8	179.1	-67.8	0	0	0	0	114.5	F715 V716 K723	F715-C719 VanDerWaalsContact O-SG 3.36Å; F715-C719 PolarHBondContact O-SG 3.4Å; F715-C719 PolarHBondContact O-N 3.12Å; F715-C719 WeakPolarHBondContact O-CB 3.48Å; V716-C719 PolarHBondContact O-N 2.87Å; C719-K723 WeakPolarHBondContact O-CD 3.23Å; C719-K723 WeakPolarHBondContact O-CG 3.33Å
720	N	56.6	Low	54.7	Low	103 Å²	103	136 Å²	136	55%	0.551	67%	0.665	S	S	*	*	H	α-helix	trans	-83	-16.7	173.6	-77.5	-10.9	0	0	0	113.1	V716 R718 E722	V716-N720 VanDerWaalsContact O-CB 3.28Å; V716-N720 WeakPolarHBondContact O-CB 3.44Å; V716-N720 PolarHBondContact O-N 2.86Å; R718-N720 VanDerWaalsContact C-N 3.29Å; R718-N720 PolarHBondContact O-N 3.35Å; N720-E722 PolarHBondContact O-N 3.17Å
721	R	50	Low	52.3	Low	230 Å²	230	138.5 Å²	138.5	87%	0.868	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-10.6	175.4	-142	175.7	96.3	157.4	5.8	113.7	T717 R718	T717-R721 PolarHBondContact O-N 2.98Å; R718-R721 VanDerWaalsContact O-N 3.1Å; R718-R721 PolarHBondContact O-N 2.82Å
722	E	46.9	Very low	50	Low	153 Å²	153	139.9 Å²	139.9	72%	0.715	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	11.4	176.4	-67.9	171.3	158.2	0	0	112.3	N720	N720-E722 PolarHBondContact O-N 3.17Å
723	K	42.7	Very low	47.8	Very low	143 Å²	143	146.2 Å²	146.2	62%	0.622	71%	0.71	S	S	*	*			trans	-106	37.6	178.7	-76.8	176.4	-179.3	170.1	0	114.4	C719	C719-K723 WeakPolarHBondContact O-CD 3.23Å; C719-K723 WeakPolarHBondContact O-CG 3.33Å
724	K	44.8	Very low	45.6	Very low	197 Å²	197	149 Å²	149	86%	0.857	73%	0.727	S	S	*	*	S	Bend	trans	-127.4	115	141.2	-74.5	-176.1	173.2	-173.4	0	103.9
725	E	39.8	Very low	43.6	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	74%	0.742	S	S	*	*	S	Bend	cis	-132	-163.4	22.9	-65.6	168	134	0	0	112.2
726	A	35.6	Very low	41.8	Very low	103 Å²	103	153.3 Å²	153.3	85%	0.851	76%	0.756	S	S	*	*			trans	61.2	109.1	171.3	0	0	0	0	0	118.9
727	R	35.3	Very low	40.1	Very low	224 Å²	224	155.7 Å²	155.7	85%	0.845	78%	0.775	S	S	*	*			trans	-126.7	125.2	149.6	-86	177.2	164.8	156.8	-9	107.6
728	H	34.8	Very low	38.5	Very low	184 Å²	184	157.8 Å²	157.8	85%	0.852	79%	0.788	S	S	*	*				175.5	135.8	127.9	-98.7	-72.4	0	0	0	110.8
729	S	30.5	Very low	37.3	Very low	104 Å²	104	157.8 Å²	157.8	73%	0.727	80%	0.796	S	S	*	*			trans	50.3	121.8	164.2	-149.8	0	0	0	0	120.1
730	Y	33.7	Very low	36.2	Very low	224 Å²	224	163.3 Å²	163.3	88%	0.878	82%	0.817	S	S	*	*			trans	-133.2	119.8	156.6	-83.3	-78.9	0	0	0	109.5
731	N	30.6	Very low	35	Very low	156 Å²	156	167.2 Å²	167.2	83%	0.834	83%	0.832	S	S	*	*			trans	-86	143.3	158.3	-82.7	-22.8	0	0	0	108.6
732	C	29.3	Very low	34.1	Very low	131 Å²	131	164.4 Å²	164.4	89%	0.885	83%	0.828	S	S	*	*			trans	-94.1	121.4	172.5	-67.3	0	0	0	0	111
733	R	30.1	Very low	34.4	Very low	250 Å²	250	162 Å²	162	94%	0.943	83%	0.826	S	S	*	*			trans	-129.5	141.3	150.7	-104.1	-174.9	173.5	170.4	-1.5	108.4
734	V	31.5	Very low	33.9	Very low	149 Å²	149	165 Å²	165	90%	0.903	84%	0.839	S	S	*	*			trans	-78.9	142.8	-179.1	177.7	0	0	0	0	109.3
735	A	28.4	Very low	33.5	Very low	92 Å²	92	165.1 Å²	165.1	76%	0.76	84%	0.839	S	S	*	*			trans	-140.5	131.3	167.4	0	0	0	0	0	109.2
736	E	30.7	Very low	33.8	Very low	194 Å²	194	162.8 Å²	162.8	91%	0.907	84%	0.84	S	S	*	*			trans	-70.7	159.5	166.7	-62.2	174.8	111.5	0	0	110.1
737	S	32	Very low	33.7	Very low	121 Å²	121	162.9 Å²	162.9	85%	0.846	84%	0.835	S	S	*	*			trans	-132	142.4	175.2	64	0	0	0	0	112.5
738	T	31.8	Very low	33.7	Very low	129 Å²	129	163.2 Å²	163.2	79%	0.791	84%	0.836	S	S	*	*			trans	-92.8	156.1	-167.4	53.9	0	0	0	0	113.1
739	H	31.8	Very low	33.5	Very low	196 Å²	196	161.8 Å²	161.8	91%	0.907	83%	0.83	S	S	*	*			trans	-126.2	126	157.2	-94.2	-71.2	0	0	0	112
740	Q	32.9	Very low	33.6	Very low	164 Å²	164	163.2 Å²	163.2	77%	0.766	83%	0.828	S	S	*	*			trans	-120.5	148	159.2	-69.7	-176.9	-13.5	0	0	108.2
741	H	31.6	Very low	33.6	Very low	185 Å²	185	160 Å²	160	86%	0.856	82%	0.82	S	S	*	*				-174.8	147.9	128	-101.5	76.1	0	0	0	112.3
742	H	30.8	Very low	33.6	Very low	171 Å²	171	161.4 Å²	161.4	79%	0.792	82%	0.819	S	S	*	*			trans	-65.4	-174.1	-177.7	-70.3	-74.1	0	0	0	116.3
743	P	54.5	Low	33.8	Very low	102 Å²	102	158.5 Å²	158.5	66%	0.662	81%	0.811	S	S	*	*				-142.5	173.3	-51.5	40.4	-25.1	0	0	0	114.4
744	K	31	Very low	33.9	Very low	205 Å²	205	153.2 Å²	153.2	89%	0.891	80%	0.802	S	S	*	*				178.6	147.2	129.6	-99	157.1	-175.2	174.8	0	114.2
745	K	37.5	Very low	33.9	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	79%	0.793	S	S	*	*			trans	-93.7	156.8	167.6	-86.7	-179.8	177.4	177.2	0	109
746	P	44.6	Very low	34	Very low	135 Å²	135	153.8 Å²	153.8	88%	0.877	79%	0.789	S	S	*	*				-142.8	-152	68.2	41	-20.6	0	0	0	114.5
747	S	34.6	Very low	33.9	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	79%	0.786	S	S	*	*			trans	-128.5	155.4	-152.3	59.6	0	0	0	0	116.7
748	R	34	Very low	33.8	Very low	231 Å²	231	152.4 Å²	152.4	87%	0.872	78%	0.782	S	S	*	*			trans	89.3	151.7	143.4	-130.2	-178.6	-170.7	-173.2	3.3	119
749	Q	31	Very low	34.8	Very low	154 Å²	154	151.2 Å²	151.2	72%	0.72	78%	0.777	S	S	*	*			trans	90.5	100.6	154.3	-73.5	-169.5	-46.9	0	0	122.6
750	I	32.5	Very low	34.8	Very low	133 Å²	133	147.9 Å²	147.9	68%	0.682	77%	0.77	S	S	*	*				80.8	117.8	106.1	-80	177.4	0	0	0	121.7
751	H	33.7	Very low	34.8	Very low	156 Å²	156	145.3 Å²	145.3	72%	0.722	77%	0.766	S	S	*	*			trans	98.6	132	134.9	-92.4	26.4	0	0	0	125.3
752	K	30.9	Very low	34.8	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	77%	0.766	S	S	*	*			trans	73.5	122.7	137.5	-82.8	-168.4	171.7	-167.2	0	123
753	G	33.8	Very low	34.7	Very low	69 Å²	69	139.2 Å²	139.2	71%	0.711	76%	0.761	S	S	*	*			trans	94.7	153.2	131.8	0	0	0	0	0	116.9
754	D	31.5	Very low	33.6	Very low	140 Å²	140	140.2 Å²	140.2	75%	0.749	77%	0.765	S	S	*	*			cis	-169.9	165.7	-14.6	-132.8	-34	0	0	0	110.1
755	I	33.3	Very low	33.4	Very low	141 Å²	141	138 Å²	138	72%	0.723	76%	0.763	S	S	*	*			trans	64.5	137.9	152.3	-70.2	165.5	0	0	0	117.6
756	T	29.4	Very low	33.8	Very low	112 Å²	112	133.1 Å²	133.1	69%	0.687	75%	0.751	S	S	*	*			cis	-156.8	-166.2	-11.6	29.7	0	0	0	0	106.2
757	L	29.3	Very low	33	Very low	158 Å²	158	133.9 Å²	133.9	83%	0.827	75%	0.746	S	S	*	*			cis	-135.3	-153	16	-87	174.1	0	0	0	111.1
758	V	29.8	Very low	32.6	Very low	128 Å²	128	140 Å²	140	78%	0.776	75%	0.753	S	S	*	*			trans	-140.8	-167.4	-160.3	-143.1	0	0	0	0	111
759	P	52.7	Low	32.4	Very low	103 Å²	103	132.3 Å²	132.3	67%	0.669	74%	0.739	S	S	*	*				-120	-150.6	-111.2	42.9	-25.3	0	0	0	115.3
760	T	30.9	Very low	32.4	Very low	127 Å²	127	132.5 Å²	132.5	78%	0.779	74%	0.74	S	S	*	*			trans	92.8	155.4	164.1	77.2	0	0	0	0	117.7
761	V	34.3	Very low	32.5	Very low	110 Å²	110	133.1 Å²	133.1	67%	0.667	74%	0.739	S	S	*	*			cis	-166.8	155.2	-23.1	135.6	0	0	0	0	107.8
762	N	30.8	Very low	32.3	Very low	160 Å²	160	137.1 Å²	137.1	86%	0.856	75%	0.748	S	S	*	*			trans	65.3	156.7	178.8	-60.7	-24.8	0	0	0	113.6
763	G	29.6	Very low	32.3	Very low	67 Å²	67	132.3 Å²	132.3	69%	0.691	74%	0.738	S	S	*	*			cis	123.1	144	24	0	0	0	0	0	107.7
764	T	30.2	Very low	33.3	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	74%	0.739	S	S	*	*			cis	-164.4	147.8	10.3	43.5	0	0	0	0	111.5
765	L	27.9	Very low	33.5	Very low	159 Å²	159	133.2 Å²	133.2	83%	0.832	74%	0.742	S	S	*	*			trans	68.5	175.4	151.2	-63.8	167.7	0	0	0	116.6
766	P	44.5	Very low	33.4	Very low	97 Å²	97	131 Å²	131	63%	0.63	75%	0.745	S	S	*	*				-136.1	-153.3	-88.7	38.5	-16.1	0	0	0	113.5
767	I	27.4	Very low	33.5	Very low	151 Å²	151	131.8 Å²	131.8	77%	0.774	75%	0.749	S	S	*	*			trans	80	133.9	173.1	-53.3	151.7	0	0	0	112.2
768	R	27.9	Very low	34.7	Very low	233 Å²	233	129.7 Å²	129.7	88%	0.879	75%	0.745	S	S	*	*			cis	-142.5	165.2	12.9	-153	168.6	-176.2	140.8	-1.5	111.3
769	A	29	Very low	36.4	Very low	69 Å²	69	128.9 Å²	128.9	57%	0.57	74%	0.742	S	S	*	*			trans	-139.1	174.5	166	0	0	0	0	0	110.7
770	H	31.6	Very low	35.4	Very low	158 Å²	158	132 Å²	132	73%	0.731	75%	0.75	S	S	*	*			trans	71	158.4	164.7	-59.8	-66.6	0	0	0	117.4
771	H	34.5	Very low	35.5	Very low	146 Å²	146	131 Å²	131	68%	0.676	74%	0.74	S	S	*	*			cis	-165.4	162.2	-6.4	-116.1	-39.9	0	0	0	111.1
772	R	28.4	Very low	35.4	Very low	240 Å²	240	135.5 Å²	135.5	91%	0.906	75%	0.745	S	S	*	*			trans	-179.1	136.1	137.4	-98.3	165	-171.1	-151.2	0.9	108.5
773	S	30.9	Very low	35.5	Very low	87 Å²	87	131.3 Å²	131.3	61%	0.608	73%	0.733	S	S	*	*			cis	82.8	147.8	12.4	-38.6	0	0	0	0	115
774	P	55.1	Low	35.7	Very low	112 Å²	112	136.3 Å²	136.3	73%	0.727	74%	0.738	S	S	*	*			cis	-147.6	166	21.5	43.7	-24.6	0	0	0	120.8
775	S	35.3	Very low	35.8	Very low	116 Å²	116	138.4 Å²	138.4	81%	0.811	74%	0.742	S	S	*	*			trans	62.8	153.6	139.5	62.7	0	0	0	0	122.2
776	A	32	Very low	35.9	Very low	94 Å²	94	133.8 Å²	133.8	78%	0.777	73%	0.732	S	S	*	*			cis	-141.2	-176.2	21.6	0	0	0	0	0	116
777	T	32.4	Very low	35.5	Very low	129 Å²	129	136 Å²	136	79%	0.791	74%	0.743	S	S	*	*			trans	-137.1	-170.9	-166.8	64.2	0	0	0	0	110.6
778	P	53.8	Low	36.3	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	74%	0.743	S	S	*	*				-147.4	-161.9	51.3	48.7	-24.9	0	0	0	114.3
779	P	64.3	Low	36.5	Very low	110 Å²	110	131.5 Å²	131.5	71%	0.714	74%	0.739	S	S	*	*				-145.8	-163	-98.7	43.6	-20.8	0	0	0	118.3
780	M	33.7	Very low	36.6	Very low	168 Å²	168	135 Å²	135	83%	0.828	75%	0.748	S	S	*	*			trans	94.7	148.1	170.7	-64.4	-169.6	77.1	0	0	116.2
781	D	32.7	Very low	36.6	Very low	106 Å²	106	135.1 Å²	135.1	57%	0.567	75%	0.749	S	S	*	*			cis	-169.7	177.8	-26.3	-149.8	10.1	0	0	0	106.5
782	R	32.3	Very low	36.5	Very low	205 Å²	205	137.2 Å²	137.2	77%	0.774	76%	0.759	S	S	*	*			cis	-156.4	174.2	2.6	-158.2	165.4	-176.4	76.4	0.9	110.7
783	A	31.2	Very low	36.6	Very low	73 Å²	73	130.9 Å²	130.9	60%	0.603	75%	0.751	S	S	*	*			trans	14	119.8	159.6	0	0	0	0	0	120.7
784	Q	35.8	Very low	36.7	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	76%	0.764	S	S	*	*				74.2	146.6	60.9	-67.1	177.5	-13.1	0	0	115.4
785	M	32.1	Very low	35.6	Very low	169 Å²	169	140 Å²	140	83%	0.833	76%	0.764	S	S	*	*			cis	-172.5	165.7	-19.3	-99.8	-167.3	-55.8	0	0	107.5
786	G	29.3	Very low	35.3	Very low	62 Å²	62	139.3 Å²	139.3	64%	0.639	76%	0.759	S	S	*	*			cis	143.6	127.2	-10.2	0	0	0	0	0	115.1
787	V	35.4	Very low	35.3	Very low	142 Å²	142	142.1 Å²	142.1	86%	0.861	76%	0.761	S	S	*	*			trans	74.7	137.2	156.7	-178.9	0	0	0	0	115.9
788	P	45.6	Very low	35.1	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	76%	0.756	S	S	*	*				-152	166.1	63.3	42.3	-19.9	0	0	0	122.4
789	Q	32.3	Very low	33.9	Very low	173 Å²	173	141.5 Å²	141.5	81%	0.808	75%	0.754	S	S	*	*			trans	-3.9	156.7	152.7	-64.7	174	-15.8	0	0	120.3
790	N	29.5	Very low	32.4	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	76%	0.758	S	S	*	*			cis	-166.1	177.7	47.9	-151.9	-9.3	0	0	0	115.3
791	H	32.5	Very low	32.1	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.745	75%	0.751	S	S	*	*			trans	-74.4	151	177.7	-66.2	-78.6	0	0	0	115.1
792	H	32	Very low	31.9	Very low	191 Å²	191	140.8 Å²	140.8	88%	0.884	76%	0.755	S	S	*	*				-176	164.9	112	-100	-62	0	0	0	112.7
793	S	31.4	Very low	31.7	Very low	107 Å²	107	138 Å²	138	75%	0.748	75%	0.754	S	S	*	*			trans	-121.3	137.1	-176.5	50.5	0	0	0	0	112.4
794	R	32.5	Very low	31.6	Very low	234 Å²	234	139.6 Å²	139.6	88%	0.883	76%	0.76	S	S	*	*			trans	-162	162.3	153	-123.7	174.4	178.6	139.8	2.6	115.6
795	Q	30.8	Very low	31.4	Very low	156 Å²	156	135.6 Å²	135.6	73%	0.729	75%	0.751	S	S	*	*			trans	-73.1	160.9	-162	-61.1	148.3	-72.1	0	0	116.5
796	S	30.4	Very low	31.5	Very low	101 Å²	101	134 Å²	134	71%	0.706	75%	0.746	S	S	*	*			trans	76.7	117.3	135.3	63.2	0	0	0	0	123
797	L	30.9	Very low	31.7	Very low	153 Å²	153	139.1 Å²	139.1	80%	0.801	75%	0.753	S	S	*	*			trans	78.7	140	131.1	-68	171.5	0	0	0	122.1
798	N	29.5	Very low	31.5	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	75%	0.748	S	S	*	*			trans	63.6	83.9	148.8	-64	-1.6	0	0	0	120.2
799	S	28.9	Very low	31.7	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	74%	0.742	S	S	*	*				62.7	154.7	106.8	71.5	0	0	0	0	122.3
800	L	31.1	Very low	31.9	Very low	153 Å²	153	138.5 Å²	138.5	80%	0.801	74%	0.742	S	S	*	*			trans	82.9	127.6	158.3	-67.3	166.8	0	0	0	120.2
801	V	29.2	Very low	32.2	Very low	110 Å²	110	135.8 Å²	135.8	67%	0.667	74%	0.735	S	S	*	*				92.7	89.6	128.2	168.9	0	0	0	0	120.4
802	T	27.8	Very low	32.1	Very low	106 Å²	106	137.1 Å²	137.1	65%	0.65	74%	0.739	S	S	*	*				73.2	127.9	122.8	67.3	0	0	0	0	124.7
803	I	28.1	Very low	32.2	Very low	146 Å²	146	131.3 Å²	131.3	75%	0.749	72%	0.724	S	S	*	*				80.5	131.8	123.6	-68.6	168.7	0	0	0	120.7
804	S	28.5	Very low	32.4	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	72%	0.722	S	S	*	*			trans	73.2	146	155.5	69.3	0	0	0	0	119.6
805	S	32.6	Very low	32.5	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	71%	0.711	S	S	*	*			cis	-172.6	154.8	-23.2	53.4	0	0	0	0	110.7
806	N	32.9	Very low	32.4	Very low	136 Å²	136	128 Å²	128	73%	0.727	71%	0.712	S	S	*	*			trans	70.2	154	161.1	-52.4	-15.4	0	0	0	115.9
807	H	34.4	Very low	32.5	Very low	168 Å²	168	126.5 Å²	126.5	78%	0.778	71%	0.705	S	S	*	*			cis	-133.3	144.4	5.6	-116.8	-64.7	0	0	0	112
808	I	31.3	Very low	32.5	Very low	146 Å²	146	127.7 Å²	127.7	75%	0.749	71%	0.707	S	S	*	*			trans	-92.5	151.3	149.7	-30.2	175.2	0	0	0	106.5
809	P	48.7	Very low	32.6	Very low	100 Å²	100	125.7 Å²	125.7	65%	0.649	71%	0.708	S	S	*	*				-141.9	172.9	94.4	40.4	-27.3	0	0	0	112.1
810	E	37.6	Very low	32.8	Very low	173 Å²	173	127.4 Å²	127.4	81%	0.808	71%	0.714	S	S	*	*			cis	-169.4	165.6	-18.8	-105.5	170.7	-103.8	0	0	105.8
811	S	35.8	Very low	33.9	Very low	86 Å²	86	125.5 Å²	125.5	60%	0.601	71%	0.712	S	S	*	*			cis	-141.6	-141.6	-0.9	42.2	0	0	0	0	106.3
812	F	30.1	Very low	35.2	Very low	189 Å²	189	125.5 Å²	125.5	83%	0.829	71%	0.714	S	S	*	*			cis	-164.9	170.4	-5	-124.8	-18.6	0	0	0	105.7
813	A	34.6	Very low	35.4	Very low	68 Å²	68	126.7 Å²	126.7	56%	0.562	72%	0.72	S	S	*	*			cis	-159.2	152.8	-4.6	0	0	0	0	0	109.9
814	L	35.6	Very low	35.5	Very low	136 Å²	136	128 Å²	128	71%	0.712	72%	0.723	S	S	*	*			trans	62.5	148.3	152.1	-96.2	61.4	0	0	0	119.8
815	E	33	Very low	35.6	Very low	139 Å²	139	125.8 Å²	125.8	65%	0.65	72%	0.718	S	S	*	*			cis	-147.5	125.8	3.7	-161.7	143.2	-137.8	0	0	114.3
816	M	30.4	Very low	35.5	Very low	153 Å²	153	129.1 Å²	129.1	75%	0.754	72%	0.724	S	S	*	*			trans	26.9	157.7	137.3	-62.9	-167.3	-73.9	0	0	124.5
817	A	32.1	Very low	35.3	Very low	69 Å²	69	132.9 Å²	132.9	57%	0.57	73%	0.729	S	S	*	*			cis	-177.3	179.3	-20.9	0	0	0	0	0	112.6
818	H	31.1	Very low	35.3	Very low	179 Å²	179	132.6 Å²	132.6	83%	0.829	73%	0.728	S	S	*	*			trans	78.6	129.6	166	-52.4	154.5	0	0	0	117.2
819	A	31.2	Very low	36.1	Very low	88 Å²	88	131.2 Å²	131.2	73%	0.727	73%	0.729	S	S	*	*			cis	79.4	137.1	30.6	0	0	0	0	0	113.5
820	T	33.6	Very low	35.3	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	74%	0.74	S	S	*	*			cis	-153	177.4	42.5	37.1	0	0	0	0	114.7
821	P	53.7	Low	36.4	Very low	114 Å²	114	135 Å²	135	74%	0.74	74%	0.738	S	S	*	*			trans	-122.2	-138.6	-165.2	43.7	-27.6	0	0	0	113.4
822	P	55.3	Low	36.2	Very low	110 Å²	110	136 Å²	136	71%	0.714	74%	0.744	S	S	*	*			cis	-124.5	-154	-47.7	31.4	-9.5	0	0	0	113.3
823	V	33.4	Very low	36.3	Very low	130 Å²	130	135.6 Å²	135.6	79%	0.788	74%	0.743	S	S	*	*			trans	85	130.9	165.6	177.3	0	0	0	0	115.4
824	E	30.6	Very low	36.2	Very low	173 Å²	173	143.4 Å²	143.4	81%	0.808	76%	0.758	S	S	*	*			cis	-144.1	-159.9	-8	-132.8	-156.5	-97.8	0	0	109.9
825	G	29.4	Very low	35.9	Very low	61 Å²	61	140.5 Å²	140.5	63%	0.629	76%	0.761	S	S	*	*			cis	-177	-152.3	10.8	0	0	0	0	0	115.2
826	Q	30.4	Very low	36.1	Very low	158 Å²	158	141.9 Å²	141.9	74%	0.738	77%	0.773	S	S	*	*			trans	-136	149.8	-165.9	-60.7	-179.6	-16.4	0	0	115.8
827	Y	30.1	Very low	36.2	Very low	214 Å²	214	144.9 Å²	144.9	84%	0.839	78%	0.782	S	S	*	*				175.7	159.3	109.2	-112.8	-88.8	0	0	0	114.8
828	Q	33.8	Very low	36.3	Very low	162 Å²	162	152.8 Å²	152.8	76%	0.757	80%	0.798	S	S	*	*			trans	-155.6	144.6	177	-170.3	-166.1	76.5	0	0	110.8
829	P	48.7	Very low	36.3	Very low	117 Å²	117	149.9 Å²	149.9	76%	0.76	80%	0.798	S	S	*	*			trans	-150.8	113.6	151.4	34.4	-14.3	0	0	0	118.3
830	R	30.3	Very low	36.3	Very low	236 Å²	236	157.1 Å²	157.1	89%	0.891	81%	0.807	S	S	*	*				45.6	163.9	122.2	-76.3	-162	173.4	-149.8	-1.9	125.1
831	P	62.1	Low	36.1	Very low	117 Å²	117	154.8 Å²	154.8	76%	0.76	80%	0.796	S	S	*	*			trans	-131	-175.4	-148.5	46.5	-33	0	0	0	117.5
832	S	31.2	Very low	35	Very low	106 Å²	106	158.4 Å²	158.4	74%	0.741	80%	0.796	S	S	*	*			trans	-165.8	135.5	161.8	60.2	0	0	0	0	119.8
833	F	31.5	Very low	33.8	Very low	181 Å²	181	162.1 Å²	162.1	79%	0.794	80%	0.796	S	S	*	*			trans	65	123.5	134.5	-86.2	-105.1	0	0	0	127.9
834	R	33.1	Very low	33.8	Very low	232 Å²	232	166.1 Å²	166.1	88%	0.875	80%	0.798	S	S	*	*			trans	35.2	138.3	134.9	-74.4	-172.7	171.8	175.8	-3.5	123.9
835	G	29.2	Very low	34	Very low	76 Å²	76	161.6 Å²	161.6	78%	0.784	79%	0.79	S	S	*	*			trans	-177.5	128.6	145.6	0	0	0	0	0	116.3
836	N	37	Very low	34.2	Very low	168 Å²	168	165.4 Å²	165.4	90%	0.898	80%	0.796	S	S	*	*			trans	-120.3	139	171.1	-88.4	9.2	0	0	0	110.7
837	K	32.8	Very low	34.5	Very low	215 Å²	215	165 Å²	165	94%	0.935	79%	0.794	S	S	*	*			trans	-173.1	164	145.3	-108.8	162.6	-173.7	-179.6	0	114
838	Y	34.8	Very low	34.8	Very low	235 Å²	235	162 Å²	162	92%	0.922	79%	0.793	S	S	*	*			trans	-86.5	152.2	-173.9	-77.2	-103	0	0	0	114.6
839	S	29.6	Very low	34.7	Very low	119 Å²	119	160.8 Å²	160.8	83%	0.832	79%	0.788	S	S	*	*			trans	-154.8	124	142.3	55.5	0	0	0	0	113.6
840	R	31.4	Very low	34	Very low	240 Å²	240	159.8 Å²	159.8	91%	0.906	78%	0.777	S	S	*	*			trans	-78.4	167.2	152.8	-99.2	-175.4	176	-178.2	-1.7	108.1
841	S	30.7	Very low	34.1	Very low	86 Å²	86	155.5 Å²	155.5	60%	0.601	76%	0.764	S	S	*	*			cis	178.1	156.1	-1.6	45	0	0	0	0	109
842	Y	30.2	Very low	32.6	Very low	190 Å²	190	158 Å²	158	75%	0.745	76%	0.763	S	S	*	*			trans	174.9	151.5	149.8	-86.9	-33.3	0	0	0	109.5
843	R	30.3	Very low	32.5	Very low	189 Å²	189	158.2 Å²	158.2	71%	0.713	77%	0.765	S	S	*	*			cis	-159.3	139.4	-15.8	-136.9	163.9	-168.8	164.4	3.6	109.3
844	Y	33.1	Very low	32.6	Very low	213 Å²	213	156 Å²	156	84%	0.835	76%	0.761	S	S	*	*			trans	6.2	157.8	134.7	-67.8	-88.3	0	0	0	120.6
845	A	34.9	Very low	32.4	Very low	78 Å²	78	154 Å²	154	65%	0.645	76%	0.759	S	S	*	*			cis	-160.4	161	10.4	0	0	0	0	0	109.3
846	L	33.9	Very low	32.4	Very low	141 Å²	141	156 Å²	156	74%	0.738	75%	0.752	S	S	*	*				57.2	137.5	65.8	-68.9	173.1	0	0	0	113.4
847	Q	36.3	Very low	32.1	Very low	151 Å²	151	153.4 Å²	153.4	71%	0.706	75%	0.746	S	S	*	*			cis	-171.5	166.4	-2.1	-159.2	171.2	-5.9	0	0	109.8
848	D	35.3	Very low	32	Very low	151 Å²	151	147 Å²	147	81%	0.807	74%	0.741	S	S	*	*			trans	-166.7	142.3	149.7	-92.5	-31.9	0	0	0	107.8
849	M	32.7	Very low	31.8	Very low	136 Å²	136	148.3 Å²	148.3	67%	0.67	75%	0.745	S	S	*	*			cis	91.8	131.7	38.2	-67.6	-85.1	82	0	0	113
850	D	32.8	Very low	31.9	Very low	96 Å²	96	146.2 Å²	146.2	51%	0.513	74%	0.742	S	S	.	*			cis	-169.7	143.4	-4.9	-167.3	23.5	0	0	0	112.7
851	K	33.2	Very low	31.9	Very low	145 Å²	145	142.5 Å²	142.5	63%	0.63	74%	0.74	S	S	*	*			trans	53.5	168.4	157.8	-77	160.4	-161.1	112.9	0	120.4
852	F	31.6	Very low	32	Very low	169 Å²	169	143 Å²	143	74%	0.741	74%	0.743	S	S	*	*			cis	-144.5	170.3	-5.1	-109.9	-49.2	0	0	0	106.6	L854	F852-L854 HydrophobicContact CD1-CD1 4.05Å; F852-L854 HydrophobicContact CE1-CD1 3.91Å
853	S	27.4	Very low	32.2	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	75%	0.748	S	S	*	*			cis	-157.3	175.1	37.6	-162.3	0	0	0	0	113
854	L	34.7	Very low	32.4	Very low	135 Å²	135	138.7 Å²	138.7	71%	0.707	76%	0.757	S	S	*	*			trans	-92.5	152	-170.4	-72.4	68.4	0	0	0	114.4	F852	F852-L854 HydrophobicContact CD1-CD1 4.05Å; F852-L854 HydrophobicContact CE1-CD1 3.91Å
855	K	29.1	Very low	32.3	Very low	191 Å²	191	131.6 Å²	131.6	83%	0.83	75%	0.748	S	S	*	*				161.9	154.5	119.7	-92.4	-164.8	168.4	-171.8	0	111.6
856	D	29.3	Very low	32	Very low	118 Å²	118	135.4 Å²	135.4	63%	0.631	76%	0.758	S	S	*	*			cis	-168.4	156	-21.7	-156.4	-38.5	0	0	0	107.1
857	S	31.2	Very low	31.8	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	75%	0.751	S	S	*	*			trans	51.3	126	156.8	-64.7	0	0	0	0	121.2
858	G	29.3	Very low	31.4	Very low	81 Å²	81	131.1 Å²	131.1	84%	0.835	75%	0.747	S	S	*	*			trans	179	110.9	164.8	0	0	0	0	0	115.7
859	R	31.8	Very low	31	Very low	263 Å²	263	127.8 Å²	127.8	99%	0.992	74%	0.735	S	S	*	*			trans	-80.7	161.5	165.6	-62.7	166.6	167.7	173.8	-8.1	110.2
860	G	31.1	Very low	30.8	Very low	75 Å²	75	127.9 Å²	127.9	77%	0.773	73%	0.734	S	S	*	*			trans	170.1	87.4	160.3	0	0	0	0	0	115.4
861	D	31.3	Very low	30.5	Very low	161 Å²	161	131.4 Å²	131.4	86%	0.861	75%	0.749	S	S	*	*			trans	-88.9	177.4	150.7	-63.4	-64.8	0	0	0	109.3
862	S	32.9	Very low	30.3	Very low	96 Å²	96	128.1 Å²	128.1	67%	0.671	76%	0.757	S	S	*	*			trans	70.6	124.8	179.4	-69.7	0	0	0	0	115
863	E	33.6	Very low	30.3	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	77%	0.766	S	S	*	*				71	94.1	64.2	-65.3	170.2	129.6	0	0	113.5
864	A	35	Very low	30.2	Very low	109 Å²	109	135.8 Å²	135.8	90%	0.901	77%	0.772	S	S	*	*			trans	-169.3	142.1	144.7	0	0	0	0	0	106.8
865	G	32	Very low	30.1	Very low	63 Å²	63	133.7 Å²	133.7	65%	0.649	77%	0.769	S	S	*	*			cis	158.3	144.7	-2.8	0	0	0	0	0	109.5
866	D	28.8	Very low	30.7	Very low	159 Å²	159	130.4 Å²	130.4	85%	0.85	77%	0.766	S	S	*	*			trans	19.2	141.9	143	-40.2	-26.5	0	0	0	118.6
867	S	28.4	Very low	30.7	Very low	86 Å²	86	130.1 Å²	130.1	60%	0.601	77%	0.769	S	S	*	*			cis	177	176.5	-6.9	47.1	0	0	0	0	105.8
868	D	29.1	Very low	30.7	Very low	115 Å²	115	130.2 Å²	130.2	62%	0.615	76%	0.761	S	S	*	*			trans	63.6	144.9	150.5	-55.2	-21.4	0	0	0	120.1	M1119	D868-M1119 HydrophobicContact CB-CE 4.41Å; D868-M1119 HydrophobicContact CB-SD 4.32Å; D868-M1119 VanDerWaalsContact OD2-CE 3.31Å; D868-M1119 WeakPolarHBondContact OD2-CE 3.37Å
869	C	27.1	Very low	30.7	Very low	81 Å²	81	135.3 Å²	135.3	55%	0.547	76%	0.755	S	S	.	*			cis	-160.7	170.1	-12	-126	0	0	0	0	112.6	M1119	C869-M1119 HydrophobicContact CB-SD 4.3Å
870	E	27.5	Very low	30.6	Very low	139 Å²	139	129.5 Å²	129.5	65%	0.65	74%	0.743	S	S	*	*			trans	62.6	135.8	146.6	-73.6	-161.8	125.3	0	0	124.7
871	M	26.5	Very low	30.4	Very low	169 Å²	169	132.9 Å²	132.9	83%	0.833	74%	0.742	S	S	*	*			trans	58.6	139.9	137.8	-71	-159.6	-79.5	0	0	122.8
872	G	28.4	Very low	30.3	Very low	77 Å²	77	133 Å²	133	79%	0.794	74%	0.742	S	S	*	*			trans	148.1	100.5	143.1	0	0	0	0	0	115.9
873	R	32	Very low	30	Very low	247 Å²	247	131.5 Å²	131.5	93%	0.932	74%	0.742	S	S	*	*			trans	-79.9	130.2	153.2	-76.6	177.8	171.5	170.1	-3	108.4
874	E	26.3	Very low	29.8	Very low	193 Å²	193	132.7 Å²	132.7	90%	0.902	75%	0.747	S	S	*	*				-170.3	162.6	116.9	-107.6	178.6	-163.3	0	0	112
875	S	32.2	Very low	29.5	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	74%	0.737	S	S	*	*			trans	-95	170.5	179.5	64	0	0	0	0	112.2
876	P	40.7	Very low	29.3	Very low	121 Å²	121	137.9 Å²	137.9	79%	0.786	75%	0.751	S	S	*	*				-142.8	123.1	113.7	33.7	-18.8	0	0	0	115.7
877	V	29.9	Very low	29.4	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.685	74%	0.744	S	S	*	*				9.7	127	118.4	-179.3	0	0	0	0	114.9
878	D	29.9	Very low	29.3	Very low	113 Å²	113	138.1 Å²	138.1	60%	0.604	75%	0.753	S	S	*	*				-176.5	171.5	71.5	-136.7	-3.6	0	0	0	109.5
879	R	29.9	Very low	29.2	Very low	188 Å²	188	140.1 Å²	140.1	71%	0.709	76%	0.763	S	S	*	*			cis	-162	177.1	-0.6	-158.4	163.7	-165.7	80.8	4.6	109.9
880	L	29.6	Very low	29.1	Very low	142 Å²	142	144 Å²	144	74%	0.743	78%	0.775	S	S	*	*			trans	80.3	128.5	159.9	-59.1	-179.5	0	0	0	116.8
881	L	27.2	Very low	28.9	Very low	145 Å²	145	144.5 Å²	144.5	76%	0.759	78%	0.777	S	S	*	*			cis	-141	159.2	6.6	-105.5	161.4	0	0	0	113.8
882	L	29.2	Very low	29	Very low	163 Å²	163	144.1 Å²	144.1	85%	0.853	78%	0.778	S	S	*	*			trans	-44.3	159.6	179	-57	160.2	0	0	0	116.8
883	G	26.8	Very low	28.9	Very low	65 Å²	65	146.7 Å²	146.7	67%	0.67	77%	0.769	S	S	*	*			cis	152	165	-5.1	0	0	0	0	0	114.7
884	E	29.9	Very low	28.6	Very low	206 Å²	206	143.6 Å²	143.6	96%	0.963	77%	0.767	S	S	*	*			trans	64.4	156.8	170.4	-58.4	-172.4	165.6	0	0	118.1
885	G	28.1	Very low	28.6	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	75%	0.753	S	S	*	*			trans	-157.8	172.9	-175.3	0	0	0	0	0	112.1
886	F	27.4	Very low	28.5	Very low	216 Å²	216	145.2 Å²	145.2	95%	0.947	76%	0.764	S	S	*	*			trans	-148.9	156.6	-177.1	-108.8	-89.8	0	0	0	111.9
887	S	30.8	Very low	27.8	Very low	101 Å²	101	149.9 Å²	149.9	71%	0.706	77%	0.766	S	S	*	*			trans	-109.3	169.6	165.3	-64.1	0	0	0	0	110.7
888	D	26.9	Very low	27.5	Very low	149 Å²	149	151.1 Å²	151.1	80%	0.797	77%	0.768	S	S	*	*			trans	82.1	142.2	170	-63.3	-16	0	0	0	119.8
889	L	26.3	Very low	27.2	Very low	156 Å²	156	154 Å²	154	82%	0.817	78%	0.777	S	S	*	*			trans	58.9	106.5	156.6	-70.8	159.3	0	0	0	119.2
890	M	25.9	Very low	27.9	Very low	162 Å²	162	149.9 Å²	149.9	80%	0.798	78%	0.775	S	S	*	*				-157.2	147.4	100.1	-105.6	-60.2	-76.4	0	0	112.8	L892	M890-L892 HydrophobicContact CE-CD1 4.37Å
891	H	23.9	Very low	27.8	Very low	151 Å²	151	147 Å²	147	70%	0.699	77%	0.772	S	S	*	*			trans	-109.8	132	-180	-159.6	-68.5	0	0	0	108.6
892	L	27.7	Very low	27.8	Very low	161 Å²	161	146.5 Å²	146.5	84%	0.843	78%	0.775	S	S	*	*			trans	-156.6	131.7	162.8	-127	147.2	0	0	0	111.5	M890	M890-L892 HydrophobicContact CE-CD1 4.37Å
893	E	26	Very low	27.8	Very low	130 Å²	130	149 Å²	149	61%	0.607	77%	0.773	S	S	*	*			trans	-85.6	152.7	-174.7	-64.1	166.1	91.7	0	0	112.4	H895	E893-H895 IonicContact OE1-CE1 3.16Å
894	M	25.1	Very low	27.9	Very low	183 Å²	183	152.4 Å²	152.4	90%	0.901	78%	0.775	S	S	*	*			trans	-144.1	143.7	134.2	-110.7	-62.2	160	0	0	110
895	H	27.9	Very low	27.8	Very low	129 Å²	129	148.1 Å²	148.1	60%	0.597	77%	0.767	S	S	*	*			trans	-84.4	145.9	-168.9	-57.2	-58.7	0	0	0	113.1	E893	E893-H895 IonicContact OE1-CE1 3.16Å
896	H	28.6	Very low	28	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.875	76%	0.764	S	S	*	*				-164.3	-178.4	98.9	-101.2	-58.1	0	0	0	113.2
897	R	27	Very low	28.2	Very low	220 Å²	220	146 Å²	146	83%	0.83	75%	0.753	S	S	*	*			trans	-124.1	146.5	-158.7	-90.1	178.7	168.6	172.5	-3.4	112.7
898	L	23	Very low	28.3	Very low	139 Å²	139	148 Å²	148	73%	0.728	75%	0.752	S	S	*	*			trans	59.8	118.3	141.4	-65.7	166.8	0	0	0	119.9
899	H	24.2	Very low	28.3	Very low	172 Å²	172	147.3 Å²	147.3	80%	0.796	76%	0.757	S	S	*	*				46.9	162.6	115.6	-85.2	-30.2	0	0	0	122.3
900	P	44.4	Very low	28.5	Very low	103 Å²	103	149.5 Å²	149.5	67%	0.669	76%	0.755	S	S	*	*			cis	-144.6	174.5	-25.1	39.8	-22	0	0	0	116.4
901	A	28	Very low	28.8	Very low	81 Å²	81	148.1 Å²	148.1	67%	0.669	75%	0.749	S	S	*	*			trans	72.9	162.6	138.8	0	0	0	0	0	123.5
902	T	27.4	Very low	29	Very low	135 Å²	135	149.1 Å²	149.1	83%	0.828	76%	0.758	S	S	*	*			trans	71.7	154.1	161.9	57.3	0	0	0	0	120.1
903	R	28.2	Very low	29.1	Very low	214 Å²	214	144.6 Å²	144.6	81%	0.808	75%	0.751	S	S	*	*			cis	-172.4	146.1	-37.1	-152.1	179.1	-177.7	172.2	-0.8	109.1
904	L	29.5	Very low	29.2	Very low	137 Å²	137	147.6 Å²	147.6	72%	0.717	76%	0.764	S	S	*	*			trans	30.4	129	152.9	-72.3	166.1	0	0	0	122.5
905	C	26.6	Very low	29.4	Very low	117 Å²	117	143.3 Å²	143.3	79%	0.791	75%	0.752	S	S	*	*				-159.1	127.4	127.4	-83.1	0	0	0	0	105.7
906	T	33.1	Very low	29.6	Very low	100 Å²	100	143.5 Å²	143.5	61%	0.613	76%	0.758	S	S	*	*				75.4	146.9	56.3	74.8	0	0	0	0	112.5
907	D	32.8	Very low	29.8	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	75%	0.754	S	S	*	*			cis	-145.8	159.9	27.3	-87.2	-73	0	0	0	117.7
908	E	31.3	Very low	29.8	Very low	144 Å²	144	137.2 Å²	137.2	67%	0.673	75%	0.749	S	S	*	*			trans	11.2	139	156.6	-56.6	-160	122.7	0	0	126.2	R910	E908-R910 IonicContact OE1-NH1 2.63Å
909	C	27.6	Very low	30	Very low	135 Å²	135	143 Å²	143	91%	0.912	76%	0.761	S	S	*	*				-154.6	154	114.6	-106.2	0	0	0	0	113.6
910	R	30.2	Very low	30.1	Very low	202 Å²	202	143 Å²	143	76%	0.762	76%	0.764	S	S	*	*			trans	-106.5	176	-178.6	-64.5	162.7	123.5	142.3	-10.7	110.2	E908	E908-R910 IonicContact OE1-NH1 2.63Å
911	I	32.1	Very low	30.6	Very low	132 Å²	132	142.7 Å²	142.7	68%	0.677	76%	0.761	S	S	*	*			cis	-165	155.7	18	-144.4	160.1	0	0	0	111.5
912	L	28.9	Very low	31.4	Very low	172 Å²	172	144 Å²	144	90%	0.901	76%	0.763	S	S	*	*			trans	60.5	164.7	165.7	-62.4	172.4	0	0	0	117.9
913	G	29.1	Very low	31.4	Very low	66 Å²	66	145.1 Å²	145.1	68%	0.68	76%	0.762	S	S	*	*			cis	-175.9	174.2	-1.5	0	0	0	0	0	111.8
914	H	29.4	Very low	31.4	Very low	193 Å²	193	140.5 Å²	140.5	89%	0.894	76%	0.763	S	S	*	*			trans	-89.8	143.2	-170.2	-87.3	-98.3	0	0	0	116.8
915	S	28.8	Very low	31.5	Very low	93 Å²	93	139.3 Å²	139.3	65%	0.65	77%	0.766	S	S	*	*			trans	71.4	151.7	140.2	92.8	0	0	0	0	125.2
916	D	32.1	Very low	32.4	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	77%	0.766	S	S	*	*			trans	70.6	102.1	149.6	-52.4	-42.3	0	0	0	124.6
917	Q	32.3	Very low	32.3	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.804	77%	0.773	S	S	*	*			trans	54.6	119.2	133.2	-58.9	-161.5	22.5	0	0	123.2
918	C	26	Very low	32.1	Very low	106 Å²	106	137.2 Å²	137.2	72%	0.716	77%	0.771	S	S	*	*			trans	62.9	102.5	130.8	-62.1	0	0	0	0	121.2
919	W	28.2	Very low	32	Very low	261 Å²	261	135.8 Å²	135.8	99%	0.989	78%	0.776	S	S	*	*				-160.9	172.9	117.2	-117	43.6	0	0	0	112.7
920	M	26.7	Very low	32.2	Very low	171 Å²	171	133.1 Å²	133.1	84%	0.842	76%	0.764	S	S	*	*			trans	-121.4	175.1	-169.7	-107.7	-169.9	66.2	0	0	112.8
921	P	53.6	Low	32.4	Very low	96 Å²	96	130 Å²	130	62%	0.623	76%	0.763	S	S	*	*			trans	-96.2	-173.5	-142.4	41.9	-41.7	0	0	0	114.9
922	P	45.8	Very low	32.3	Very low	110 Å²	110	132.1 Å²	132.1	71%	0.714	76%	0.763	S	S	*	*				-148.7	142.2	97.3	37.6	-20.8	0	0	0	118.1
923	I	27.7	Very low	32.4	Very low	157 Å²	157	133.2 Å²	133.2	81%	0.805	76%	0.755	S	S	*	*			trans	46.2	114.1	130.5	-51.5	168.5	0	0	0	119.3
924	S	27.7	Very low	32.4	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	76%	0.756	S	S	*	*				-171.1	127.9	112.4	30.1	0	0	0	0	113.3
925	S	31.2	Very low	32.5	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	75%	0.746	S	S	*	*			trans	-88.7	164.2	162.8	-45.2	0	0	0	0	109.4
926	P	46.2	Very low	32.6	Very low	120 Å²	120	136.7 Å²	136.7	78%	0.779	75%	0.754	S	S	*	*				-149.6	158.3	84	39.3	-22.9	0	0	0	116.4
927	A	30.3	Very low	32.3	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	76%	0.762	S	S	*	*			trans	63.4	151	146.9	0	0	0	0	0	119.7
928	S	29.4	Very low	32.3	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	76%	0.762	S	S	*	*			cis	-173.7	148.3	-21.9	50.4	0	0	0	0	108.9
929	S	28.8	Very low	33.1	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	76%	0.764	S	S	*	*			trans	55.2	144.4	152.2	58.7	0	0	0	0	120.3
930	A	31.6	Very low	33.2	Very low	79 Å²	79	131.8 Å²	131.8	65%	0.653	75%	0.753	S	S	*	*			cis	-169.7	168.3	-15	0	0	0	0	0	108.9
931	D	35.1	Very low	33.3	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	75%	0.753	S	S	*	*			trans	59.3	119.4	140.1	-67.2	-18.9	0	0	0	123.3
932	Y	30.3	Very low	32	Very low	175 Å²	175	135.6 Å²	135.6	69%	0.686	76%	0.76	S	S	*	*				101.6	119.3	120.9	-92.2	-127.1	0	0	0	122.6
933	R	29.5	Very low	31.1	Very low	196 Å²	196	135 Å²	135	74%	0.74	76%	0.759	S	S	*	*			trans	67.1	110.4	132.5	-85.3	-167.9	174.4	147.6	0.9	121.9
934	N	29.8	Very low	31.1	Very low	131 Å²	131	132.4 Å²	132.4	70%	0.701	76%	0.755	S	S	*	*				68.4	140.7	113.6	-81.6	63.2	0	0	0	123
935	N	31.7	Very low	31.1	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	76%	0.759	S	S	*	*			trans	77.6	94.2	145.4	-66.2	16.7	0	0	0	119.5
936	M	31.5	Very low	32.3	Very low	167 Å²	167	136.1 Å²	136.1	82%	0.823	76%	0.756	S	S	*	*				55	105.4	104.1	-175	-167.1	-67.2	0	0	117.7
937	Y	25.9	Very low	32.4	Very low	220 Å²	220	135 Å²	135	86%	0.863	75%	0.749	S	S	*	*			trans	-154.7	144.5	141.2	-134.8	-97.3	0	0	0	112.6
938	I	30.9	Very low	32.4	Very low	157 Å²	157	138.5 Å²	138.5	81%	0.805	75%	0.749	S	S	*	*			trans	-145.1	134.4	176.7	-64.5	176.6	0	0	0	103
939	P	43.7	Very low	32.6	Very low	119 Å²	119	139.6 Å²	139.6	77%	0.773	75%	0.747	S	S	*	*				-144.4	-167	53.7	39.4	-18.1	0	0	0	115.2
940	G	29	Very low	32.8	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	74%	0.738	S	S	*	*			trans	162.6	50.2	166.4	0	0	0	0	0	120.3
941	E	29.4	Very low	32.9	Very low	183 Å²	183	142 Å²	142	86%	0.855	74%	0.74	S	S	*	*			trans	35.3	141.5	145.3	-77	172.2	143.9	0	0	126.2
942	E	25.9	Very low	32.9	Very low	165 Å²	165	142.2 Å²	142.2	77%	0.771	74%	0.741	S	S	*	*			trans	74.7	94.2	138.1	-71.8	-160.6	136.2	0	0	125.3
943	S	27.4	Very low	33	Very low	98 Å²	98	141.8 Å²	141.8	69%	0.685	75%	0.745	S	S	*	*				92.9	167.3	103.6	85.6	0	0	0	0	122.7
944	S	27.5	Very low	33	Very low	102 Å²	102	137 Å²	137	71%	0.713	74%	0.742	S	S	*	*			trans	85.3	74.1	156.3	71.2	0	0	0	0	121.8
945	Q	28.7	Very low	32.9	Very low	194 Å²	194	135.6 Å²	135.6	91%	0.907	74%	0.743	S	S	*	*				69.3	165.2	122.3	-77.2	-167.2	-27.6	0	0	122.1
946	P	55.9	Low	32.9	Very low	114 Å²	114	135.5 Å²	135.5	74%	0.74	75%	0.746	S	S	*	*			trans	-106.8	-145.8	-166.7	41.3	-24.1	0	0	0	109.9
947	P	49.1	Very low	32.9	Very low	95 Å²	95	134 Å²	134	62%	0.617	74%	0.742	S	S	*	*			cis	-147.9	-166.9	20.9	44.1	-20.6	0	0	0	117.7
948	Q	29.4	Very low	33.1	Very low	168 Å²	168	128.2 Å²	128.2	79%	0.785	73%	0.733	S	S	*	*			trans	70.8	157	156	-64	-179.9	-60.1	0	0	118.6
949	L	34.2	Very low	33.3	Very low	119 Å²	119	128 Å²	128	62%	0.623	73%	0.729	S	S	*	*			cis	-164.4	164.2	-21.6	-104.2	170.8	0	0	0	110
950	D	33.2	Very low	32.7	Very low	113 Å²	113	126.9 Å²	126.9	60%	0.604	72%	0.716	S	S	*	*			trans	61.2	128.3	140.3	-58.5	-13.7	0	0	0	125.2
951	D	33.8	Very low	32.8	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	73%	0.727	S	S	*	*				78.4	118	123.7	-58.4	-7	0	0	0	125.6
952	D	34.8	Very low	32.9	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	72%	0.72	S	S	*	*				100	131.7	116.7	-84.5	-15.7	0	0	0	127.4
953	E	31.7	Very low	32.9	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	72%	0.722	S	S	*	*			trans	63.7	141.9	134.9	-72.3	-135.1	105.7	0	0	126.9
954	S	29.5	Very low	33.1	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	73%	0.733	S	S	*	*			trans	92.6	88.7	134.3	67.5	0	0	0	0	122.9
955	S	28.2	Very low	33.1	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	73%	0.734	S	S	*	*				59.8	120.2	106.8	70.9	0	0	0	0	124.4
956	V	30.5	Very low	33	Very low	124 Å²	124	134.5 Å²	134.5	75%	0.752	73%	0.728	S	S	*	*				83	139.6	116.5	172.3	0	0	0	0	122.7
957	D	31.2	Very low	31.8	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	74%	0.735	S	S	*	*			trans	91.3	101	153.1	-87.5	-29.4	0	0	0	125
958	S	31.5	Very low	30.8	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	74%	0.741	S	S	*	*				70.6	116	109.2	-68.9	0	0	0	0	123.7
959	E	34.2	Very low	30.8	Very low	153 Å²	153	139 Å²	139	72%	0.715	74%	0.744	S	S	*	*				141.8	156.2	90.3	-123.4	-158.4	173.5	0	0	116.5
960	N	32.3	Very low	30.5	Very low	94 Å²	94	140.4 Å²	140.4	50%	0.503	75%	0.747	S	S	.	*			trans	65.8	114	158.3	-71.4	-55.5	0	0	0	122.1	K962	N960-K962 WeakPolarHBondContact OD1-CE 3.48Å; N960-K962 PolarHBondContact OD1-NZ 3.08Å
961	R	30.1	Very low	30.3	Very low	256 Å²	256	141 Å²	141	97%	0.966	76%	0.76	S	S	*	*				-143.3	146.4	100.4	-114	175.1	-178.8	178.2	0.8	112
962	K	32.1	Very low	29.9	Very low	163 Å²	163	138.5 Å²	138.5	71%	0.709	77%	0.765	S	S	*	*			trans	-119.3	149.6	-170.6	-67.1	169.2	176.2	155.6	0	111.7	N960	N960-K962 WeakPolarHBondContact OD1-CE 3.48Å; N960-K962 PolarHBondContact OD1-NZ 3.08Å
963	S	26.1	Very low	29.6	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	77%	0.765	S	S	*	*			trans	-155.9	122.5	147.4	50.4	0	0	0	0	109.3
964	F	30.7	Very low	29.6	Very low	207 Å²	207	138.3 Å²	138.3	91%	0.908	76%	0.764	S	S	*	*			trans	-155.7	120	-169.2	-138.4	-66.7	0	0	0	111.4
965	S	27.8	Very low	29.6	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	77%	0.769	S	S	*	*			trans	178.6	143.2	167.6	52.8	0	0	0	0	108.3
966	T	27.8	Very low	29.9	Very low	127 Å²	127	143.5 Å²	143.5	78%	0.779	77%	0.771	S	S	*	*			cis	-157.9	124.5	-2.3	8.6	0	0	0	0	106
967	F	29.4	Very low	30.1	Very low	206 Å²	206	143.6 Å²	143.6	90%	0.904	77%	0.767	S	S	*	*				56.5	79.6	92.4	-107.2	-78.5	0	0	0	117.1
968	G	29	Very low	30.3	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	77%	0.769	S	S	*	*				80.9	126.4	115.9	0	0	0	0	0	121.5
969	K	29.5	Very low	30.2	Very low	193 Å²	193	144.3 Å²	144.3	84%	0.839	77%	0.77	S	S	*	*			trans	-159.5	176	140	-129.6	-165.7	172.2	-168.2	0	114
970	E	28.2	Very low	29.9	Very low	148 Å²	148	140.6 Å²	140.6	69%	0.692	77%	0.774	S	S	*	*			trans	-92.7	165.1	-174.3	-45.9	129	114	0	0	113.6
971	S	28.4	Very low	29.7	Very low	125 Å²	125	140.2 Å²	140.2	87%	0.874	79%	0.791	S	S	*	*			trans	66.9	124.2	150.1	-54.7	0	0	0	0	120.6
972	G	25.5	Very low	29.6	Very low	79 Å²	79	132.1 Å²	132.1	81%	0.814	79%	0.788	S	S	*	*			trans	145.6	116.2	151.4	0	0	0	0	0	117.7
973	N	28.3	Very low	29.5	Very low	138 Å²	138	127.8 Å²	127.8	74%	0.738	79%	0.789	S	S	*	*			trans	-23.4	160.5	166.2	-71.1	19.3	0	0	0	123.5
974	E	31.3	Very low	29.7	Very low	165 Å²	165	132 Å²	132	77%	0.771	80%	0.796	S	S	*	*				105.9	146	128.9	-94.5	152.4	-118.4	0	0	123
975	E	30.2	Very low	29.6	Very low	163 Å²	163	125.8 Å²	125.8	76%	0.762	79%	0.79	S	S	*	*			trans	65.6	116.4	174.6	-53.5	-149.4	115.9	0	0	118.2
976	L	34.9	Very low	29.7	Very low	144 Å²	144	125 Å²	125	75%	0.754	80%	0.799	S	S	*	*				80.9	142.4	57.5	-72.8	169.6	0	0	0	113.1
977	D	33.4	Very low	29.7	Very low	125 Å²	125	122.8 Å²	122.8	67%	0.668	80%	0.801	S	S	*	*			cis	-150.2	-178.1	-19.6	-156	11.4	0	0	0	106.2
978	L	34.7	Very low	29.7	Very low	149 Å²	149	120.8 Å²	120.8	78%	0.78	80%	0.8	S	S	*	*			cis	-153.5	166.3	35.3	-80	162.8	0	0	0	107.3
979	S	29.8	Very low	29.9	Very low	101 Å²	101	121.8 Å²	121.8	71%	0.706	80%	0.801	S	S	*	*			cis	-173.7	146.7	-15	52.3	0	0	0	0	107.2
980	G	27.8	Very low	30	Very low	76 Å²	76	118 Å²	118	78%	0.784	81%	0.805	S	S	*	*			cis	166.9	150.4	-6.1	0	0	0	0	0	111.5
981	G	28.8	Very low	30.1	Very low	85 Å²	85	114.8 Å²	114.8	88%	0.876	81%	0.813	S	S	*	*			trans	74.2	132.9	170.6	0	0	0	0	0	116.4
982	G	28.6	Very low	30.2	Very low	86 Å²	86	112.6 Å²	112.6	89%	0.887	81%	0.809	S	S	*	*			cis	114.3	132.5	8.8	0	0	0	0	0	110.9
983	G	29.4	Very low	30.5	Very low	72 Å²	72	112.4 Å²	112.4	74%	0.742	81%	0.808	S	S	*	*			cis	-169.8	-155.2	0.2	0	0	0	0	0	111.8
984	E	31.2	Very low	30.9	Very low	207 Å²	207	111.1 Å²	111.1	97%	0.967	82%	0.816	S	S	*	*			trans	7.5	145.2	158	-54.4	175.1	135.7	0	0	120.5
985	G	28.3	Very low	31.3	Very low	76 Å²	76	106.5 Å²	106.5	78%	0.784	81%	0.813	S	S	*	*			cis	143.8	157.2	1	0	0	0	0	0	112.9
986	G	28.6	Very low	31.5	Very low	89 Å²	89	103.5 Å²	103.5	92%	0.918	81%	0.81	S	S	*	*			trans	75.8	160.5	163.6	0	0	0	0	0	118.2
987	G	29.1	Very low	31.5	Very low	80 Å²	80	103.9 Å²	103.9	83%	0.825	81%	0.812	S	S	*	*			trans	145.2	89.4	171.9	0	0	0	0	0	115.1
988	D	29.1	Very low	31.4	Very low	164 Å²	164	104.3 Å²	104.3	88%	0.877	81%	0.813	S	S	*	*			trans	-71.8	151.9	166.2	-60.3	-81.5	0	0	0	112.2
989	A	32.2	Very low	31.4	Very low	93 Å²	93	102.7 Å²	102.7	77%	0.769	81%	0.81	S	S	*	*				157.6	128.4	113.1	0	0	0	0	0	114.2
990	A	31.6	Very low	31.7	Very low	112 Å²	112	106.1 Å²	106.1	93%	0.926	82%	0.815	S	S	*	*			trans	56	146.8	160.3	0	0	0	0	0	118.8
991	G	30.6	Very low	31.9	Very low	82 Å²	82	110.9 Å²	110.9	85%	0.845	82%	0.819	S	S	*	*			cis	167.7	158.7	-2.5	0	0	0	0	0	108.2
992	G	30.2	Very low	32	Very low	78 Å²	78	114.2 Å²	114.2	80%	0.804	82%	0.816	S	S	*	*			cis	-177.4	-156.2	1.7	0	0	0	0	0	109.4
993	G	32.3	Very low	32.5	Very low	76 Å²	76	114.7 Å²	114.7	78%	0.784	81%	0.806	S	S	*	*			trans	84.6	91.9	179.3	0	0	0	0	0	112.4
994	A	36.6	Very low	32.7	Very low	111 Å²	111	117 Å²	117	92%	0.917	81%	0.806	S	S	*	*				68.3	122.3	68	0	0	0	0	0	112.9
995	G	39.1	Very low	32.7	Very low	67 Å²	67	115.4 Å²	115.4	69%	0.691	80%	0.796	S	S	*	*			cis	-155.6	174.5	-1	0	0	0	0	0	111.4
996	S	36.2	Very low	32.9	Very low	100 Å²	100	118.3 Å²	118.3	70%	0.699	79%	0.789	S	S	*	*			cis	62	134.6	26.8	-143.2	0	0	0	0	112.3
997	L	33.8	Very low	33.1	Very low	153 Å²	153	124.4 Å²	124.4	80%	0.801	78%	0.784	S	S	*	*			cis	-124.4	153.8	20	-67.1	143.2	0	0	0	111.4
998	L	32	Very low	33.1	Very low	133 Å²	133	128.1 Å²	128.1	70%	0.696	78%	0.784	S	S	*	*			cis	81.9	121.6	45.7	-109.1	173.4	0	0	0	115.5
999	T	34.4	Very low	33	Very low	115 Å²	115	128 Å²	128	71%	0.706	78%	0.783	S	S	*	*			trans	77	144.7	149.8	24.7	0	0	0	0	124
1000	E	35.5	Very low	33.6	Very low	173 Å²	173	129.1 Å²	129.1	81%	0.808	78%	0.782	S	S	*	*			trans	66.3	93.9	149.4	-68	-176.1	163.3	0	0	122.4
1001	M	32.2	Very low	34.2	Very low	177 Å²	177	128.6 Å²	128.6	87%	0.872	77%	0.769	S	S	*	*				32.7	104.2	122.5	-66.4	175.7	60.5	0	0	119.5
1002	N	31.4	Very low	34.2	Very low	154 Å²	154	129.2 Å²	129.2	82%	0.824	76%	0.761	S	S	*	*				-155.7	147.1	112.5	-126.5	-37.2	0	0	0	113.7
1003	S	38.4	Very low	34.3	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	76%	0.761	S	S	*	*			trans	6.8	135.3	167.6	63.2	0	0	0	0	120
1004	V	34.3	Very low	34.1	Very low	122 Å²	122	136.9 Å²	136.9	74%	0.739	76%	0.755	S	S	*	*				-168.8	143.3	76	146.7	0	0	0	0	111.3
1005	F	30.5	Very low	33.7	Very low	173 Å²	173	139.9 Å²	139.9	76%	0.759	75%	0.75	S	S	*	*			trans	33.3	116.9	160.5	-77.8	-116.2	0	0	0	119.7
1006	Q	32.9	Very low	33	Very low	137 Å²	137	141.8 Å²	141.8	64%	0.64	75%	0.752	S	S	*	*				57.6	131.8	81.7	-73.9	-156	73.2	0	0	115.5
1007	R	33.3	Very low	32.7	Very low	217 Å²	217	142.6 Å²	142.6	82%	0.819	75%	0.753	S	S	*	*			cis	-164.7	166	-11.9	-132.5	178	-170	147	-7.4	109.2
1008	L	28.2	Very low	32.4	Very low	158 Å²	158	143.5 Å²	143.5	83%	0.827	75%	0.753	S	S	*	*			trans	-73.5	179.2	174.6	-68.5	159.6	0	0	0	113.1
1009	L	27	Very low	32.2	Very low	162 Å²	162	143.2 Å²	143.2	85%	0.848	76%	0.757	S	S	*	*			trans	99.7	164.1	162.6	-50.9	176.4	0	0	0	115.6
1010	P	44.5	Very low	31.9	Very low	115 Å²	115	142.7 Å²	142.7	75%	0.747	76%	0.758	S	S	*	*				-129	-105.2	-95.6	25.3	1.8	0	0	0	118.6
1011	P	45.6	Very low	32.1	Very low	101 Å²	101	140.1 Å²	140.1	66%	0.656	76%	0.756	S	S	*	*				-128.4	179.9	-119.4	41.6	-24	0	0	0	117.5
1012	S	29.4	Very low	32.6	Very low	96 Å²	96	136.8 Å²	136.8	67%	0.671	75%	0.748	S	S	*	*			trans	76.5	160.4	144.2	71	0	0	0	0	121.8
1013	Y	32.3	Very low	32.5	Very low	208 Å²	208	134.3 Å²	134.3	82%	0.816	74%	0.742	S	S	*	*			trans	77.5	113.8	162.7	-80.5	-79.3	0	0	0	122.6
1014	T	28.6	Very low	32.1	Very low	106 Å²	106	136 Å²	136	65%	0.65	75%	0.754	S	S	*	*			trans	40.2	114.3	135.5	54.2	0	0	0	0	123.2
1015	E	28.2	Very low	31.9	Very low	174 Å²	174	135.1 Å²	135.1	81%	0.813	75%	0.754	S	S	*	*				68.7	145.4	109.5	-136.3	177.5	-175.6	0	0	122.6
1016	C	25.3	Very low	32	Very low	107 Å²	107	132.4 Å²	132.4	72%	0.723	76%	0.756	S	S	*	*			trans	66.9	138.2	163.3	-74.8	0	0	0	0	120.5
1017	T	28.8	Very low	31.9	Very low	117 Å²	117	130.7 Å²	130.7	72%	0.718	77%	0.766	S	S	*	*			cis	-165.7	167.8	-28.7	-5.7	0	0	0	0	110.9
1018	E	27.1	Very low	31.8	Very low	172 Å²	172	127.2 Å²	127.2	80%	0.804	77%	0.768	S	S	*	*			trans	79.3	153.2	147.6	-83.6	-176.1	-178.1	0	0	124.6
1019	T	29.4	Very low	32	Very low	127 Å²	127	127.9 Å²	127.9	78%	0.779	77%	0.767	S	S	*	*			trans	75.2	80.4	164.6	52.8	0	0	0	0	122
1020	S	27.8	Very low	32.2	Very low	105 Å²	105	131 Å²	131	73%	0.734	77%	0.768	S	S	*	*				-24.4	168.5	130	54.7	0	0	0	0	119.4
1021	P	38.4	Very low	31.6	Very low	119 Å²	119	130 Å²	130	77%	0.773	77%	0.77	S	S	*	*			cis	-130.2	-135.7	-12.8	32.3	-6.6	0	0	0	112.7
1022	P	43.9	Very low	30.9	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	77%	0.774	S	S	*	*				-129.1	168.1	-112.2	40.6	-20.8	0	0	0	118
1023	S	28.4	Very low	30.9	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	77%	0.774	S	S	*	*			trans	51.3	107.1	148.2	62.9	0	0	0	0	120.3
1024	S	30.2	Very low	30.9	Very low	131 Å²	131	132.5 Å²	132.5	92%	0.916	78%	0.781	S	S	*	*				177.2	178.3	98	46.8	0	0	0	0	111.5
1025	S	30.7	Very low	30.9	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	79%	0.788	S	S	*	*			trans	-99.4	162.5	-155.4	55.7	0	0	0	0	116.5
1026	S	31.4	Very low	31	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	79%	0.786	S	S	*	*			trans	63.1	122.3	155.8	57.7	0	0	0	0	118.7
1027	A	31.8	Very low	31.3	Very low	102 Å²	102	128.3 Å²	128.3	84%	0.843	79%	0.789	S	S	*	*			trans	-122.8	116.3	163.5	0	0	0	0	0	110.2
1028	T	31.4	Very low	31.4	Very low	143 Å²	143	129.4 Å²	129.4	88%	0.877	79%	0.789	S	S	*	*			trans	-120.5	155.3	154.4	39.5	0	0	0	0	108
1029	E	31.8	Very low	31.7	Very low	172 Å²	172	126.1 Å²	126.1	80%	0.804	79%	0.791	S	S	*	*			trans	-81.8	157.8	-147.7	-63.5	-168.7	92.7	0	0	117.4
1030	R	31.1	Very low	31.7	Very low	228 Å²	228	123.2 Å²	123.2	86%	0.86	79%	0.786	S	S	*	*			trans	0.7	142.7	151.9	-67.6	169.6	168.9	162.1	-4.3	118.5
1031	A	32.6	Very low	32	Very low	95 Å²	95	124.6 Å²	124.6	79%	0.785	79%	0.785	S	S	*	*			cis	-175.9	154.2	-7.9	0	0	0	0	0	110
1032	S	29.8	Very low	31.9	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	78%	0.783	S	S	*	*			trans	-179.2	140.5	142.2	-172.9	0	0	0	0	114.5
1033	S	30.6	Very low	31.5	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	78%	0.782	S	S	*	*			trans	51.9	125.2	144.4	62.1	0	0	0	0	124.6
1034	R	31.5	Very low	31.8	Very low	255 Å²	255	128.4 Å²	128.4	96%	0.962	78%	0.78	S	S	*	*			trans	52.1	125.4	138.9	-63.6	176.5	167	-179.1	-4.9	118.8
1035	G	28.6	Very low	32	Very low	78 Å²	78	128.9 Å²	128.9	80%	0.804	77%	0.772	S	S	*	*			cis	131.6	124.8	23.9	0	0	0	0	0	111.2
1036	G	29.7	Very low	32.2	Very low	75 Å²	75	127.7 Å²	127.7	77%	0.773	77%	0.769	S	S	*	*			trans	84	167.3	176.8	0	0	0	0	0	115.7
1037	N	31.9	Very low	32.4	Very low	145 Å²	145	128.6 Å²	128.6	78%	0.775	77%	0.769	S	S	*	*			cis	-168.5	157.3	-9.8	-133.5	0.6	0	0	0	110.7
1038	I	31.7	Very low	33.4	Very low	141 Å²	141	128.7 Å²	128.7	72%	0.723	76%	0.761	S	S	*	*			trans	53.9	108.3	150.9	-60.3	164.3	0	0	0	117.2
1039	A	32.3	Very low	33.5	Very low	103 Å²	103	129.5 Å²	129.5	85%	0.851	76%	0.755	S	S	*	*				82.4	136.1	61.9	0	0	0	0	0	117
1040	G	31.2	Very low	33.6	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	75%	0.749	S	S	*	*			trans	145	130.9	173.8	0	0	0	0	0	111.6
1041	N	34.1	Very low	33.7	Very low	134 Å²	134	120.6 Å²	120.6	72%	0.717	74%	0.737	S	S	*	*				80	143.8	51.8	-77.3	-18.1	0	0	0	113.7
1042	Y	34.9	Very low	33.7	Very low	188 Å²	188	126 Å²	126	74%	0.737	74%	0.737	S	S	*	*			cis	-159.5	165.1	12.6	-124.4	-42.9	0	0	0	112.7
1043	S	35.8	Very low	33.8	Very low	95 Å²	95	130 Å²	130	66%	0.664	74%	0.741	S	S	*	*			trans	74.7	146.2	140.3	67.4	0	0	0	0	121
1044	N	34.5	Very low	33.7	Very low	124 Å²	124	129 Å²	129	66%	0.663	75%	0.745	S	S	*	*			cis	-164.6	145.1	-9.6	-108.5	-6.8	0	0	0	113.4
1045	N	34.5	Very low	33.7	Very low	141 Å²	141	124.3 Å²	124.3	75%	0.754	74%	0.738	S	S	*	*			trans	56.2	151.2	136.2	-57.4	-14	0	0	0	121.5
1046	A	34.3	Very low	33.9	Very low	81 Å²	81	128 Å²	128	67%	0.669	74%	0.739	S	S	*	*			cis	-159.9	139.1	-2	0	0	0	0	0	109
1047	V	37.1	Very low	34.4	Very low	133 Å²	133	130.3 Å²	130.3	81%	0.806	74%	0.74	S	S	*	*				68.5	142.3	82	174.6	0	0	0	0	113.4
1048	P	53	Low	34.2	Very low	104 Å²	104	127.3 Å²	127.3	68%	0.675	74%	0.744	S	S	*	*			cis	-114.2	-154.7	-1.6	45.5	-32.6	0	0	0	111.2
1049	Q	33.3	Very low	34	Very low	161 Å²	161	124.1 Å²	124.1	75%	0.752	75%	0.746	S	S	*	*			cis	-159	178	-15.1	-127.8	157.9	-89.7	0	0	106.2
1050	D	32.8	Very low	33.7	Very low	126 Å²	126	129.6 Å²	129.6	67%	0.674	75%	0.75	S	S	*	*			cis	-143.6	-162.1	2.2	-148.9	-51.3	0	0	0	110.7
1051	S	33.2	Very low	33.8	Very low	87 Å²	87	129.9 Å²	129.9	61%	0.608	75%	0.754	S	S	*	*			trans	-112.3	178.3	-162.8	64.8	0	0	0	0	112.7
1052	R	32.8	Very low	34.1	Very low	209 Å²	209	129.6 Å²	129.6	79%	0.789	76%	0.759	S	S	*	*			cis	-169.5	154.6	12.9	-145.5	168.5	-177	-179.2	4	112.2
1053	K	32.1	Very low	34	Very low	190 Å²	190	124.5 Å²	124.5	83%	0.826	76%	0.756	S	S	*	*			trans	62.7	123.2	148.4	-91.1	178	175.1	-168.2	0	123.1
1054	G	29.4	Very low	33.7	Very low	73 Å²	73	130.1 Å²	130.1	75%	0.753	76%	0.764	S	S	*	*			trans	88.1	157.9	136.7	0	0	0	0	0	118.6
1055	L	31.2	Very low	34.5	Very low	157 Å²	157	129.4 Å²	129.4	82%	0.822	77%	0.766	S	S	*	*			cis	-163	127.3	-7.8	-159.7	92.7	0	0	0	112.5
1056	L	31.4	Very low	34.9	Very low	155 Å²	155	128.7 Å²	128.7	81%	0.812	77%	0.769	S	S	*	*			trans	62.7	162.3	157.6	-74.5	172.6	0	0	0	119.2
1057	P	41.6	Very low	34.8	Very low	124 Å²	124	128.1 Å²	128.1	81%	0.805	77%	0.771	S	S	*	*			trans	-130.5	175	-133.4	45.4	-33.3	0	0	0	117.6
1058	G	27.2	Very low	34.6	Very low	83 Å²	83	128.6 Å²	128.6	86%	0.856	77%	0.774	S	S	*	*			trans	172.2	105.2	155.6	0	0	0	0	0	114.7
1059	G	27.1	Very low	33.9	Very low	73 Å²	73	127.9 Å²	127.9	75%	0.753	78%	0.777	S	S	*	*			trans	152.4	112.3	165.2	0	0	0	0	0	118.5
1060	K	25.9	Very low	33.8	Very low	218 Å²	218	124.4 Å²	124.4	95%	0.948	78%	0.776	S	S	*	*			trans	53.9	135.3	150.6	-60.8	-173.5	176.3	-175.3	0	122.2
1061	G	34.1	Very low	33.7	Very low	72 Å²	72	130.7 Å²	130.7	74%	0.742	79%	0.79	S	S	*	*			trans	77.6	-174.5	159.1	0	0	0	0	0	116
1062	P	40.8	Very low	33.7	Very low	127 Å²	127	131 Å²	131	83%	0.825	80%	0.799	S	S	*	*			cis	-93.2	-148.1	-6	32.6	-17.7	0	0	0	110.8
1063	A	32.1	Very low	33.7	Very low	82 Å²	82	125.7 Å²	125.7	68%	0.678	80%	0.799	S	S	*	*			cis	-152.9	165.6	4.9	0	0	0	0	0	110.3
1064	Y	28.9	Very low	33.6	Very low	213 Å²	213	123.6 Å²	123.6	84%	0.835	80%	0.797	S	S	*	*			cis	84.3	152.1	17.7	-78	-51.8	0	0	0	118
1065	P	51.1	Low	33.6	Very low	108 Å²	108	125.5 Å²	125.5	70%	0.701	79%	0.794	S	S	*	*			cis	-131.2	-138.8	-23	41.6	-20.6	0	0	0	110.3
1066	P	43.6	Very low	33.6	Very low	126 Å²	126	126 Å²	126	82%	0.818	79%	0.792	S	S	*	*			cis	-127.7	142	28.1	37.8	-18.8	0	0	0	118.1
1067	G	32.3	Very low	33.3	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	79%	0.789	S	S	*	*			trans	96.4	144.1	155.1	0	0	0	0	0	117.3
1068	V	33.5	Very low	32.7	Very low	142 Å²	142	129.2 Å²	129.2	86%	0.861	79%	0.789	S	S	*	*			cis	-149	136.6	-8.7	177.4	0	0	0	0	109.4
1069	A	36.8	Very low	32.9	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	79%	0.789	S	S	*	*			trans	61	137.1	173.4	0	0	0	0	0	116.8
1070	A	33	Very low	33.4	Very low	88 Å²	88	135.4 Å²	135.4	73%	0.727	79%	0.792	S	S	*	*			cis	77.2	130.9	31.2	0	0	0	0	0	114
1071	W	30	Very low	33.4	Very low	257 Å²	257	128.2 Å²	128.2	97%	0.973	78%	0.78	S	S	*	*			cis	-149.9	-178.4	7.8	-133.9	39.6	0	0	0	112.2
1072	A	32.3	Very low	33.2	Very low	95 Å²	95	132.8 Å²	132.8	79%	0.785	79%	0.788	S	S	*	*			trans	-93.5	166.7	-167.7	0	0	0	0	0	115.5
1073	A	32.6	Very low	32.6	Very low	96 Å²	96	132.3 Å²	132.3	79%	0.793	78%	0.782	S	S	*	*			trans	-85.5	153.2	179.7	0	0	0	0	0	113.5
1074	N	30.3	Very low	32.5	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	79%	0.788	S	S	*	*				-175	162.2	96	-149.7	-10.8	0	0	0	113.1
1075	T	30	Very low	32.5	Very low	114 Å²	114	129.6 Å²	129.6	70%	0.699	78%	0.784	S	S	*	*			trans	74.1	131.5	165.6	68.1	0	0	0	0	121.3
1076	H	30	Very low	31.5	Very low	166 Å²	166	129.9 Å²	129.9	77%	0.769	78%	0.784	S	S	*	*			trans	65.8	135.2	152	-86.7	-73.6	0	0	0	123.6
1077	Y	27.1	Very low	30.8	Very low	194 Å²	194	130 Å²	130	76%	0.761	78%	0.777	S	S	*	*			trans	64.3	100.8	155	-86	-81.7	0	0	0	121.1
1078	L	28.4	Very low	30.7	Very low	153 Å²	153	133 Å²	133	80%	0.801	78%	0.777	S	S	*	*			trans	33.2	129.6	130.2	-74.1	162.7	0	0	0	121
1079	N	31.1	Very low	30.6	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	77%	0.77	S	S	*	*			trans	-28.2	141.7	160.4	-72.2	-19.8	0	0	0	115.7
1080	P	36.7	Very low	30.3	Very low	125 Å²	125	135.4 Å²	135.4	81%	0.812	77%	0.771	S	S	*	*				-141.9	149.8	119.5	37.3	-25.5	0	0	0	116.3
1081	G	27.5	Very low	30.1	Very low	67 Å²	67	135.6 Å²	135.6	69%	0.691	77%	0.767	S	S	*	*			trans	87.2	75.8	132.3	0	0	0	0	0	119
1082	N	28.8	Very low	30	Very low	169 Å²	169	128.4 Å²	128.4	90%	0.904	76%	0.756	S	S	*	*			trans	-92.6	110.7	152.1	-166	14.7	0	0	0	108.6
1083	T	27.7	Very low	29.9	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	75%	0.752	S	S	*	*			trans	-143.3	115	-174	52.9	0	0	0	0	113.9
1084	S	31	Very low	29.7	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	75%	0.748	S	S	*	*			trans	-128.7	105.6	158.5	45.4	0	0	0	0	107.8
1085	V	29.6	Very low	29.6	Very low	125 Å²	125	126.5 Å²	126.5	76%	0.758	74%	0.743	S	S	*	*				59.5	107.2	64.6	-174.8	0	0	0	0	109.1
1086	V	29.6	Very low	29.4	Very low	115 Å²	115	126.5 Å²	126.5	70%	0.697	75%	0.747	S	S	*	*			cis	-162	167.9	11.6	80.2	0	0	0	0	114.2
1087	N	29.1	Very low	30.2	Very low	128 Å²	128	123.8 Å²	123.8	68%	0.684	74%	0.744	S	S	*	*			trans	72.1	139.6	166.9	-70.5	-8	0	0	0	117.7
1088	N	29.6	Very low	30.3	Very low	133 Å²	133	119.4 Å²	119.4	71%	0.711	74%	0.743	S	S	*	*			cis	-139.9	137.1	16.8	-96	-38	0	0	0	115.1
1089	H	30.6	Very low	30.5	Very low	156 Å²	156	117.4 Å²	117.4	72%	0.722	74%	0.741	S	S	*	*			trans	37.4	121.5	142.8	-78.6	-80.4	0	0	0	125.1
1090	V	30.6	Very low	30.5	Very low	126 Å²	126	115.2 Å²	115.2	76%	0.764	74%	0.739	S	S	*	*				69.8	134.8	123.7	169	0	0	0	0	118.6
1091	S	28.7	Very low	30.2	Very low	92 Å²	92	114.5 Å²	114.5	64%	0.643	74%	0.737	S	S	*	*			cis	-167	175.1	-1.3	50.9	0	0	0	0	112.8
1092	S	28.9	Very low	30.3	Very low	106 Å²	106	118 Å²	118	74%	0.741	74%	0.744	S	S	*	*			trans	65.1	155.5	152.3	43.7	0	0	0	0	119
1093	S	29.4	Very low	30.4	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	73%	0.733	S	S	*	*			cis	-171.6	144.5	-20.9	50.8	0	0	0	0	111.5
1094	S	28.8	Very low	30.5	Very low	101 Å²	101	115.1 Å²	115.1	71%	0.706	74%	0.737	S	S	*	*			trans	44.1	129.8	147.1	62.4	0	0	0	0	123.8
1095	S	28.8	Very low	30.6	Very low	97 Å²	97	114.5 Å²	114.5	68%	0.678	73%	0.733	S	S	*	*			trans	69.4	118.6	133.8	66.1	0	0	0	0	123.4
1096	S	26.2	Very low	30.6	Very low	113 Å²	113	113.8 Å²	113.8	79%	0.79	73%	0.729	S	S	*	*				54.7	178.9	114	-33.7	0	0	0	0	120.6
1097	P	45.6	Very low	30.7	Very low	109 Å²	109	115.9 Å²	115.9	71%	0.708	74%	0.736	S	S	*	*			cis	-136.1	-177.7	-10.8	44.4	-27.7	0	0	0	116
1098	S	30.4	Very low	30.7	Very low	103 Å²	103	113.6 Å²	113.6	72%	0.72	74%	0.743	S	S	*	*			trans	14.4	154.1	141.5	72.7	0	0	0	0	122
1099	S	32.7	Very low	30.8	Very low	110 Å²	110	116.3 Å²	116.3	77%	0.769	75%	0.751	S	S	*	*				179.1	176.7	58	61.4	0	0	0	0	110.2
1100	S	30.6	Very low	31.6	Very low	116 Å²	116	114 Å²	114	81%	0.811	75%	0.75	S	S	*	*			cis	-150.9	-166	14	66.3	0	0	0	0	111.2
1101	S	30.2	Very low	32.6	Very low	110 Å²	110	113 Å²	113	77%	0.769	75%	0.746	S	S	*	*			trans	-157.4	137.1	-172.1	59.4	0	0	0	0	115.9
1102	T	29.8	Very low	32.7	Very low	139 Å²	139	116.3 Å²	116.3	85%	0.853	75%	0.751	S	S	*	*			trans	-151.3	148.8	170.8	35.3	0	0	0	0	111.1
1103	S	29.8	Very low	32.8	Very low	94 Å²	94	117.7 Å²	117.7	66%	0.657	75%	0.749	S	S	*	*			cis	-174.1	130.4	-20.4	47.6	0	0	0	0	111.9
1104	T	31.1	Very low	32.7	Very low	131 Å²	131	121.2 Å²	121.2	80%	0.804	75%	0.752	S	S	*	*			trans	49.6	139.5	147	54.1	0	0	0	0	121.7
1105	S	32.3	Very low	32.7	Very low	100 Å²	100	127.8 Å²	127.8	70%	0.699	76%	0.762	S	S	*	*			cis	-165.1	-151.3	-5.5	45.2	0	0	0	0	108
1106	T	30.1	Very low	32.6	Very low	111 Å²	111	130.4 Å²	130.4	68%	0.681	77%	0.767	S	S	*	*			cis	-167.9	171.6	17.5	-22.4	0	0	0	0	111
1107	N	31.8	Very low	33.2	Very low	159 Å²	159	130.8 Å²	130.8	85%	0.85	77%	0.767	S	S	*	*			trans	68.7	122.3	161.2	-70.2	0.7	0	0	0	121.6
1108	G	29.1	Very low	32.6	Very low	80 Å²	80	130.1 Å²	130.1	83%	0.825	77%	0.771	S	S	*	*				116.9	73.3	114.7	0	0	0	0	0	121.1
1109	Q	30.9	Very low	32.4	Very low	189 Å²	189	130 Å²	130	88%	0.883	76%	0.76	S	S	*	*			trans	-52.9	172.8	158.5	-75.4	-175.4	-42.9	0	0	114.8
1110	P	48.1	Very low	32.4	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	77%	0.767	S	S	*	*			cis	-141.2	-137.8	-48.3	44.4	-24.5	0	0	0	109
1111	P	51.2	Low	32.3	Very low	106 Å²	106	137.2 Å²	137.2	69%	0.688	77%	0.769	S	S	*	*			cis	-124.6	-165.2	-43	35.2	-16	0	0	0	113.4
1112	H	30.1	Very low	32.2	Very low	162 Å²	162	139.3 Å²	139.3	75%	0.75	77%	0.77	S	S	*	*			trans	97.7	127.9	150.9	-98.5	-69.1	0	0	0	122.7
1113	L	30.9	Very low	32.3	Very low	134 Å²	134	138.7 Å²	138.7	70%	0.702	77%	0.768	S	S	*	*			trans	70.4	122.4	148	-79.2	156.4	0	0	0	122.1
1114	K	27.5	Very low	32.3	Very low	174 Å²	174	142.2 Å²	142.2	76%	0.757	77%	0.774	S	S	*	*			trans	19.4	127.6	140.3	-61	178.1	178.2	-172.2	0	118.3
1115	W	28.9	Very low	32.3	Very low	240 Å²	240	143.5 Å²	143.5	91%	0.909	78%	0.776	S	S	*	*				-166.5	177.7	89.3	-103.4	80.8	0	0	0	109
1116	L	28	Very low	32.1	Very low	152 Å²	152	148 Å²	148	80%	0.796	78%	0.779	S	S	*	*			trans	-70.1	170.3	175.9	-77.1	162.9	0	0	0	111.9
1117	P	38.1	Very low	32.1	Very low	121 Å²	121	151.7 Å²	151.7	79%	0.786	79%	0.788	S	S	*	*			cis	-145.3	-149.5	27.4	46.1	-25.2	0	0	0	115.7
1118	A	32.2	Very low	32	Very low	94 Å²	94	151.1 Å²	151.1	78%	0.777	78%	0.781	S	S	*	*			trans	106.1	137.9	163.7	0	0	0	0	0	117.2
1119	M	26.5	Very low	32	Very low	100 Å²	100	155.1 Å²	155.1	49%	0.493	78%	0.783	S	S	.	*			trans	-77.3	163.2	166.6	-46.7	96.4	72.1	0	0	110.7	D868 C869	D868-M1119 HydrophobicContact CB-CE 4.41Å; D868-M1119 HydrophobicContact CB-SD 4.32Å; D868-M1119 VanDerWaalsContact OD2-CE 3.31Å; D868-M1119 WeakPolarHBondContact OD2-CE 3.37Å; C869-M1119 HydrophobicContact CB-SD 4.3Å
1120	E	32.3	Very low	32	Very low	199 Å²	199	152.2 Å²	152.2	93%	0.93	77%	0.774	S	S	*	*			trans	-150.3	157.9	130.1	-144	165.2	-159	0	0	109.2
1121	E	28.8	Very low	31.1	Very low	180 Å²	180	155.3 Å²	155.3	84%	0.841	78%	0.777	S	S	*	*			trans	-89.6	170.5	-163.6	-65.6	-176.2	112.2	0	0	115.1
1122	I	29.8	Very low	30	Very low	154 Å²	154	156.9 Å²	156.9	79%	0.79	78%	0.779	S	S	*	*			trans	-72.7	138.7	164.5	-62.7	160.6	0	0	0	109.4
1123	P	31.1	Very low	29.9	Very low	125 Å²	125	152.3 Å²	152.3	81%	0.812	78%	0.776	S	S	*	*			trans	-127.1	88	153.7	35.7	-22.3	0	0	0	112
1124	E	29.9	Very low	29.8	Very low	168 Å²	168	151.7 Å²	151.7	79%	0.785	78%	0.778	S	S	*	*			trans	-132.5	98.8	160.5	-78.6	-170.6	163.7	0	0	108.7
1125	N	30.1	Very low	29.9	Very low	159 Å²	159	152.9 Å²	152.9	85%	0.85	78%	0.783	S	S	*	*				-167.2	145.6	101.5	-92.2	-15.1	0	0	0	113
1126	Y	29.5	Very low	29.7	Very low	194 Å²	194	149.1 Å²	149.1	76%	0.761	78%	0.776	S	S	*	*			trans	-105	151.4	164.5	-112.4	-122.4	0	0	0	108	E1128	Y1126-E1128 HydrophobicContact CD1-CG 3.88Å; Y1126-E1128 WeakPolarHBondContact CD1-OE1 3.33Å
1127	E	29.6	Very low	29.8	Very low	188 Å²	188	150.3 Å²	150.3	88%	0.879	78%	0.777	S	S	*	*			trans	171.3	102.6	147.2	-97.7	165.3	-161.4	0	0	104.1
1128	E	29.8	Very low	29.3	Very low	148 Å²	148	147.7 Å²	147.7	69%	0.692	77%	0.772	S	S	*	*				79.5	152.9	57.4	-62.4	-165	157.8	0	0	113.9	Y1126	Y1126-E1128 HydrophobicContact CD1-CG 3.88Å; Y1126-E1128 WeakPolarHBondContact CD1-OE1 3.33Å
1129	D	29.5	Very low	29	Very low	164 Å²	164	151 Å²	151	88%	0.877	77%	0.771	S	S	*	*			trans	104.5	80.8	-163.2	-71.8	-7.3	0	0	0	113.2
1130	D	30.1	Very low	29.1	Very low	128 Å²	128	153.4 Å²	153.4	68%	0.684	78%	0.781	S	S	*	*			cis	103	159.8	19.3	-158.1	24.4	0	0	0	115.4
1131	F	28.5	Very low	28.8	Very low	172 Å²	172	149.4 Å²	149.4	75%	0.754	78%	0.775	S	S	*	*			trans	70.9	134.7	-179.5	-74.7	-102.5	0	0	0	117.7
1132	D	28.5	Very low	28.8	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	77%	0.767	S	S	*	*			cis	-161.6	166.6	-12.7	-166.9	-4.6	0	0	0	109
1133	G	29.1	Very low	28.7	Very low	67 Å²	67	147 Å²	147	69%	0.691	77%	0.768	S	S	*	*			trans	-174.5	-0.7	-176.8	0	0	0	0	0	124.4
1134	V	29.3	Very low	28.5	Very low	121 Å²	121	150.8 Å²	150.8	73%	0.733	77%	0.766	S	S	*	*			trans	61.4	107.9	162.2	-176	0	0	0	0	120.7
1135	F	27.6	Very low	28.6	Very low	198 Å²	198	152 Å²	152	87%	0.868	76%	0.764	S	S	*	*			trans	40.6	119.5	139.1	-73.2	-91.8	0	0	0	124.4
1136	H	26.4	Very low	28.5	Very low	162 Å²	162	150 Å²	150	75%	0.75	75%	0.753	S	S	*	*			trans	-73.8	161	132.3	-90.6	-15.9	0	0	0	110.2
1137	Q	29.1	Very low	28.6	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	75%	0.75	S	S	*	*			cis	-164.4	160	19.8	-137.6	172.6	41.6	0	0	112.5
1138	G	26.9	Very low	28.7	Very low	66 Å²	66	146.3 Å²	146.3	68%	0.68	75%	0.745	S	S	*	*			trans	111	139.8	158.2	0	0	0	0	0	116.6
1139	H	27.6	Very low	28.8	Very low	165 Å²	165	146 Å²	146	76%	0.764	74%	0.743	S	S	*	*			cis	-161.8	143.2	-0.3	-139.3	25.5	0	0	0	113.7
1140	Q	27.4	Very low	28.9	Very low	150 Å²	150	146.5 Å²	146.5	70%	0.701	74%	0.74	S	S	*	*			trans	67.4	113	152	-62.2	-178.4	26.4	0	0	124.6
1141	S	27.4	Very low	29	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	75%	0.746	S	S	*	*			trans	77.9	148.8	132.6	87.4	0	0	0	0	120.1
1142	S	28	Very low	29.2	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	75%	0.749	S	S	*	*			cis	-162.6	171.1	-22	63.3	0	0	0	0	112.6
1143	K	27.9	Very low	29.7	Very low	187 Å²	187	142.4 Å²	142.4	81%	0.813	76%	0.756	S	S	*	*			trans	77.7	88.4	158.6	-68.2	172	-179.5	170.7	0	120.8
1144	R	27.3	Very low	30.2	Very low	205 Å²	205	144.8 Å²	144.8	77%	0.774	75%	0.754	S	S	*	*				61.4	120.5	111.9	-78.8	-173.9	172.2	-174.4	-0.5	121.7
1145	R	30.5	Very low	31.1	Very low	195 Å²	195	145 Å²	145	74%	0.736	76%	0.755	S	S	*	*				77.3	152.9	125.4	-75.3	178	175.6	-155	2.6	118.7
1146	D	29.2	Very low	32.2	Very low	116 Å²	116	138.8 Å²	138.8	62%	0.62	74%	0.736	S	S	*	*			cis	-153.2	169	8.7	-130.2	-32.1	0	0	0	114.1
1147	S	30.8	Very low	33.2	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	73%	0.733	S	S	*	*			trans	74.5	139.5	150.5	77.6	0	0	0	0	120.7
1148	R	31.8	Very low	34.2	Very low	204 Å²	204	135.3 Å²	135.3	77%	0.77	72%	0.724	S	S	*	*			cis	-175.9	168.5	-17.8	-128.1	168.6	-179.9	-154.6	3	113.1
1149	H	32.3	Very low	35.4	Very low	140 Å²	140	134.8 Å²	134.8	65%	0.648	71%	0.713	S	S	*	*			trans	69.2	138.1	163.3	-64.6	-60.2	0	0	0	115.8
1150	E	30.9	Very low	36.6	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	71%	0.71	S	S	*	*			cis	-154.9	159.6	1	-103	161	174.1	0	0	107.1
1151	A	32.3	Very low	37.8	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	71%	0.705	S	S	*	*			cis	-154.9	127.8	-23.2	0	0	0	0	0	107.4
1152	G	32.3	Very low	39.3	Very low	79 Å²	79	132 Å²	132	81%	0.814	69%	0.689	S	S	*	*			trans	-115.7	135.6	174.8	0	0	0	0	0	110.2
1153	I	40.7	Very low	40.6	Very low	174 Å²	174	132.4 Å²	132.4	89%	0.892	68%	0.684	S	S	*	*			trans	-90.9	134.3	176.1	-64.6	176.1	0	0	0	108.4
1154	D	38.3	Very low	41.9	Very low	118 Å²	118	130.1 Å²	130.1	63%	0.631	67%	0.674	S	S	*	*			trans	-87	123.3	-169	-159.1	-39.7	0	0	0	111.2	S1156	D1154-S1156 VanDerWaalsContact C-N 3.26Å; D1154-S1156 PolarHBondContact OD1-OG 3.19Å; D1154-S1156 PolarHBondContact OD1-N 3.28Å; D1154-S1156 WeakPolarHBondContact OD1-CB 3.36Å; D1154-S1156 PolarHBondContact O-N 3.36Å; D1154-S1156 VanDerWaalsContact OD1-CB 3.29Å; D1154-S1156 VanDerWaalsContact CG-OG 3.27Å
1155	T	48	Very low	43.2	Very low	125 Å²	125	125.9 Å²	125.9	77%	0.767	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	4	-178.8	51.9	0	0	0	0	113.6
1156	S	51.3	Low	44.3	Very low	68 Å²	68	121.9 Å²	121.9	48%	0.476	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-20.2	179.9	60.9	0	0	0	0	114.9	D1154	D1154-S1156 VanDerWaalsContact C-N 3.26Å; D1154-S1156 PolarHBondContact OD1-OG 3.19Å; D1154-S1156 PolarHBondContact OD1-N 3.28Å; D1154-S1156 WeakPolarHBondContact OD1-CB 3.36Å; D1154-S1156 PolarHBondContact O-N 3.36Å; D1154-S1156 VanDerWaalsContact OD1-CB 3.29Å; D1154-S1156 VanDerWaalsContact CG-OG 3.27Å
1157	E	46.4	Very low	45.5	Very low	147 Å²	147	123.2 Å²	123.2	69%	0.687	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-37.6	-179.2	-158	158.6	-140.3	0	0	111.9	A1159 Q1160 E1161	E1157-A1159 VanDerWaalsContact C-N 3.3Å; E1157-A1159 PolarHBondContact O-N 3Å; E1157-Q1160 PolarHBondContact O-N 3.45Å; E1157-E1161 PolarHBondContact O-N 3.07Å
1158	L	50.4	Low	46.6	Very low	118 Å²	118	124 Å²	124	62%	0.618	66%	0.658	S	S	*	*	H	α-helix	trans	-59.5	-38.6	176.7	-167	74.7	0	0	0	112.4	Q1160 I1162	L1158-Q1160 PolarHBondContact O-N 3.35Å; L1158-I1162 PolarHBondContact O-N 3.45Å; L1158-I1162 VanDerWaalsContact O-N 3.13Å; L1158-I1162 WeakPolarHBondContact O-CG1 3.42Å; L1158-I1162 HydrophobicContact CG-CD1 4.11Å
1159	A	53.1	Low	47.8	Very low	54 Å²	54	120 Å²	120	45%	0.446	66%	0.656	S	S	.	*	H	α-helix	trans	-69.6	-20.3	177.6	0	0	0	0	0	113.2	E1157 N1163	E1157-A1159 VanDerWaalsContact C-N 3.3Å; E1157-A1159 PolarHBondContact O-N 3Å; A1159-N1163 PolarHBondContact O-ND2 3.46Å
1160	Q	52.8	Low	48.5	Very low	151 Å²	151	124 Å²	124	71%	0.706	67%	0.665	S	S	*	*	H	α-helix	trans	-93.1	-32.5	176.3	-66.6	-166.1	-7.9	0	0	112.7	E1157 L1158 K1164	E1157-Q1160 PolarHBondContact O-N 3.45Å; L1158-Q1160 PolarHBondContact O-N 3.35Å; Q1160-K1164 WeakPolarHBondContact O-CB 3.49Å; Q1160-K1164 PolarHBondContact O-N 3.19Å; Q1160-K1164 VanDerWaalsContact O-N 3.08Å
1161	E	52.3	Low	49.5	Very low	129 Å²	129	123.7 Å²	123.7	60%	0.603	66%	0.663	S	S	*	*	H	α-helix	trans	-69.1	-38.2	171.5	-72.3	-160.4	124.1	0	0	112.8	E1157 K1164 L1165	E1157-E1161 PolarHBondContact O-N 3.07Å; E1161-K1164 PolarHBondContact O-N 3.43Å; E1161-L1165 PolarHBondContact O-N 3.47Å
1162	I	59.7	Low	49.7	Very low	91 Å²	91	130.3 Å²	130.3	47%	0.467	69%	0.685	S	S	.	*	H	α-helix	trans	-62.6	-44.3	175.2	-69.5	169.2	0	0	0	111.2	L1158 K1164 L1165 L1166	L1158-I1162 PolarHBondContact O-N 3.45Å; L1158-I1162 VanDerWaalsContact O-N 3.13Å; L1158-I1162 WeakPolarHBondContact O-CG1 3.42Å; L1158-I1162 HydrophobicContact CG-CD1 4.11Å; I1162-K1164 PolarHBondContact O-N 3.41Å; I1162-L1165 PolarHBondContact O-N 3.11Å; I1162-L1166 HydrophobicContact CG2-CD1 4.16Å; I1162-L1166 PolarHBondContact O-N 3.35Å
1163	N	54.4	Low	50.6	Low	105 Å²	105	132.9 Å²	132.9	56%	0.561	68%	0.679	S	S	*	*	H	α-helix	trans	-68.9	-21.9	176.8	-84	-68.5	0	0	0	113.4	A1159 Q1167	A1159-N1163 PolarHBondContact O-ND2 3.46Å; N1163-Q1167 WeakPolarHBondContact O-CG 3.48Å; N1163-Q1167 PolarHBondContact O-N 3.11Å
1164	K	56.4	Low	51.1	Low	138 Å²	138	130.7 Å²	130.7	60%	0.6	67%	0.668	S	S	*	*	H	α-helix	trans	-80.8	-42.8	174.2	-167.5	177.1	179.3	-173.1	0	112	Q1160 E1161 I1162 L1166 Q1167 D1168	Q1160-K1164 WeakPolarHBondContact O-CB 3.49Å; Q1160-K1164 PolarHBondContact O-N 3.19Å; Q1160-K1164 VanDerWaalsContact O-N 3.08Å; E1161-K1164 PolarHBondContact O-N 3.43Å; I1162-K1164 PolarHBondContact O-N 3.41Å; K1164-L1166 VanDerWaalsContact C-N 3.27Å; K1164-L1166 PolarHBondContact O-N 3.2Å; K1164-Q1167 PolarHBondContact O-N 2.77Å; K1164-D1168 PolarHBondContact O-N 3.38Å
1165	L	53.7	Low	51.8	Low	116 Å²	116	131.4 Å²	131.4	61%	0.607	67%	0.67	S	S	*	*	H	α-helix	trans	-59.7	-36.5	172.1	-83.1	161.6	0	0	0	112.1	E1161 I1162 Q1167 V1169	E1161-L1165 PolarHBondContact O-N 3.47Å; I1162-L1165 PolarHBondContact O-N 3.11Å; L1165-Q1167 VanDerWaalsContact C-N 3.26Å; L1165-Q1167 PolarHBondContact O-N 2.93Å; L1165-V1169 VanDerWaalsContact O-CG2 3.31Å; L1165-V1169 WeakPolarHBondContact O-CG2 3.32Å; L1165-V1169 PolarHBondContact O-N 3.29Å
1166	L	52.7	Low	52.1	Low	112 Å²	112	131.8 Å²	131.8	59%	0.586	66%	0.664	S	S	*	*	H	α-helix	trans	-72.9	-11.7	173.4	-79.5	165	0	0	0	114.6	I1162 K1164	I1162-L1166 HydrophobicContact CG2-CD1 4.16Å; I1162-L1166 PolarHBondContact O-N 3.35Å; K1164-L1166 VanDerWaalsContact C-N 3.27Å; K1164-L1166 PolarHBondContact O-N 3.2Å
1167	Q	55.1	Low	52.1	Low	144 Å²	144	135.8 Å²	135.8	67%	0.673	68%	0.676	S	S	*	*	H	α-helix	trans	-93.6	-41.2	171.8	-76	-174.5	-12.5	0	0	112.4	N1163 K1164 L1165 V1169 R1170	N1163-Q1167 WeakPolarHBondContact O-CG 3.48Å; N1163-Q1167 PolarHBondContact O-N 3.11Å; K1164-Q1167 PolarHBondContact O-N 2.77Å; L1165-Q1167 VanDerWaalsContact C-N 3.26Å; L1165-Q1167 PolarHBondContact O-N 2.93Å; Q1167-V1169 PolarHBondContact O-N 3.25Å; Q1167-R1170 PolarHBondContact O-N 3.31Å
1168	D	53.7	Low	52.5	Low	118 Å²	118	135.1 Å²	135.1	63%	0.631	68%	0.675	S	S	*	*	H	α-helix	trans	-66.9	-23.9	177	-75.9	-23.5	0	0	0	112.8	K1164 R1170	K1164-D1168 PolarHBondContact O-N 3.38Å; D1168-R1170 PolarHBondContact O-N 3.35Å
1169	V	56.7	Low	52.7	Low	119 Å²	119	136.3 Å²	136.3	72%	0.721	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-4.6	171.6	174.8	0	0	0	0	113	L1165 Q1167	L1165-V1169 VanDerWaalsContact O-CG2 3.31Å; L1165-V1169 WeakPolarHBondContact O-CG2 3.32Å; L1165-V1169 PolarHBondContact O-N 3.29Å; Q1167-V1169 PolarHBondContact O-N 3.25Å
1170	R	48.3	Very low	52.6	Low	223 Å²	223	142.6 Å²	142.6	84%	0.842	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	11.7	177.7	-102.7	-179.4	174.9	178.6	0.1	115	Q1167 D1168	Q1167-R1170 PolarHBondContact O-N 3.31Å; D1168-R1170 PolarHBondContact O-N 3.35Å
1171	Q	50	Low	52.6	Low	170 Å²	170	141.9 Å²	141.9	79%	0.794	70%	0.697	S	S	*	*			trans	-138.8	69.1	169.5	-69.7	-163.5	-5.3	0	0	113.7
1172	N	38.3	Very low	52.6	Low	238 Å²	238	143.1 Å²	143.1	100%	1.273	71%	0.705	S	S	*	*			trans	-159	0	147.6	-91.7	-63.9	0	0	0	110

Retrieved 1,172 of 1,172 residues in 260 ms (Link to these results)

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