A0A087Y0D1_POEFO Loading...

Protocadherin 17

AlphaFold DB , UniProt , Accession A0A087Y0D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,141 aa.

						>A0A087Y0D1_POEFO|A0A087Y0D1
MHLSIFFFLLLWAQALTLKNLNYSVPEEQGPGTVIGNIAKDARLGLEQIGQGGQGKKANFRVLENSAPHLIDVDPQSGLLYTKQRIDRETLCKRNPKCQLSMEVFANDKEICMIKIDIQDINDNSPVFPSDQIDIDISENAVPGTRFPLTSAHDPDAGENGLKTYQITRDDYNLFSLEVKSRGDGTKFPELVIQRPLDREERSHHTLILSATDGGEYPRSGTMQINVKVIDSNDNSPVFDQSSYVVEIPENSPPGKVLIDLNATDPDEGNNGQVVYSFSGYAPERIRELFSIDSRTGVIKIQGEIDYEESSVIEIDVQAKDLGPNPIPGHCKVTVKVLDRNDNWPSIGFVSVRQGAISEAAPPGTVIALVRVTDKDSGRNGQLQCRVLGNVPFKLEENYDNFYTVVTDRPLDREVQDEYNVTIVAKDNGSPPLNSTKSFTVKILDENDNVPRFTKSVYLLQIPENNIPGEYLGSVLAHDPDLGQNGTVYYSIINSNVSGGDVNTYVNVNAANGAIYAVRSFNYEQIKYFDFKVLAKDAGSPHLESNATVRISVLDVNDNIPVIVLPLLQNDTAEIHVPRNVGVGYIVTTVRAVDNDYGESGRLTYEISDGNEEHLFEIDPVTGEVRTAHPFWDDVSPIVELIIRVSDHGKPTLTAAARLIVKASNGRPPDGLPHMKDNQNWDMSLPLIVTLSIISIMLLAAMVTIAIKCKRENKEIRTYNCRIAEYSHPQLGKGKKKKINKNDIMLVQSEVEERDAMNVMNVVSSPSLATSPMYFDYQTRLPLSSPRSEVMYLKPTANNLSVPQSHVGCHTSFTGPVTSTTDTPTNRMSIIQTDNFPAEPNYMGSRQQFVQSSSTFKDPERASLRDSGHGDSDQADSDQDTNKGSCCDMSAKEALKLKAAGVKPPPLEQDEDCLNCTEECRVLGHSDRCWMPQFPAGGNQAEGVDYRNNMFVPAGMEAVAETETYETVNPNGKKTFCTFGKERRDHTILVANVKPYLKAKRALSPLLQEVPSASSSPTKGCSTMPPCSAVKGPADGAEGKPPPASCSIHYGPPDGQYLSPTKQTRDQGVYPSLPPSDPVAKVLAEARSRISQEAAGEMECVLEQAEPDSSRDGMDADQVVRDIDKLLQDCRESEATGTLRK
					

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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	46.2	Very low	45.1	Very low	225 Å²	225	160.3 Å²	160.3	100%	1.108	80%	0.797	S	S	*	*				0	176.6	0	-73.8	160.6	68.8	0	0	108.9
2	H	42.2	Very low	44.7	Very low	155 Å²	155	168.1 Å²	168.1	72%	0.718	81%	0.811	S	S	*	*			trans	76	5.7	-177.3	-54.3	-71.7	0	0	0	119.4	S4	H2-S4 PolarHBondContact O-N 3.05Å
3	L	45.4	Very low	44.2	Very low	171 Å²	171	162 Å²	162	90%	0.895	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	1.5	159.9	-149.4	76.4	0	0	0	112.9
4	S	47.9	Very low	43.9	Very low	103 Å²	103	162.2 Å²	162.2	72%	0.72	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	8.6	-165.4	-166.7	0	0	0	0	114.9	H2	H2-S4 PolarHBondContact O-N 3.05Å
5	I	50.8	Low	44.2	Very low	113 Å²	113	157.5 Å²	157.5	58%	0.579	80%	0.8	S	S	*	*	S	Bend	trans	-106.8	-29.6	-176.1	-62.8	177.9	0	0	0	111.9	F7	I5-F7 PolarHBondContact O-N 3.48Å
6	F	45.4	Very low	44.9	Very low	180 Å²	180	154.8 Å²	154.8	79%	0.789	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-77.7	-19.3	-176.8	-126.2	-89.7	0	0	0	114.5	F8	F6-F8 VanDerWaalsContact C-N 3.35Å; F6-F8 PolarHBondContact O-N 3.43Å
7	F	46.2	Very low	45.9	Very low	180 Å²	180	149.8 Å²	149.8	79%	0.789	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-84.4	-2.2	-172.4	-125.8	-87	0	0	0	114.9	I5	I5-F7 PolarHBondContact O-N 3.48Å
8	F	44.2	Very low	47.4	Very low	189 Å²	189	147.7 Å²	147.7	83%	0.829	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-107.8	1.5	-171.4	-127.1	-88	0	0	0	114.9	F6	F6-F8 VanDerWaalsContact C-N 3.35Å; F6-F8 PolarHBondContact O-N 3.43Å
9	L	45.5	Very low	49	Very low	154 Å²	154	142.8 Å²	142.8	81%	0.806	73%	0.729	S	S	*	*	S	Bend	trans	-119.8	-0.7	-170.8	-94.2	165.3	0	0	0	115.9
10	L	42.1	Very low	50.7	Low	145 Å²	145	141.7 Å²	141.7	76%	0.759	72%	0.724	S	S	*	*	S	Bend	trans	-114	7.9	-177.2	-93.6	163.4	0	0	0	115.1
11	L	40.4	Very low	52.4	Low	148 Å²	148	135.8 Å²	135.8	78%	0.775	70%	0.695	S	S	*	*	S	Bend	trans	-92.4	1.9	179.5	-90.8	162.9	0	0	0	114.6
12	W	39.7	Very low	54.4	Low	254 Å²	254	131.2 Å²	131.2	96%	0.962	67%	0.674	S	S	*	*			trans	-130.3	52.9	-172.4	-91.3	67.2	0	0	0	113.1
13	A	38.3	Very low	56.6	Low	89 Å²	89	125.2 Å²	125.2	74%	0.736	65%	0.646	S	S	*	*			trans	-129.6	93.2	167.3	0	0	0	0	0	109.9	A15	A13-A15 PolarHBondContact O-N 3.23Å
14	Q	40.4	Very low	58.7	Low	165 Å²	165	119.9 Å²	119.9	77%	0.771	62%	0.623	S	S	*	*			trans	-75.8	114.1	165.1	-68.4	-164.3	-25.7	0	0	107.8	L16	Q14-L16 PolarHBondContact O-N 2.83Å
15	A	48.1	Very low	60.7	Low	92 Å²	92	115.2 Å²	115.2	76%	0.76	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-66.5	130.4	174.6	0	0	0	0	0	110	A13 T17	A13-A15 PolarHBondContact O-N 3.23Å; A15-T17 PolarHBondContact O-N 3.4Å
16	L	55	Low	62.5	Low	113 Å²	113	112.2 Å²	112.2	59%	0.592	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62	128	169	-77.2	133.7	0	0	0	109.1	Q14 F105	Q14-L16 PolarHBondContact O-N 2.83Å; L16-F105 HydrophobicContact CD2-CE2 3.71Å; L16-F105 HydrophobicContact CD2-CZ 4.29Å
17	T	62	Low	64.5	Low	70 Å²	70	103.7 Å²	103.7	43%	0.429	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128	173.7	42.5	0	0	0	0	109.8	A15 E110 I111	A15-T17 PolarHBondContact O-N 3.4Å; T17-E110 VanDerWaalsContact OG1-CG 3.29Å; T17-E110 WeakPolarHBondContact OG1-CG 3.16Å; T17-E110 PolarHBondContact OG1-OE1 2.97Å; T17-I111 PolarHBondContact O-N 2.04Å
18	L	73.6	Confident	66.5	Low	112 Å²	112	96.6 Å²	96.6	59%	0.586	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.6	170.6	-165.8	76.5	0	0	0	108.8	I111 M113	L18-I111 WeakPolarHBondContact CA-O 3.18Å; L18-I111 HydrophobicContact CD1-CB 3.97Å; L18-I111 HydrophobicContact CD1-CG2 3.88Å; L18-M113 HydrophobicContact CD1-CG 3.7Å; L18-M113 HydrophobicContact CD1-SD 4.09Å; L18-M113 HydrophobicContact CD2-CG 4.17Å; L18-M113 HydrophobicContact CG-CG 3.99Å
19	K	78	Confident	68.5	Low	55 Å²	55	90.7 Å²	90.7	24%	0.239	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.5	174.4	-71	178.6	-179.8	168.6	0	109.7	A42 E110 I111 C112 M113	K19-A42 HydrophobicContact CD-CB 3.94Å; K19-A42 PolarHBondContact NZ-O 3.35Å; K19-E110 VanDerWaalsContact CE-OE1 3.27Å; K19-E110 WeakPolarHBondContact CE-OE1 3.28Å; K19-E110 VanDerWaalsContact CE-OE2 3.24Å; K19-E110 WeakPolarHBondContact CE-OE2 3.36Å; K19-E110 IonicContact NZ-OE1 3.91Å; K19-E110 PolarHBondContact NZ-OE1 3.25Å; K19-E110 IonicContact NZ-OE2 3.6Å; K19-E110 PolarHBondContact NZ-OE2 2.76Å; K19-I111 PolarHBondContact N-O 2.89Å; K19-C112 CarbonylContact O-C 3.55Å; K19-C112 VanDerWaalsContact O-CA 3.31Å; K19-C112 WeakPolarHBondContact O-CA 3.1Å; K19-M113 PolarHBondContact O-N 2.94Å
20	N	83.2	Confident	70.2	Confident	120 Å²	120	85 Å²	85	64%	0.642	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.5	174	-61.7	-21.4	0	0	0	108.6	M113	N20-M113 CarbonylContact C-O 3.59Å; N20-M113 WeakPolarHBondContact CA-O 3.43Å; N20-M113 WeakPolarHBondContact OD1-CB 3.38Å
21	L	85.1	Confident	72.3	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.099	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.2	173.5	-62.2	179	0	0	0	108.8	Y23 I38 D41 A42 C112 M113 I114 K115	L21-Y23 HydrophobicContact CB-CE2 4.18Å; L21-Y23 HydrophobicContact CD1-CE2 4.22Å; L21-I38 HydrophobicContact CD1-CB 4.29Å; L21-I38 HydrophobicContact CD1-CG1 4.26Å; L21-I38 HydrophobicContact CD1-CG2 3.88Å; L21-D41 HydrophobicContact CD2-CB 4.41Å; L21-A42 HydrophobicContact CD1-CB 4.38Å; L21-C112 HydrophobicContact CD1-CB 4.41Å; L21-M113 PolarHBondContact N-O 2.77Å; L21-I114 WeakPolarHBondContact O-CA 3.03Å; L21-K115 PolarHBondContact O-N 2.82Å
22	N	88.4	Confident	74.3	Confident	128 Å²	128	77.9 Å²	77.9	68%	0.684	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.4	168.8	-68.8	3.5	0	0	0	108	K115	N22-K115 CarbonylContact C-O 3.58Å; N22-K115 WeakPolarHBondContact CA-O 3.19Å
23	Y	89.3	Confident	76.6	Confident	29 Å²	29	68 Å²	68	11%	0.114	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	162.5	166.4	-66.9	-66.4	0	0	0	109.5	L21 I35 N37 I38 D41 L80 I114 K115 I116 D117	L21-Y23 HydrophobicContact CB-CE2 4.18Å; L21-Y23 HydrophobicContact CD1-CE2 4.22Å; Y23-I35 HydrophobicContact CG-CG2 4.27Å; Y23-N37 VanDerWaalsContact OH-C 3.31Å; Y23-N37 PolarHBondContact OH-O 3.06Å; Y23-I38 HydrophobicContact CE2-CG1 4.18Å; Y23-I38 PolarHBondContact OH-N 2.81Å; Y23-D41 VanDerWaalsContact CE1-OD2 3.3Å; Y23-D41 WeakPolarHBondContact CE1-OD2 3.21Å; Y23-D41 WeakPolarHBondContact OH-CB 3.26Å; Y23-D41 PolarHBondContact OH-OD2 3.44Å; Y23-L80 HydrophobicContact CD2-CD2 3.61Å; Y23-L80 HydrophobicContact CE2-CD2 4.13Å; Y23-L80 HydrophobicContact CG-CD2 4.27Å; Y23-I114 HydrophobicContact CD2-CG2 3.72Å; Y23-I114 HydrophobicContact CE2-CG2 4.15Å; Y23-K115 PolarHBondContact N-O 3.22Å; Y23-I116 WeakPolarHBondContact O-CA 3.32Å; Y23-D117 PolarHBondContact O-N 2.55Å
24	S	88.7	Confident	79	Confident	59 Å²	59	67.6 Å²	67.6	41%	0.413	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.7	169.1	58.5	0	0	0	0	108.4	D117	S24-D117 VanDerWaalsContact CA-O 3.28Å; S24-D117 WeakPolarHBondContact CA-O 3Å
25	V	89.7	Confident	81.3	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133	172.7	71.7	0	0	0	0	107.9	Q29 I35 I86 I116 D117 I118 Q119	V25-Q29 HydrophobicContact CG2-CG 4.19Å; V25-I35 HydrophobicContact CB-CD1 4.25Å; V25-I35 HydrophobicContact CB-CG1 4.11Å; V25-I35 HydrophobicContact CB-CG2 4.12Å; V25-I35 HydrophobicContact CG1-CD1 4.15Å; V25-I35 HydrophobicContact CG2-CD1 4.32Å; V25-I35 HydrophobicContact CG2-CG1 3.86Å; V25-I86 HydrophobicContact CG1-CD1 4.42Å; V25-I116 HydrophobicContact CG1-CG2 3.96Å; V25-D117 PolarHBondContact N-O 3.4Å; V25-I118 HydrophobicContact CG1-CD1 3.67Å; V25-Q119 PolarHBondContact O-N 2.73Å
26	P	88.4	Confident	83	Confident	51 Å²	51	56.9 Å²	56.9	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	153.9	163	27.5	-34.2	0	0	0	109.3	Q29 Q119 I121	P26-Q29 HydrophobicContact CG-CG 4.07Å; P26-Q29 WeakPolarHBondContact O-CG 3.49Å; P26-Q119 WeakPolarHBondContact CA-O 3.37Å; P26-I121 HydrophobicContact CB-CG2 4.24Å
27	E	88.9	Confident	84.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-79.6	-175.4	173.9	70.5	177.6	108.7	0	0	113.1	Q29 I86 R88 I118 Q119 D120 I121	E27-Q29 WeakPolarHBondContact O-CG 3.24Å; E27-Q29 PolarHBondContact O-N 2.67Å; E27-Q29 PolarHBondContact O-NE2 2.89Å; E27-I86 WeakPolarHBondContact CB-O 3.25Å; E27-R88 HydrophobicContact CB-CB 4.39Å; E27-R88 WeakPolarHBondContact OE1-CB 3.33Å; E27-R88 VanDerWaalsContact OE1-CD 3.27Å; E27-R88 WeakPolarHBondContact OE1-CD 3.41Å; E27-R88 IonicContact OE1-NE 3.3Å; E27-R88 PolarHBondContact OE1-NE 3.31Å; E27-R88 WeakPolarHBondContact OE2-CB 3.48Å; E27-R88 PolarHBondContact OE2-N 3.5Å; E27-I118 HydrophobicContact CB-CG2 3.85Å; E27-Q119 PolarHBondContact N-O 2.97Å; E27-D120 WeakPolarHBondContact OE1-CA 3.3Å; E27-I121 HydrophobicContact CG-CB 4.38Å; E27-I121 HydrophobicContact CG-CD1 3.86Å; E27-I121 HydrophobicContact CG-CG1 3.6Å; E27-I121 HydrophobicContact CG-CG2 4.22Å; E27-I121 PolarHBondContact OE1-N 2.8Å
28	E	88	Confident	85.6	Confident	32 Å²	32	50 Å²	50	15%	0.15	30%	0.298	C	S	.	.	S	Bend	trans	54	12.7	-179.8	-60.4	-74.8	-114.3	0	0	115.6	R85 I86 I121	E28-R85 PolarHBondContact O-NE 2.67Å; E28-R85 IonicContact OE1-CZ 3.7Å; E28-R85 IonicContact OE1-NE 3.42Å; E28-R85 IonicContact OE1-NH1 2.89Å; E28-R85 PolarHBondContact OE1-NH1 3.22Å; E28-R85 IonicContact OE1-NH2 2.67Å; E28-R85 PolarHBondContact OE1-NH2 3.17Å; E28-R85 VanDerWaalsContact OE2-CG 3.28Å; E28-R85 WeakPolarHBondContact OE2-CG 3.41Å; E28-R85 IonicContact OE2-CZ 2.77Å; E28-R85 IonicContact OE2-NE 2.62Å; E28-R85 PolarHBondContact OE2-NE 3.44Å; E28-R85 VanDerWaalsContact OE2-NE 3.13Å; E28-R85 IonicContact OE2-NH1 2.72Å; E28-R85 PolarHBondContact OE2-NH1 2.96Å; E28-R85 IonicContact OE2-NH2 2.87Å; E28-R85 PolarHBondContact OE2-NH2 3.04Å; E28-I86 WeakPolarHBondContact CA-O 3.15Å; E28-I86 PolarHBondContact N-O 3.49Å; E28-I121 HydrophobicContact CB-CD1 3.96Å; E28-I121 HydrophobicContact CG-CD1 4.07Å
29	Q	84.8	Confident	85.8	Confident	64 Å²	64	44.7 Å²	44.7	30%	0.299	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-64.1	136.9	175.1	-60.1	-54	-64.5	0	0	111.5	V25 P26 E27 T33 R85	V25-Q29 HydrophobicContact CG2-CG 4.19Å; P26-Q29 HydrophobicContact CG-CG 4.07Å; P26-Q29 WeakPolarHBondContact O-CG 3.49Å; E27-Q29 WeakPolarHBondContact O-CG 3.24Å; E27-Q29 PolarHBondContact O-N 2.67Å; E27-Q29 PolarHBondContact O-NE2 2.89Å; Q29-T33 HydrophobicContact CB-CG2 4.16Å; Q29-T33 HydrophobicContact CG-CG2 4.29Å; Q29-R85 WeakPolarHBondContact O-CA 3.34Å
30	G	83	Confident	85.8	Confident	34 Å²	34	49.5 Å²	49.5	35%	0.351	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-61.8	161.8	176	0	0	0	0	0	113.5	T33 T82	G30-T33 PolarHBondContact O-N 3.04Å; G30-T33 PolarHBondContact O-OG1 2.93Å; G30-T82 PolarHBondContact O-OG1 3.42Å
31	P	85.5	Confident	85.8	Confident	96 Å²	96	46.9 Å²	46.9	62%	0.623	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	135.9	173.8	29.3	-35.6	0	0	0	110.9	K83	P31-K83 WeakPolarHBondContact CB-O 3.03Å
32	G	83.1	Confident	85.3	Confident	49 Å²	49	46.3 Å²	46.3	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-2.6	-176.7	0	0	0	0	0	114.8	V34 T82	G32-V34 PolarHBondContact O-N 3.01Å; G32-T82 PolarHBondContact N-O 3.13Å; G32-T82 PolarHBondContact N-OG1 2.95Å
33	T	87.8	Confident	84.5	Confident	45 Å²	45	50.9 Å²	50.9	28%	0.276	28%	0.283	S	S	.	.			trans	-65.3	124.3	174	-67.8	0	0	0	0	110.3	Q29 G30 Y81 T82	Q29-T33 HydrophobicContact CB-CG2 4.16Å; Q29-T33 HydrophobicContact CG-CG2 4.29Å; G30-T33 PolarHBondContact O-N 3.04Å; G30-T33 PolarHBondContact O-OG1 2.93Å; T33-Y81 CarbonylContact O-C 3.58Å; T33-Y81 WeakPolarHBondContact O-CA 3.22Å; T33-T82 PolarHBondContact N-OG1 2.86Å; T33-T82 PolarHBondContact O-N 2.85Å; T33-T82 PolarHBondContact O-OG1 2.75Å
34	V	88	Confident	83.4	Confident	81 Å²	81	50.6 Å²	50.6	49%	0.491	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.8	177.8	173.8	0	0	0	0	109.8	G32 L79	G32-V34 PolarHBondContact O-N 3.01Å; V34-L79 HydrophobicContact CG1-CD2 3.75Å
35	I	87.8	Confident	81.9	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.108	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-37.2	179	-57.7	179.2	0	0	0	111	Y23 V25 I71 L80 T82 I116	Y23-I35 HydrophobicContact CG-CG2 4.27Å; V25-I35 HydrophobicContact CB-CD1 4.25Å; V25-I35 HydrophobicContact CB-CG1 4.11Å; V25-I35 HydrophobicContact CB-CG2 4.12Å; V25-I35 HydrophobicContact CG1-CD1 4.15Å; V25-I35 HydrophobicContact CG2-CD1 4.32Å; V25-I35 HydrophobicContact CG2-CG1 3.86Å; I35-I71 HydrophobicContact CD1-CG2 3.86Å; I35-L80 HydrophobicContact CB-CB 4.43Å; I35-L80 HydrophobicContact CB-CD2 3.83Å; I35-L80 HydrophobicContact CB-CG 3.93Å; I35-L80 HydrophobicContact CD1-CD2 4.4Å; I35-L80 HydrophobicContact CD1-CG 4.24Å; I35-L80 HydrophobicContact CG1-CG 4.5Å; I35-L80 HydrophobicContact CG2-CD2 3.68Å; I35-L80 HydrophobicContact CG2-CG 4.34Å; I35-L80 PolarHBondContact N-O 2.72Å; I35-T82 HydrophobicContact CD1-CG2 4.1Å; I35-T82 HydrophobicContact CG1-CG2 4.35Å; I35-I116 HydrophobicContact CD1-CG2 4.43Å; I35-I116 HydrophobicContact CG2-CG2 4.3Å
36	G	85.7	Confident	80.1	Confident	12 Å²	12	56.6 Å²	56.6	12%	0.124	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	174.4	-175.4	0	0	0	0	0	113.5	L80	G36-L80 PolarHBondContact O-N 2.98Å
37	N	86.7	Confident	78.1	Confident	37 Å²	37	63 Å²	63	20%	0.198	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	98.1	176.7	-172.6	-84.2	0	0	0	111.2	Y23 A39 K40 D41 S77 L79	Y23-N37 VanDerWaalsContact OH-C 3.31Å; Y23-N37 PolarHBondContact OH-O 3.06Å; N37-A39 PolarHBondContact O-N 3.17Å; N37-A39 WeakPolarHBondContact OD1-CB 3.34Å; N37-A39 PolarHBondContact OD1-N 2.81Å; N37-K40 HydrophobicContact CB-CB 4.16Å; N37-K40 PolarHBondContact O-N 2.89Å; N37-K40 VanDerWaalsContact OD1-CB 3.22Å; N37-K40 WeakPolarHBondContact OD1-CB 3.35Å; N37-K40 PolarHBondContact OD1-N 3.21Å; N37-D41 PolarHBondContact N-OD2 3.49Å; N37-D41 PolarHBondContact O-N 3.01Å; N37-S77 PolarHBondContact ND2-O 2.82Å; N37-S77 VanDerWaalsContact ND2-O 3.13Å; N37-L79 HydrophobicContact CB-CD2 3.97Å; N37-L79 WeakPolarHBondContact ND2-CD2 3.29Å
38	I	83.9	Confident	75.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-57.7	-37.6	-176.2	-62.3	153.6	0	0	0	110.9	L21 Y23 A42 F60 V73 G78 L80 V104 C112 I114	L21-I38 HydrophobicContact CD1-CB 4.29Å; L21-I38 HydrophobicContact CD1-CG1 4.26Å; L21-I38 HydrophobicContact CD1-CG2 3.88Å; Y23-I38 HydrophobicContact CE2-CG1 4.18Å; Y23-I38 PolarHBondContact OH-N 2.81Å; I38-A42 WeakPolarHBondContact O-CB 3.42Å; I38-A42 PolarHBondContact O-N 3.21Å; I38-F60 HydrophobicContact CB-CE1 4.46Å; I38-F60 HydrophobicContact CG2-CD1 4.2Å; I38-F60 HydrophobicContact CG2-CE1 3.98Å; I38-V73 HydrophobicContact CD1-CB 4.23Å; I38-V73 HydrophobicContact CD1-CG1 3.67Å; I38-V73 HydrophobicContact CD1-CG2 3.42Å; I38-V73 VanDerWaalsContact CD1-CG2 3.42Å; I38-G78 WeakPolarHBondContact CB-O 3.45Å; I38-G78 PolarHBondContact N-O 3.4Å; I38-L80 HydrophobicContact CD1-CB 4.15Å; I38-V104 HydrophobicContact CD1-CG2 4.45Å; I38-C112 HydrophobicContact CG2-CB 4.3Å; I38-I114 HydrophobicContact CD1-CD1 3.37Å; I38-I114 HydrophobicContact CG1-CD1 3.66Å
39	A	77.5	Confident	73.5	Confident	2 Å²	2	79.2 Å²	79.2	2%	0.017	43%	0.431	C	S	.	.	H	α-helix	trans	-60.1	-51.8	178.5	0	0	0	0	0	111.9	N37 R43 L44 F60	N37-A39 PolarHBondContact O-N 3.17Å; N37-A39 WeakPolarHBondContact OD1-CB 3.34Å; N37-A39 PolarHBondContact OD1-N 2.81Å; A39-R43 PolarHBondContact O-N 3.22Å; A39-L44 WeakPolarHBondContact O-CB 3.48Å; A39-L44 PolarHBondContact O-N 3.38Å; A39-F60 HydrophobicContact CB-CE1 4.35Å; A39-F60 HydrophobicContact CB-CE2 3.96Å; A39-F60 HydrophobicContact CB-CZ 3.45Å; A39-F60 VanDerWaalsContact CB-CZ 3.45Å
40	K	79.2	Confident	71.2	Confident	155 Å²	155	79 Å²	79	67%	0.674	45%	0.445	S	S	*	.	H	α-helix	trans	-64.7	-48.9	179.1	-178.7	-167.4	173.8	-159.4	0	111.5	N37 R43	N37-K40 HydrophobicContact CB-CB 4.16Å; N37-K40 PolarHBondContact O-N 2.89Å; N37-K40 VanDerWaalsContact OD1-CB 3.22Å; N37-K40 WeakPolarHBondContact OD1-CB 3.35Å; N37-K40 PolarHBondContact OD1-N 3.21Å; K40-R43 WeakPolarHBondContact O-CA 3.45Å; K40-R43 PolarHBondContact O-N 2.78Å
41	D	81.9	Confident	69.2	Low	66 Å²	66	87.2 Å²	87.2	35%	0.353	48%	0.475	S	S	.	.	H	α-helix	trans	-80.3	-33	-166.1	-54.7	-33.3	0	0	0	111.8	L21 Y23 N37 R43	L21-D41 HydrophobicContact CD2-CB 4.41Å; Y23-D41 VanDerWaalsContact CE1-OD2 3.3Å; Y23-D41 WeakPolarHBondContact CE1-OD2 3.21Å; Y23-D41 WeakPolarHBondContact OH-CB 3.26Å; Y23-D41 PolarHBondContact OH-OD2 3.44Å; N37-D41 PolarHBondContact N-OD2 3.49Å; N37-D41 PolarHBondContact O-N 3.01Å; D41-R43 PolarHBondContact O-N 2.71Å
42	A	74.3	Confident	67.1	Low	6 Å²	6	86.9 Å²	86.9	5%	0.05	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.6	165.8	0	0	0	0	0	113.5	K19 L21 I38 L44	K19-A42 HydrophobicContact CD-CB 3.94Å; K19-A42 PolarHBondContact NZ-O 3.35Å; L21-A42 HydrophobicContact CD1-CB 4.38Å; I38-A42 WeakPolarHBondContact O-CB 3.42Å; I38-A42 PolarHBondContact O-N 3.21Å; A42-L44 VanDerWaalsContact C-N 3.32Å; A42-L44 HydrophobicContact CB-CD1 3.91Å; A42-L44 HydrophobicContact CB-CG 4.07Å; A42-L44 PolarHBondContact O-N 3.01Å
43	R	71.4	Confident	64.8	Low	224 Å²	224	87.7 Å²	87.7	85%	0.845	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	37.8	-175.5	-51.6	-176.5	-177.2	-168.8	0.2	113.7	A39 K40 D41 G45	A39-R43 PolarHBondContact O-N 3.22Å; K40-R43 WeakPolarHBondContact O-CA 3.45Å; K40-R43 PolarHBondContact O-N 2.78Å; D41-R43 PolarHBondContact O-N 2.71Å; R43-G45 PolarHBondContact O-N 3.47Å
44	L	67.9	Low	62.7	Low	23 Å²	23	95.3 Å²	95.3	12%	0.12	53%	0.53	C	S	.	.			trans	-78.9	106.1	174.4	-70.6	160.8	0	0	0	109.3	A39 A42 L46 F60 A106 E110	A39-L44 WeakPolarHBondContact O-CB 3.48Å; A39-L44 PolarHBondContact O-N 3.38Å; A42-L44 VanDerWaalsContact C-N 3.32Å; A42-L44 HydrophobicContact CB-CD1 3.91Å; A42-L44 HydrophobicContact CB-CG 4.07Å; A42-L44 PolarHBondContact O-N 3.01Å; L44-L46 PolarHBondContact O-N 2.79Å; L44-L46 VanDerWaalsContact O-N 3.12Å; L44-F60 HydrophobicContact CD1-CE1 3.61Å; L44-F60 HydrophobicContact CD1-CZ 3.94Å; L44-A106 HydrophobicContact CD1-CB 3.56Å; L44-E110 HydrophobicContact CD2-CG 4.46Å; L44-E110 VanDerWaalsContact CD2-OE2 3.22Å; L44-E110 WeakPolarHBondContact CD2-OE2 3.5Å
45	G	56	Low	60.5	Low	65 Å²	65	94.9 Å²	94.9	67%	0.67	54%	0.542	S	S	*	.			trans	-61.9	110.7	-173.1	0	0	0	0	0	114.1	R43 E47	R43-G45 PolarHBondContact O-N 3.47Å; G45-E47 PolarHBondContact O-N 3.46Å
46	L	53.4	Low	58.9	Low	125 Å²	125	103.9 Å²	103.9	65%	0.654	58%	0.58	S	S	*	*			trans	-79.7	86.2	159.5	-71.5	165.6	0	0	0	108	L44 A58	L44-L46 PolarHBondContact O-N 2.79Å; L44-L46 VanDerWaalsContact O-N 3.12Å; L46-A58 HydrophobicContact CD2-CB 4.08Å
47	E	45.8	Very low	57.7	Low	187 Å²	187	111 Å²	111	87%	0.874	61%	0.608	S	S	*	*			trans	-64.3	147.7	-174.6	-66.2	-171.2	137.1	0	0	113	G45	G45-E47 PolarHBondContact O-N 3.46Å
48	Q	39.6	Very low	56.7	Low	194 Å²	194	110 Å²	110	91%	0.907	60%	0.604	S	S	*	*			trans	-75.3	152.9	-166.4	-70.1	-175.9	-15.7	0	0	114.3	G50	Q48-G50 PolarHBondContact O-N 2.98Å
49	I	41.3	Very low	56.5	Low	177 Å²	177	111.8 Å²	111.8	91%	0.908	61%	0.614	S	S	*	*			trans	-75.1	106.8	-176.1	-59.8	169.6	0	0	0	110.8
50	G	35.4	Very low	56.7	Low	59 Å²	59	111.9 Å²	111.9	61%	0.608	61%	0.614	S	S	*	*			trans	-100.5	147.7	159.7	0	0	0	0	0	111.2	Q48	Q48-G50 PolarHBondContact O-N 2.98Å
51	Q	40.4	Very low	56.8	Low	207 Å²	207	110.9 Å²	110.9	97%	0.967	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	134.4	178.7	-68.3	178.4	-15.6	0	0	111.7
52	G	41.7	Very low	56.9	Low	89 Å²	89	110.2 Å²	110.2	92%	0.918	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.5	7.8	155.4	0	0	0	0	0	119.2
53	G	35.6	Very low	57.3	Low	66 Å²	66	114.5 Å²	114.5	68%	0.68	63%	0.626	S	S	*	*	S	Bend	trans	-156.7	151.3	176.9	0	0	0	0	0	114.1	G55	G53-G55 PolarHBondContact O-N 2.82Å
54	Q	42.4	Very low	58	Low	205 Å²	205	110.2 Å²	110.2	96%	0.958	62%	0.615	S	S	*	*			trans	-66.7	101.9	-177.6	-72.5	178.2	-33.5	0	0	112.2
55	G	43	Very low	58.8	Low	73 Å²	73	110.4 Å²	110.4	75%	0.753	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-67.2	138.4	165.6	0	0	0	0	0	111.4	G53	G53-G55 PolarHBondContact O-N 2.82Å
56	K	54.7	Low	60.2	Low	209 Å²	209	110.4 Å²	110.4	91%	0.909	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-73.7	128.1	174.9	-70.1	-176	177	-177.3	0	109.8
57	K	58.7	Low	61.6	Low	162 Å²	162	104.5 Å²	104.5	70%	0.704	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.3	165.7	-73.3	-171.8	168	-167.7	0	110
58	A	66.6	Low	63.4	Low	15 Å²	15	99.2 Å²	99.2	12%	0.124	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-66.4	154	165.7	0	0	0	0	0	110.7	L46 F60 N107	L46-A58 HydrophobicContact CD2-CB 4.08Å; A58-F60 HydrophobicContact CB-CD2 4.47Å; A58-F60 HydrophobicContact CB-CE2 3.75Å; A58-F60 HydrophobicContact CB-CZ 4.48Å; A58-N107 WeakPolarHBondContact CA-OD1 3.33Å; A58-N107 WeakPolarHBondContact CB-OD1 3.27Å
59	N	78.9	Confident	65.6	Low	38 Å²	38	94.8 Å²	94.8	20%	0.203	54%	0.537	C	S	.	.			trans	-140	113	-177.6	172.3	40.8	0	0	0	108.9	R61 N107 D108	N59-R61 VanDerWaalsContact ND2-CZ 3.33Å; N59-R61 PolarHBondContact ND2-NE 3.41Å; N59-R61 PolarHBondContact OD1-NE 2.83Å; N59-N107 PolarHBondContact N-OD1 2.82Å; N59-N107 PolarHBondContact O-N 3.32Å; N59-D108 PolarHBondContact ND2-OD1 3.38Å; N59-D108 PolarHBondContact ND2-OD2 2.84Å
60	F	81.8	Confident	67.7	Low	5 Å²	5	86.9 Å²	86.9	2%	0.022	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.3	175.9	-63.3	-89.3	0	0	0	109.7	I38 A39 L44 A58 V73 P75 V104 A106	I38-F60 HydrophobicContact CB-CE1 4.46Å; I38-F60 HydrophobicContact CG2-CD1 4.2Å; I38-F60 HydrophobicContact CG2-CE1 3.98Å; A39-F60 HydrophobicContact CB-CE1 4.35Å; A39-F60 HydrophobicContact CB-CE2 3.96Å; A39-F60 HydrophobicContact CB-CZ 3.45Å; A39-F60 VanDerWaalsContact CB-CZ 3.45Å; L44-F60 HydrophobicContact CD1-CE1 3.61Å; L44-F60 HydrophobicContact CD1-CZ 3.94Å; A58-F60 HydrophobicContact CB-CD2 4.47Å; A58-F60 HydrophobicContact CB-CE2 3.75Å; A58-F60 HydrophobicContact CB-CZ 4.48Å; F60-V73 HydrophobicContact CB-CG1 4.11Å; F60-P75 PolarHBondContact N-O 2.89Å; F60-P75 WeakPolarHBondContact O-CA 3.42Å; F60-P75 VanDerWaalsContact O-CB 3.26Å; F60-P75 WeakPolarHBondContact O-CB 3.41Å; F60-V104 HydrophobicContact CB-CG1 4.17Å; F60-V104 HydrophobicContact CD1-CG1 4.22Å; F60-A106 HydrophobicContact CD1-CB 3.76Å; F60-A106 HydrophobicContact CE1-CB 3.63Å
61	R	81.3	Confident	70.3	Confident	133 Å²	133	84.1 Å²	84.1	50%	0.502	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.3	-178.8	-67.7	174.3	173.3	168.7	-13.1	109.5	N59 L63 V104 F105 D108	N59-R61 VanDerWaalsContact ND2-CZ 3.33Å; N59-R61 PolarHBondContact ND2-NE 3.41Å; N59-R61 PolarHBondContact OD1-NE 2.83Å; R61-L63 PolarHBondContact O-N 3.22Å; R61-V104 CarbonylContact O-C 3.58Å; R61-V104 WeakPolarHBondContact O-CA 3.26Å; R61-F105 PolarHBondContact N-O 2.75Å; R61-F105 PolarHBondContact O-N 3.13Å; R61-D108 IonicContact CZ-OD1 3.93Å; R61-D108 IonicContact NH1-OD1 2.74Å; R61-D108 PolarHBondContact NH1-OD1 2.92Å; R61-D108 IonicContact NH1-OD2 3.1Å
62	V	84.1	Confident	72.5	Confident	52 Å²	52	76 Å²	76	32%	0.315	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	126.6	170.3	-176	0	0	0	0	108.4	N65 V73 M102 E103 V104	V62-N65 HydrophobicContact CG1-CB 3.92Å; V62-V73 HydrophobicContact CG2-CB 4.21Å; V62-V73 HydrophobicContact CG2-CG2 4.4Å; V62-M102 HydrophobicContact CG1-CG 3.85Å; V62-M102 HydrophobicContact CG1-SD 4.32Å; V62-M102 HydrophobicContact CG2-SD 4.08Å; V62-E103 WeakPolarHBondContact CA-O 3.28Å; V62-V104 HydrophobicContact CG2-CG2 4.34Å
63	L	83.6	Confident	74.7	Confident	96 Å²	96	72.1 Å²	72.1	50%	0.503	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-50	175.1	-63.3	-179.8	0	0	0	110.5	R61 E103 F105 I111	R61-L63 PolarHBondContact O-N 3.22Å; L63-E103 HydrophobicContact CB-CB 4.14Å; L63-E103 PolarHBondContact N-O 3.12Å; L63-F105 HydrophobicContact CD1-CB 3.99Å; L63-F105 HydrophobicContact CD2-CB 3.93Å; L63-F105 HydrophobicContact CG-CB 3.88Å; L63-I111 HydrophobicContact CD1-CD1 4.5Å; L63-I111 HydrophobicContact CD1-CG1 4.45Å
64	E	85.2	Confident	77.1	Confident	134 Å²	134	71.4 Å²	71.4	63%	0.626	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.3	-179.8	-170.8	166.3	158.6	0	0	109.5	M102 E103	E64-M102 CarbonylContact O-C 3.59Å; E64-M102 WeakPolarHBondContact O-CA 3.31Å; E64-M102 WeakPolarHBondContact O-CG 3.46Å; E64-E103 HydrophobicContact CB-CB 4.37Å; E64-E103 HydrophobicContact CB-CG 4.43Å; E64-E103 PolarHBondContact O-N 2.92Å
65	N	85.6	Confident	78.9	Confident	28 Å²	28	64.8 Å²	64.8	15%	0.15	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	124.8	179.2	-177.2	-4.3	0	0	0	109.3	V62 A67 P68 I71 M102	V62-N65 HydrophobicContact CG1-CB 3.92Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3Å; N65-A67 PolarHBondContact OD1-N 2.88Å; N65-P68 WeakPolarHBondContact ND2-CA 3.23Å; N65-I71 PolarHBondContact ND2-O 3.05Å; N65-M102 HydrophobicContact CB-CE 4.48Å; N65-M102 HydrophobicContact CB-CG 4.18Å; N65-M102 VanDerWaalsContact ND2-CE 3.26Å; N65-M102 WeakPolarHBondContact ND2-CE 3.29Å
66	S	84.7	Confident	80.6	Confident	64 Å²	64	66.7 Å²	66.7	45%	0.448	33%	0.334	S	S	.	.	S	Bend	trans	-65.4	-26.1	176	52.7	0	0	0	0	113.8	S101	S66-S101 WeakPolarHBondContact CB-O 3.38Å; S66-S101 PolarHBondContact N-O 2.76Å; S66-S101 PolarHBondContact OG-N 2.78Å; S66-S101 PolarHBondContact OG-O 3.5Å
67	A	83.8	Confident	81.7	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.017	30%	0.303	C	S	.	.			trans	-139.1	68.6	-177.7	0	0	0	0	0	112.8	N65 H69 L70 I71 L100	N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3Å; N65-A67 PolarHBondContact OD1-N 2.88Å; A67-H69 PolarHBondContact O-N 3.34Å; A67-L70 HydrophobicContact CB-CB 4.08Å; A67-L70 HydrophobicContact CB-CD1 4.02Å; A67-L70 HydrophobicContact CB-CG 4.16Å; A67-L70 PolarHBondContact O-N 3.23Å; A67-I71 HydrophobicContact CB-CG1 4.36Å; A67-I71 WeakPolarHBondContact O-CG1 3.21Å; A67-I71 PolarHBondContact O-N 3.02Å; A67-L100 HydrophobicContact CB-CD1 4Å; A67-L100 HydrophobicContact CB-CD2 3.92Å; A67-L100 HydrophobicContact CB-CG 4.5Å
68	P	83.4	Confident	82.8	Confident	76 Å²	76	50.7 Å²	50.7	49%	0.494	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.6	-174	28.5	-36.2	0	0	0	115.3	N65 K83	N65-P68 WeakPolarHBondContact ND2-CA 3.23Å; P68-K83 WeakPolarHBondContact O-CD 3.19Å; P68-K83 PolarHBondContact O-NZ 2.84Å; P68-K83 VanDerWaalsContact O-NZ 3.17Å
69	H	85.8	Confident	83.8	Confident	101 Å²	101	52.8 Å²	52.8	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-21.9	174.5	57.3	-80	0	0	0	113.2	A67 K83 Q84	A67-H69 PolarHBondContact O-N 3.34Å; H69-K83 VanDerWaalsContact O-CB 3.24Å; H69-K83 WeakPolarHBondContact O-CB 3.37Å; H69-Q84 WeakPolarHBondContact O-CG 3.3Å; H69-Q84 PolarHBondContact O-OE1 3.41Å
70	L	85.8	Confident	84.2	Confident	11 Å²	11	51 Å²	51	6%	0.058	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-33.6	-175.9	-59.1	-176.1	0	0	0	113.8	A67 T82 K83 Q84 I86 L91	A67-L70 HydrophobicContact CB-CB 4.08Å; A67-L70 HydrophobicContact CB-CD1 4.02Å; A67-L70 HydrophobicContact CB-CG 4.16Å; A67-L70 PolarHBondContact O-N 3.23Å; L70-T82 CarbonylContact O-C 3.55Å; L70-T82 WeakPolarHBondContact O-CA 3.49Å; L70-K83 PolarHBondContact O-N 2.94Å; L70-Q84 HydrophobicContact CD2-CB 4.11Å; L70-I86 HydrophobicContact CB-CG1 4.32Å; L70-L91 HydrophobicContact CD1-CD1 3.59Å; L70-L91 HydrophobicContact CD1-CD2 3.9Å; L70-L91 HydrophobicContact CD1-CG 4.09Å
71	I	88.8	Confident	84.5	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.6	-172.5	49.9	167.1	0	0	0	111.7	I35 N65 A67 Y81 I86 L100 M102 I116	I35-I71 HydrophobicContact CD1-CG2 3.86Å; N65-I71 PolarHBondContact ND2-O 3.05Å; A67-I71 HydrophobicContact CB-CG1 4.36Å; A67-I71 WeakPolarHBondContact O-CG1 3.21Å; A67-I71 PolarHBondContact O-N 3.02Å; I71-Y81 WeakPolarHBondContact CA-O 3.41Å; I71-I86 HydrophobicContact CG2-CD1 4.03Å; I71-L100 HydrophobicContact CD1-CB 3.96Å; I71-L100 HydrophobicContact CD1-CD1 3.83Å; I71-L100 HydrophobicContact CG1-CD1 4.27Å; I71-L100 HydrophobicContact CG2-CD1 4.45Å; I71-M102 HydrophobicContact CB-CE 4.42Å; I71-M102 HydrophobicContact CD1-CE 4Å; I71-M102 HydrophobicContact CG1-CE 4.11Å; I71-I116 HydrophobicContact CD1-CD1 3.38Å
72	D	88.2	Confident	84.9	Confident	37 Å²	37	47.7 Å²	47.7	20%	0.198	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	172.4	174.9	-154.6	1.2	0	0	0	112.3	Y81 K83	D72-Y81 HydrophobicContact CB-CE1 4.14Å; D72-Y81 PolarHBondContact N-O 2.62Å; D72-Y81 WeakPolarHBondContact O-CD1 3.34Å; D72-Y81 PolarHBondContact O-N 3.42Å; D72-K83 HydrophobicContact CB-CD 3.92Å; D72-K83 VanDerWaalsContact CB-CE 3.41Å; D72-K83 HydrophobicContact CB-CG 4.11Å; D72-K83 VanDerWaalsContact CG-NZ 3.26Å; D72-K83 WeakPolarHBondContact OD2-CE 3.5Å; D72-K83 IonicContact OD2-NZ 3.63Å; D72-K83 PolarHBondContact OD2-NZ 3.14Å
73	V	87.1	Confident	85.1	Confident	7 Å²	7	49 Å²	49	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131	179.6	176.3	0	0	0	0	110	I38 F60 V62 P75 L79 L80 M102 V104	I38-V73 HydrophobicContact CD1-CB 4.23Å; I38-V73 HydrophobicContact CD1-CG1 3.67Å; I38-V73 HydrophobicContact CD1-CG2 3.42Å; I38-V73 VanDerWaalsContact CD1-CG2 3.42Å; F60-V73 HydrophobicContact CB-CG1 4.11Å; V62-V73 HydrophobicContact CG2-CB 4.21Å; V62-V73 HydrophobicContact CG2-CG2 4.4Å; V73-P75 VanDerWaalsContact O-CD 3.32Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å; V73-L79 CarbonylContact C-O 3.47Å; V73-L79 WeakPolarHBondContact CA-O 3.22Å; V73-L80 HydrophobicContact CG2-CB 4.29Å; V73-L80 HydrophobicContact CG2-CD1 3.66Å; V73-M102 HydrophobicContact CG2-CE 4.25Å; V73-M102 HydrophobicContact CG2-SD 3.61Å; V73-V104 HydrophobicContact CG2-CG2 4.17Å
74	D	85.6	Confident	85.3	Confident	51 Å²	51	49.3 Å²	49.3	27%	0.273	26%	0.257	S	S	.	.			trans	-67.5	118.7	171.9	167	46.2	0	0	0	110	Q76 S77 G78 L79 Y81	D74-Q76 PolarHBondContact O-N 3.42Å; D74-Q76 PolarHBondContact OD1-N 2.84Å; D74-S77 PolarHBondContact O-N 2.93Å; D74-S77 WeakPolarHBondContact OD2-CB 3.43Å; D74-S77 PolarHBondContact OD2-N 2.82Å; D74-S77 PolarHBondContact OD2-OG 2.91Å; D74-G78 PolarHBondContact O-N 3.47Å; D74-L79 PolarHBondContact N-O 2.99Å; D74-Y81 HydrophobicContact CB-CE1 4.45Å
75	P	80.9	Confident	85.4	Confident	67 Å²	67	49.6 Å²	49.6	44%	0.435	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.7	-173.1	25	-36.1	0	0	0	114.9	F60 V73	F60-P75 PolarHBondContact N-O 2.89Å; F60-P75 WeakPolarHBondContact O-CA 3.42Å; F60-P75 VanDerWaalsContact O-CB 3.26Å; F60-P75 WeakPolarHBondContact O-CB 3.41Å; V73-P75 VanDerWaalsContact O-CD 3.32Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å
76	Q	78.9	Confident	85.5	Confident	112 Å²	112	48.3 Å²	48.3	52%	0.523	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-36.7	-179.6	-73.4	-177.5	86.7	0	0	114.5	D74	D74-Q76 PolarHBondContact O-N 3.42Å; D74-Q76 PolarHBondContact OD1-N 2.84Å
77	S	77.9	Confident	85.7	Confident	36 Å²	36	48 Å²	48	25%	0.252	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-16.5	-178.8	66.9	0	0	0	0	114.9	N37 D74 L79	N37-S77 PolarHBondContact ND2-O 2.82Å; N37-S77 VanDerWaalsContact ND2-O 3.13Å; D74-S77 PolarHBondContact O-N 2.93Å; D74-S77 WeakPolarHBondContact OD2-CB 3.43Å; D74-S77 PolarHBondContact OD2-N 2.82Å; D74-S77 PolarHBondContact OD2-OG 2.91Å; S77-L79 PolarHBondContact O-N 3.34Å; S77-L79 WeakPolarHBondContact OG-CB 3.4Å; S77-L79 WeakPolarHBondContact OG-CD1 3.26Å; S77-L79 VanDerWaalsContact OG-CG 3.3Å; S77-L79 WeakPolarHBondContact OG-CG 3.42Å; S77-L79 PolarHBondContact OG-N 3.19Å
78	G	80.7	Confident	86	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.			trans	67.5	19.4	-172.8	0	0	0	0	0	113.6	I38 D74	I38-G78 WeakPolarHBondContact CB-O 3.45Å; I38-G78 PolarHBondContact N-O 3.4Å; D74-G78 PolarHBondContact O-N 3.47Å
79	L	87.1	Confident	86.2	Confident	58 Å²	58	45.6 Å²	45.6	30%	0.304	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.3	169.9	-70.2	168.6	0	0	0	109.7	V34 N37 V73 D74 S77	V34-L79 HydrophobicContact CG1-CD2 3.75Å; N37-L79 HydrophobicContact CB-CD2 3.97Å; N37-L79 WeakPolarHBondContact ND2-CD2 3.29Å; V73-L79 CarbonylContact C-O 3.47Å; V73-L79 WeakPolarHBondContact CA-O 3.22Å; D74-L79 PolarHBondContact N-O 2.99Å; S77-L79 PolarHBondContact O-N 3.34Å; S77-L79 WeakPolarHBondContact OG-CB 3.4Å; S77-L79 WeakPolarHBondContact OG-CD1 3.26Å; S77-L79 VanDerWaalsContact OG-CG 3.3Å; S77-L79 WeakPolarHBondContact OG-CG 3.42Å; S77-L79 PolarHBondContact OG-N 3.19Å
80	L	88.4	Confident	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.4	169	175.5	70.6	0	0	0	108.3	Y23 I35 G36 I38 V73 M102 I114 I116	Y23-L80 HydrophobicContact CD2-CD2 3.61Å; Y23-L80 HydrophobicContact CE2-CD2 4.13Å; Y23-L80 HydrophobicContact CG-CD2 4.27Å; I35-L80 HydrophobicContact CB-CB 4.43Å; I35-L80 HydrophobicContact CB-CD2 3.83Å; I35-L80 HydrophobicContact CB-CG 3.93Å; I35-L80 HydrophobicContact CD1-CD2 4.4Å; I35-L80 HydrophobicContact CD1-CG 4.24Å; I35-L80 HydrophobicContact CG1-CG 4.5Å; I35-L80 HydrophobicContact CG2-CD2 3.68Å; I35-L80 HydrophobicContact CG2-CG 4.34Å; I35-L80 PolarHBondContact N-O 2.72Å; G36-L80 PolarHBondContact O-N 2.98Å; I38-L80 HydrophobicContact CD1-CB 4.15Å; V73-L80 HydrophobicContact CG2-CB 4.29Å; V73-L80 HydrophobicContact CG2-CD1 3.66Å; L80-M102 HydrophobicContact CD1-CE 3.94Å; L80-M102 HydrophobicContact CD1-SD 4.1Å; L80-I114 HydrophobicContact CD2-CG2 4.31Å; L80-I116 HydrophobicContact CD1-CD1 4.08Å; L80-I116 HydrophobicContact CD2-CD1 3.7Å; L80-I116 HydrophobicContact CD2-CG1 3.93Å; L80-I116 HydrophobicContact CG-CD1 4.4Å
81	Y	88.7	Confident	86.2	Confident	69 Å²	69	48.6 Å²	48.6	27%	0.271	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.3	-174.9	70	-79.8	0	0	0	113.4	T33 I71 D72 D74 K83	T33-Y81 CarbonylContact O-C 3.58Å; T33-Y81 WeakPolarHBondContact O-CA 3.22Å; I71-Y81 WeakPolarHBondContact CA-O 3.41Å; D72-Y81 HydrophobicContact CB-CE1 4.14Å; D72-Y81 PolarHBondContact N-O 2.62Å; D72-Y81 WeakPolarHBondContact O-CD1 3.34Å; D72-Y81 PolarHBondContact O-N 3.42Å; D74-Y81 HydrophobicContact CB-CE1 4.45Å; Y81-K83 HydrophobicContact CE2-CG 4.35Å
82	T	89.3	Confident	86	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133	174.5	55.6	0	0	0	0	111.5	G30 G32 T33 I35 L70 I86	G30-T82 PolarHBondContact O-OG1 3.42Å; G32-T82 PolarHBondContact N-O 3.13Å; G32-T82 PolarHBondContact N-OG1 2.95Å; T33-T82 PolarHBondContact N-OG1 2.86Å; T33-T82 PolarHBondContact O-N 2.85Å; T33-T82 PolarHBondContact O-OG1 2.75Å; I35-T82 HydrophobicContact CD1-CG2 4.1Å; I35-T82 HydrophobicContact CG1-CG2 4.35Å; L70-T82 CarbonylContact O-C 3.55Å; L70-T82 WeakPolarHBondContact O-CA 3.49Å; T82-I86 HydrophobicContact CG2-CD1 3.98Å; T82-I86 HydrophobicContact CG2-CG1 4.5Å
83	K	86.7	Confident	85.7	Confident	80 Å²	80	55.4 Å²	55.4	35%	0.348	27%	0.274	S	S	.	.	S	Bend	trans	-89.8	-30.7	170.9	-90	179.1	170.6	155.9	0	113.2	P31 P68 H69 L70 D72 Y81	P31-K83 WeakPolarHBondContact CB-O 3.03Å; P68-K83 WeakPolarHBondContact O-CD 3.19Å; P68-K83 PolarHBondContact O-NZ 2.84Å; P68-K83 VanDerWaalsContact O-NZ 3.17Å; H69-K83 VanDerWaalsContact O-CB 3.24Å; H69-K83 WeakPolarHBondContact O-CB 3.37Å; L70-K83 PolarHBondContact O-N 2.94Å; D72-K83 HydrophobicContact CB-CD 3.92Å; D72-K83 VanDerWaalsContact CB-CE 3.41Å; D72-K83 HydrophobicContact CB-CG 4.11Å; D72-K83 VanDerWaalsContact CG-NZ 3.26Å; D72-K83 WeakPolarHBondContact OD2-CE 3.5Å; D72-K83 IonicContact OD2-NZ 3.63Å; D72-K83 PolarHBondContact OD2-NZ 3.14Å; Y81-K83 HydrophobicContact CE2-CG 4.35Å
84	Q	88.3	Confident	85	Confident	102 Å²	102	60.6 Å²	60.6	48%	0.477	29%	0.293	S	S	.	.	S	Bend	trans	-140.6	168.2	-178	-70.7	-177.1	-16.4	0	0	108.8	H69 L70	H69-Q84 WeakPolarHBondContact O-CG 3.3Å; H69-Q84 PolarHBondContact O-OE1 3.41Å; L70-Q84 HydrophobicContact CD2-CB 4.11Å
85	R	88.3	Confident	84.7	Confident	139 Å²	139	62.2 Å²	62.2	53%	0.525	30%	0.301	S	S	.	.			trans	-64.3	133.5	169.3	-164.6	174.4	-179.4	-111.5	4.8	108.7	E28 Q29	E28-R85 PolarHBondContact O-NE 2.67Å; E28-R85 IonicContact OE1-CZ 3.7Å; E28-R85 IonicContact OE1-NE 3.42Å; E28-R85 IonicContact OE1-NH1 2.89Å; E28-R85 PolarHBondContact OE1-NH1 3.22Å; E28-R85 IonicContact OE1-NH2 2.67Å; E28-R85 PolarHBondContact OE1-NH2 3.17Å; E28-R85 VanDerWaalsContact OE2-CG 3.28Å; E28-R85 WeakPolarHBondContact OE2-CG 3.41Å; E28-R85 IonicContact OE2-CZ 2.77Å; E28-R85 IonicContact OE2-NE 2.62Å; E28-R85 PolarHBondContact OE2-NE 3.44Å; E28-R85 VanDerWaalsContact OE2-NE 3.13Å; E28-R85 IonicContact OE2-NH1 2.72Å; E28-R85 PolarHBondContact OE2-NH1 2.96Å; E28-R85 IonicContact OE2-NH2 2.87Å; E28-R85 PolarHBondContact OE2-NH2 3.04Å; Q29-R85 WeakPolarHBondContact O-CA 3.34Å
86	I	88.1	Confident	84.4	Confident	1 Å²	1	64 Å²	64	1%	0.005	31%	0.313	C	S	.	.			trans	-100.2	115	-179.5	-58.9	-178.5	0	0	0	107.4	V25 E27 E28 L70 I71 T82 L91 I118	V25-I86 HydrophobicContact CG1-CD1 4.42Å; E27-I86 WeakPolarHBondContact CB-O 3.25Å; E28-I86 WeakPolarHBondContact CA-O 3.15Å; E28-I86 PolarHBondContact N-O 3.49Å; L70-I86 HydrophobicContact CB-CG1 4.32Å; I71-I86 HydrophobicContact CG2-CD1 4.03Å; T82-I86 HydrophobicContact CG2-CD1 3.98Å; T82-I86 HydrophobicContact CG2-CG1 4.5Å; I86-L91 HydrophobicContact CG2-CD1 3.75Å; I86-I118 HydrophobicContact CD1-CD1 4.23Å; I86-I118 HydrophobicContact CG2-CD1 4.19Å; I86-I118 HydrophobicContact CG2-CG1 4.44Å; I86-I118 HydrophobicContact CG2-CG2 4.06Å
87	D	88.9	Confident	84.5	Confident	57 Å²	57	66 Å²	66	31%	0.305	32%	0.32	S	S	.	.			trans	-107	116	173.8	151.1	-3.3	0	0	0	106.5	E89 T90 L91	D87-E89 PolarHBondContact OD1-N 2.67Å; D87-T90 VanDerWaalsContact CG-CB 3.44Å; D87-T90 VanDerWaalsContact CG-OG1 3.25Å; D87-T90 WeakPolarHBondContact OD1-CB 3.36Å; D87-T90 PolarHBondContact OD1-N 2.99Å; D87-T90 PolarHBondContact OD1-OG1 2.84Å; D87-T90 VanDerWaalsContact OD1-OG1 3.13Å; D87-T90 VanDerWaalsContact OD2-CB 3.25Å; D87-T90 WeakPolarHBondContact OD2-CB 3.15Å; D87-T90 PolarHBondContact OD2-OG1 3.4Å; D87-L91 WeakPolarHBondContact O-CB 3.48Å; D87-L91 WeakPolarHBondContact O-CD1 3.11Å; D87-L91 WeakPolarHBondContact O-CG 3.46Å; D87-L91 PolarHBondContact O-N 3.36Å
88	R	88.9	Confident	85	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-82.3	-29.4	-172.3	-172.7	-153	65.8	81.2	2.8	111.4	E27 L91 C92 K93 C98 I118 D120 P155	E27-R88 HydrophobicContact CB-CB 4.39Å; E27-R88 WeakPolarHBondContact OE1-CB 3.33Å; E27-R88 VanDerWaalsContact OE1-CD 3.27Å; E27-R88 WeakPolarHBondContact OE1-CD 3.41Å; E27-R88 IonicContact OE1-NE 3.3Å; E27-R88 PolarHBondContact OE1-NE 3.31Å; E27-R88 WeakPolarHBondContact OE2-CB 3.48Å; E27-R88 PolarHBondContact OE2-N 3.5Å; R88-L91 PolarHBondContact O-N 3.38Å; R88-C92 HydrophobicContact CG-CB 4.4Å; R88-C92 WeakPolarHBondContact O-CA 3.44Å; R88-C92 WeakPolarHBondContact O-CB 3.45Å; R88-C92 PolarHBondContact O-N 3.47Å; R88-K93 PolarHBondContact NH1-O 2.78Å; R88-K93 PolarHBondContact O-N 3.26Å; R88-C98 HydrophobicContact CG-CB 3.84Å; R88-I118 HydrophobicContact CB-CG2 4.05Å; R88-I118 HydrophobicContact CG-CG2 3.96Å; R88-D120 IonicContact CZ-OD1 2.7Å; R88-D120 IonicContact NE-OD1 3.73Å; R88-D120 PolarHBondContact NE-OD1 3.39Å; R88-D120 IonicContact NH1-OD1 3.91Å; R88-D120 IonicContact NH2-OD1 2.78Å; R88-D120 PolarHBondContact NH2-OD1 2.93Å; R88-D120 VanDerWaalsContact NH2-OD1 3.11Å; R88-P155 PolarHBondContact NH2-O 2.82Å
89	E	88.6	Confident	85.4	Confident	25 Å²	25	69 Å²	69	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-42.3	179.5	-67.6	57.9	-119.5	0	0	110.1	D87 K93 P155	D87-E89 PolarHBondContact OD1-N 2.67Å; E89-K93 WeakPolarHBondContact O-CA 3.42Å; E89-K93 WeakPolarHBondContact O-CG 3.45Å; E89-K93 PolarHBondContact O-N 3.46Å; E89-P155 HydrophobicContact CB-CB 4.31Å; E89-P155 HydrophobicContact CG-CB 3.5Å; E89-P155 VanDerWaalsContact CG-CB 3.5Å
90	T	86.6	Confident	85.4	Confident	106 Å²	106	66.8 Å²	66.8	65%	0.65	32%	0.319	S	S	*	.	H	α-helix	trans	-69.5	-42	174	-67.7	0	0	0	0	111.6	D87	D87-T90 VanDerWaalsContact CG-CB 3.44Å; D87-T90 VanDerWaalsContact CG-OG1 3.25Å; D87-T90 WeakPolarHBondContact OD1-CB 3.36Å; D87-T90 PolarHBondContact OD1-N 2.99Å; D87-T90 PolarHBondContact OD1-OG1 2.84Å; D87-T90 VanDerWaalsContact OD1-OG1 3.13Å; D87-T90 VanDerWaalsContact OD2-CB 3.25Å; D87-T90 WeakPolarHBondContact OD2-CB 3.15Å; D87-T90 PolarHBondContact OD2-OG1 3.4Å
91	L	84.9	Confident	85.4	Confident	69 Å²	69	69.9 Å²	69.9	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-52.9	-179.7	-93.5	168.7	0	0	0	113.8	L70 I86 D87 R88	L70-L91 HydrophobicContact CD1-CD1 3.59Å; L70-L91 HydrophobicContact CD1-CD2 3.9Å; L70-L91 HydrophobicContact CD1-CG 4.09Å; I86-L91 HydrophobicContact CG2-CD1 3.75Å; D87-L91 WeakPolarHBondContact O-CB 3.48Å; D87-L91 WeakPolarHBondContact O-CD1 3.11Å; D87-L91 WeakPolarHBondContact O-CG 3.46Å; D87-L91 PolarHBondContact O-N 3.36Å; R88-L91 PolarHBondContact O-N 3.38Å
92	C	83.9	Confident	85.3	Confident	28 Å²	28	66.8 Å²	66.8	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-122.5	-16.5	-162.1	-71.5	0	0	0	0	112.6	R88 N95 C98	R88-C92 HydrophobicContact CG-CB 4.4Å; R88-C92 WeakPolarHBondContact O-CA 3.44Å; R88-C92 WeakPolarHBondContact O-CB 3.45Å; R88-C92 PolarHBondContact O-N 3.47Å; C92-N95 WeakPolarHBondContact O-CB 3.45Å; C92-N95 PolarHBondContact O-N 3.13Å; C92-C98 HydrophobicContact CB-CB 3.58Å; C92-C98 WeakPolarHBondContact CB-SG 3.42Å; C92-C98 WeakPolarHBondContact SG-CA 3.24Å; C92-C98 WeakPolarHBondContact SG-CB 3.41Å; C92-C98 CovalentContact SG-SG 2.04Å; C92-C98 PolarHBondContact SG-SG 2.75Å
93	K	81.7	Confident	85.2	Confident	151 Å²	151	69.7 Å²	69.7	66%	0.657	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-144.2	-175.4	-54.7	177.3	-178.7	-174.3	0	109.6	R88 E89 N95	R88-K93 PolarHBondContact NH1-O 2.78Å; R88-K93 PolarHBondContact O-N 3.26Å; E89-K93 WeakPolarHBondContact O-CA 3.42Å; E89-K93 WeakPolarHBondContact O-CG 3.45Å; E89-K93 PolarHBondContact O-N 3.46Å; K93-N95 PolarHBondContact O-N 2.73Å
94	R	72.5	Confident	85.2	Confident	116 Å²	116	65.9 Å²	65.9	44%	0.438	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	17.8	177.1	-66.5	177.1	167.9	-179.8	-5.1	115.3	P96 H153 D154	R94-P96 VanDerWaalsContact O-CD 3.3Å; R94-P96 WeakPolarHBondContact O-CD 3.27Å; R94-H153 PolarHBondContact NH2-CD2 3.47Å; R94-H153 PolarHBondContact NH2-CE1 2.64Å; R94-H153 PolarHBondContact NH2-ND1 3.23Å; R94-H153 PolarHBondContact NH2-NE2 3.27Å; R94-D154 PolarHBondContact NE-O 2.75Å; R94-D154 VanDerWaalsContact NH2-N 3.13Å; R94-D154 PolarHBondContact NH2-O 2.87Å
95	N	79.7	Confident	85	Confident	85 Å²	85	63.1 Å²	63.1	46%	0.455	31%	0.312	S	S	.	.			trans	-75.2	115.9	174.4	-179.7	3.9	0	0	0	109.9	C92 K93 K97	C92-N95 WeakPolarHBondContact O-CB 3.45Å; C92-N95 PolarHBondContact O-N 3.13Å; K93-N95 PolarHBondContact O-N 2.73Å; N95-K97 PolarHBondContact ND2-O 2.91Å; N95-K97 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact OD1-N 2.95Å
96	P	73.9	Confident	84.6	Confident	105 Å²	105	56.5 Å²	56.5	68%	0.682	29%	0.287	S	S	*	.	S	Bend	trans	-72.3	8.1	-176.3	32.3	-38.4	0	0	0	114.3	R94	R94-P96 VanDerWaalsContact O-CD 3.3Å; R94-P96 WeakPolarHBondContact O-CD 3.27Å
97	K	81.8	Confident	83.9	Confident	154 Å²	154	59 Å²	59	67%	0.67	30%	0.301	S	S	*	.			trans	-133.2	86.5	171.9	-68.2	-174	179.1	178.5	0	110.1	N95 Q99	N95-K97 PolarHBondContact ND2-O 2.91Å; N95-K97 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact OD1-N 2.95Å; K97-Q99 PolarHBondContact O-N 2.91Å
98	C	88	Confident	83	Confident	5 Å²	5	60 Å²	60	3%	0.034	31%	0.306	C	S	.	.			trans	-91.9	96.8	173.8	-164.8	0	0	0	0	109.9	R88 C92 I118	R88-C98 HydrophobicContact CG-CB 3.84Å; C92-C98 HydrophobicContact CB-CB 3.58Å; C92-C98 WeakPolarHBondContact CB-SG 3.42Å; C92-C98 WeakPolarHBondContact SG-CA 3.24Å; C92-C98 WeakPolarHBondContact SG-CB 3.41Å; C92-C98 CovalentContact SG-SG 2.04Å; C92-C98 PolarHBondContact SG-SG 2.75Å; C98-I118 HydrophobicContact CB-CB 4.09Å; C98-I118 PolarHBondContact O-N 2.82Å
99	Q	88.4	Confident	82	Confident	94 Å²	94	65.7 Å²	65.7	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.4	-176.7	-74.1	-173.4	-1	0	0	111.9	K97 I116 D117	K97-Q99 PolarHBondContact O-N 2.91Å; Q99-I116 WeakPolarHBondContact CA-O 3.41Å; Q99-D117 WeakPolarHBondContact CG-OD1 3.12Å; Q99-D117 PolarHBondContact NE2-OD1 3.5Å
100	L	87.6	Confident	81.5	Confident	12 Å²	12	66 Å²	66	6%	0.063	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.2	168.5	-55.4	-178.9	0	0	0	109.3	A67 I71 K115 I116 I118	A67-L100 HydrophobicContact CB-CD1 4Å; A67-L100 HydrophobicContact CB-CD2 3.92Å; A67-L100 HydrophobicContact CB-CG 4.5Å; I71-L100 HydrophobicContact CD1-CB 3.96Å; I71-L100 HydrophobicContact CD1-CD1 3.83Å; I71-L100 HydrophobicContact CG1-CD1 4.27Å; I71-L100 HydrophobicContact CG2-CD1 4.45Å; L100-K115 WeakPolarHBondContact O-CA 3.49Å; L100-I116 HydrophobicContact CB-CB 4.38Å; L100-I116 PolarHBondContact N-O 3.18Å; L100-I116 PolarHBondContact O-N 2.99Å; L100-I118 HydrophobicContact CD1-CD1 3.94Å; L100-I118 HydrophobicContact CD1-CG1 4.37Å; L100-I118 HydrophobicContact CG-CD1 4.2Å; L100-I118 HydrophobicContact CG-CG1 4.2Å
101	S	88.1	Confident	81.2	Confident	64 Å²	64	62.9 Å²	62.9	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.2	173.1	56.7	0	0	0	0	112	S66 I114	S66-S101 WeakPolarHBondContact CB-O 3.38Å; S66-S101 PolarHBondContact N-O 2.76Å; S66-S101 PolarHBondContact OG-N 2.78Å; S66-S101 PolarHBondContact OG-O 3.5Å; S101-I114 WeakPolarHBondContact CA-O 3.44Å
102	M	88.1	Confident	81	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	139.1	176.2	179.4	-164.3	-79.3	0	0	109.7	V62 E64 N65 I71 V73 L80 V104 I114	V62-M102 HydrophobicContact CG1-CG 3.85Å; V62-M102 HydrophobicContact CG1-SD 4.32Å; V62-M102 HydrophobicContact CG2-SD 4.08Å; E64-M102 CarbonylContact O-C 3.59Å; E64-M102 WeakPolarHBondContact O-CA 3.31Å; E64-M102 WeakPolarHBondContact O-CG 3.46Å; N65-M102 HydrophobicContact CB-CE 4.48Å; N65-M102 HydrophobicContact CB-CG 4.18Å; N65-M102 VanDerWaalsContact ND2-CE 3.26Å; N65-M102 WeakPolarHBondContact ND2-CE 3.29Å; I71-M102 HydrophobicContact CB-CE 4.42Å; I71-M102 HydrophobicContact CD1-CE 4Å; I71-M102 HydrophobicContact CG1-CE 4.11Å; V73-M102 HydrophobicContact CG2-CE 4.25Å; V73-M102 HydrophobicContact CG2-SD 3.61Å; L80-M102 HydrophobicContact CD1-CE 3.94Å; L80-M102 HydrophobicContact CD1-SD 4.1Å; M102-V104 HydrophobicContact CG-CG2 3.86Å; M102-V104 HydrophobicContact SD-CG2 3.55Å; M102-V104 VanDerWaalsContact SD-CG2 3.55Å; M102-I114 HydrophobicContact CB-CB 4.38Å; M102-I114 PolarHBondContact N-O 2.79Å; M102-I114 WeakPolarHBondContact O-CA 3.41Å; M102-I114 WeakPolarHBondContact O-CB 3.38Å; M102-I114 PolarHBondContact O-N 2.84Å; M102-I114 HydrophobicContact SD-CD1 4.32Å
103	E	87.2	Confident	81	Confident	62 Å²	62	60.9 Å²	60.9	29%	0.29	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	171.6	-61.3	-162.1	-175	0	0	110.1	V62 L63 E64 M113	V62-E103 WeakPolarHBondContact CA-O 3.28Å; L63-E103 HydrophobicContact CB-CB 4.14Å; L63-E103 PolarHBondContact N-O 3.12Å; E64-E103 HydrophobicContact CB-CB 4.37Å; E64-E103 HydrophobicContact CB-CG 4.43Å; E64-E103 PolarHBondContact O-N 2.92Å; E103-M113 VanDerWaalsContact CD-SD 3.57Å; E103-M113 HydrophobicContact CG-CE 3.79Å; E103-M113 HydrophobicContact CG-SD 3.7Å; E103-M113 VanDerWaalsContact OE1-CE 3.29Å; E103-M113 WeakPolarHBondContact OE1-CE 3.03Å
104	V	85	Confident	81.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.5	-178	-175.3	0	0	0	0	110.6	I38 F60 R61 V62 V73 M102 C112 I114	I38-V104 HydrophobicContact CD1-CG2 4.45Å; F60-V104 HydrophobicContact CB-CG1 4.17Å; F60-V104 HydrophobicContact CD1-CG1 4.22Å; R61-V104 CarbonylContact O-C 3.58Å; R61-V104 WeakPolarHBondContact O-CA 3.26Å; V62-V104 HydrophobicContact CG2-CG2 4.34Å; V73-V104 HydrophobicContact CG2-CG2 4.17Å; M102-V104 HydrophobicContact CG-CG2 3.86Å; M102-V104 HydrophobicContact SD-CG2 3.55Å; M102-V104 VanDerWaalsContact SD-CG2 3.55Å; V104-C112 HydrophobicContact CB-CB 4.46Å; V104-C112 PolarHBondContact N-O 3.42Å; V104-C112 PolarHBondContact O-N 2.74Å; V104-I114 HydrophobicContact CB-CD1 4.19Å; V104-I114 HydrophobicContact CG2-CD1 3.49Å; V104-I114 VanDerWaalsContact CG2-CD1 3.49Å; V104-I114 HydrophobicContact CG2-CG1 4.28Å
105	F	85.3	Confident	82.1	Confident	44 Å²	44	53.4 Å²	53.4	19%	0.193	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.5	172.9	-165.2	-139.8	0	0	0	110	L16 R61 L63 D108 E110 I111	L16-F105 HydrophobicContact CD2-CE2 3.71Å; L16-F105 HydrophobicContact CD2-CZ 4.29Å; R61-F105 PolarHBondContact N-O 2.75Å; R61-F105 PolarHBondContact O-N 3.13Å; L63-F105 HydrophobicContact CD1-CB 3.99Å; L63-F105 HydrophobicContact CD2-CB 3.93Å; L63-F105 HydrophobicContact CG-CB 3.88Å; F105-D108 VanDerWaalsContact CE1-CA 3.47Å; F105-D108 HydrophobicContact CE1-CB 3.98Å; F105-D108 HydrophobicContact CZ-CB 4.35Å; F105-E110 WeakPolarHBondContact CA-O 3.45Å; F105-E110 VanDerWaalsContact CD2-O 3.26Å; F105-E110 WeakPolarHBondContact CD2-O 2.95Å; F105-I111 HydrophobicContact CD2-CG1 3.71Å; F105-I111 HydrophobicContact CE2-CG1 4.18Å
106	A	79.1	Confident	82.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.8	-173.7	0	0	0	0	0	111.7	L44 F60 D108 K109 E110	L44-A106 HydrophobicContact CD1-CB 3.56Å; F60-A106 HydrophobicContact CD1-CB 3.76Å; F60-A106 HydrophobicContact CE1-CB 3.63Å; A106-D108 PolarHBondContact O-N 3.02Å; A106-K109 PolarHBondContact O-N 2.8Å; A106-E110 PolarHBondContact N-O 3.06Å; A106-E110 PolarHBondContact O-N 3.44Å; A106-E110 VanDerWaalsContact O-N 3.14Å
107	N	72.9	Confident	83.3	Confident	55 Å²	55	47.4 Å²	47.4	29%	0.294	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	28.4	177.4	-63.7	-25.9	0	0	0	114.3	A58 N59 K109	A58-N107 WeakPolarHBondContact CA-OD1 3.33Å; A58-N107 WeakPolarHBondContact CB-OD1 3.27Å; N59-N107 PolarHBondContact N-OD1 2.82Å; N59-N107 PolarHBondContact O-N 3.32Å; N107-K109 PolarHBondContact O-N 3.37Å
108	D	70.3	Confident	83.6	Confident	76 Å²	76	40.5 Å²	40.5	41%	0.406	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	33	-173.6	-54.4	-73	0	0	0	113.8	N59 R61 F105 A106	N59-D108 PolarHBondContact ND2-OD1 3.38Å; N59-D108 PolarHBondContact ND2-OD2 2.84Å; R61-D108 IonicContact CZ-OD1 3.93Å; R61-D108 IonicContact NH1-OD1 2.74Å; R61-D108 PolarHBondContact NH1-OD1 2.92Å; R61-D108 IonicContact NH1-OD2 3.1Å; F105-D108 VanDerWaalsContact CE1-CA 3.47Å; F105-D108 HydrophobicContact CE1-CB 3.98Å; F105-D108 HydrophobicContact CZ-CB 4.35Å; A106-D108 PolarHBondContact O-N 3.02Å
109	K	68.7	Low	83.6	Confident	125 Å²	125	44.6 Å²	44.6	54%	0.543	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.8	-24	-173.5	-77.3	-167.5	174.9	-149.2	0	117.1	A106 N107	A106-K109 PolarHBondContact O-N 2.8Å; N107-K109 PolarHBondContact O-N 3.37Å
110	E	77.3	Confident	83.6	Confident	30 Å²	30	41.8 Å²	41.8	14%	0.14	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.8	-177.4	-53.9	-162.6	137	0	0	110.6	T17 K19 L44 F105 A106	T17-E110 VanDerWaalsContact OG1-CG 3.29Å; T17-E110 WeakPolarHBondContact OG1-CG 3.16Å; T17-E110 PolarHBondContact OG1-OE1 2.97Å; K19-E110 VanDerWaalsContact CE-OE1 3.27Å; K19-E110 WeakPolarHBondContact CE-OE1 3.28Å; K19-E110 VanDerWaalsContact CE-OE2 3.24Å; K19-E110 WeakPolarHBondContact CE-OE2 3.36Å; K19-E110 IonicContact NZ-OE1 3.91Å; K19-E110 PolarHBondContact NZ-OE1 3.25Å; K19-E110 IonicContact NZ-OE2 3.6Å; K19-E110 PolarHBondContact NZ-OE2 2.76Å; L44-E110 HydrophobicContact CD2-CG 4.46Å; L44-E110 VanDerWaalsContact CD2-OE2 3.22Å; L44-E110 WeakPolarHBondContact CD2-OE2 3.5Å; F105-E110 WeakPolarHBondContact CA-O 3.45Å; F105-E110 VanDerWaalsContact CD2-O 3.26Å; F105-E110 WeakPolarHBondContact CD2-O 2.95Å; A106-E110 PolarHBondContact N-O 3.06Å; A106-E110 PolarHBondContact O-N 3.44Å; A106-E110 VanDerWaalsContact O-N 3.14Å
111	I	80.4	Confident	83.7	Confident	42 Å²	42	43.6 Å²	43.6	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.9	172.8	-62.7	171.3	0	0	0	108.2	T17 L18 K19 L63 F105 M113	T17-I111 PolarHBondContact O-N 2.04Å; L18-I111 WeakPolarHBondContact CA-O 3.18Å; L18-I111 HydrophobicContact CD1-CB 3.97Å; L18-I111 HydrophobicContact CD1-CG2 3.88Å; K19-I111 PolarHBondContact N-O 2.89Å; L63-I111 HydrophobicContact CD1-CD1 4.5Å; L63-I111 HydrophobicContact CD1-CG1 4.45Å; F105-I111 HydrophobicContact CD2-CG1 3.71Å; F105-I111 HydrophobicContact CE2-CG1 4.18Å; I111-M113 HydrophobicContact CG2-SD 4.35Å
112	C	81.3	Confident	83.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.1	173.6	-65.3	0	0	0	0	109.3	K19 L21 I38 V104 I114	K19-C112 CarbonylContact O-C 3.55Å; K19-C112 VanDerWaalsContact O-CA 3.31Å; K19-C112 WeakPolarHBondContact O-CA 3.1Å; L21-C112 HydrophobicContact CD1-CB 4.41Å; I38-C112 HydrophobicContact CG2-CB 4.3Å; V104-C112 HydrophobicContact CB-CB 4.46Å; V104-C112 PolarHBondContact N-O 3.42Å; V104-C112 PolarHBondContact O-N 2.74Å; C112-I114 HydrophobicContact CB-CG1 4.43Å; C112-I114 PolarHBondContact O-N 2.91Å
113	M	84.8	Confident	83.7	Confident	55 Å²	55	43.8 Å²	43.8	27%	0.271	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.2	166.7	-59	-60.5	-59.8	0	0	107.9	L18 K19 N20 L21 E103 I111	L18-M113 HydrophobicContact CD1-CG 3.7Å; L18-M113 HydrophobicContact CD1-SD 4.09Å; L18-M113 HydrophobicContact CD2-CG 4.17Å; L18-M113 HydrophobicContact CG-CG 3.99Å; K19-M113 PolarHBondContact O-N 2.94Å; N20-M113 CarbonylContact C-O 3.59Å; N20-M113 WeakPolarHBondContact CA-O 3.43Å; N20-M113 WeakPolarHBondContact OD1-CB 3.38Å; L21-M113 PolarHBondContact N-O 2.77Å; E103-M113 VanDerWaalsContact CD-SD 3.57Å; E103-M113 HydrophobicContact CG-CE 3.79Å; E103-M113 HydrophobicContact CG-SD 3.7Å; E103-M113 VanDerWaalsContact OE1-CE 3.29Å; E103-M113 WeakPolarHBondContact OE1-CE 3.03Å; I111-M113 HydrophobicContact CG2-SD 4.35Å
114	I	87.6	Confident	83.8	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.6	-179.5	-47.2	-176.3	0	0	0	109	L21 Y23 I38 L80 S101 M102 V104 C112 I116	L21-I114 WeakPolarHBondContact O-CA 3.03Å; Y23-I114 HydrophobicContact CD2-CG2 3.72Å; Y23-I114 HydrophobicContact CE2-CG2 4.15Å; I38-I114 HydrophobicContact CD1-CD1 3.37Å; I38-I114 HydrophobicContact CG1-CD1 3.66Å; L80-I114 HydrophobicContact CD2-CG2 4.31Å; S101-I114 WeakPolarHBondContact CA-O 3.44Å; M102-I114 HydrophobicContact CB-CB 4.38Å; M102-I114 PolarHBondContact N-O 2.79Å; M102-I114 WeakPolarHBondContact O-CA 3.41Å; M102-I114 WeakPolarHBondContact O-CB 3.38Å; M102-I114 PolarHBondContact O-N 2.84Å; M102-I114 HydrophobicContact SD-CD1 4.32Å; V104-I114 HydrophobicContact CB-CD1 4.19Å; V104-I114 HydrophobicContact CG2-CD1 3.49Å; V104-I114 VanDerWaalsContact CG2-CD1 3.49Å; V104-I114 HydrophobicContact CG2-CG1 4.28Å; C112-I114 HydrophobicContact CB-CG1 4.43Å; C112-I114 PolarHBondContact O-N 2.91Å; I114-I116 HydrophobicContact CG2-CD1 4.38Å; I114-I116 HydrophobicContact CG2-CG1 3.97Å
115	K	89.1	Confident	84	Confident	108 Å²	108	45.3 Å²	45.3	47%	0.47	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.1	165.8	-65	-169.3	174.7	-163.9	0	109.2	L21 N22 Y23 L100	L21-K115 PolarHBondContact O-N 2.82Å; N22-K115 CarbonylContact C-O 3.58Å; N22-K115 WeakPolarHBondContact CA-O 3.19Å; Y23-K115 PolarHBondContact N-O 3.22Å; L100-K115 WeakPolarHBondContact O-CA 3.49Å
116	I	89.3	Confident	84.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	108.7	-179.4	-55.5	156	0	0	0	106.5	Y23 V25 I35 I71 L80 Q99 L100 I114 I118	Y23-I116 WeakPolarHBondContact O-CA 3.32Å; V25-I116 HydrophobicContact CG1-CG2 3.96Å; I35-I116 HydrophobicContact CD1-CG2 4.43Å; I35-I116 HydrophobicContact CG2-CG2 4.3Å; I71-I116 HydrophobicContact CD1-CD1 3.38Å; L80-I116 HydrophobicContact CD1-CD1 4.08Å; L80-I116 HydrophobicContact CD2-CD1 3.7Å; L80-I116 HydrophobicContact CD2-CG1 3.93Å; L80-I116 HydrophobicContact CG-CD1 4.4Å; Q99-I116 WeakPolarHBondContact CA-O 3.41Å; L100-I116 HydrophobicContact CB-CB 4.38Å; L100-I116 PolarHBondContact N-O 3.18Å; L100-I116 PolarHBondContact O-N 2.99Å; I114-I116 HydrophobicContact CG2-CD1 4.38Å; I114-I116 HydrophobicContact CG2-CG1 3.97Å; I116-I118 HydrophobicContact CG2-CD1 4.08Å
117	D	88.6	Confident	85	Confident	64 Å²	64	47.4 Å²	47.4	34%	0.342	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	115.7	173.8	-139.6	37.3	0	0	0	107.5	Y23 S24 V25 Q99 Q119	Y23-D117 PolarHBondContact O-N 2.55Å; S24-D117 VanDerWaalsContact CA-O 3.28Å; S24-D117 WeakPolarHBondContact CA-O 3Å; V25-D117 PolarHBondContact N-O 3.4Å; Q99-D117 WeakPolarHBondContact CG-OD1 3.12Å; Q99-D117 PolarHBondContact NE2-OD1 3.5Å; D117-Q119 PolarHBondContact O-N 3.46Å
118	I	89.3	Confident	85.9	Confident	9 Å²	9	45.6 Å²	45.6	5%	0.046	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	111.5	173.5	-53.2	-53.4	0	0	0	106.9	V25 E27 I86 R88 C98 L100 I116 D120	V25-I118 HydrophobicContact CG1-CD1 3.67Å; E27-I118 HydrophobicContact CB-CG2 3.85Å; I86-I118 HydrophobicContact CD1-CD1 4.23Å; I86-I118 HydrophobicContact CG2-CD1 4.19Å; I86-I118 HydrophobicContact CG2-CG1 4.44Å; I86-I118 HydrophobicContact CG2-CG2 4.06Å; R88-I118 HydrophobicContact CB-CG2 4.05Å; R88-I118 HydrophobicContact CG-CG2 3.96Å; C98-I118 HydrophobicContact CB-CB 4.09Å; C98-I118 PolarHBondContact O-N 2.82Å; L100-I118 HydrophobicContact CD1-CD1 3.94Å; L100-I118 HydrophobicContact CD1-CG1 4.37Å; L100-I118 HydrophobicContact CG-CD1 4.2Å; L100-I118 HydrophobicContact CG-CG1 4.2Å; I116-I118 HydrophobicContact CG2-CD1 4.08Å; I118-D120 PolarHBondContact O-N 3.21Å
119	Q	87.4	Confident	87	Confident	90 Å²	90	46.4 Å²	46.4	42%	0.421	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.1	179.6	-63.4	179	-51.7	0	0	109.2	V25 P26 E27 D117	V25-Q119 PolarHBondContact O-N 2.73Å; P26-Q119 WeakPolarHBondContact CA-O 3.37Å; E27-Q119 PolarHBondContact N-O 2.97Å; D117-Q119 PolarHBondContact O-N 3.46Å
120	D	88.2	Confident	88.1	Confident	35 Å²	35	43.7 Å²	43.7	19%	0.187	24%	0.238	C	C	.	.			trans	-57	138.7	173.9	-179.5	116.5	0	0	0	111.7	E27 R88 I118 A157 N160	E27-D120 WeakPolarHBondContact OE1-CA 3.3Å; R88-D120 IonicContact CZ-OD1 2.7Å; R88-D120 IonicContact NE-OD1 3.73Å; R88-D120 PolarHBondContact NE-OD1 3.39Å; R88-D120 IonicContact NH1-OD1 3.91Å; R88-D120 IonicContact NH2-OD1 2.78Å; R88-D120 PolarHBondContact NH2-OD1 2.93Å; R88-D120 VanDerWaalsContact NH2-OD1 3.11Å; I118-D120 PolarHBondContact O-N 3.21Å; D120-A157 WeakPolarHBondContact OD1-CA 3.42Å; D120-A157 VanDerWaalsContact OD1-CB 3.26Å; D120-A157 WeakPolarHBondContact OD1-CB 3.48Å; D120-A157 PolarHBondContact OD1-N 3.39Å; D120-N160 PolarHBondContact O-ND2 2.77Å; D120-N160 WeakPolarHBondContact OD2-CB 3.29Å; D120-N160 PolarHBondContact OD2-ND2 3.09Å
121	I	88.9	Confident	88.6	Confident	51 Å²	51	49.2 Å²	49.2	26%	0.262	27%	0.269	S	S	.	.			trans	-124.2	147.8	173.3	69.2	-179.8	0	0	0	109.7	P26 E27 E28 D123 N160	P26-I121 HydrophobicContact CB-CG2 4.24Å; E27-I121 HydrophobicContact CG-CB 4.38Å; E27-I121 HydrophobicContact CG-CD1 3.86Å; E27-I121 HydrophobicContact CG-CG1 3.6Å; E27-I121 HydrophobicContact CG-CG2 4.22Å; E27-I121 PolarHBondContact OE1-N 2.8Å; E28-I121 HydrophobicContact CB-CD1 3.96Å; E28-I121 HydrophobicContact CG-CD1 4.07Å; I121-D123 VanDerWaalsContact C-N 3.31Å; I121-D123 HydrophobicContact CD1-CB 4.06Å; I121-D123 HydrophobicContact CG1-CB 4.01Å; I121-D123 PolarHBondContact O-N 2.92Å; I121-N160 WeakPolarHBondContact CA-ND2 3.26Å
122	N	89.3	Confident	89.3	Confident	24 Å²	24	52 Å²	52	13%	0.128	28%	0.281	C	S	.	.			trans	-74.6	86.3	169.8	-179.5	-16.7	0	0	0	109.7	D156 N160 D213 R219	N122-D156 WeakPolarHBondContact CA-OD2 3.37Å; N122-N160 HydrophobicContact CB-CB 4Å; N122-N160 PolarHBondContact N-ND2 3.26Å; N122-D213 PolarHBondContact ND2-OD1 2.85Å; N122-D213 PolarHBondContact ND2-OD2 2.72Å; N122-R219 PolarHBondContact O-NH2 2.95Å; N122-R219 WeakPolarHBondContact OD1-CD 3.41Å; N122-R219 PolarHBondContact OD1-NE 3.46Å
123	D	88	Confident	89.8	Confident	47 Å²	47	54 Å²	54	25%	0.251	29%	0.291	S	S	.	.			trans	-113.8	-14.1	171.6	101.9	-34.6	0	0	0	115.8	I121 D156 R219	I121-D123 VanDerWaalsContact C-N 3.31Å; I121-D123 HydrophobicContact CD1-CB 4.06Å; I121-D123 HydrophobicContact CG1-CB 4.01Å; I121-D123 PolarHBondContact O-N 2.92Å; D123-D156 PolarHBondContact N-OD2 3.34Å; D123-R219 VanDerWaalsContact C-NH1 3.28Å; D123-R219 PolarHBondContact O-NH1 2.74Å
124	N	88.8	Confident	90.2	Very high	55 Å²	55	56.3 Å²	56.3	29%	0.294	31%	0.305	S	S	.	.	S	Bend	trans	-90.5	-146.6	168.9	-63.4	-84	0	0	0	111	P155 D156 R219	N124-P155 HydrophobicContact CB-CB 4.23Å; N124-P155 HydrophobicContact CB-CG 3.78Å; N124-D156 VanDerWaalsContact CB-OD1 3.29Å; N124-D156 WeakPolarHBondContact CB-OD1 3.2Å; N124-D156 PolarHBondContact N-OD2 3.11Å; N124-D156 PolarHBondContact ND2-OD1 2.92Å; N124-R219 WeakPolarHBondContact O-CD 3.38Å; N124-R219 PolarHBondContact O-NE 2.83Å; N124-R219 PolarHBondContact O-NH1 2.86Å
125	S	90.2	Very high	90.5	Very high	40 Å²	40	57.4 Å²	57.4	28%	0.28	31%	0.31	S	S	.	.			trans	-174.7	159.1	171	52.5	0	0	0	0	109.5	V127	S125-V127 PolarHBondContact O-N 2.71Å
126	P	92.9	Very high	90.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.			trans	-62.7	120.8	174.9	-20.9	31.4	0	0	0	112.2	A152 D154 L162 A211 D213 G221	P126-A152 HydrophobicContact CB-CB 4.06Å; P126-D154 WeakPolarHBondContact CG-OD2 3.34Å; P126-L162 HydrophobicContact CB-CD1 4.28Å; P126-L162 HydrophobicContact CG-CD1 4.38Å; P126-A211 HydrophobicContact CB-CB 3.71Å; P126-D213 HydrophobicContact CG-CB 3.96Å; P126-G221 VanDerWaalsContact O-CA 3.24Å; P126-G221 WeakPolarHBondContact O-CA 3.23Å; P126-G221 PolarHBondContact O-N 3.21Å
127	V	91.9	Very high	90.9	Very high	88 Å²	88	57.2 Å²	57.2	53%	0.533	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-116.5	131.4	177.8	173.8	0	0	0	0	110.8	S125 A152 H153	S125-V127 PolarHBondContact O-N 2.71Å; V127-A152 CarbonylContact O-C 3.53Å; V127-A152 WeakPolarHBondContact O-CA 3.48Å; V127-H153 PolarHBondContact N-O 3.18Å; V127-H153 PolarHBondContact O-N 3.49Å
128	F	92.8	Very high	91.2	Very high	16 Å²	16	56.2 Å²	56.2	7%	0.07	31%	0.312	C	S	.	.			trans	-80.9	150.8	172.8	-72.6	-80.6	0	0	0	111.6	S130 T150 A152 Y165 L209 A211 M223	F128-S130 WeakPolarHBondContact CB-O 3.37Å; F128-S130 PolarHBondContact O-N 3.23Å; F128-T150 WeakPolarHBondContact CE1-O 3.05Å; F128-A152 HydrophobicContact CD1-CB 4Å; F128-A152 HydrophobicContact CD2-CB 4.47Å; F128-A152 HydrophobicContact CE1-CB 3.87Å; F128-A152 HydrophobicContact CE2-CB 4.37Å; F128-A152 HydrophobicContact CG-CB 4.31Å; F128-A152 HydrophobicContact CZ-CB 4.07Å; F128-Y165 HydrophobicContact CE1-CD1 4.38Å; F128-Y165 AromaticContact CE1-CE1 3.99Å; F128-Y165 HydrophobicContact CE1-CE1 3.99Å; F128-Y165 HydrophobicContact CZ-CD1 4.06Å; F128-Y165 HydrophobicContact CZ-CE1 4.03Å; F128-L209 HydrophobicContact CE1-CD2 3.56Å; F128-L209 HydrophobicContact CE1-CG 4.37Å; F128-L209 HydrophobicContact CZ-CD2 3.5Å; F128-L209 VanDerWaalsContact CZ-CD2 3.5Å; F128-L209 HydrophobicContact CZ-CG 3.8Å; F128-A211 HydrophobicContact CE1-CB 4.47Å; F128-A211 HydrophobicContact CE2-CB 3.69Å; F128-A211 HydrophobicContact CZ-CB 3.58Å; F128-M223 HydrophobicContact CB-CB 4.06Å; F128-M223 HydrophobicContact CB-SD 4.29Å; F128-M223 HydrophobicContact CD1-CB 4.11Å; F128-M223 HydrophobicContact CD1-CE 3.92Å; F128-M223 HydrophobicContact CD1-SD 4.12Å; F128-M223 HydrophobicContact CD2-CB 3.61Å; F128-M223 HydrophobicContact CE1-CB 4.47Å; F128-M223 HydrophobicContact CE1-CE 4.06Å; F128-M223 HydrophobicContact CE2-CB 4Å; F128-M223 HydrophobicContact CG-CB 3.66Å; F128-M223 HydrophobicContact CG-SD 4.3Å; F128-M223 HydrophobicContact CZ-CB 4.41Å
129	P	91.4	Very high	91.4	Very high	94 Å²	94	56.1 Å²	56.1	61%	0.61	31%	0.311	S	S	*	.	S	Bend	trans	-64.6	-18.2	176.2	-23.2	34.7	0	0	0	115.2
130	S	91.9	Very high	91.6	Very high	68 Å²	68	56.3 Å²	56.3	48%	0.476	32%	0.316	S	S	.	.	S	Bend	trans	-147.4	148.6	179.9	-58.8	0	0	0	0	109.7	F128 Q132 M223	F128-S130 WeakPolarHBondContact CB-O 3.37Å; F128-S130 PolarHBondContact O-N 3.23Å; S130-Q132 VanDerWaalsContact C-N 3.33Å; S130-Q132 WeakPolarHBondContact CB-O 3.3Å; S130-M223 WeakPolarHBondContact O-CG 3.42Å
131	D	89.5	Confident	91.8	Very high	145 Å²	145	55.4 Å²	55.4	78%	0.775	31%	0.313	S	S	*	.	S	Bend	trans	-74.3	-23.7	177.3	-56.7	-42.3	0	0	0	113	M223 Q224	D131-M223 WeakPolarHBondContact O-CA 2.9Å; D131-Q224 PolarHBondContact O-N 3.36Å
132	Q	93.5	Very high	92	Very high	101 Å²	101	57.8 Å²	57.8	47%	0.472	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.1	174	70.1	175.6	59.7	0	0	112.3	S130 D134 Q224	S130-Q132 VanDerWaalsContact C-N 3.33Å; S130-Q132 WeakPolarHBondContact CB-O 3.3Å; Q132-D134 PolarHBondContact NE2-OD2 2.77Å; Q132-Q224 CarbonylContact C-O 3.53Å; Q132-Q224 VanDerWaalsContact CA-O 3.23Å; Q132-Q224 WeakPolarHBondContact CA-O 3.23Å; Q132-Q224 HydrophobicContact CB-CB 4.22Å
133	I	93	Very high	92.2	Very high	43 Å²	43	59.6 Å²	59.6	22%	0.221	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.3	166.7	-173.6	171.5	0	0	0	109.6	I135 M223 Q224 I225 N226	I133-I135 HydrophobicContact CD1-CG1 4.46Å; I133-I135 HydrophobicContact CG1-CG1 4.17Å; I133-M223 HydrophobicContact CB-CE 4.49Å; I133-M223 HydrophobicContact CB-SD 4.11Å; I133-M223 HydrophobicContact CG2-CE 3.72Å; I133-M223 HydrophobicContact CG2-CG 4.43Å; I133-M223 HydrophobicContact CG2-SD 3.89Å; I133-Q224 PolarHBondContact N-O 2.85Å; I133-I225 HydrophobicContact CG2-CB 4.24Å; I133-I225 HydrophobicContact CG2-CG1 3.84Å; I133-I225 HydrophobicContact CG2-CG2 4.22Å; I133-I225 WeakPolarHBondContact O-CA 3.4Å; I133-N226 PolarHBondContact O-N 3.03Å
134	D	92.9	Very high	92.3	Very high	103 Å²	103	59.4 Å²	59.4	55%	0.551	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.8	175.8	-53.4	-64	0	0	0	108.6	Q132 N226	Q132-D134 PolarHBondContact NE2-OD2 2.77Å; D134-N226 WeakPolarHBondContact CA-O 3.3Å; D134-N226 VanDerWaalsContact OD1-CB 3.31Å; D134-N226 WeakPolarHBondContact OD1-CB 3.36Å; D134-N226 PolarHBondContact OD1-ND2 2.85Å
135	I	92.7	Very high	92.5	Very high	24 Å²	24	59.3 Å²	59.3	12%	0.123	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.1	-177.2	-49.5	-178.8	0	0	0	109.3	I133 I137 F147 L149 I225 N226 V227 K228	I133-I135 HydrophobicContact CD1-CG1 4.46Å; I133-I135 HydrophobicContact CG1-CG1 4.17Å; I135-I137 HydrophobicContact CG2-CD1 4.13Å; I135-I137 HydrophobicContact CG2-CG1 3.82Å; I135-F147 HydrophobicContact CG2-CD1 4.34Å; I135-L149 HydrophobicContact CD1-CD2 3.54Å; I135-I225 HydrophobicContact CD1-CG2 3.72Å; I135-I225 HydrophobicContact CG1-CG2 4.18Å; I135-N226 PolarHBondContact N-O 3.29Å; I135-V227 WeakPolarHBondContact O-CA 3.09Å; I135-K228 PolarHBondContact O-N 3.1Å
136	D	94.3	Very high	92.6	Very high	103 Å²	103	62.4 Å²	62.4	55%	0.551	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.5	172.3	-57.1	-53.2	0	0	0	109.9	K228 I230	D136-K228 WeakPolarHBondContact CA-O 3.23Å; D136-K228 WeakPolarHBondContact OD1-CB 3.35Å; D136-I230 HydrophobicContact CB-CD1 3.66Å; D136-I230 HydrophobicContact CB-CG1 3.74Å
137	I	94.3	Very high	92.6	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.3	-177.5	-59	-175.1	0	0	0	109.3	I135 A141 F147 F175 L191 I193 L197 V227 K228 V229 I230	I135-I137 HydrophobicContact CG2-CD1 4.13Å; I135-I137 HydrophobicContact CG2-CG1 3.82Å; I137-A141 HydrophobicContact CG2-CB 3.88Å; I137-F147 HydrophobicContact CB-CZ 4.35Å; I137-F147 HydrophobicContact CD1-CD1 4.45Å; I137-F147 HydrophobicContact CD1-CD2 3.92Å; I137-F147 HydrophobicContact CD1-CE1 4.35Å; I137-F147 HydrophobicContact CD1-CE2 3.83Å; I137-F147 HydrophobicContact CD1-CG 4.26Å; I137-F147 HydrophobicContact CD1-CZ 4.06Å; I137-F147 HydrophobicContact CG1-CD1 4.37Å; I137-F147 HydrophobicContact CG1-CE1 3.97Å; I137-F147 HydrophobicContact CG1-CE2 4.21Å; I137-F147 HydrophobicContact CG1-CZ 3.9Å; I137-F147 HydrophobicContact CG2-CE2 4.11Å; I137-F147 HydrophobicContact CG2-CZ 3.8Å; I137-F175 HydrophobicContact CD1-CE1 4.24Å; I137-L191 HydrophobicContact CD1-CD2 4.43Å; I137-I193 HydrophobicContact CG2-CD1 3.88Å; I137-L197 HydrophobicContact CB-CD1 4.42Å; I137-L197 HydrophobicContact CG2-CD1 3.72Å; I137-V227 HydrophobicContact CB-CG1 4.23Å; I137-V227 HydrophobicContact CD1-CG1 3.79Å; I137-V227 HydrophobicContact CD1-CG2 4.48Å; I137-V227 HydrophobicContact CG1-CG1 4.05Å; I137-K228 PolarHBondContact N-O 2.74Å; I137-V229 CarbonylContact O-C 3.59Å; I137-V229 VanDerWaalsContact O-CA 3.23Å; I137-V229 WeakPolarHBondContact O-CA 3.41Å; I137-I230 PolarHBondContact O-N 3.22Å
138	S	93.6	Very high	92.5	Very high	42 Å²	42	65.3 Å²	65.3	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	143.1	173.3	160.9	0	0	0	0	111.7	N140 A141 I230 S232	S138-N140 PolarHBondContact O-N 3.33Å; S138-N140 PolarHBondContact OG-N 2.72Å; S138-A141 WeakPolarHBondContact O-CB 3.46Å; S138-A141 PolarHBondContact O-N 3.35Å; S138-I230 VanDerWaalsContact CA-O 3.3Å; S138-I230 WeakPolarHBondContact CA-O 3.19Å; S138-S232 PolarHBondContact OG-OG 2.89Å
139	E	93.9	Very high	92.5	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.033	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.2	-179.6	63.6	-107.8	106.2	0	0	114.1	A141 L197 R199 V229 I230 D231 S232	E139-A141 PolarHBondContact O-N 3.42Å; E139-L197 HydrophobicContact CB-CB 4.12Å; E139-R199 WeakPolarHBondContact OE2-CB 3.27Å; E139-R199 PolarHBondContact OE2-N 2.88Å; E139-R199 VanDerWaalsContact OE2-N 3.11Å; E139-V229 HydrophobicContact CB-CG1 3.8Å; E139-I230 PolarHBondContact N-O 2.95Å; E139-D231 VanDerWaalsContact OE1-C 3.25Å; E139-D231 WeakPolarHBondContact OE1-CA 2.94Å; E139-S232 WeakPolarHBondContact OE1-CB 3.26Å; E139-S232 PolarHBondContact OE1-N 3.25Å; E139-S232 PolarHBondContact OE1-OG 2.75Å
140	N	91.6	Very high	92.4	Very high	95 Å²	95	63.4 Å²	63.4	51%	0.508	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	4.8	173.4	-87	-84.5	0	0	0	113.4	S138 V142 S232	S138-N140 PolarHBondContact O-N 3.33Å; S138-N140 PolarHBondContact OG-N 2.72Å; N140-V142 PolarHBondContact O-N 3.39Å; N140-S232 VanDerWaalsContact ND2-CB 3.25Å; N140-S232 WeakPolarHBondContact ND2-CB 3.44Å
141	A	92.6	Very high	92.3	Very high	16 Å²	16	63 Å²	63	13%	0.132	36%	0.359	C	S	.	.			trans	-68.1	96.6	172	0	0	0	0	0	111.7	I137 S138 E139 I193	I137-A141 HydrophobicContact CG2-CB 3.88Å; S138-A141 WeakPolarHBondContact O-CB 3.46Å; S138-A141 PolarHBondContact O-N 3.35Å; E139-A141 PolarHBondContact O-N 3.42Å; A141-I193 HydrophobicContact CB-CD1 3.52Å
142	V	93.1	Very high	92.4	Very high	101 Å²	101	56.2 Å²	56.2	61%	0.612	32%	0.324	S	S	*	.			trans	-45.7	134.4	-178	-174.1	0	0	0	0	112.7	N140 G144 T145	N140-V142 PolarHBondContact O-N 3.39Å; V142-G144 PolarHBondContact O-N 3.3Å; V142-T145 WeakPolarHBondContact O-CB 3.24Å; V142-T145 PolarHBondContact O-N 2.8Å; V142-T145 PolarHBondContact O-OG1 2.74Å
143	P	93	Very high	92.2	Very high	62 Å²	62	56.5 Å²	56.5	40%	0.403	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	134.7	173.5	-29.5	36.7	0	0	0	112.9	P196	P143-P196 HydrophobicContact CG-CG 4.07Å
144	G	90.4	Very high	92.1	Very high	42 Å²	42	54.6 Å²	54.6	43%	0.433	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-7.9	-168.3	0	0	0	0	0	114.6	V142 R146 I193	V142-G144 PolarHBondContact O-N 3.3Å; G144-R146 VanDerWaalsContact O-CG 3.23Å; G144-R146 WeakPolarHBondContact O-CG 3.22Å; G144-I193 PolarHBondContact N-O 3.47Å
145	T	93	Very high	91.8	Very high	53 Å²	53	51.4 Å²	51.4	33%	0.325	30%	0.3	S	S	.	.			trans	-62.8	145.3	170	-61.9	0	0	0	0	111.2	V142 F147 V192 I193	V142-T145 WeakPolarHBondContact O-CB 3.24Å; V142-T145 PolarHBondContact O-N 2.8Å; V142-T145 PolarHBondContact O-OG1 2.74Å; T145-F147 HydrophobicContact CG2-CE2 3.69Å; T145-F147 HydrophobicContact CG2-CZ 3.87Å; T145-V192 WeakPolarHBondContact O-CA 3.49Å; T145-I193 PolarHBondContact O-N 3.29Å; T145-I193 VanDerWaalsContact O-N 3.08Å
146	R	92.2	Very high	91.6	Very high	105 Å²	105	50.6 Å²	50.6	40%	0.396	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.9	-162.6	-52	178	160.5	-117.8	-3.7	111.7	G144 E178 K180 E190 L191 V192	G144-R146 VanDerWaalsContact O-CG 3.23Å; G144-R146 WeakPolarHBondContact O-CG 3.22Å; R146-E178 IonicContact CZ-OE1 2.72Å; R146-E178 IonicContact CZ-OE2 2.64Å; R146-E178 VanDerWaalsContact CZ-OE2 3.3Å; R146-E178 IonicContact NH1-OE1 3.13Å; R146-E178 PolarHBondContact NH1-OE1 3.22Å; R146-E178 IonicContact NH1-OE2 3.86Å; R146-E178 PolarHBondContact NH1-OE2 2.96Å; R146-E178 VanDerWaalsContact NH1-OE2 3.1Å; R146-E178 IonicContact NH2-OE1 3.61Å; R146-E178 IonicContact NH2-OE2 2.91Å; R146-E178 PolarHBondContact NH2-OE2 3.42Å; R146-K180 VanDerWaalsContact NH1-CE 3.29Å; R146-K180 VanDerWaalsContact NH1-NZ 3.13Å; R146-E190 WeakPolarHBondContact CD-OE2 3.31Å; R146-E190 IonicContact CZ-OE2 3.34Å; R146-E190 IonicContact NH1-OE2 2.64Å; R146-E190 PolarHBondContact NH1-OE2 3.02Å; R146-L191 CarbonylContact C-O 3.59Å; R146-L191 WeakPolarHBondContact CA-O 3.22Å; R146-V192 HydrophobicContact CG-CG1 4.34Å; R146-V192 HydrophobicContact CG-CG2 4.09Å
147	F	92.1	Very high	91.1	Very high	45 Å²	45	46.4 Å²	46.4	20%	0.197	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.5	177.9	-60.4	-94.8	0	0	0	109.1	I135 I137 T145 L149 E190 L191 I193	I135-F147 HydrophobicContact CG2-CD1 4.34Å; I137-F147 HydrophobicContact CB-CZ 4.35Å; I137-F147 HydrophobicContact CD1-CD1 4.45Å; I137-F147 HydrophobicContact CD1-CD2 3.92Å; I137-F147 HydrophobicContact CD1-CE1 4.35Å; I137-F147 HydrophobicContact CD1-CE2 3.83Å; I137-F147 HydrophobicContact CD1-CG 4.26Å; I137-F147 HydrophobicContact CD1-CZ 4.06Å; I137-F147 HydrophobicContact CG1-CD1 4.37Å; I137-F147 HydrophobicContact CG1-CE1 3.97Å; I137-F147 HydrophobicContact CG1-CE2 4.21Å; I137-F147 HydrophobicContact CG1-CZ 3.9Å; I137-F147 HydrophobicContact CG2-CE2 4.11Å; I137-F147 HydrophobicContact CG2-CZ 3.8Å; T145-F147 HydrophobicContact CG2-CE2 3.69Å; T145-F147 HydrophobicContact CG2-CZ 3.87Å; F147-L149 PolarHBondContact O-N 3.22Å; F147-E190 CarbonylContact O-C 3.53Å; F147-E190 WeakPolarHBondContact O-CA 3.09Å; F147-L191 HydrophobicContact CB-CB 4.31Å; F147-L191 PolarHBondContact N-O 2.8Å; F147-L191 PolarHBondContact O-N 3.29Å; F147-I193 HydrophobicContact CE2-CD1 3.85Å; F147-I193 HydrophobicContact CE2-CG1 4.19Å
148	P	91	Very high	90.4	Very high	105 Å²	105	49.7 Å²	49.7	68%	0.682	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.5	-179.8	28.9	-33.6	0	0	0	110.3
149	L	92.1	Very high	89.9	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.063	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-100.5	156	178.1	-62.8	178.5	0	0	0	111.1	I135 F147 S151 L177 P189 L191 L209 I225	I135-L149 HydrophobicContact CD1-CD2 3.54Å; F147-L149 PolarHBondContact O-N 3.22Å; L149-S151 PolarHBondContact O-N 3.09Å; L149-L177 HydrophobicContact CD1-CD1 3.84Å; L149-P189 HydrophobicContact CB-CB 4.24Å; L149-P189 HydrophobicContact CB-CG 3.92Å; L149-P189 HydrophobicContact CD1-CB 4.26Å; L149-P189 PolarHBondContact N-O 2.91Å; L149-L191 HydrophobicContact CD1-CB 3.99Å; L149-L191 HydrophobicContact CD2-CB 4.28Å; L149-L191 HydrophobicContact CG-CB 4.13Å; L149-L209 HydrophobicContact CD1-CD2 4.14Å; L149-I225 HydrophobicContact CD1-CD1 3.65Å; L149-I225 HydrophobicContact CD2-CD1 4.07Å
150	T	89.2	Confident	89.6	Confident	57 Å²	57	55.1 Å²	55.1	35%	0.35	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-64.2	124.8	173.7	38.6	0	0	0	0	110.6	F128 M223	F128-T150 WeakPolarHBondContact CE1-O 3.05Å; T150-M223 WeakPolarHBondContact OG1-CE 3.15Å
151	S	90.8	Very high	89.3	Confident	59 Å²	59	51 Å²	51	41%	0.413	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-70.8	137.4	175	57.2	0	0	0	0	111.2	L149 Y165	L149-S151 PolarHBondContact O-N 3.09Å; S151-Y165 WeakPolarHBondContact CA-OH 3.26Å; S151-Y165 VanDerWaalsContact CB-OH 3.27Å; S151-Y165 WeakPolarHBondContact CB-OH 3.41Å
152	A	90.8	Very high	89.2	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.033	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65.2	147.9	168.6	0	0	0	0	0	110.7	P126 V127 F128 L162 Y165 A211	P126-A152 HydrophobicContact CB-CB 4.06Å; V127-A152 CarbonylContact O-C 3.53Å; V127-A152 WeakPolarHBondContact O-CA 3.48Å; F128-A152 HydrophobicContact CD1-CB 4Å; F128-A152 HydrophobicContact CD2-CB 4.47Å; F128-A152 HydrophobicContact CE1-CB 3.87Å; F128-A152 HydrophobicContact CE2-CB 4.37Å; F128-A152 HydrophobicContact CG-CB 4.31Å; F128-A152 HydrophobicContact CZ-CB 4.07Å; A152-L162 HydrophobicContact CB-CD1 4.42Å; A152-Y165 HydrophobicContact CB-CE1 3.88Å; A152-Y165 PolarHBondContact N-OH 3.32Å; A152-A211 HydrophobicContact CB-CB 3.45Å; A152-A211 VanDerWaalsContact CB-CB 3.45Å
153	H	89.3	Confident	88.9	Confident	107 Å²	107	51 Å²	51	50%	0.495	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-102.3	121.8	174.1	-164.9	105.4	0	0	0	110.1	R94 V127	R94-H153 PolarHBondContact NH2-CD2 3.47Å; R94-H153 PolarHBondContact NH2-CE1 2.64Å; R94-H153 PolarHBondContact NH2-ND1 3.23Å; R94-H153 PolarHBondContact NH2-NE2 3.27Å; V127-H153 PolarHBondContact N-O 3.18Å; V127-H153 PolarHBondContact O-N 3.49Å
154	D	90.3	Very high	88.8	Confident	3 Å²	3	51 Å²	51	2%	0.016	30%	0.301	C	S	.	.			trans	-117.6	126.4	172.4	-158.5	-19.5	0	0	0	110	R94 P126 D156 G161 L162	R94-D154 PolarHBondContact NE-O 2.75Å; R94-D154 VanDerWaalsContact NH2-N 3.13Å; R94-D154 PolarHBondContact NH2-O 2.87Å; P126-D154 WeakPolarHBondContact CG-OD2 3.34Å; D154-D156 VanDerWaalsContact C-N 3.33Å; D154-D156 PolarHBondContact OD1-N 2.86Å; D154-G161 WeakPolarHBondContact OD2-CA 3.37Å; D154-L162 HydrophobicContact CB-CB 3.93Å; D154-L162 PolarHBondContact OD2-N 3.38Å
155	P	87.6	Confident	88.9	Confident	35 Å²	35	49.4 Å²	49.4	23%	0.227	28%	0.282	C	S	.	.			trans	-67.1	-32.2	175	-23	36.4	0	0	0	113.8	R88 E89 N124	R88-P155 PolarHBondContact NH2-O 2.82Å; E89-P155 HydrophobicContact CB-CB 4.31Å; E89-P155 HydrophobicContact CG-CB 3.5Å; E89-P155 VanDerWaalsContact CG-CB 3.5Å; N124-P155 HydrophobicContact CB-CB 4.23Å; N124-P155 HydrophobicContact CB-CG 3.78Å
156	D	88.8	Confident	88.8	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.043	29%	0.293	C	S	.	.			trans	-73.3	156.2	-166	-59.8	-1.9	0	0	0	111.5	N122 D123 N124 D154 N160	N122-D156 WeakPolarHBondContact CA-OD2 3.37Å; D123-D156 PolarHBondContact N-OD2 3.34Å; N124-D156 VanDerWaalsContact CB-OD1 3.29Å; N124-D156 WeakPolarHBondContact CB-OD1 3.2Å; N124-D156 PolarHBondContact N-OD2 3.11Å; N124-D156 PolarHBondContact ND2-OD1 2.92Å; D154-D156 VanDerWaalsContact C-N 3.33Å; D154-D156 PolarHBondContact OD1-N 2.86Å; D156-N160 HydrophobicContact CB-CB 4.19Å
157	A	82.9	Confident	88.8	Confident	14 Å²	14	49 Å²	49	12%	0.116	28%	0.281	C	S	.	.			trans	-118.4	161	-168.7	0	0	0	0	0	114.3	D120 E159 N160	D120-A157 WeakPolarHBondContact OD1-CA 3.42Å; D120-A157 VanDerWaalsContact OD1-CB 3.26Å; D120-A157 WeakPolarHBondContact OD1-CB 3.48Å; D120-A157 PolarHBondContact OD1-N 3.39Å; A157-E159 PolarHBondContact O-N 3.28Å; A157-N160 PolarHBondContact O-N 2.9Å
158	G	81.4	Confident	88.4	Confident	71 Å²	71	50.8 Å²	50.8	73%	0.732	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-121.4	178	0	0	0	0	0	112.3
159	E	82.9	Confident	87.8	Confident	130 Å²	130	50.9 Å²	50.9	61%	0.607	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-22.9	178.2	-74	-69.8	143.1	0	0	113.2	A157 K163 G214	A157-E159 PolarHBondContact O-N 3.28Å; E159-K163 IonicContact OE2-NZ 2.85Å; E159-K163 PolarHBondContact OE2-NZ 2.99Å; E159-G214 CarbonylContact O-C 3.52Å; E159-G214 WeakPolarHBondContact O-CA 3.5Å; E159-G214 PolarHBondContact O-N 2.9Å
160	N	86.5	Confident	87	Confident	33 Å²	33	52 Å²	52	18%	0.176	29%	0.288	C	S	.	.	S	Bend	trans	-77.7	-21.2	-177.5	-71.9	-29.7	0	0	0	113.1	D120 I121 N122 D156 A157 D213 G215	D120-N160 PolarHBondContact O-ND2 2.77Å; D120-N160 WeakPolarHBondContact OD2-CB 3.29Å; D120-N160 PolarHBondContact OD2-ND2 3.09Å; I121-N160 WeakPolarHBondContact CA-ND2 3.26Å; N122-N160 HydrophobicContact CB-CB 4Å; N122-N160 PolarHBondContact N-ND2 3.26Å; D156-N160 HydrophobicContact CB-CB 4.19Å; A157-N160 PolarHBondContact O-N 2.9Å; N160-D213 VanDerWaalsContact O-CB 3.31Å; N160-D213 WeakPolarHBondContact O-CB 3.17Å; N160-G215 WeakPolarHBondContact OD1-CA 3.36Å
161	G	86	Confident	86	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	29%	0.29	C	S	.	.	S	Bend	trans	-81	171.3	175.1	0	0	0	0	0	114.3	D154 K163	D154-G161 WeakPolarHBondContact OD2-CA 3.37Å; G161-K163 PolarHBondContact O-N 3.27Å; G161-K163 VanDerWaalsContact O-N 3.09Å
162	L	89.5	Confident	85.3	Confident	30 Å²	30	55 Å²	55	16%	0.157	29%	0.291	C	S	.	.			trans	-28.4	105.6	178.3	179.7	69.2	0	0	0	115.1	P126 A152 D154 Y165 K187 A211	P126-L162 HydrophobicContact CB-CD1 4.28Å; P126-L162 HydrophobicContact CG-CD1 4.38Å; A152-L162 HydrophobicContact CB-CD1 4.42Å; D154-L162 HydrophobicContact CB-CB 3.93Å; D154-L162 PolarHBondContact OD2-N 3.38Å; L162-Y165 HydrophobicContact CD1-CE1 4.17Å; L162-Y165 HydrophobicContact CD1-CE2 4.28Å; L162-Y165 HydrophobicContact CD2-CE2 4.02Å; L162-Y165 VanDerWaalsContact CD2-OH 3.28Å; L162-Y165 WeakPolarHBondContact CD2-OH 3.4Å; L162-Y165 HydrophobicContact CG-CE2 4.49Å; L162-K187 HydrophobicContact CD2-CB 4.25Å; L162-A211 HydrophobicContact CD1-CB 3.95Å
163	K	88.3	Confident	84.9	Confident	88 Å²	88	60 Å²	60	38%	0.383	32%	0.317	S	S	.	.			trans	-97.3	-43	-176.3	-167	148	178.3	162.9	0	112.9	E159 G161 K187 T212 D213 G214	E159-K163 IonicContact OE2-NZ 2.85Å; E159-K163 PolarHBondContact OE2-NZ 2.99Å; G161-K163 PolarHBondContact O-N 3.27Å; G161-K163 VanDerWaalsContact O-N 3.09Å; K163-K187 WeakPolarHBondContact O-CD 3.23Å; K163-K187 PolarHBondContact O-NZ 3.29Å; K163-T212 PolarHBondContact N-O 3.2Å; K163-D213 VanDerWaalsContact CB-C 3.46Å; K163-D213 VanDerWaalsContact CB-O 3.27Å; K163-D213 WeakPolarHBondContact CB-O 3.49Å; K163-G214 PolarHBondContact NZ-O 3.35Å
164	T	90.3	Very high	84.9	Confident	62 Å²	62	56.1 Å²	56.1	38%	0.38	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	169.9	-177.4	-162.9	0	0	0	0	112.3	T212	T164-T212 PolarHBondContact N-O 2.94Å; T164-T212 PolarHBondContact O-N 3.1Å
165	Y	92.6	Very high	84.9	Confident	8 Å²	8	56.6 Å²	56.6	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.5	163.5	-56.6	-96.4	0	0	0	109.5	F128 S151 A152 L162 L177 V179 K187 P189 L209 S210 A211	F128-Y165 HydrophobicContact CE1-CD1 4.38Å; F128-Y165 AromaticContact CE1-CE1 3.99Å; F128-Y165 HydrophobicContact CE1-CE1 3.99Å; F128-Y165 HydrophobicContact CZ-CD1 4.06Å; F128-Y165 HydrophobicContact CZ-CE1 4.03Å; S151-Y165 WeakPolarHBondContact CA-OH 3.26Å; S151-Y165 VanDerWaalsContact CB-OH 3.27Å; S151-Y165 WeakPolarHBondContact CB-OH 3.41Å; A152-Y165 HydrophobicContact CB-CE1 3.88Å; A152-Y165 PolarHBondContact N-OH 3.32Å; L162-Y165 HydrophobicContact CD1-CE1 4.17Å; L162-Y165 HydrophobicContact CD1-CE2 4.28Å; L162-Y165 HydrophobicContact CD2-CE2 4.02Å; L162-Y165 VanDerWaalsContact CD2-OH 3.28Å; L162-Y165 WeakPolarHBondContact CD2-OH 3.4Å; L162-Y165 HydrophobicContact CG-CE2 4.49Å; Y165-L177 VanDerWaalsContact CB-CD2 3.46Å; Y165-V179 HydrophobicContact CD2-CG1 3.85Å; Y165-V179 HydrophobicContact CD2-CG2 3.9Å; Y165-V179 HydrophobicContact CE2-CG1 4.33Å; Y165-V179 HydrophobicContact CG-CG2 4.42Å; Y165-K187 HydrophobicContact CE2-CB 4.16Å; Y165-K187 WeakPolarHBondContact CE2-O 3.4Å; Y165-K187 PolarHBondContact OH-O 2.96Å; Y165-P189 HydrophobicContact CD1-CG 3.82Å; Y165-P189 HydrophobicContact CD2-CB 4.2Å; Y165-P189 HydrophobicContact CD2-CG 3.98Å; Y165-P189 HydrophobicContact CE1-CG 3.79Å; Y165-P189 HydrophobicContact CE2-CG 3.96Å; Y165-P189 HydrophobicContact CG-CB 4.18Å; Y165-P189 HydrophobicContact CG-CG 3.9Å; Y165-L209 HydrophobicContact CD1-CD2 4.48Å; Y165-S210 CarbonylContact C-O 3.53Å; Y165-S210 VanDerWaalsContact CA-O 3.22Å; Y165-S210 WeakPolarHBondContact CA-O 3.45Å; Y165-A211 HydrophobicContact CD1-CB 3.61Å; Y165-A211 HydrophobicContact CE1-CB 3.7Å
166	Q	91.3	Very high	85.1	Confident	121 Å²	121	56.2 Å²	56.2	57%	0.565	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.8	174.9	176.9	171.8	-5.9	0	0	110.1	T168 S210	Q166-T168 PolarHBondContact O-N 3.36Å; Q166-S210 PolarHBondContact N-O 2.93Å; Q166-S210 PolarHBondContact O-N 2.87Å
167	I	90.9	Very high	85.3	Confident	29 Å²	29	57.8 Å²	57.8	15%	0.149	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.6	163.8	-65.1	168	0	0	0	107.5	R169 D170 L177 L191 L207 L209	I167-R169 WeakPolarHBondContact CG2-O 3.47Å; I167-D170 HydrophobicContact CG2-CB 4.1Å; I167-L177 HydrophobicContact CD1-CB 3.96Å; I167-L177 HydrophobicContact CD1-CD1 4.15Å; I167-L177 HydrophobicContact CG1-CB 4.07Å; I167-L177 HydrophobicContact CG1-CD1 4.12Å; I167-L177 HydrophobicContact CG1-CD2 4.44Å; I167-L177 HydrophobicContact CG1-CG 4.46Å; I167-L191 HydrophobicContact CD1-CD1 3.76Å; I167-L207 HydrophobicContact CG2-CB 4.44Å; I167-L209 HydrophobicContact CG1-CD1 4.45Å
168	T	83.2	Confident	85.7	Confident	81 Å²	81	60.6 Å²	60.6	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-16.2	-178.1	56.8	0	0	0	0	112.8	Q166 I208	Q166-T168 PolarHBondContact O-N 3.36Å; T168-I208 PolarHBondContact N-O 3.37Å; T168-I208 WeakPolarHBondContact OG1-CB 3.38Å; T168-I208 WeakPolarHBondContact OG1-CG2 3.25Å; T168-I208 PolarHBondContact OG1-O 2.8Å
169	R	79.3	Confident	86.2	Confident	108 Å²	108	59.5 Å²	59.5	41%	0.408	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	113.6	169.7	-175	179.7	-179.1	-170.6	-5.5	109.8	I167 D171 L207 I208	I167-R169 WeakPolarHBondContact CG2-O 3.47Å; R169-D171 VanDerWaalsContact CG-OD1 3.22Å; R169-D171 WeakPolarHBondContact CG-OD1 3.34Å; R169-D171 IonicContact CZ-OD1 3.51Å; R169-D171 IonicContact CZ-OD2 2.68Å; R169-D171 IonicContact NE-OD1 3.5Å; R169-D171 PolarHBondContact NE-OD1 3.39Å; R169-D171 IonicContact NE-OD2 3.68Å; R169-D171 PolarHBondContact NE-OD2 2.75Å; R169-D171 IonicContact NH2-OD1 2.68Å; R169-D171 IonicContact NH2-OD2 2.69Å; R169-D171 PolarHBondContact NH2-OD2 2.89Å; R169-L207 VanDerWaalsContact O-CA 3.25Å; R169-L207 WeakPolarHBondContact O-CA 3.22Å; R169-L207 WeakPolarHBondContact O-CB 3.47Å; R169-I208 HydrophobicContact CB-CB 4.05Å; R169-I208 HydrophobicContact CB-CD1 4.06Å; R169-I208 HydrophobicContact CB-CG1 3.98Å; R169-I208 PolarHBondContact O-N 2.86Å
170	D	74.8	Confident	86.4	Confident	34 Å²	34	56.4 Å²	56.4	18%	0.182	28%	0.282	C	S	.	.			trans	-131.6	114.7	153.9	178.1	-14.9	0	0	0	105	I167 Y172 N173 L174 F175 L207	I167-D170 HydrophobicContact CG2-CB 4.1Å; D170-Y172 PolarHBondContact O-N 2.87Å; D170-Y172 PolarHBondContact OD1-N 2.88Å; D170-N173 VanDerWaalsContact CG-N 3.26Å; D170-N173 PolarHBondContact OD1-N 2.86Å; D170-N173 VanDerWaalsContact OD2-CA 3.28Å; D170-N173 WeakPolarHBondContact OD2-CA 3.31Å; D170-N173 PolarHBondContact OD2-N 2.82Å; D170-L174 PolarHBondContact OD2-N 3Å; D170-L174 VanDerWaalsContact OD2-N 3.1Å; D170-F175 PolarHBondContact OD2-N 2.75Å; D170-L207 HydrophobicContact CB-CD2 3.92Å
171	D	68.9	Low	86.4	Confident	73 Å²	73	58.6 Å²	58.6	39%	0.39	30%	0.3	S	S	.	.	S	Bend	trans	-74.9	-11.6	-175	-68	-7.2	0	0	0	112.4	R169	R169-D171 VanDerWaalsContact CG-OD1 3.22Å; R169-D171 WeakPolarHBondContact CG-OD1 3.34Å; R169-D171 IonicContact CZ-OD1 3.51Å; R169-D171 IonicContact CZ-OD2 2.68Å; R169-D171 IonicContact NE-OD1 3.5Å; R169-D171 PolarHBondContact NE-OD1 3.39Å; R169-D171 IonicContact NE-OD2 3.68Å; R169-D171 PolarHBondContact NE-OD2 2.75Å; R169-D171 IonicContact NH2-OD1 2.68Å; R169-D171 IonicContact NH2-OD2 2.69Å; R169-D171 PolarHBondContact NH2-OD2 2.89Å
172	Y	76.4	Confident	86.2	Confident	107 Å²	107	65.7 Å²	65.7	42%	0.42	32%	0.324	S	S	.	.	S	Bend	trans	-133.5	-11.4	-168.8	-65.7	-82.5	0	0	0	115.5	D170 L174 R202	D170-Y172 PolarHBondContact O-N 2.87Å; D170-Y172 PolarHBondContact OD1-N 2.88Å; Y172-L174 VanDerWaalsContact C-N 3.29Å; Y172-R202 PolarHBondContact OH-NH1 2.89Å
173	N	82.6	Confident	85.4	Confident	110 Å²	110	68.7 Å²	68.7	59%	0.588	36%	0.362	S	S	*	.	S	Bend	trans	60.9	36.2	-174.2	-49.7	-100.3	0	0	0	112.6	D170	D170-N173 VanDerWaalsContact CG-N 3.26Å; D170-N173 PolarHBondContact OD1-N 2.86Å; D170-N173 VanDerWaalsContact OD2-CA 3.28Å; D170-N173 WeakPolarHBondContact OD2-CA 3.31Å; D170-N173 PolarHBondContact OD2-N 2.82Å
174	L	88.2	Confident	84.6	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.131	37%	0.369	C	S	.	.			trans	-83.8	-25	174.6	-64.7	171.3	0	0	0	111.1	D170 Y172 Q194 R195 L197 H205	D170-L174 PolarHBondContact OD2-N 3Å; D170-L174 VanDerWaalsContact OD2-N 3.1Å; Y172-L174 VanDerWaalsContact C-N 3.29Å; L174-Q194 PolarHBondContact O-N 2.9Å; L174-R195 HydrophobicContact CD2-CB 3.89Å; L174-L197 HydrophobicContact CB-CD2 4.06Å; L174-L197 HydrophobicContact CD1-CD2 4.07Å; L174-L197 HydrophobicContact CG-CD2 4.47Å; L174-H205 WeakPolarHBondContact CD1-CE1 3.32Å
175	F	91.3	Very high	83.8	Confident	12 Å²	12	68.9 Å²	68.9	5%	0.053	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	162.8	-175.5	-56.6	-84.5	0	0	0	111.5	I137 D170 L191 I193 L197 H205 L207 V227	I137-F175 HydrophobicContact CD1-CE1 4.24Å; D170-F175 PolarHBondContact OD2-N 2.75Å; F175-L191 HydrophobicContact CB-CD1 3.94Å; F175-L191 HydrophobicContact CD1-CD1 4.31Å; F175-L191 HydrophobicContact CD1-CD2 3.97Å; F175-L191 HydrophobicContact CD1-CG 4.07Å; F175-L191 HydrophobicContact CE1-CD2 4.39Å; F175-L191 HydrophobicContact CG-CD1 4.39Å; F175-I193 HydrophobicContact CD1-CG1 4.47Å; F175-I193 HydrophobicContact CE1-CG1 4.36Å; F175-L197 HydrophobicContact CE1-CD1 4.23Å; F175-L197 HydrophobicContact CE1-CD2 4.22Å; F175-L197 HydrophobicContact CE2-CD2 4.2Å; F175-L197 HydrophobicContact CZ-CD1 4.07Å; F175-L197 HydrophobicContact CZ-CD2 3.65Å; F175-H205 HydrophobicContact CE2-CB 4.16Å; F175-H205 AromaticContact CE2-CD2 3.98Å; F175-H205 AromaticContact CE2-CG 3.97Å; F175-L207 HydrophobicContact CB-CD1 3.9Å; F175-L207 HydrophobicContact CD1-CD1 4.45Å; F175-L207 HydrophobicContact CD2-CD1 3.79Å; F175-L207 HydrophobicContact CD2-CD2 3.98Å; F175-L207 HydrophobicContact CD2-CG 4.41Å; F175-L207 HydrophobicContact CE2-CD1 4.47Å; F175-L207 HydrophobicContact CG-CD1 3.78Å; F175-V227 HydrophobicContact CE1-CG1 4.41Å; F175-V227 HydrophobicContact CE1-CG2 4.37Å; F175-V227 HydrophobicContact CZ-CB 4.35Å; F175-V227 HydrophobicContact CZ-CG1 3.98Å; F175-V227 HydrophobicContact CZ-CG2 4.17Å
176	S	90.9	Very high	83.2	Confident	28 Å²	28	71.2 Å²	71.2	20%	0.196	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	171.5	173.8	62.1	0	0	0	0	109.8	V192 Q194	S176-V192 PolarHBondContact N-O 3.02Å; S176-V192 PolarHBondContact O-N 2.91Å; S176-V192 PolarHBondContact OG-O 2.86Å; S176-Q194 WeakPolarHBondContact OG-CG 3.4Å; S176-Q194 PolarHBondContact OG-NE2 3.06Å
177	L	92.6	Very high	83	Confident	40 Å²	40	68.3 Å²	68.3	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.2	-177.9	-158.7	75.1	0	0	0	110.1	L149 Y165 I167 V179 P189 L209	L149-L177 HydrophobicContact CD1-CD1 3.84Å; Y165-L177 VanDerWaalsContact CB-CD2 3.46Å; I167-L177 HydrophobicContact CD1-CB 3.96Å; I167-L177 HydrophobicContact CD1-CD1 4.15Å; I167-L177 HydrophobicContact CG1-CB 4.07Å; I167-L177 HydrophobicContact CG1-CD1 4.12Å; I167-L177 HydrophobicContact CG1-CD2 4.44Å; I167-L177 HydrophobicContact CG1-CG 4.46Å; L177-V179 HydrophobicContact CD2-CG2 4.29Å; L177-P189 HydrophobicContact CD1-CB 3.8Å; L177-P189 HydrophobicContact CD2-CB 4.32Å; L177-P189 HydrophobicContact CG-CB 4.13Å; L177-L209 HydrophobicContact CD1-CD1 3.73Å; L177-L209 HydrophobicContact CD2-CD1 3.48Å; L177-L209 VanDerWaalsContact CD2-CD1 3.48Å; L177-L209 HydrophobicContact CG-CD1 4.28Å
178	E	91.6	Very high	82.8	Confident	74 Å²	74	69.7 Å²	69.7	35%	0.346	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.7	168.2	-164.5	-178.8	108.2	0	0	109.4	R146 K180 E190 V192	R146-E178 IonicContact CZ-OE1 2.72Å; R146-E178 IonicContact CZ-OE2 2.64Å; R146-E178 VanDerWaalsContact CZ-OE2 3.3Å; R146-E178 IonicContact NH1-OE1 3.13Å; R146-E178 PolarHBondContact NH1-OE1 3.22Å; R146-E178 IonicContact NH1-OE2 3.86Å; R146-E178 PolarHBondContact NH1-OE2 2.96Å; R146-E178 VanDerWaalsContact NH1-OE2 3.1Å; R146-E178 IonicContact NH2-OE1 3.61Å; R146-E178 IonicContact NH2-OE2 2.91Å; R146-E178 PolarHBondContact NH2-OE2 3.42Å; E178-K180 WeakPolarHBondContact OE1-CE 3.42Å; E178-K180 IonicContact OE1-NZ 2.72Å; E178-E190 PolarHBondContact N-O 2.93Å; E178-E190 PolarHBondContact O-N 2.86Å; E178-V192 HydrophobicContact CB-CG2 3.98Å
179	V	91.9	Very high	83.3	Confident	47 Å²	47	65.8 Å²	65.8	29%	0.285	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	109.9	179.1	-178.9	0	0	0	0	109.2	Y165 L177 K187	Y165-V179 HydrophobicContact CD2-CG1 3.85Å; Y165-V179 HydrophobicContact CD2-CG2 3.9Å; Y165-V179 HydrophobicContact CE2-CG1 4.33Å; Y165-V179 HydrophobicContact CG-CG2 4.42Å; L177-V179 HydrophobicContact CD2-CG2 4.29Å; V179-K187 HydrophobicContact CG1-CB 4.11Å
180	K	88	Confident	84	Confident	66 Å²	66	61.8 Å²	61.8	29%	0.287	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	145.6	176.4	-72.1	-178.1	-175.6	165.8	0	110.9	R146 E178 K187 F188 E190	R146-K180 VanDerWaalsContact NH1-CE 3.29Å; R146-K180 VanDerWaalsContact NH1-NZ 3.13Å; E178-K180 WeakPolarHBondContact OE1-CE 3.42Å; E178-K180 IonicContact OE1-NZ 2.72Å; K180-K187 WeakPolarHBondContact O-CA 3.48Å; K180-F188 HydrophobicContact CB-CD1 4.36Å; K180-F188 HydrophobicContact CB-CD2 4.31Å; K180-F188 HydrophobicContact CB-CE1 3.79Å; K180-F188 HydrophobicContact CB-CE2 3.75Å; K180-F188 HydrophobicContact CB-CZ 3.46Å; K180-F188 VanDerWaalsContact CB-CZ 3.46Å; K180-F188 HydrophobicContact CD-CE2 4.08Å; K180-F188 HydrophobicContact CD-CZ 4.06Å; K180-F188 HydrophobicContact CG-CE2 4.47Å; K180-F188 HydrophobicContact CG-CZ 4.39Å; K180-F188 PolarHBondContact N-O 2.62Å; K180-F188 PolarHBondContact O-N 2.95Å; K180-E190 WeakPolarHBondContact CD-OE1 3.27Å; K180-E190 WeakPolarHBondContact CE-OE1 2.99Å; K180-E190 WeakPolarHBondContact CE-OE2 3.42Å; K180-E190 IonicContact NZ-OE1 2.83Å; K180-E190 PolarHBondContact NZ-OE1 2.89Å; K180-E190 IonicContact NZ-OE2 3.19Å; K180-E190 PolarHBondContact NZ-OE2 2.7Å
181	S	87	Confident	84.9	Confident	79 Å²	79	60.2 Å²	60.2	55%	0.552	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.9	172.4	-57.4	0	0	0	0	109.4	T186	S181-T186 WeakPolarHBondContact CA-O 3.5Å
182	R	80.6	Confident	86	Confident	158 Å²	158	57.1 Å²	57.1	60%	0.596	32%	0.32	S	S	*	.			trans	-78.5	159.4	170	177.3	-179.4	-78.9	-173.9	-1.1	109.6	D184 G185 T186 F188	R182-D184 VanDerWaalsContact CB-OD1 3.31Å; R182-D184 WeakPolarHBondContact CB-OD1 3.18Å; R182-D184 WeakPolarHBondContact CD-OD1 3.43Å; R182-D184 WeakPolarHBondContact CD-OD2 3.01Å; R182-D184 VanDerWaalsContact CG-OD1 3.32Å; R182-D184 WeakPolarHBondContact CG-OD1 3.49Å; R182-D184 PolarHBondContact O-N 2.92Å; R182-G185 PolarHBondContact O-N 2.66Å; R182-T186 PolarHBondContact N-O 2.88Å; R182-F188 HydrophobicContact CB-CE1 4.27Å
183	G	72.4	Confident	86.8	Confident	93 Å²	93	52 Å²	52	96%	0.959	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.8	-179.1	0	0	0	0	0	116.3
184	D	72.4	Confident	87.1	Confident	100 Å²	100	52 Å²	52	54%	0.535	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.6	170	55	18.1	0	0	0	112.9	R182 T186	R182-D184 VanDerWaalsContact CB-OD1 3.31Å; R182-D184 WeakPolarHBondContact CB-OD1 3.18Å; R182-D184 WeakPolarHBondContact CD-OD1 3.43Å; R182-D184 WeakPolarHBondContact CD-OD2 3.01Å; R182-D184 VanDerWaalsContact CG-OD1 3.32Å; R182-D184 WeakPolarHBondContact CG-OD1 3.49Å; R182-D184 PolarHBondContact O-N 2.92Å; D184-T186 VanDerWaalsContact C-N 3.35Å; D184-T186 WeakPolarHBondContact OD1-CB 3.39Å; D184-T186 WeakPolarHBondContact OD1-CG2 3.35Å; D184-T186 PolarHBondContact OD1-N 2.87Å; D184-T186 PolarHBondContact OD1-OG1 3.44Å
185	G	73.8	Confident	87.2	Confident	53 Å²	53	57.5 Å²	57.5	55%	0.546	32%	0.316	S	S	.	.	S	Bend	trans	87.1	-6.2	-176.1	0	0	0	0	0	114.6	R182	R182-G185 PolarHBondContact O-N 2.66Å
186	T	80	Confident	87.2	Confident	57 Å²	57	61.3 Å²	61.3	35%	0.35	34%	0.342	S	S	.	.			trans	-71.4	134.8	-179.1	61.3	0	0	0	0	111.8	S181 R182 D184	S181-T186 WeakPolarHBondContact CA-O 3.5Å; R182-T186 PolarHBondContact N-O 2.88Å; D184-T186 VanDerWaalsContact C-N 3.35Å; D184-T186 WeakPolarHBondContact OD1-CB 3.39Å; D184-T186 WeakPolarHBondContact OD1-CG2 3.35Å; D184-T186 PolarHBondContact OD1-N 2.87Å; D184-T186 PolarHBondContact OD1-OG1 3.44Å
187	K	85.3	Confident	87.3	Confident	61 Å²	61	60.6 Å²	60.6	27%	0.265	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.5	-178.7	-66.4	176.6	-176.2	166.2	0	110.8	L162 K163 Y165 V179 K180	L162-K187 HydrophobicContact CD2-CB 4.25Å; K163-K187 WeakPolarHBondContact O-CD 3.23Å; K163-K187 PolarHBondContact O-NZ 3.29Å; Y165-K187 HydrophobicContact CE2-CB 4.16Å; Y165-K187 WeakPolarHBondContact CE2-O 3.4Å; Y165-K187 PolarHBondContact OH-O 2.96Å; V179-K187 HydrophobicContact CG1-CB 4.11Å; K180-K187 WeakPolarHBondContact O-CA 3.48Å
188	F	88.8	Confident	87.3	Confident	57 Å²	57	62.2 Å²	62.2	25%	0.25	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.4	176.8	61.7	-83.8	0	0	0	110.7	K180 R182 E190	K180-F188 HydrophobicContact CB-CD1 4.36Å; K180-F188 HydrophobicContact CB-CD2 4.31Å; K180-F188 HydrophobicContact CB-CE1 3.79Å; K180-F188 HydrophobicContact CB-CE2 3.75Å; K180-F188 HydrophobicContact CB-CZ 3.46Å; K180-F188 VanDerWaalsContact CB-CZ 3.46Å; K180-F188 HydrophobicContact CD-CE2 4.08Å; K180-F188 HydrophobicContact CD-CZ 4.06Å; K180-F188 HydrophobicContact CG-CE2 4.47Å; K180-F188 HydrophobicContact CG-CZ 4.39Å; K180-F188 PolarHBondContact N-O 2.62Å; K180-F188 PolarHBondContact O-N 2.95Å; R182-F188 HydrophobicContact CB-CE1 4.27Å; F188-E190 HydrophobicContact CE2-CG 4.44Å
189	P	92.9	Very high	87.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.6	175.9	18.6	-3.5	0	0	0	112	L149 Y165 L177 L209	L149-P189 HydrophobicContact CB-CB 4.24Å; L149-P189 HydrophobicContact CB-CG 3.92Å; L149-P189 HydrophobicContact CD1-CB 4.26Å; L149-P189 PolarHBondContact N-O 2.91Å; Y165-P189 HydrophobicContact CD1-CG 3.82Å; Y165-P189 HydrophobicContact CD2-CB 4.2Å; Y165-P189 HydrophobicContact CD2-CG 3.98Å; Y165-P189 HydrophobicContact CE1-CG 3.79Å; Y165-P189 HydrophobicContact CE2-CG 3.96Å; Y165-P189 HydrophobicContact CG-CB 4.18Å; Y165-P189 HydrophobicContact CG-CG 3.9Å; L177-P189 HydrophobicContact CD1-CB 3.8Å; L177-P189 HydrophobicContact CD2-CB 4.32Å; L177-P189 HydrophobicContact CG-CB 4.13Å; P189-L209 HydrophobicContact CG-CD2 4.2Å
190	E	93.3	Very high	87.6	Confident	24 Å²	24	61.3 Å²	61.3	11%	0.112	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.2	160.9	-68.2	175.9	-179.6	0	0	108.6	R146 F147 E178 K180 F188 V192	R146-E190 WeakPolarHBondContact CD-OE2 3.31Å; R146-E190 IonicContact CZ-OE2 3.34Å; R146-E190 IonicContact NH1-OE2 2.64Å; R146-E190 PolarHBondContact NH1-OE2 3.02Å; F147-E190 CarbonylContact O-C 3.53Å; F147-E190 WeakPolarHBondContact O-CA 3.09Å; E178-E190 PolarHBondContact N-O 2.93Å; E178-E190 PolarHBondContact O-N 2.86Å; K180-E190 WeakPolarHBondContact CD-OE1 3.27Å; K180-E190 WeakPolarHBondContact CE-OE1 2.99Å; K180-E190 WeakPolarHBondContact CE-OE2 3.42Å; K180-E190 IonicContact NZ-OE1 2.83Å; K180-E190 PolarHBondContact NZ-OE1 2.89Å; K180-E190 IonicContact NZ-OE2 3.19Å; K180-E190 PolarHBondContact NZ-OE2 2.7Å; F188-E190 HydrophobicContact CE2-CG 4.44Å; E190-V192 HydrophobicContact CB-CG2 4.32Å
191	L	93.3	Very high	87.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.3	165.8	-169.6	69.4	0	0	0	107.9	I137 R146 F147 L149 I167 F175 L207 V227	I137-L191 HydrophobicContact CD1-CD2 4.43Å; R146-L191 CarbonylContact C-O 3.59Å; R146-L191 WeakPolarHBondContact CA-O 3.22Å; F147-L191 HydrophobicContact CB-CB 4.31Å; F147-L191 PolarHBondContact N-O 2.8Å; F147-L191 PolarHBondContact O-N 3.29Å; L149-L191 HydrophobicContact CD1-CB 3.99Å; L149-L191 HydrophobicContact CD2-CB 4.28Å; L149-L191 HydrophobicContact CG-CB 4.13Å; I167-L191 HydrophobicContact CD1-CD1 3.76Å; F175-L191 HydrophobicContact CB-CD1 3.94Å; F175-L191 HydrophobicContact CD1-CD1 4.31Å; F175-L191 HydrophobicContact CD1-CD2 3.97Å; F175-L191 HydrophobicContact CD1-CG 4.07Å; F175-L191 HydrophobicContact CE1-CD2 4.39Å; F175-L191 HydrophobicContact CG-CD1 4.39Å; L191-L207 HydrophobicContact CD1-CD1 3.83Å; L191-L207 HydrophobicContact CD2-CD1 4.4Å; L191-V227 HydrophobicContact CD2-CG2 4.35Å
192	V	92.7	Very high	88	Confident	8 Å²	8	66.4 Å²	66.4	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122	-177.7	-173.4	0	0	0	0	109.7	T145 R146 S176 E178 E190 Q194	T145-V192 WeakPolarHBondContact O-CA 3.49Å; R146-V192 HydrophobicContact CG-CG1 4.34Å; R146-V192 HydrophobicContact CG-CG2 4.09Å; S176-V192 PolarHBondContact N-O 3.02Å; S176-V192 PolarHBondContact O-N 2.91Å; S176-V192 PolarHBondContact OG-O 2.86Å; E178-V192 HydrophobicContact CB-CG2 3.98Å; E190-V192 HydrophobicContact CB-CG2 4.32Å; V192-Q194 PolarHBondContact O-N 2.81Å
193	I	92.9	Very high	88.5	Confident	1 Å²	1	61 Å²	61	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	127.7	176.4	-61.9	-177.2	0	0	0	109.1	I137 A141 G144 T145 F147 F175 R195 L197	I137-I193 HydrophobicContact CG2-CD1 3.88Å; A141-I193 HydrophobicContact CB-CD1 3.52Å; G144-I193 PolarHBondContact N-O 3.47Å; T145-I193 PolarHBondContact O-N 3.29Å; T145-I193 VanDerWaalsContact O-N 3.08Å; F147-I193 HydrophobicContact CE2-CD1 3.85Å; F147-I193 HydrophobicContact CE2-CG1 4.19Å; F175-I193 HydrophobicContact CD1-CG1 4.47Å; F175-I193 HydrophobicContact CE1-CG1 4.36Å; I193-R195 WeakPolarHBondContact CG2-O 3.28Å; I193-L197 HydrophobicContact CD1-CD1 4.24Å
194	Q	90.5	Very high	89.5	Confident	110 Å²	110	61.5 Å²	61.5	51%	0.514	31%	0.312	S	S	.	.			trans	-99.5	-26.2	178.3	-75.9	-68.7	-33.3	0	0	113.5	L174 S176 V192	L174-Q194 PolarHBondContact O-N 2.9Å; S176-Q194 WeakPolarHBondContact OG-CG 3.4Å; S176-Q194 PolarHBondContact OG-NE2 3.06Å; V192-Q194 PolarHBondContact O-N 2.81Å
195	R	89.7	Confident	90.3	Very high	140 Å²	140	57.3 Å²	57.3	53%	0.528	29%	0.289	S	S	.	.	S	Bend	trans	-140.3	156.9	-176.3	-65.1	-179.2	178.5	179.6	1.4	109.2	L174 I193	L174-R195 HydrophobicContact CD2-CB 3.89Å; I193-R195 WeakPolarHBondContact CG2-O 3.28Å
196	P	91.3	Very high	91.2	Very high	92 Å²	92	57.3 Å²	57.3	60%	0.597	28%	0.278	S	S	*	.			trans	-51.2	148	169.7	-24.1	34.8	0	0	0	110.8	P143	P143-P196 HydrophobicContact CG-CG 4.07Å
197	L	92.7	Very high	91.8	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	26%	0.262	C	S	.	.			trans	-96.3	165.9	166.3	-56.4	176.4	0	0	0	108	I137 E139 L174 F175 I193 V229	I137-L197 HydrophobicContact CB-CD1 4.42Å; I137-L197 HydrophobicContact CG2-CD1 3.72Å; E139-L197 HydrophobicContact CB-CB 4.12Å; L174-L197 HydrophobicContact CB-CD2 4.06Å; L174-L197 HydrophobicContact CD1-CD2 4.07Å; L174-L197 HydrophobicContact CG-CD2 4.47Å; F175-L197 HydrophobicContact CE1-CD1 4.23Å; F175-L197 HydrophobicContact CE1-CD2 4.22Å; F175-L197 HydrophobicContact CE2-CD2 4.2Å; F175-L197 HydrophobicContact CZ-CD1 4.07Å; F175-L197 HydrophobicContact CZ-CD2 3.65Å; I193-L197 HydrophobicContact CD1-CD1 4.24Å; L197-V229 HydrophobicContact CB-CG1 4.47Å
198	D	93.4	Very high	92.1	Very high	74 Å²	74	54 Å²	54	40%	0.396	26%	0.261	S	S	.	.			trans	-156.6	111.1	-172.8	177	-37.2	0	0	0	105.5	E200 E201 R202	D198-E200 PolarHBondContact OD1-N 2.85Å; D198-E201 HydrophobicContact CB-CB 4.25Å; D198-E201 WeakPolarHBondContact OD1-CB 3.34Å; D198-E201 PolarHBondContact OD1-N 2.9Å; D198-R202 CarbonylContact O-C 3.46Å; D198-R202 PolarHBondContact O-N 2.96Å
199	R	94.8	Very high	92.3	Very high	37 Å²	37	51.3 Å²	51.3	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-76.9	-29.3	-175.2	-175.5	-146.5	67.6	113.9	-0	111.3	E139 R202 S203 V229 D231 P266 E268	E139-R199 WeakPolarHBondContact OE2-CB 3.27Å; E139-R199 PolarHBondContact OE2-N 2.88Å; E139-R199 VanDerWaalsContact OE2-N 3.11Å; R199-R202 CarbonylContact O-C 3.5Å; R199-R202 PolarHBondContact O-N 2.97Å; R199-S203 PolarHBondContact O-N 2.88Å; R199-V229 HydrophobicContact CB-CB 4.21Å; R199-V229 HydrophobicContact CB-CG1 3.85Å; R199-V229 HydrophobicContact CG-CB 4.31Å; R199-V229 HydrophobicContact CG-CG1 4.41Å; R199-D231 WeakPolarHBondContact CD-OD1 3.14Å; R199-D231 IonicContact CZ-OD1 3.72Å; R199-D231 VanDerWaalsContact CZ-OD1 3.28Å; R199-D231 IonicContact NE-OD1 3.83Å; R199-D231 PolarHBondContact NE-OD1 2.84Å; R199-D231 IonicContact NH1-OD1 2.77Å; R199-D231 IonicContact NH2-OD1 3.83Å; R199-P266 PolarHBondContact NH2-O 2.74Å; R199-E268 IonicContact CZ-OE2 3.6Å; R199-E268 IonicContact NH1-OE2 3.53Å; R199-E268 PolarHBondContact NH1-OE2 2.98Å
200	E	94.4	Very high	92.3	Very high	65 Å²	65	51.9 Å²	51.9	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-68.8	-41	-179.8	-68.3	57	-116.4	0	0	111	D198 P266	D198-E200 PolarHBondContact OD1-N 2.85Å; E200-P266 HydrophobicContact CG-CB 3.88Å; E200-P266 HydrophobicContact CG-CG 4.07Å
201	E	91.6	Very high	92.3	Very high	163 Å²	163	50.7 Å²	50.7	76%	0.762	25%	0.248	S	C	*	.	H	α-helix	trans	-68.3	-48.5	164.3	-175.1	175.8	-146.9	0	0	109.9	D198	D198-E201 HydrophobicContact CB-CB 4.25Å; D198-E201 WeakPolarHBondContact OD1-CB 3.34Å; D198-E201 PolarHBondContact OD1-N 2.9Å
202	R	90.8	Very high	92.3	Very high	90 Å²	90	52.1 Å²	52.1	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-160.7	96.7	-175.6	-164.3	166.7	-176.5	137.6	-7	117.6	Y172 D198 R199 H204 V229	Y172-R202 PolarHBondContact OH-NH1 2.89Å; D198-R202 CarbonylContact O-C 3.46Å; D198-R202 PolarHBondContact O-N 2.96Å; R199-R202 CarbonylContact O-C 3.5Å; R199-R202 PolarHBondContact O-N 2.97Å; R202-H204 WeakPolarHBondContact CG-O 3.47Å; R202-H204 PolarHBondContact NE-O 2.74Å; R202-H204 PolarHBondContact O-N 2.84Å; R202-V229 WeakPolarHBondContact O-CG2 3.42Å
203	S	91.8	Very high	92.2	Very high	45 Å²	45	52 Å²	52	32%	0.315	26%	0.255	S	S	.	.	S	Bend	trans	-61	-13.7	172.7	64.3	0	0	0	0	117.8	R199 V229	R199-S203 PolarHBondContact O-N 2.88Å; S203-V229 PolarHBondContact O-N 2.86Å
204	H	92.8	Very high	91.9	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.477	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.3	-174.3	-77.8	-71.2	0	0	0	115.4	R202 V227	R202-H204 WeakPolarHBondContact CG-O 3.47Å; R202-H204 PolarHBondContact NE-O 2.74Å; R202-H204 PolarHBondContact O-N 2.84Å; H204-V227 WeakPolarHBondContact CA-O 3.33Å
205	H	90.7	Very high	91.6	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.1	172.3	-47.3	-88.8	0	0	0	111.8	L174 F175 V227	L174-H205 WeakPolarHBondContact CD1-CE1 3.32Å; F175-H205 HydrophobicContact CE2-CB 4.16Å; F175-H205 AromaticContact CE2-CD2 3.98Å; F175-H205 AromaticContact CE2-CG 3.97Å; H205-V227 HydrophobicContact CB-CB 4.3Å; H205-V227 PolarHBondContact N-O 2.73Å; H205-V227 PolarHBondContact O-N 2.78Å
206	T	91.4	Very high	91.2	Very high	53 Å²	53	49.3 Å²	49.3	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.7	176.3	-53	0	0	0	0	109.1	Q224 I225	T206-Q224 HydrophobicContact CG2-CG 3.6Å; T206-I225 WeakPolarHBondContact CA-O 3.31Å
207	L	91.9	Very high	91	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	157.3	178.9	-44.4	173.6	0	0	0	110.1	I167 R169 D170 F175 L191 I225 V227	I167-L207 HydrophobicContact CG2-CB 4.44Å; R169-L207 VanDerWaalsContact O-CA 3.25Å; R169-L207 WeakPolarHBondContact O-CA 3.22Å; R169-L207 WeakPolarHBondContact O-CB 3.47Å; D170-L207 HydrophobicContact CB-CD2 3.92Å; F175-L207 HydrophobicContact CB-CD1 3.9Å; F175-L207 HydrophobicContact CD1-CD1 4.45Å; F175-L207 HydrophobicContact CD2-CD1 3.79Å; F175-L207 HydrophobicContact CD2-CD2 3.98Å; F175-L207 HydrophobicContact CD2-CG 4.41Å; F175-L207 HydrophobicContact CE2-CD1 4.47Å; F175-L207 HydrophobicContact CG-CD1 3.78Å; L191-L207 HydrophobicContact CD1-CD1 3.83Å; L191-L207 HydrophobicContact CD2-CD1 4.4Å; L207-I225 HydrophobicContact CB-CB 4.21Å; L207-I225 PolarHBondContact N-O 2.96Å; L207-I225 PolarHBondContact O-N 2.88Å; L207-V227 HydrophobicContact CD1-CG2 4.38Å
208	I	92.1	Very high	90.7	Very high	49 Å²	49	56.9 Å²	56.9	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.5	174	-56.8	174.4	0	0	0	109.2	T168 R169 T222	T168-I208 PolarHBondContact N-O 3.37Å; T168-I208 WeakPolarHBondContact OG1-CB 3.38Å; T168-I208 WeakPolarHBondContact OG1-CG2 3.25Å; T168-I208 PolarHBondContact OG1-O 2.8Å; R169-I208 HydrophobicContact CB-CB 4.05Å; R169-I208 HydrophobicContact CB-CD1 4.06Å; R169-I208 HydrophobicContact CB-CG1 3.98Å; R169-I208 PolarHBondContact O-N 2.86Å; I208-T222 HydrophobicContact CG2-CG2 4.37Å
209	L	93.2	Very high	90.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.1	174.4	-176.7	69.6	0	0	0	109.6	F128 L149 Y165 I167 L177 P189 T222 M223 I225	F128-L209 HydrophobicContact CE1-CD2 3.56Å; F128-L209 HydrophobicContact CE1-CG 4.37Å; F128-L209 HydrophobicContact CZ-CD2 3.5Å; F128-L209 VanDerWaalsContact CZ-CD2 3.5Å; F128-L209 HydrophobicContact CZ-CG 3.8Å; L149-L209 HydrophobicContact CD1-CD2 4.14Å; Y165-L209 HydrophobicContact CD1-CD2 4.48Å; I167-L209 HydrophobicContact CG1-CD1 4.45Å; L177-L209 HydrophobicContact CD1-CD1 3.73Å; L177-L209 HydrophobicContact CD2-CD1 3.48Å; L177-L209 VanDerWaalsContact CD2-CD1 3.48Å; L177-L209 HydrophobicContact CG-CD1 4.28Å; P189-L209 HydrophobicContact CG-CD2 4.2Å; L209-T222 CarbonylContact O-C 3.6Å; L209-T222 VanDerWaalsContact O-CA 3.23Å; L209-T222 WeakPolarHBondContact O-CA 3.23Å; L209-M223 HydrophobicContact CD2-CE 3.88Å; L209-M223 PolarHBondContact N-O 3.36Å; L209-M223 PolarHBondContact O-N 3.46Å; L209-I225 HydrophobicContact CB-CD1 4.1Å; L209-I225 HydrophobicContact CB-CG1 4.44Å
210	S	93.1	Very high	90.4	Very high	11 Å²	11	59.3 Å²	59.3	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.8	168.7	-174.4	0	0	0	0	109.8	Y165 Q166 G221	Y165-S210 CarbonylContact C-O 3.53Å; Y165-S210 VanDerWaalsContact CA-O 3.22Å; Y165-S210 WeakPolarHBondContact CA-O 3.45Å; Q166-S210 PolarHBondContact N-O 2.93Å; Q166-S210 PolarHBondContact O-N 2.87Å; S210-G221 WeakPolarHBondContact CA-O 3.4Å
211	A	93.4	Very high	90.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	165.1	0	0	0	0	0	108.4	P126 F128 A152 L162 Y165 S220 G221	P126-A211 HydrophobicContact CB-CB 3.71Å; F128-A211 HydrophobicContact CE1-CB 4.47Å; F128-A211 HydrophobicContact CE2-CB 3.69Å; F128-A211 HydrophobicContact CZ-CB 3.58Å; A152-A211 HydrophobicContact CB-CB 3.45Å; A152-A211 VanDerWaalsContact CB-CB 3.45Å; L162-A211 HydrophobicContact CD1-CB 3.95Å; Y165-A211 HydrophobicContact CD1-CB 3.61Å; Y165-A211 HydrophobicContact CE1-CB 3.7Å; A211-S220 CarbonylContact O-C 3.56Å; A211-S220 WeakPolarHBondContact O-CA 3.34Å; A211-S220 VanDerWaalsContact O-CB 3.22Å; A211-S220 WeakPolarHBondContact O-CB 3.28Å; A211-S220 PolarHBondContact O-OG 3.38Å; A211-G221 PolarHBondContact N-O 2.68Å; A211-G221 PolarHBondContact O-N 3.09Å; A211-G221 VanDerWaalsContact O-N 3.09Å
212	T	92.3	Very high	90.4	Very high	30 Å²	30	53.4 Å²	53.4	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133	-172.6	-56.5	0	0	0	0	109.8	K163 T164 P218 S220	K163-T212 PolarHBondContact N-O 3.2Å; T164-T212 PolarHBondContact N-O 2.94Å; T164-T212 PolarHBondContact O-N 3.1Å; T212-P218 HydrophobicContact CG2-CB 4.15Å; T212-S220 WeakPolarHBondContact CA-OG 3.44Å; T212-S220 WeakPolarHBondContact CB-OG 3.26Å; T212-S220 WeakPolarHBondContact CG2-OG 3.24Å; T212-S220 PolarHBondContact OG1-OG 3.41Å
213	D	91.3	Very high	90.5	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.262	C	S	.	.			trans	-78.9	-169.5	177.8	76.4	54.3	0	0	0	112.3	N122 P126 N160 K163 G215 P218 R219	N122-D213 PolarHBondContact ND2-OD1 2.85Å; N122-D213 PolarHBondContact ND2-OD2 2.72Å; P126-D213 HydrophobicContact CG-CB 3.96Å; N160-D213 VanDerWaalsContact O-CB 3.31Å; N160-D213 WeakPolarHBondContact O-CB 3.17Å; K163-D213 VanDerWaalsContact CB-C 3.46Å; K163-D213 VanDerWaalsContact CB-O 3.27Å; K163-D213 WeakPolarHBondContact CB-O 3.49Å; D213-G215 PolarHBondContact OD1-N 3.31Å; D213-P218 WeakPolarHBondContact OD1-CA 3.47Å; D213-R219 PolarHBondContact N-O 3.08Å; D213-R219 VanDerWaalsContact OD2-CA 3.26Å; D213-R219 WeakPolarHBondContact OD2-CA 3.46Å; D213-R219 WeakPolarHBondContact OD2-CB 3.38Å; D213-R219 PolarHBondContact OD2-N 2.81Å
214	G	86.5	Confident	90.6	Very high	14 Å²	14	50.9 Å²	50.9	14%	0.144	26%	0.264	C	S	.	.			trans	-123.7	11.9	-179.8	0	0	0	0	0	118.7	E159 K163	E159-G214 CarbonylContact O-C 3.52Å; E159-G214 WeakPolarHBondContact O-CA 3.5Å; E159-G214 PolarHBondContact O-N 2.9Å; K163-G214 PolarHBondContact NZ-O 3.35Å
215	G	85.3	Confident	90.6	Very high	8 Å²	8	46 Å²	46	8%	0.082	24%	0.242	C	C	.	.	S	Bend	trans	-65.8	169.4	179.2	0	0	0	0	0	113.6	N160 D213 Y217	N160-G215 WeakPolarHBondContact OD1-CA 3.36Å; D213-G215 PolarHBondContact OD1-N 3.31Å; G215-Y217 PolarHBondContact O-N 2.99Å
216	E	80.4	Confident	90.7	Very high	173 Å²	173	47 Å²	47	81%	0.808	25%	0.247	S	C	*	.	S	Bend	trans	-59.1	-31.4	179.6	-171.9	177.6	-168.9	0	0	112.6
217	Y	86.2	Confident	90.8	Very high	181 Å²	181	44.4 Å²	44.4	71%	0.71	23%	0.232	S	C	*	.	S	Bend	trans	-118.1	88.7	169.8	-61.1	-87.9	0	0	0	108	G215 R219	G215-Y217 PolarHBondContact O-N 2.99Å; Y217-R219 PolarHBondContact O-N 2.8Å
218	P	86.9	Confident	90.9	Very high	82 Å²	82	48.1 Å²	48.1	53%	0.532	25%	0.248	S	C	.	.			trans	-69	130.8	-170.1	26.9	-34.7	0	0	0	111.4	T212 D213	T212-P218 HydrophobicContact CG2-CB 4.15Å; D213-P218 WeakPolarHBondContact OD1-CA 3.47Å
219	R	90.8	Very high	91	Very high	105 Å²	105	45.8 Å²	45.8	40%	0.396	24%	0.236	S	C	.	.			trans	-99.3	170.3	174.1	-47	174.4	-178.7	-157.6	1	109.3	N122 D123 N124 D213 Y217	N122-R219 PolarHBondContact O-NH2 2.95Å; N122-R219 WeakPolarHBondContact OD1-CD 3.41Å; N122-R219 PolarHBondContact OD1-NE 3.46Å; D123-R219 VanDerWaalsContact C-NH1 3.28Å; D123-R219 PolarHBondContact O-NH1 2.74Å; N124-R219 WeakPolarHBondContact O-CD 3.38Å; N124-R219 PolarHBondContact O-NE 2.83Å; N124-R219 PolarHBondContact O-NH1 2.86Å; D213-R219 PolarHBondContact N-O 3.08Å; D213-R219 VanDerWaalsContact OD2-CA 3.26Å; D213-R219 WeakPolarHBondContact OD2-CA 3.46Å; D213-R219 WeakPolarHBondContact OD2-CB 3.38Å; D213-R219 PolarHBondContact OD2-N 2.81Å; Y217-R219 PolarHBondContact O-N 2.8Å
220	S	91.9	Very high	91.1	Very high	58 Å²	58	49.4 Å²	49.4	41%	0.406	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	145.7	179.4	-63	0	0	0	0	112.3	A211 T212	A211-S220 CarbonylContact O-C 3.56Å; A211-S220 WeakPolarHBondContact O-CA 3.34Å; A211-S220 VanDerWaalsContact O-CB 3.22Å; A211-S220 WeakPolarHBondContact O-CB 3.28Å; A211-S220 PolarHBondContact O-OG 3.38Å; T212-S220 WeakPolarHBondContact CA-OG 3.44Å; T212-S220 WeakPolarHBondContact CB-OG 3.26Å; T212-S220 WeakPolarHBondContact CG2-OG 3.24Å; T212-S220 PolarHBondContact OG1-OG 3.41Å
221	G	92.2	Very high	91.1	Very high	16 Å²	16	50.2 Å²	50.2	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	156.3	164.8	0	0	0	0	0	110.7	P126 S210 A211	P126-G221 VanDerWaalsContact O-CA 3.24Å; P126-G221 WeakPolarHBondContact O-CA 3.23Å; P126-G221 PolarHBondContact O-N 3.21Å; S210-G221 WeakPolarHBondContact CA-O 3.4Å; A211-G221 PolarHBondContact N-O 2.68Å; A211-G221 PolarHBondContact O-N 3.09Å; A211-G221 VanDerWaalsContact O-N 3.09Å
222	T	93.4	Very high	91.1	Very high	87 Å²	87	51 Å²	51	53%	0.534	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.1	-177.6	56	0	0	0	0	111.9	I208 L209	I208-T222 HydrophobicContact CG2-CG2 4.37Å; L209-T222 CarbonylContact O-C 3.6Å; L209-T222 VanDerWaalsContact O-CA 3.23Å; L209-T222 WeakPolarHBondContact O-CA 3.23Å
223	M	93.2	Very high	91.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.7	170.6	178.4	179.4	63.8	0	0	109.5	F128 S130 D131 I133 T150 L209	F128-M223 HydrophobicContact CB-CB 4.06Å; F128-M223 HydrophobicContact CB-SD 4.29Å; F128-M223 HydrophobicContact CD1-CB 4.11Å; F128-M223 HydrophobicContact CD1-CE 3.92Å; F128-M223 HydrophobicContact CD1-SD 4.12Å; F128-M223 HydrophobicContact CD2-CB 3.61Å; F128-M223 HydrophobicContact CE1-CB 4.47Å; F128-M223 HydrophobicContact CE1-CE 4.06Å; F128-M223 HydrophobicContact CE2-CB 4Å; F128-M223 HydrophobicContact CG-CB 3.66Å; F128-M223 HydrophobicContact CG-SD 4.3Å; F128-M223 HydrophobicContact CZ-CB 4.41Å; S130-M223 WeakPolarHBondContact O-CG 3.42Å; D131-M223 WeakPolarHBondContact O-CA 2.9Å; I133-M223 HydrophobicContact CB-CE 4.49Å; I133-M223 HydrophobicContact CB-SD 4.11Å; I133-M223 HydrophobicContact CG2-CE 3.72Å; I133-M223 HydrophobicContact CG2-CG 4.43Å; I133-M223 HydrophobicContact CG2-SD 3.89Å; T150-M223 WeakPolarHBondContact OG1-CE 3.15Å; L209-M223 HydrophobicContact CD2-CE 3.88Å; L209-M223 PolarHBondContact N-O 3.36Å; L209-M223 PolarHBondContact O-N 3.46Å
224	Q	93.3	Very high	91.2	Very high	80 Å²	80	54.4 Å²	54.4	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.2	173.7	-173.2	170.5	-55.4	0	0	110.4	D131 Q132 I133 T206 N226	D131-Q224 PolarHBondContact O-N 3.36Å; Q132-Q224 CarbonylContact C-O 3.53Å; Q132-Q224 VanDerWaalsContact CA-O 3.23Å; Q132-Q224 WeakPolarHBondContact CA-O 3.23Å; Q132-Q224 HydrophobicContact CB-CB 4.22Å; I133-Q224 PolarHBondContact N-O 2.85Å; T206-Q224 HydrophobicContact CG2-CG 3.6Å; Q224-N226 PolarHBondContact NE2-OD1 3.43Å
225	I	92.9	Very high	91.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.8	171.6	-52.8	173.4	0	0	0	107.4	I133 I135 L149 T206 L207 L209 V227	I133-I225 HydrophobicContact CG2-CB 4.24Å; I133-I225 HydrophobicContact CG2-CG1 3.84Å; I133-I225 HydrophobicContact CG2-CG2 4.22Å; I133-I225 WeakPolarHBondContact O-CA 3.4Å; I135-I225 HydrophobicContact CD1-CG2 3.72Å; I135-I225 HydrophobicContact CG1-CG2 4.18Å; L149-I225 HydrophobicContact CD1-CD1 3.65Å; L149-I225 HydrophobicContact CD2-CD1 4.07Å; T206-I225 WeakPolarHBondContact CA-O 3.31Å; L207-I225 HydrophobicContact CB-CB 4.21Å; L207-I225 PolarHBondContact N-O 2.96Å; L207-I225 PolarHBondContact O-N 2.88Å; L209-I225 HydrophobicContact CB-CD1 4.1Å; L209-I225 HydrophobicContact CB-CG1 4.44Å; I225-V227 HydrophobicContact CG2-CG2 4.06Å
226	N	92.9	Very high	91.9	Very high	32 Å²	32	58 Å²	58	17%	0.171	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.5	170.9	-58.5	-40.9	0	0	0	107.8	I133 D134 I135 Q224	I133-N226 PolarHBondContact O-N 3.03Å; D134-N226 WeakPolarHBondContact CA-O 3.3Å; D134-N226 VanDerWaalsContact OD1-CB 3.31Å; D134-N226 WeakPolarHBondContact OD1-CB 3.36Å; D134-N226 PolarHBondContact OD1-ND2 2.85Å; I135-N226 PolarHBondContact N-O 3.29Å; Q224-N226 PolarHBondContact NE2-OD1 3.43Å
227	V	93.1	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.9	171.6	-178	0	0	0	0	107.9	I135 I137 F175 L191 H204 H205 L207 I225	I135-V227 WeakPolarHBondContact O-CA 3.09Å; I137-V227 HydrophobicContact CB-CG1 4.23Å; I137-V227 HydrophobicContact CD1-CG1 3.79Å; I137-V227 HydrophobicContact CD1-CG2 4.48Å; I137-V227 HydrophobicContact CG1-CG1 4.05Å; F175-V227 HydrophobicContact CE1-CG1 4.41Å; F175-V227 HydrophobicContact CE1-CG2 4.37Å; F175-V227 HydrophobicContact CZ-CB 4.35Å; F175-V227 HydrophobicContact CZ-CG1 3.98Å; F175-V227 HydrophobicContact CZ-CG2 4.17Å; L191-V227 HydrophobicContact CD2-CG2 4.35Å; H204-V227 WeakPolarHBondContact CA-O 3.33Å; H205-V227 HydrophobicContact CB-CB 4.3Å; H205-V227 PolarHBondContact N-O 2.73Å; H205-V227 PolarHBondContact O-N 2.78Å; L207-V227 HydrophobicContact CD1-CG2 4.38Å; I225-V227 HydrophobicContact CG2-CG2 4.06Å
228	K	93.9	Very high	93.1	Very high	78 Å²	78	45.7 Å²	45.7	34%	0.339	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.4	162.1	178.8	179.1	-178.8	-167.4	0	107.9	I135 D136 I137	I135-K228 PolarHBondContact O-N 3.1Å; D136-K228 WeakPolarHBondContact CA-O 3.23Å; D136-K228 WeakPolarHBondContact OD1-CB 3.35Å; I137-K228 PolarHBondContact N-O 2.74Å
229	V	94.4	Very high	93.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.5	168.4	-168.8	0	0	0	0	108.1	I137 E139 L197 R199 R202 S203	I137-V229 CarbonylContact O-C 3.59Å; I137-V229 VanDerWaalsContact O-CA 3.23Å; I137-V229 WeakPolarHBondContact O-CA 3.41Å; E139-V229 HydrophobicContact CB-CG1 3.8Å; L197-V229 HydrophobicContact CB-CG1 4.47Å; R199-V229 HydrophobicContact CB-CB 4.21Å; R199-V229 HydrophobicContact CB-CG1 3.85Å; R199-V229 HydrophobicContact CG-CB 4.31Å; R199-V229 HydrophobicContact CG-CG1 4.41Å; R202-V229 WeakPolarHBondContact O-CG2 3.42Å; S203-V229 PolarHBondContact O-N 2.86Å
230	I	94.9	Very high	93.6	Very high	76 Å²	76	42.6 Å²	42.6	39%	0.39	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.5	173.5	-43.1	173.3	0	0	0	108.2	D136 I137 S138 E139 S232	D136-I230 HydrophobicContact CB-CD1 3.66Å; D136-I230 HydrophobicContact CB-CG1 3.74Å; I137-I230 PolarHBondContact O-N 3.22Å; S138-I230 VanDerWaalsContact CA-O 3.3Å; S138-I230 WeakPolarHBondContact CA-O 3.19Å; E139-I230 PolarHBondContact N-O 2.95Å; I230-S232 PolarHBondContact O-OG 2.73Å
231	D	94.4	Very high	93.7	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.144	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-51	142.3	171.4	-168.5	87.4	0	0	0	114.3	E139 R199 E268 N271	E139-D231 VanDerWaalsContact OE1-C 3.25Å; E139-D231 WeakPolarHBondContact OE1-CA 2.94Å; R199-D231 WeakPolarHBondContact CD-OD1 3.14Å; R199-D231 IonicContact CZ-OD1 3.72Å; R199-D231 VanDerWaalsContact CZ-OD1 3.28Å; R199-D231 IonicContact NE-OD1 3.83Å; R199-D231 PolarHBondContact NE-OD1 2.84Å; R199-D231 IonicContact NH1-OD1 2.77Å; R199-D231 IonicContact NH2-OD1 3.83Å; D231-E268 HydrophobicContact CB-CB 3.73Å; D231-E268 VanDerWaalsContact OD1-CB 3.24Å; D231-E268 WeakPolarHBondContact OD1-CB 3.5Å; D231-E268 PolarHBondContact OD1-N 3.04Å; D231-E268 PolarHBondContact OD2-N 3.47Å; D231-N271 PolarHBondContact OD2-ND2 3.46Å
232	S	92.8	Very high	93.7	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	27%	0.27	C	S	.	.			trans	-145.9	137.3	-177.2	-40	0	0	0	0	108	S138 E139 N140 I230 D234	S138-S232 PolarHBondContact OG-OG 2.89Å; E139-S232 WeakPolarHBondContact OE1-CB 3.26Å; E139-S232 PolarHBondContact OE1-N 3.25Å; E139-S232 PolarHBondContact OE1-OG 2.75Å; N140-S232 VanDerWaalsContact ND2-CB 3.25Å; N140-S232 WeakPolarHBondContact ND2-CB 3.44Å; I230-S232 PolarHBondContact O-OG 2.73Å; S232-D234 VanDerWaalsContact C-N 3.3Å; S232-D234 PolarHBondContact O-N 3.18Å
233	N	93.4	Very high	93.7	Very high	20 Å²	20	48 Å²	48	11%	0.107	27%	0.266	C	S	.	.	S	Bend	trans	-75.2	74	-174.8	-159	116.7	0	0	0	112.7	D267 N271 D321 G323	N233-D267 WeakPolarHBondContact CA-OD2 3.27Å; N233-N271 HydrophobicContact CB-CB 4.11Å; N233-N271 PolarHBondContact N-ND2 3.27Å; N233-N271 VanDerWaalsContact OD1-CA 3.3Å; N233-N271 WeakPolarHBondContact OD1-CA 3.41Å; N233-N271 VanDerWaalsContact OD1-CB 3.3Å; N233-N271 WeakPolarHBondContact OD1-CB 3.19Å; N233-D321 PolarHBondContact ND2-OD2 3.11Å; N233-D321 PolarHBondContact OD1-OD1 2.88Å; N233-G323 WeakPolarHBondContact OD1-CA 3.41Å
234	D	91.9	Very high	93.9	Very high	85 Å²	85	49 Å²	49	46%	0.455	27%	0.269	S	S	.	.			trans	-110.5	-14.2	179.8	84	-19.3	0	0	0	114.7	S232 D267	S232-D234 VanDerWaalsContact C-N 3.3Å; S232-D234 PolarHBondContact O-N 3.18Å; D234-D267 PolarHBondContact N-OD2 3Å
235	N	92.7	Very high	94	Very high	56 Å²	56	49.4 Å²	49.4	30%	0.299	28%	0.278	S	S	.	.	S	Bend	trans	-82	-177.1	161.2	-63.5	-79.1	0	0	0	111.1	P266 D267	N235-P266 HydrophobicContact CB-CG 3.65Å; N235-P266 VanDerWaalsContact CG-CG 3.47Å; N235-D267 VanDerWaalsContact CB-OD1 3.29Å; N235-D267 WeakPolarHBondContact CB-OD1 3.44Å; N235-D267 PolarHBondContact N-OD2 3.07Å; N235-D267 PolarHBondContact ND2-OD1 2.81Å
236	S	93.6	Very high	94.2	Very high	41 Å²	41	50.6 Å²	50.6	29%	0.287	29%	0.285	S	S	.	.			trans	-157.1	157.4	176.3	61.6	0	0	0	0	111.2	V238 D265 I327	S236-V238 WeakPolarHBondContact O-CG2 3.34Å; S236-V238 PolarHBondContact O-N 2.8Å; S236-V238 VanDerWaalsContact O-N 3.12Å; S236-D265 WeakPolarHBondContact CA-OD2 2.91Å; S236-I327 VanDerWaalsContact CB-CG2 3.49Å
237	P	96.2	Very high	94.3	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.013	30%	0.301	C	S	.	.			trans	-67.4	113.4	-168.9	-25.7	36.4	0	0	0	113.6	A263 D265 V274 A319 D321 I327 G329	P237-A263 HydrophobicContact CB-CB 4.26Å; P237-D265 HydrophobicContact CB-CB 4.45Å; P237-D265 WeakPolarHBondContact CD-OD2 2.94Å; P237-D265 HydrophobicContact CG-CB 4.26Å; P237-D265 WeakPolarHBondContact CG-OD2 3.29Å; P237-V274 HydrophobicContact CB-CG1 3.89Å; P237-V274 HydrophobicContact CB-CG2 3.82Å; P237-V274 HydrophobicContact CG-CG1 4.18Å; P237-V274 HydrophobicContact CG-CG2 3.95Å; P237-A319 HydrophobicContact CB-CB 3.81Å; P237-D321 HydrophobicContact CG-CB 4.45Å; P237-I327 WeakPolarHBondContact CD-O 3.23Å; P237-G329 WeakPolarHBondContact O-CA 3.16Å
238	V	95.5	Very high	94.5	Very high	93 Å²	93	54.5 Å²	54.5	56%	0.564	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.2	-179.6	-175.3	0	0	0	0	110.5	S236 A263 T264	S236-V238 WeakPolarHBondContact O-CG2 3.34Å; S236-V238 PolarHBondContact O-N 2.8Å; S236-V238 VanDerWaalsContact O-N 3.12Å; V238-A263 CarbonylContact O-C 3.54Å; V238-A263 VanDerWaalsContact O-CA 3.22Å; V238-A263 WeakPolarHBondContact O-CA 3.41Å; V238-T264 PolarHBondContact N-O 3.4Å; V238-T264 PolarHBondContact O-N 2.96Å
239	F	96.1	Very high	94.5	Very high	15 Å²	15	52.3 Å²	52.3	7%	0.066	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146.5	170.8	-70.5	-86.2	0	0	0	112	Q241 L261 N262 A263 Y276 V317 A319 C331	F239-Q241 WeakPolarHBondContact CB-O 3.43Å; F239-Q241 PolarHBondContact O-N 2.85Å; F239-Q241 VanDerWaalsContact O-N 3.07Å; F239-L261 HydrophobicContact CE1-CB 4.41Å; F239-N262 WeakPolarHBondContact CA-O 3.44Å; F239-A263 HydrophobicContact CD1-CB 3.74Å; F239-A263 HydrophobicContact CD2-CB 4.32Å; F239-A263 HydrophobicContact CE1-CB 3.97Å; F239-A263 HydrophobicContact CG-CB 3.94Å; F239-A263 HydrophobicContact CZ-CB 4.37Å; F239-Y276 HydrophobicContact CE1-CD1 4.16Å; F239-Y276 AromaticContact CE1-CE1 3.98Å; F239-Y276 HydrophobicContact CE1-CE1 3.98Å; F239-Y276 HydrophobicContact CZ-CD1 4.43Å; F239-V317 HydrophobicContact CE1-CG1 4.43Å; F239-V317 HydrophobicContact CZ-CG1 4.02Å; F239-A319 HydrophobicContact CD2-CB 4.45Å; F239-A319 HydrophobicContact CE1-CB 4.15Å; F239-A319 HydrophobicContact CE2-CB 3.55Å; F239-A319 HydrophobicContact CZ-CB 3.38Å; F239-C331 HydrophobicContact CB-CB 4.09Å; F239-C331 HydrophobicContact CD1-CB 4.19Å; F239-C331 VanDerWaalsContact CD1-SG 3.57Å; F239-C331 HydrophobicContact CD2-CB 3.67Å; F239-C331 VanDerWaalsContact CE1-SG 3.52Å; F239-C331 HydrophobicContact CE2-CB 4.07Å; F239-C331 HydrophobicContact CG-CB 3.73Å; F239-C331 HydrophobicContact CZ-CB 4.48Å
240	D	93.4	Very high	94.5	Very high	107 Å²	107	52.6 Å²	52.6	57%	0.572	30%	0.297	S	S	*	.	S	Bend	trans	-54.9	-29.3	176.6	-64.6	-30.3	0	0	0	113.4	Y244 N262	D240-Y244 PolarHBondContact N-OH 3.32Å; D240-N262 PolarHBondContact N-O 2.77Å; D240-N262 PolarHBondContact OD1-ND2 3.01Å; D240-N262 WeakPolarHBondContact OD2-CB 3.34Å; D240-N262 PolarHBondContact OD2-ND2 2.65Å; D240-N262 VanDerWaalsContact OD2-ND2 3.07Å
241	Q	93.1	Very high	94.4	Very high	112 Å²	112	53.9 Å²	53.9	52%	0.523	31%	0.305	S	S	.	.			trans	-141.4	143.5	175.2	-54.2	-179.4	20.9	0	0	110.4	F239 S243 Y244	F239-Q241 WeakPolarHBondContact CB-O 3.43Å; F239-Q241 PolarHBondContact O-N 2.85Å; F239-Q241 VanDerWaalsContact O-N 3.07Å; Q241-S243 VanDerWaalsContact C-N 3.3Å; Q241-S243 PolarHBondContact OE1-O 3.09Å; Q241-Y244 HydrophobicContact CB-CD1 4.22Å; Q241-Y244 HydrophobicContact CB-CE1 3.78Å; Q241-Y244 HydrophobicContact CB-CE2 4.2Å; Q241-Y244 HydrophobicContact CG-CD1 4.48Å; Q241-Y244 HydrophobicContact CG-CE1 3.94Å; Q241-Y244 PolarHBondContact N-OH 3.06Å; Q241-Y244 VanDerWaalsContact N-OH 3.14Å; Q241-Y244 VanDerWaalsContact O-CE2 3.25Å; Q241-Y244 WeakPolarHBondContact O-CE2 3.04Å
242	S	91.7	Very high	94.4	Very high	100 Å²	100	53 Å²	53	70%	0.699	30%	0.3	S	S	*	.	S	Bend	trans	-72.3	-23.6	174.9	54.5	0	0	0	0	113.2	C331 K332	S242-C331 WeakPolarHBondContact O-CA 3.33Å; S242-K332 PolarHBondContact O-N 2.98Å
243	S	95.2	Very high	94.4	Very high	62 Å²	62	56.2 Å²	56.2	43%	0.434	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.9	169.3	62.6	0	0	0	0	112.9	Q241 K332	Q241-S243 VanDerWaalsContact C-N 3.3Å; Q241-S243 PolarHBondContact OE1-O 3.09Å; S243-K332 CarbonylContact C-O 3.52Å; S243-K332 WeakPolarHBondContact CA-O 3.42Å
244	Y	95.9	Very high	94.5	Very high	23 Å²	23	59.1 Å²	59.1	9%	0.09	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.7	177.3	-58.1	-92.8	0	0	0	109.7	D240 Q241 I259 L261 C331 K332 V333 T334	D240-Y244 PolarHBondContact N-OH 3.32Å; Q241-Y244 HydrophobicContact CB-CD1 4.22Å; Q241-Y244 HydrophobicContact CB-CE1 3.78Å; Q241-Y244 HydrophobicContact CB-CE2 4.2Å; Q241-Y244 HydrophobicContact CG-CD1 4.48Å; Q241-Y244 HydrophobicContact CG-CE1 3.94Å; Q241-Y244 PolarHBondContact N-OH 3.06Å; Q241-Y244 VanDerWaalsContact N-OH 3.14Å; Q241-Y244 VanDerWaalsContact O-CE2 3.25Å; Q241-Y244 WeakPolarHBondContact O-CE2 3.04Å; Y244-I259 HydrophobicContact CD1-CD1 3.82Å; Y244-I259 HydrophobicContact CG-CD1 3.82Å; Y244-L261 HydrophobicContact CD2-CD2 3.77Å; Y244-L261 HydrophobicContact CE1-CD2 4.44Å; Y244-L261 HydrophobicContact CE2-CD2 3.67Å; Y244-L261 HydrophobicContact CG-CD2 4.22Å; Y244-C331 HydrophobicContact CE2-CB 4.13Å; Y244-K332 PolarHBondContact N-O 2.73Å; Y244-V333 HydrophobicContact CD2-CG2 4.23Å; Y244-T334 PolarHBondContact O-N 2.69Å
245	V	96.8	Very high	94.6	Very high	90 Å²	90	57.7 Å²	57.7	55%	0.545	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.5	176	-178.1	0	0	0	0	109.3	T334 K336	V245-T334 WeakPolarHBondContact CA-O 3.46Å; V245-K336 HydrophobicContact CG1-CD 4.49Å; V245-K336 HydrophobicContact CG1-CG 4.41Å
246	V	96	Very high	94.7	Very high	24 Å²	24	58.5 Å²	58.5	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.7	-177.5	-172.2	0	0	0	0	109.3	I248 L258 I259 V333 T334 V335 K336	V246-I248 HydrophobicContact CG1-CG2 4.3Å; V246-L258 HydrophobicContact CB-CD1 4.17Å; V246-L258 HydrophobicContact CG1-CD1 3.7Å; V246-L258 HydrophobicContact CG1-CG 4.3Å; V246-I259 HydrophobicContact CG2-CB 4.14Å; V246-I259 HydrophobicContact CG2-CD1 3.85Å; V246-I259 HydrophobicContact CG2-CG1 4.49Å; V246-V333 HydrophobicContact CG2-CG1 4.17Å; V246-T334 PolarHBondContact N-O 3.26Å; V246-V335 CarbonylContact O-C 3.53Å; V246-V335 WeakPolarHBondContact O-CA 3.46Å; V246-K336 PolarHBondContact O-N 2.83Å
247	E	96.3	Very high	94.8	Very high	109 Å²	109	60.2 Å²	60.2	51%	0.509	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.6	178.4	-50.2	-166.5	158.7	0	0	109.6	K336 L338	E247-K336 WeakPolarHBondContact CA-O 3.3Å; E247-K336 HydrophobicContact CG-CB 4.24Å; E247-K336 HydrophobicContact CG-CD 4.22Å; E247-K336 WeakPolarHBondContact OE1-CD 3.3Å; E247-K336 WeakPolarHBondContact OE1-CE 3.36Å; E247-K336 IonicContact OE1-NZ 3.5Å; E247-K336 PolarHBondContact OE1-NZ 2.9Å; E247-L338 HydrophobicContact CB-CD1 4.06Å; E247-L338 HydrophobicContact CB-CD2 4.4Å; E247-L338 HydrophobicContact CB-CG 4.27Å
248	I	95.6	Very high	94.8	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.2	176.7	61.2	174.6	0	0	0	110.1	V246 L258 I301 I305 V335 K336 V337 L338	V246-I248 HydrophobicContact CG1-CG2 4.3Å; I248-L258 HydrophobicContact CD1-CD1 4.22Å; I248-L258 HydrophobicContact CG2-CD1 3.57Å; I248-I301 HydrophobicContact CD1-CD1 3.83Å; I248-I305 HydrophobicContact CD1-CG1 4.21Å; I248-I305 HydrophobicContact CD1-CG2 4.25Å; I248-V335 HydrophobicContact CD1-CG1 3.64Å; I248-V335 HydrophobicContact CG1-CG1 3.66Å; I248-K336 PolarHBondContact N-O 2.71Å; I248-V337 CarbonylContact O-C 3.59Å; I248-V337 WeakPolarHBondContact O-CA 3.26Å; I248-L338 PolarHBondContact O-N 2.91Å
249	P	94.7	Very high	94.8	Very high	33 Å²	33	57.7 Å²	57.7	21%	0.214	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.6	162	29.8	-33	0	0	0	110	S252 L338 R340	P249-S252 WeakPolarHBondContact O-CB 3.25Å; P249-S252 PolarHBondContact O-OG 3.17Å; P249-L338 WeakPolarHBondContact CA-O 3.22Å; P249-R340 HydrophobicContact CB-CG 4.22Å
250	E	94.7	Very high	94.7	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.028	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	172.7	162.3	75.3	-169.7	118.7	0	0	111.4	S252 I305 Y307 V337 L338 D339 R340	E250-S252 PolarHBondContact O-N 3.14Å; E250-I305 WeakPolarHBondContact CB-O 3.22Å; E250-Y307 VanDerWaalsContact OE1-CB 3.23Å; E250-Y307 WeakPolarHBondContact OE1-CB 3.12Å; E250-Y307 WeakPolarHBondContact OE2-CB 3.18Å; E250-Y307 PolarHBondContact OE2-N 2.74Å; E250-V337 HydrophobicContact CB-CG1 3.57Å; E250-L338 PolarHBondContact N-O 3.37Å; E250-D339 WeakPolarHBondContact OE1-CA 3.34Å; E250-R340 HydrophobicContact CG-CB 3.74Å; E250-R340 HydrophobicContact CG-CG 3.79Å; E250-R340 PolarHBondContact OE1-N 2.67Å
251	N	92.4	Very high	94.8	Very high	104 Å²	104	57.4 Å²	57.4	56%	0.556	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	21.7	-169.6	-72.9	-77.5	0	0	0	112.9	I305 D342	N251-I305 PolarHBondContact N-O 3.32Å; N251-D342 PolarHBondContact ND2-OD2 2.79Å
252	S	94.4	Very high	94.9	Very high	7 Å²	7	55.4 Å²	55.4	5%	0.049	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.6	128.1	173.4	-84.9	0	0	0	0	109.5	P249 E250 K256 I301	P249-S252 WeakPolarHBondContact O-CB 3.25Å; P249-S252 PolarHBondContact O-OG 3.17Å; E250-S252 PolarHBondContact O-N 3.14Å; S252-K256 PolarHBondContact OG-NZ 2.82Å; S252-I301 VanDerWaalsContact CB-CD1 3.45Å
253	P	93.8	Very high	95.1	Very high	86 Å²	86	51 Å²	51	56%	0.558	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-68.3	142.4	-171.4	26.1	-35	0	0	0	112.5	K256	P253-K256 WeakPolarHBondContact O-CB 3.29Å; P253-K256 PolarHBondContact O-N 3.49Å
254	P	94.6	Very high	95	Very high	81 Å²	81	51.8 Å²	51.8	53%	0.526	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	147.6	169.5	-30	37.2	0	0	0	113.4	K256	P254-K256 VanDerWaalsContact C-N 3.27Å; P254-K256 PolarHBondContact O-N 3.14Å
255	G	93.4	Very high	95.1	Very high	56 Å²	56	51.7 Å²	51.7	58%	0.577	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-13.3	-173	0	0	0	0	0	114.6	V257 I301	G255-V257 PolarHBondContact O-N 2.81Å; G255-I301 PolarHBondContact N-O 3.48Å
256	K	94.6	Very high	95	Very high	72 Å²	72	50.5 Å²	50.5	31%	0.313	30%	0.298	S	S	.	.			trans	-63.8	130.3	172.9	-178.7	-170.4	171.3	-156.3	0	110.6	S252 P253 P254 K300 I301	S252-K256 PolarHBondContact OG-NZ 2.82Å; P253-K256 WeakPolarHBondContact O-CB 3.29Å; P253-K256 PolarHBondContact O-N 3.49Å; P254-K256 VanDerWaalsContact C-N 3.27Å; P254-K256 PolarHBondContact O-N 3.14Å; K256-K300 CarbonylContact O-C 3.59Å; K256-K300 VanDerWaalsContact O-CA 3.31Å; K256-K300 WeakPolarHBondContact O-CA 3.31Å; K256-I301 HydrophobicContact CB-CD1 4.43Å; K256-I301 HydrophobicContact CD-CD1 4.12Å; K256-I301 PolarHBondContact O-N 3.49Å
257	V	95.7	Very high	94.9	Very high	77 Å²	77	49.9 Å²	49.9	47%	0.467	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.8	171.3	175.8	0	0	0	0	110	G255 V298 K300	G255-V257 PolarHBondContact O-N 2.81Å; V257-V298 HydrophobicContact CB-CG1 4.42Å; V257-V298 HydrophobicContact CG1-CG1 3.75Å; V257-V298 HydrophobicContact CG2-CG1 3.87Å; V257-K300 HydrophobicContact CG2-CG 3.96Å
258	L	96.1	Very high	94.8	Very high	17 Å²	17	49.1 Å²	49.1	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-57.2	173.5	174.5	72.4	0	0	0	110.4	V246 I248 F290 I299 I315 V333 V335	V246-L258 HydrophobicContact CB-CD1 4.17Å; V246-L258 HydrophobicContact CG1-CD1 3.7Å; V246-L258 HydrophobicContact CG1-CG 4.3Å; I248-L258 HydrophobicContact CD1-CD1 4.22Å; I248-L258 HydrophobicContact CG2-CD1 3.57Å; L258-F290 HydrophobicContact CD2-CD1 4.07Å; L258-F290 HydrophobicContact CD2-CE1 3.92Å; L258-I299 HydrophobicContact CB-CB 4.4Å; L258-I299 HydrophobicContact CB-CG2 4.22Å; L258-I299 HydrophobicContact CD2-CB 4.3Å; L258-I299 HydrophobicContact CD2-CG2 3.74Å; L258-I299 PolarHBondContact N-O 2.62Å; L258-I315 HydrophobicContact CD2-CD1 4.06Å; L258-V333 HydrophobicContact CD2-CG1 4.44Å; L258-V335 HydrophobicContact CD1-CG1 4.05Å; L258-V335 HydrophobicContact CD1-CG2 4.05Å; L258-V335 HydrophobicContact CD2-CG2 3.66Å; L258-V335 HydrophobicContact CG-CG2 4.43Å
259	I	96	Very high	94.7	Very high	26 Å²	26	51.7 Å²	51.7	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151	-176.8	-174.4	161.3	0	0	0	109.3	Y244 V246 L261 V298 I299 V333	Y244-I259 HydrophobicContact CD1-CD1 3.82Å; Y244-I259 HydrophobicContact CG-CD1 3.82Å; V246-I259 HydrophobicContact CG2-CB 4.14Å; V246-I259 HydrophobicContact CG2-CD1 3.85Å; V246-I259 HydrophobicContact CG2-CG1 4.49Å; I259-L261 HydrophobicContact CD1-CD2 3.81Å; I259-L261 HydrophobicContact CG1-CD2 3.96Å; I259-L261 HydrophobicContact CG1-CG 4.48Å; I259-L261 HydrophobicContact CG2-CD2 4.18Å; I259-L261 HydrophobicContact CG2-CG 4.14Å; I259-V298 WeakPolarHBondContact O-CA 3.33Å; I259-I299 HydrophobicContact CG2-CB 4.04Å; I259-I299 HydrophobicContact CG2-CD1 4.09Å; I259-I299 HydrophobicContact CG2-CG1 4.26Å; I259-I299 PolarHBondContact O-N 2.95Å; I259-V333 HydrophobicContact CG2-CG1 4.22Å
260	D	95.2	Very high	94.6	Very high	114 Å²	114	54.9 Å²	54.9	61%	0.61	33%	0.333	S	S	*	.			trans	-101.6	121.6	168.8	-158.7	-7.1	0	0	0	107	V298	D260-V298 VanDerWaalsContact OD1-CG2 3.27Å; D260-V298 WeakPolarHBondContact OD1-CG2 3.15Å
261	L	95.4	Very high	94.4	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	34%	0.337	C	S	.	.			trans	-109.9	127.1	-175.1	-67.6	178.8	0	0	0	110.3	F239 Y244 I259 I299 V317 V333	F239-L261 HydrophobicContact CE1-CB 4.41Å; Y244-L261 HydrophobicContact CD2-CD2 3.77Å; Y244-L261 HydrophobicContact CE1-CD2 4.44Å; Y244-L261 HydrophobicContact CE2-CD2 3.67Å; Y244-L261 HydrophobicContact CG-CD2 4.22Å; I259-L261 HydrophobicContact CD1-CD2 3.81Å; I259-L261 HydrophobicContact CG1-CD2 3.96Å; I259-L261 HydrophobicContact CG1-CG 4.48Å; I259-L261 HydrophobicContact CG2-CD2 4.18Å; I259-L261 HydrophobicContact CG2-CG 4.14Å; L261-I299 HydrophobicContact CD1-CD1 3.64Å; L261-I299 HydrophobicContact CD1-CG1 4.13Å; L261-I299 HydrophobicContact CG-CD1 4.49Å; L261-V317 HydrophobicContact CD1-CB 4.35Å; L261-V317 HydrophobicContact CD1-CG1 3.96Å; L261-V317 HydrophobicContact CD1-CG2 3.97Å; L261-V333 HydrophobicContact CD1-CG2 4.09Å; L261-V333 HydrophobicContact CD2-CG2 4.08Å
262	N	94.1	Very high	94.4	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	32%	0.32	S	S	.	.			trans	-113.1	128.1	176.3	177.7	59.5	0	0	0	109.9	F239 D240	F239-N262 WeakPolarHBondContact CA-O 3.44Å; D240-N262 PolarHBondContact N-O 2.77Å; D240-N262 PolarHBondContact OD1-ND2 3.01Å; D240-N262 WeakPolarHBondContact OD2-CB 3.34Å; D240-N262 PolarHBondContact OD2-ND2 2.65Å; D240-N262 VanDerWaalsContact OD2-ND2 3.07Å
263	A	95.4	Very high	94.4	Very high	6 Å²	6	55.6 Å²	55.6	5%	0.05	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.4	165.2	0	0	0	0	0	108.8	P237 V238 F239 V274 Y276 A319	P237-A263 HydrophobicContact CB-CB 4.26Å; V238-A263 CarbonylContact O-C 3.54Å; V238-A263 VanDerWaalsContact O-CA 3.22Å; V238-A263 WeakPolarHBondContact O-CA 3.41Å; F239-A263 HydrophobicContact CD1-CB 3.74Å; F239-A263 HydrophobicContact CD2-CB 4.32Å; F239-A263 HydrophobicContact CE1-CB 3.97Å; F239-A263 HydrophobicContact CG-CB 3.94Å; F239-A263 HydrophobicContact CZ-CB 4.37Å; A263-V274 HydrophobicContact CB-CG1 4.29Å; A263-Y276 HydrophobicContact CB-CE1 3.89Å; A263-Y276 PolarHBondContact N-OH 2.93Å; A263-Y276 PolarHBondContact O-OH 2.92Å; A263-A319 HydrophobicContact CB-CB 3.78Å
264	T	94.7	Very high	94.5	Very high	79 Å²	79	52.5 Å²	52.5	49%	0.485	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.4	-178.3	56.3	0	0	0	0	110.4	V238	V238-T264 PolarHBondContact N-O 3.4Å; V238-T264 PolarHBondContact O-N 2.96Å
265	D	96.3	Very high	94.6	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.112	31%	0.305	C	S	.	.			trans	-125.2	132.2	172.1	-163.7	-60.2	0	0	0	107.7	S236 P237 D267 V274	S236-D265 WeakPolarHBondContact CA-OD2 2.91Å; P237-D265 HydrophobicContact CB-CB 4.45Å; P237-D265 WeakPolarHBondContact CD-OD2 2.94Å; P237-D265 HydrophobicContact CG-CB 4.26Å; P237-D265 WeakPolarHBondContact CG-OD2 3.29Å; D265-D267 PolarHBondContact OD1-N 2.7Å; D265-V274 HydrophobicContact CB-CG2 3.8Å
266	P	94.9	Very high	94.7	Very high	66 Å²	66	48.8 Å²	48.8	43%	0.429	28%	0.28	S	S	.	.			trans	-83.9	-14.2	-174	35.6	-37.9	0	0	0	114.4	R199 E200 N235	R199-P266 PolarHBondContact NH2-O 2.74Å; E200-P266 HydrophobicContact CG-CB 3.88Å; E200-P266 HydrophobicContact CG-CG 4.07Å; N235-P266 HydrophobicContact CB-CG 3.65Å; N235-P266 VanDerWaalsContact CG-CG 3.47Å
267	D	95.3	Very high	94.8	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.053	28%	0.278	C	S	.	.	S	Bend	trans	-68.4	168.8	-170.9	-63.2	-2.6	0	0	0	112.8	N233 D234 N235 D265 N271 G272	N233-D267 WeakPolarHBondContact CA-OD2 3.27Å; D234-D267 PolarHBondContact N-OD2 3Å; N235-D267 VanDerWaalsContact CB-OD1 3.29Å; N235-D267 WeakPolarHBondContact CB-OD1 3.44Å; N235-D267 PolarHBondContact N-OD2 3.07Å; N235-D267 PolarHBondContact ND2-OD1 2.81Å; D265-D267 PolarHBondContact OD1-N 2.7Å; D267-N271 HydrophobicContact CB-CB 3.49Å; D267-N271 VanDerWaalsContact CB-CB 3.49Å; D267-G272 VanDerWaalsContact O-CA 3.23Å; D267-G272 WeakPolarHBondContact O-CA 3.1Å; D267-G272 PolarHBondContact O-N 3.42Å
268	E	93.6	Very high	94.8	Very high	94 Å²	94	44.3 Å²	44.3	44%	0.439	26%	0.26	S	S	.	.	S	Bend	trans	-87.9	135.3	-172.9	-150.9	167.4	126.7	0	0	113.8	R199 D231 N270 N271	R199-E268 IonicContact CZ-OE2 3.6Å; R199-E268 IonicContact NH1-OE2 3.53Å; R199-E268 PolarHBondContact NH1-OE2 2.98Å; D231-E268 HydrophobicContact CB-CB 3.73Å; D231-E268 VanDerWaalsContact OD1-CB 3.24Å; D231-E268 WeakPolarHBondContact OD1-CB 3.5Å; D231-E268 PolarHBondContact OD1-N 3.04Å; D231-E268 PolarHBondContact OD2-N 3.47Å; E268-N270 PolarHBondContact O-N 2.91Å; E268-N270 VanDerWaalsContact O-N 3.09Å; E268-N271 PolarHBondContact O-N 3.12Å
269	G	92.4	Very high	94.7	Very high	59 Å²	59	43.6 Å²	43.6	61%	0.608	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-110.9	168.2	0	0	0	0	0	112.9	Q273	G269-Q273 WeakPolarHBondContact O-CB 3.17Å; G269-Q273 PolarHBondContact O-N 3.26Å
270	N	92.6	Very high	94.3	Very high	99 Å²	99	45.5 Å²	45.5	53%	0.529	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-29.3	-179.3	-74.6	14	0	0	0	112.7	E268 Q273 L322 G323	E268-N270 PolarHBondContact O-N 2.91Å; E268-N270 VanDerWaalsContact O-N 3.09Å; N270-Q273 PolarHBondContact O-N 3.2Å; N270-Q273 VanDerWaalsContact O-N 3.14Å; N270-L322 HydrophobicContact CB-CB 4.33Å; N270-L322 CarbonylContact O-C 3.54Å; N270-L322 WeakPolarHBondContact O-CA 3.22Å; N270-L322 WeakPolarHBondContact O-CB 3.43Å; N270-L322 PolarHBondContact O-N 2.9Å; N270-L322 VanDerWaalsContact O-N 3.14Å; N270-G323 PolarHBondContact O-N 2.88Å
271	N	92.1	Very high	93.9	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.102	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-45.1	-179	-61.1	-3.6	0	0	0	108.7	D231 N233 D267 E268 Q273 D321 G323 P324	D231-N271 PolarHBondContact OD2-ND2 3.46Å; N233-N271 HydrophobicContact CB-CB 4.11Å; N233-N271 PolarHBondContact N-ND2 3.27Å; N233-N271 VanDerWaalsContact OD1-CA 3.3Å; N233-N271 WeakPolarHBondContact OD1-CA 3.41Å; N233-N271 VanDerWaalsContact OD1-CB 3.3Å; N233-N271 WeakPolarHBondContact OD1-CB 3.19Å; D267-N271 HydrophobicContact CB-CB 3.49Å; D267-N271 VanDerWaalsContact CB-CB 3.49Å; E268-N271 PolarHBondContact O-N 3.12Å; N271-Q273 PolarHBondContact O-N 3.02Å; N271-Q273 VanDerWaalsContact O-N 3.17Å; N271-D321 WeakPolarHBondContact O-CB 3.44Å; N271-G323 WeakPolarHBondContact OD1-CA 3.44Å; N271-P324 VanDerWaalsContact OD1-CD 3.26Å; N271-P324 WeakPolarHBondContact OD1-CD 3.16Å
272	G	92.1	Very high	93.7	Very high	19 Å²	19	50.1 Å²	50.1	20%	0.196	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.4	169.3	0	0	0	0	0	115.9	D267 V274	D267-G272 VanDerWaalsContact O-CA 3.23Å; D267-G272 WeakPolarHBondContact O-CA 3.1Å; D267-G272 PolarHBondContact O-N 3.42Å; G272-V274 PolarHBondContact O-N 2.79Å
273	Q	94.7	Very high	93.6	Very high	95 Å²	95	50.8 Å²	50.8	44%	0.444	30%	0.302	S	S	.	.			trans	-89.7	93.8	-173.8	-170.3	172	2.3	0	0	112.7	G269 N270 N271 D321 L322	G269-Q273 WeakPolarHBondContact O-CB 3.17Å; G269-Q273 PolarHBondContact O-N 3.26Å; N270-Q273 PolarHBondContact O-N 3.2Å; N270-Q273 VanDerWaalsContact O-N 3.14Å; N271-Q273 PolarHBondContact O-N 3.02Å; N271-Q273 VanDerWaalsContact O-N 3.17Å; Q273-D321 CarbonylContact O-C 3.59Å; Q273-L322 HydrophobicContact CB-CD1 4.27Å; Q273-L322 HydrophobicContact CG-CD1 3.96Å; Q273-L322 PolarHBondContact O-N 2.94Å
274	V	95.3	Very high	93.3	Very high	21 Å²	21	56.5 Å²	56.5	13%	0.127	33%	0.328	C	S	.	.			trans	-68.9	136.9	178.8	-169.8	0	0	0	0	113.6	P237 A263 D265 G272 Y276 A319 K320	P237-V274 HydrophobicContact CB-CG1 3.89Å; P237-V274 HydrophobicContact CB-CG2 3.82Å; P237-V274 HydrophobicContact CG-CG1 4.18Å; P237-V274 HydrophobicContact CG-CG2 3.95Å; A263-V274 HydrophobicContact CB-CG1 4.29Å; D265-V274 HydrophobicContact CB-CG2 3.8Å; G272-V274 PolarHBondContact O-N 2.79Å; V274-Y276 HydrophobicContact CG1-CE1 4.21Å; V274-Y276 HydrophobicContact CG1-CE2 4.07Å; V274-A319 HydrophobicContact CG1-CB 3.69Å; V274-K320 CarbonylContact C-O 3.34Å
275	V	95.8	Very high	93.2	Very high	42 Å²	42	57.2 Å²	57.2	26%	0.255	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.5	170.9	178.7	0	0	0	0	110.1	S294 K320 L322	V275-S294 CarbonylContact C-O 3.59Å; V275-S294 WeakPolarHBondContact CA-O 3.42Å; V275-S294 WeakPolarHBondContact CG1-O 3.34Å; V275-K320 PolarHBondContact N-O 3.47Å; V275-K320 PolarHBondContact O-N 2.92Å; V275-L322 HydrophobicContact CG2-CD1 3.82Å; V275-L322 HydrophobicContact CG2-CD2 3.83Å; V275-L322 HydrophobicContact CG2-CG 3.75Å
276	Y	96.8	Very high	93.1	Very high	16 Å²	16	56.6 Å²	56.6	6%	0.063	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.8	-174.5	-58	-93.1	0	0	0	112.4	F239 A263 V274 S294 A319	F239-Y276 HydrophobicContact CE1-CD1 4.16Å; F239-Y276 AromaticContact CE1-CE1 3.98Å; F239-Y276 HydrophobicContact CE1-CE1 3.98Å; F239-Y276 HydrophobicContact CZ-CD1 4.43Å; A263-Y276 HydrophobicContact CB-CE1 3.89Å; A263-Y276 PolarHBondContact N-OH 2.93Å; A263-Y276 PolarHBondContact O-OH 2.92Å; V274-Y276 HydrophobicContact CG1-CE1 4.21Å; V274-Y276 HydrophobicContact CG1-CE2 4.07Å; Y276-S294 PolarHBondContact N-O 3.41Å; Y276-S294 VanDerWaalsContact O-CA 3.31Å; Y276-S294 WeakPolarHBondContact O-CA 3.48Å; Y276-S294 VanDerWaalsContact O-CB 3.29Å; Y276-S294 WeakPolarHBondContact O-CB 3.45Å; Y276-A319 HydrophobicContact CD1-CB 4.18Å; Y276-A319 HydrophobicContact CE1-CB 4.24Å
277	S	96.1	Very high	93.1	Very high	39 Å²	39	57.7 Å²	57.7	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	164	172.5	50.1	0	0	0	0	112.2	Q318	S277-Q318 PolarHBondContact N-O 2.7Å; S277-Q318 PolarHBondContact O-N 2.99Å; S277-Q318 VanDerWaalsContact O-O 3.07Å; S277-Q318 WeakPolarHBondContact OG-CG 2.8Å; S277-Q318 PolarHBondContact OG-NE2 3.42Å
278	F	96.4	Very high	93	Very high	16 Å²	16	61.8 Å²	61.8	7%	0.07	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.4	166.4	-59.3	-54.3	0	0	0	110.3	A282 I286 R287 F290 I292 I299 I315	F278-A282 HydrophobicContact CB-CB 4.08Å; F278-I286 HydrophobicContact CD1-CG2 4.31Å; F278-I286 HydrophobicContact CE1-CG2 4.35Å; F278-R287 HydrophobicContact CD2-CG 4.23Å; F278-R287 PolarHBondContact O-NH2 2.82Å; F278-F290 HydrophobicContact CE1-CB 4.46Å; F278-F290 WeakPolarHBondContact CE2-O 3.49Å; F278-F290 HydrophobicContact CZ-CB 3.81Å; F278-I292 HydrophobicContact CD1-CG2 4.17Å; F278-I292 HydrophobicContact CD2-CG2 4.03Å; F278-I292 HydrophobicContact CE1-CB 3.98Å; F278-I292 HydrophobicContact CE1-CG2 4.02Å; F278-I292 HydrophobicContact CE2-CB 4.34Å; F278-I292 HydrophobicContact CE2-CG2 3.89Å; F278-I292 HydrophobicContact CG-CG2 4.17Å; F278-I292 HydrophobicContact CZ-CB 3.87Å; F278-I292 HydrophobicContact CZ-CG2 3.88Å; F278-I299 HydrophobicContact CE1-CD1 4.37Å; F278-I315 HydrophobicContact CD1-CG2 3.69Å; F278-I315 HydrophobicContact CE1-CG2 3.68Å
279	S	93.5	Very high	93.1	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.021	31%	0.314	C	S	.	.			trans	-51.2	149.9	179	179.3	0	0	0	0	112.5	Y281 A282 R287 D316	S279-Y281 PolarHBondContact O-N 3.33Å; S279-Y281 VanDerWaalsContact O-N 3.09Å; S279-Y281 WeakPolarHBondContact OG-CD2 3.48Å; S279-Y281 PolarHBondContact OG-N 3.07Å; S279-A282 WeakPolarHBondContact O-CB 3.48Å; S279-A282 PolarHBondContact O-N 2.84Å; S279-R287 PolarHBondContact O-NH2 3.24Å; S279-D316 WeakPolarHBondContact CB-O 3.16Å; S279-D316 PolarHBondContact N-O 3.14Å
280	G	88.1	Confident	93.3	Very high	66 Å²	66	54.9 Å²	54.9	68%	0.68	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.7	171.3	0	0	0	0	0	113.9
281	Y	86.9	Confident	93.5	Very high	205 Å²	205	51.9 Å²	51.9	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.2	175.9	-53.6	-67.2	0	0	0	114.2	S279 P283	S279-Y281 PolarHBondContact O-N 3.33Å; S279-Y281 VanDerWaalsContact O-N 3.09Å; S279-Y281 WeakPolarHBondContact OG-CD2 3.48Å; S279-Y281 PolarHBondContact OG-N 3.07Å; Y281-P283 WeakPolarHBondContact O-CD 3.15Å
282	A	89.9	Confident	93.7	Very high	8 Å²	8	52.4 Å²	52.4	7%	0.066	27%	0.274	C	S	.	.	S	Bend	trans	-69.4	120.4	-179.8	0	0	0	0	0	110.5	F278 S279	F278-A282 HydrophobicContact CB-CB 4.08Å; S279-A282 WeakPolarHBondContact O-CB 3.48Å; S279-A282 PolarHBondContact O-N 2.84Å
283	P	91.7	Very high	94	Very high	83 Å²	83	53.9 Å²	53.9	54%	0.539	28%	0.277	S	S	.	.			trans	-68.5	155.1	-174.5	26.3	-32.2	0	0	0	111.8	Y281 R285 I286	Y281-P283 WeakPolarHBondContact O-CD 3.15Å; P283-R285 PolarHBondContact O-N 2.91Å; P283-I286 HydrophobicContact CG-CG1 3.99Å; P283-I286 WeakPolarHBondContact O-CB 3.46Å; P283-I286 PolarHBondContact O-N 3.2Å
284	E	91.2	Very high	94	Very high	127 Å²	127	52.1 Å²	52.1	59%	0.593	28%	0.276	S	S	*	.	H	α-helix	trans	-57.2	-32.1	-169.8	-155.4	61.1	-146.3	0	0	113.5	I286 R287 E288	E284-I286 PolarHBondContact O-N 2.84Å; E284-I286 VanDerWaalsContact O-N 3.14Å; E284-R287 WeakPolarHBondContact O-CA 3.45Å; E284-R287 WeakPolarHBondContact O-CB 3.22Å; E284-R287 PolarHBondContact O-N 2.91Å; E284-R287 WeakPolarHBondContact OE1-CD 3.31Å; E284-R287 WeakPolarHBondContact OE2-CD 3.44Å; E284-E288 PolarHBondContact O-N 3.07Å
285	R	92.3	Very high	93.9	Very high	93 Å²	93	60.3 Å²	60.3	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-53.8	-33.6	173.4	-165.9	65.9	177.7	133	5.6	112.8	P283 R287 E288 L289 E309	P283-R285 PolarHBondContact O-N 2.91Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 2.91Å; R285-E288 VanDerWaalsContact CD-OE2 3.3Å; R285-E288 WeakPolarHBondContact CD-OE2 3.3Å; R285-E288 IonicContact CZ-OE2 3.72Å; R285-E288 IonicContact NE-OE2 3.42Å; R285-E288 IonicContact NH1-OE2 3.32Å; R285-E288 PolarHBondContact NH1-OE2 2.82Å; R285-E288 PolarHBondContact O-N 2.8Å; R285-L289 HydrophobicContact CG-CD1 4.01Å; R285-L289 HydrophobicContact CG-CG 4.3Å; R285-L289 VanDerWaalsContact O-CB 3.31Å; R285-L289 WeakPolarHBondContact O-CB 3.29Å; R285-L289 WeakPolarHBondContact O-CG 3.39Å; R285-L289 PolarHBondContact O-N 2.87Å; R285-E309 IonicContact CZ-OE1 3.65Å; R285-E309 IonicContact CZ-OE2 2.74Å; R285-E309 IonicContact NE-OE1 3.71Å; R285-E309 PolarHBondContact NE-OE1 3.14Å; R285-E309 IonicContact NE-OE2 3.84Å; R285-E309 PolarHBondContact NE-OE2 2.87Å; R285-E309 IonicContact NH2-OE1 2.72Å; R285-E309 IonicContact NH2-OE2 3.4Å; R285-E309 PolarHBondContact NH2-OE2 3.07Å
286	I	94.6	Very high	93.8	Very high	9 Å²	9	61.7 Å²	61.7	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-67.5	-34.4	174.7	-56.8	-57	0	0	0	111.7	F278 P283 E284 F290 I313 I315	F278-I286 HydrophobicContact CD1-CG2 4.31Å; F278-I286 HydrophobicContact CE1-CG2 4.35Å; P283-I286 HydrophobicContact CG-CG1 3.99Å; P283-I286 WeakPolarHBondContact O-CB 3.46Å; P283-I286 PolarHBondContact O-N 3.2Å; E284-I286 PolarHBondContact O-N 2.84Å; E284-I286 VanDerWaalsContact O-N 3.14Å; I286-F290 HydrophobicContact CG2-CD2 4.34Å; I286-F290 WeakPolarHBondContact O-CA 3.39Å; I286-F290 WeakPolarHBondContact O-CB 3.32Å; I286-F290 PolarHBondContact O-N 2.89Å; I286-I313 HydrophobicContact CD1-CG2 3.36Å; I286-I315 HydrophobicContact CD1-CG1 4.38Å; I286-I315 HydrophobicContact CG2-CB 4.46Å; I286-I315 HydrophobicContact CG2-CG1 4.08Å; I286-I315 HydrophobicContact CG2-CG2 3.97Å
287	R	93.2	Very high	93.7	Very high	89 Å²	89	61 Å²	61	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-78	-24	179.4	-57.2	170.8	-178.7	-88.4	-10.2	112.1	F278 S279 E284 R285 Q302	F278-R287 HydrophobicContact CD2-CG 4.23Å; F278-R287 PolarHBondContact O-NH2 2.82Å; S279-R287 PolarHBondContact O-NH2 3.24Å; E284-R287 WeakPolarHBondContact O-CA 3.45Å; E284-R287 WeakPolarHBondContact O-CB 3.22Å; E284-R287 PolarHBondContact O-N 2.91Å; E284-R287 WeakPolarHBondContact OE1-CD 3.31Å; E284-R287 WeakPolarHBondContact OE2-CD 3.44Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 2.91Å; R287-Q302 PolarHBondContact O-NE2 3.49Å; R287-Q302 VanDerWaalsContact O-NE2 3.14Å
288	E	93.9	Very high	93.8	Very high	96 Å²	96	60 Å²	60	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-73.9	-51.8	166.6	-63.7	176	178.2	0	0	111.5	E284 R285 Q302 G303	E284-E288 PolarHBondContact O-N 3.07Å; R285-E288 VanDerWaalsContact CD-OE2 3.3Å; R285-E288 WeakPolarHBondContact CD-OE2 3.3Å; R285-E288 IonicContact CZ-OE2 3.72Å; R285-E288 IonicContact NE-OE2 3.42Å; R285-E288 IonicContact NH1-OE2 3.32Å; R285-E288 PolarHBondContact NH1-OE2 2.82Å; R285-E288 PolarHBondContact O-N 2.8Å; E288-Q302 PolarHBondContact O-NE2 2.91Å; E288-G303 PolarHBondContact O-N 3.2Å
289	L	95.3	Very high	93.8	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-75.8	-30.9	-171.7	-68.8	-176	0	0	0	113.9	R285 Q302 G303 E304 I305 I313	R285-L289 HydrophobicContact CG-CD1 4.01Å; R285-L289 HydrophobicContact CG-CG 4.3Å; R285-L289 VanDerWaalsContact O-CB 3.31Å; R285-L289 WeakPolarHBondContact O-CB 3.29Å; R285-L289 WeakPolarHBondContact O-CG 3.39Å; R285-L289 PolarHBondContact O-N 2.87Å; L289-Q302 PolarHBondContact O-N 2.86Å; L289-G303 PolarHBondContact O-N 3.48Å; L289-E304 WeakPolarHBondContact CD2-O 3.1Å; L289-I305 HydrophobicContact CB-CD1 4.06Å; L289-I305 HydrophobicContact CD1-CD1 4.17Å; L289-I305 HydrophobicContact CD2-CD1 4.18Å; L289-I305 HydrophobicContact CG-CD1 4.36Å; L289-I313 HydrophobicContact CD1-CD1 4.22Å
290	F	97	Very high	94	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.5	-175.4	-57	-86.2	0	0	0	112.2	L258 F278 I286 I299 K300 I301 I305 I313 I315 V335	L258-F290 HydrophobicContact CD2-CD1 4.07Å; L258-F290 HydrophobicContact CD2-CE1 3.92Å; F278-F290 HydrophobicContact CE1-CB 4.46Å; F278-F290 WeakPolarHBondContact CE2-O 3.49Å; F278-F290 HydrophobicContact CZ-CB 3.81Å; I286-F290 HydrophobicContact CG2-CD2 4.34Å; I286-F290 WeakPolarHBondContact O-CA 3.39Å; I286-F290 WeakPolarHBondContact O-CB 3.32Å; I286-F290 PolarHBondContact O-N 2.89Å; F290-I299 HydrophobicContact CB-CG2 4.12Å; F290-I299 HydrophobicContact CD1-CG2 4.15Å; F290-I299 HydrophobicContact CG-CG2 4.48Å; F290-K300 WeakPolarHBondContact CA-O 3.32Å; F290-I301 HydrophobicContact CD1-CG1 4.33Å; F290-I301 HydrophobicContact CE1-CG1 4.09Å; F290-I305 HydrophobicContact CE1-CD1 4.1Å; F290-I305 HydrophobicContact CE2-CD1 4Å; F290-I305 HydrophobicContact CZ-CD1 3.54Å; F290-I313 HydrophobicContact CE2-CD1 4.17Å; F290-I313 HydrophobicContact CE2-CG2 4.12Å; F290-I313 HydrophobicContact CZ-CD1 4.23Å; F290-I315 HydrophobicContact CB-CD1 4.49Å; F290-I315 HydrophobicContact CD1-CD1 4.06Å; F290-I315 HydrophobicContact CD2-CD1 3.71Å; F290-I315 HydrophobicContact CD2-CG1 4.42Å; F290-I315 HydrophobicContact CE1-CD1 4.2Å; F290-I315 HydrophobicContact CE2-CD1 3.87Å; F290-I315 HydrophobicContact CG-CD1 3.82Å; F290-I315 HydrophobicContact CZ-CD1 4.11Å; F290-V335 HydrophobicContact CZ-CG2 4.43Å
291	S	96.6	Very high	94.4	Very high	36 Å²	36	59.3 Å²	59.3	25%	0.252	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.8	170.6	59.3	0	0	0	0	109.3	I299 K300	S291-I299 CarbonylContact O-C 3.5Å; S291-I299 VanDerWaalsContact O-CA 3.3Å; S291-I299 WeakPolarHBondContact O-CA 3.25Å; S291-K300 PolarHBondContact N-O 3Å; S291-K300 PolarHBondContact O-N 3.03Å; S291-K300 PolarHBondContact OG-O 3.03Å
292	I	97.3	Very high	94.8	Very high	30 Å²	30	54.5 Å²	54.5	15%	0.154	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.2	173.5	-172.3	168	0	0	0	109.1	F278 S294 I299 V317	F278-I292 HydrophobicContact CD1-CG2 4.17Å; F278-I292 HydrophobicContact CD2-CG2 4.03Å; F278-I292 HydrophobicContact CE1-CB 3.98Å; F278-I292 HydrophobicContact CE1-CG2 4.02Å; F278-I292 HydrophobicContact CE2-CB 4.34Å; F278-I292 HydrophobicContact CE2-CG2 3.89Å; F278-I292 HydrophobicContact CG-CG2 4.17Å; F278-I292 HydrophobicContact CZ-CB 3.87Å; F278-I292 HydrophobicContact CZ-CG2 3.88Å; I292-S294 PolarHBondContact O-N 3.14Å; I292-I299 HydrophobicContact CB-CG1 4.16Å; I292-I299 HydrophobicContact CD1-CD1 4.28Å; I292-I299 HydrophobicContact CD1-CG1 3.91Å; I292-I299 HydrophobicContact CG1-CG1 3.91Å; I292-V317 HydrophobicContact CD1-CG1 3.7Å
293	D	96.8	Very high	94.9	Very high	49 Å²	49	54.9 Å²	54.9	26%	0.262	27%	0.27	S	S	.	.			trans	-77.7	116	173.8	-178.3	-70.8	0	0	0	109.4	R295 T296 G297 V298	D293-R295 PolarHBondContact O-N 3.03Å; D293-R295 PolarHBondContact OD1-N 2.89Å; D293-R295 VanDerWaalsContact OD1-N 3.09Å; D293-T296 VanDerWaalsContact CB-OG1 3.23Å; D293-T296 WeakPolarHBondContact CB-OG1 3.38Å; D293-T296 PolarHBondContact O-N 3.39Å; D293-T296 PolarHBondContact OD1-N 3.24Å; D293-T296 PolarHBondContact OD1-OG1 3.45Å; D293-G297 PolarHBondContact O-N 2.82Å; D293-V298 PolarHBondContact N-O 2.62Å
294	S	95.5	Very high	95	Very high	58 Å²	58	58.8 Å²	58.8	41%	0.406	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.4	-168.6	61.5	0	0	0	0	115.3	V275 Y276 I292	V275-S294 CarbonylContact C-O 3.59Å; V275-S294 WeakPolarHBondContact CA-O 3.42Å; V275-S294 WeakPolarHBondContact CG1-O 3.34Å; Y276-S294 PolarHBondContact N-O 3.41Å; Y276-S294 VanDerWaalsContact O-CA 3.31Å; Y276-S294 WeakPolarHBondContact O-CA 3.48Å; Y276-S294 VanDerWaalsContact O-CB 3.29Å; Y276-S294 WeakPolarHBondContact O-CB 3.45Å; I292-S294 PolarHBondContact O-N 3.14Å
295	R	93.4	Very high	95.2	Very high	194 Å²	194	53 Å²	53	73%	0.732	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-20.9	177.9	-65.4	176.3	-62.6	-156.5	-2.3	113.7	D293	D293-R295 PolarHBondContact O-N 3.03Å; D293-R295 PolarHBondContact OD1-N 2.89Å; D293-R295 VanDerWaalsContact OD1-N 3.09Å
296	T	94.6	Very high	95.4	Very high	71 Å²	71	51.6 Å²	51.6	44%	0.436	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-8.1	-176.7	55.7	0	0	0	0	113.6	D293 V298	D293-T296 VanDerWaalsContact CB-OG1 3.23Å; D293-T296 WeakPolarHBondContact CB-OG1 3.38Å; D293-T296 PolarHBondContact O-N 3.39Å; D293-T296 PolarHBondContact OD1-N 3.24Å; D293-T296 PolarHBondContact OD1-OG1 3.45Å; T296-V298 PolarHBondContact O-N 2.93Å
297	G	93.8	Very high	95.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.			trans	72.3	-12.5	180	0	0	0	0	0	114.7	D293 I299	D293-G297 PolarHBondContact O-N 2.82Å; G297-I299 PolarHBondContact O-N 2.86Å
298	V	97.3	Very high	95.5	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.115	26%	0.258	C	S	.	.			trans	-57.9	118	179.5	-175.2	0	0	0	0	111.3	V257 I259 D260 D293 T296 K300	V257-V298 HydrophobicContact CB-CG1 4.42Å; V257-V298 HydrophobicContact CG1-CG1 3.75Å; V257-V298 HydrophobicContact CG2-CG1 3.87Å; I259-V298 WeakPolarHBondContact O-CA 3.33Å; D260-V298 VanDerWaalsContact OD1-CG2 3.27Å; D260-V298 WeakPolarHBondContact OD1-CG2 3.15Å; D293-V298 PolarHBondContact N-O 2.62Å; T296-V298 PolarHBondContact O-N 2.93Å; V298-K300 HydrophobicContact CG1-CG 4.18Å
299	I	97.5	Very high	95.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.6	170.7	-58.3	-179.9	0	0	0	109.4	L258 I259 L261 F278 F290 S291 I292 G297 I315 V317 V333	L258-I299 HydrophobicContact CB-CB 4.4Å; L258-I299 HydrophobicContact CB-CG2 4.22Å; L258-I299 HydrophobicContact CD2-CB 4.3Å; L258-I299 HydrophobicContact CD2-CG2 3.74Å; L258-I299 PolarHBondContact N-O 2.62Å; I259-I299 HydrophobicContact CG2-CB 4.04Å; I259-I299 HydrophobicContact CG2-CD1 4.09Å; I259-I299 HydrophobicContact CG2-CG1 4.26Å; I259-I299 PolarHBondContact O-N 2.95Å; L261-I299 HydrophobicContact CD1-CD1 3.64Å; L261-I299 HydrophobicContact CD1-CG1 4.13Å; L261-I299 HydrophobicContact CG-CD1 4.49Å; F278-I299 HydrophobicContact CE1-CD1 4.37Å; F290-I299 HydrophobicContact CB-CG2 4.12Å; F290-I299 HydrophobicContact CD1-CG2 4.15Å; F290-I299 HydrophobicContact CG-CG2 4.48Å; S291-I299 CarbonylContact O-C 3.5Å; S291-I299 VanDerWaalsContact O-CA 3.3Å; S291-I299 WeakPolarHBondContact O-CA 3.25Å; I292-I299 HydrophobicContact CB-CG1 4.16Å; I292-I299 HydrophobicContact CD1-CD1 4.28Å; I292-I299 HydrophobicContact CD1-CG1 3.91Å; I292-I299 HydrophobicContact CG1-CG1 3.91Å; G297-I299 PolarHBondContact O-N 2.86Å; I299-I315 HydrophobicContact CD1-CG2 4.45Å; I299-V317 HydrophobicContact CD1-CG2 3.97Å; I299-V333 HydrophobicContact CD1-CG2 4.33Å
300	K	96.6	Very high	95.3	Very high	68 Å²	68	54.2 Å²	54.2	30%	0.296	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.4	176.9	-66.2	159.5	-169.5	153.2	0	110.5	K256 V257 F290 S291 V298	K256-K300 CarbonylContact O-C 3.59Å; K256-K300 VanDerWaalsContact O-CA 3.31Å; K256-K300 WeakPolarHBondContact O-CA 3.31Å; V257-K300 HydrophobicContact CG2-CG 3.96Å; F290-K300 WeakPolarHBondContact CA-O 3.32Å; S291-K300 PolarHBondContact N-O 3Å; S291-K300 PolarHBondContact O-N 3.03Å; S291-K300 PolarHBondContact OG-O 3.03Å; V298-K300 HydrophobicContact CG1-CG 4.18Å
301	I	96.8	Very high	95.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136.4	171.1	-59.4	175.9	0	0	0	108.7	I248 S252 G255 K256 F290 G303 I305	I248-I301 HydrophobicContact CD1-CD1 3.83Å; S252-I301 VanDerWaalsContact CB-CD1 3.45Å; G255-I301 PolarHBondContact N-O 3.48Å; K256-I301 HydrophobicContact CB-CD1 4.43Å; K256-I301 HydrophobicContact CD-CD1 4.12Å; K256-I301 PolarHBondContact O-N 3.49Å; F290-I301 HydrophobicContact CD1-CG1 4.33Å; F290-I301 HydrophobicContact CE1-CG1 4.09Å; I301-G303 WeakPolarHBondContact CG2-O 3.46Å; I301-I305 HydrophobicContact CD1-CG1 4.43Å; I301-I305 HydrophobicContact CG2-CD1 4.47Å; I301-I305 HydrophobicContact CG2-CG1 4Å
302	Q	95.4	Very high	95.1	Very high	105 Å²	105	58.5 Å²	58.5	49%	0.491	30%	0.3	S	S	.	.			trans	-123.4	-41.4	180	-175.9	-179.6	-84	0	0	111.9	R287 E288 L289	R287-Q302 PolarHBondContact O-NE2 3.49Å; R287-Q302 VanDerWaalsContact O-NE2 3.14Å; E288-Q302 PolarHBondContact O-NE2 2.91Å; L289-Q302 PolarHBondContact O-N 2.86Å
303	G	93.1	Very high	95	Very high	16 Å²	16	57.8 Å²	57.8	17%	0.165	30%	0.297	C	S	.	.	S	Bend	trans	-97.8	-176.1	175.4	0	0	0	0	0	113.2	E288 L289 I301	E288-G303 PolarHBondContact O-N 3.2Å; L289-G303 PolarHBondContact O-N 3.48Å; I301-G303 WeakPolarHBondContact CG2-O 3.46Å
304	E	93.5	Very high	94.9	Very high	165 Å²	165	60.1 Å²	60.1	77%	0.771	31%	0.306	S	S	*	.			trans	-84.6	125.8	174.6	-65.9	174.4	158.2	0	0	109.4	L289	L289-E304 WeakPolarHBondContact CD2-O 3.1Å
305	I	95.2	Very high	94.9	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.287	C	S	.	.			trans	-95.1	125	177.9	-54.6	-63	0	0	0	108.4	I248 E250 N251 L289 F290 I301 I313 V337	I248-I305 HydrophobicContact CD1-CG1 4.21Å; I248-I305 HydrophobicContact CD1-CG2 4.25Å; E250-I305 WeakPolarHBondContact CB-O 3.22Å; N251-I305 PolarHBondContact N-O 3.32Å; L289-I305 HydrophobicContact CB-CD1 4.06Å; L289-I305 HydrophobicContact CD1-CD1 4.17Å; L289-I305 HydrophobicContact CD2-CD1 4.18Å; L289-I305 HydrophobicContact CG-CD1 4.36Å; F290-I305 HydrophobicContact CE1-CD1 4.1Å; F290-I305 HydrophobicContact CE2-CD1 4Å; F290-I305 HydrophobicContact CZ-CD1 3.54Å; I301-I305 HydrophobicContact CD1-CG1 4.43Å; I301-I305 HydrophobicContact CG2-CD1 4.47Å; I301-I305 HydrophobicContact CG2-CG1 4Å; I305-I313 HydrophobicContact CD1-CD1 4.33Å; I305-I313 HydrophobicContact CG2-CD1 4.4Å; I305-V337 HydrophobicContact CG2-CB 4.47Å; I305-V337 HydrophobicContact CG2-CG1 3.85Å; I305-V337 HydrophobicContact CG2-CG2 3.7Å
306	D	95.1	Very high	95	Very high	65 Å²	65	50.7 Å²	50.7	35%	0.348	27%	0.265	S	S	.	.			trans	-123.5	125.7	-174.5	173.5	-30.7	0	0	0	108.5	E308 E309 S310	D306-E308 WeakPolarHBondContact OD1-CA 3.31Å; D306-E308 WeakPolarHBondContact OD1-CB 3.33Å; D306-E308 PolarHBondContact OD1-N 2.78Å; D306-E309 HydrophobicContact CB-CB 4.07Å; D306-E309 PolarHBondContact OD1-N 2.93Å; D306-S310 PolarHBondContact O-N 3.31Å
307	Y	95.8	Very high	95.1	Very high	53 Å²	53	47.3 Å²	47.3	21%	0.208	25%	0.245	C	C	.	.	H	α-helix	trans	-75.5	-33.3	-178.4	178.3	-89.2	0	0	0	112.7	E250 S310 S311 V337 D339	E250-Y307 VanDerWaalsContact OE1-CB 3.23Å; E250-Y307 WeakPolarHBondContact OE1-CB 3.12Å; E250-Y307 WeakPolarHBondContact OE2-CB 3.18Å; E250-Y307 PolarHBondContact OE2-N 2.74Å; Y307-S310 CarbonylContact O-C 3.59Å; Y307-S310 PolarHBondContact O-N 3.49Å; Y307-S311 PolarHBondContact O-N 2.84Å; Y307-V337 HydrophobicContact CD2-CB 4Å; Y307-V337 HydrophobicContact CD2-CG1 4.03Å; Y307-V337 WeakPolarHBondContact CD2-O 3Å; Y307-V337 WeakPolarHBondContact CE2-O 3.38Å; Y307-V337 HydrophobicContact CG-CG1 4.49Å; Y307-D339 HydrophobicContact CD1-CB 4.24Å; Y307-D339 HydrophobicContact CD2-CB 4.13Å; Y307-D339 HydrophobicContact CE1-CB 4.19Å; Y307-D339 HydrophobicContact CE2-CB 4.06Å; Y307-D339 HydrophobicContact CG-CB 4.23Å
308	E	95.1	Very high	95.1	Very high	58 Å²	58	49.7 Å²	49.7	27%	0.271	26%	0.256	S	S	.	.	H	α-helix	trans	-71.5	-29.6	176.2	-80.7	78.1	-121.5	0	0	113.2	D306 N343 K375	D306-E308 WeakPolarHBondContact OD1-CA 3.31Å; D306-E308 WeakPolarHBondContact OD1-CB 3.33Å; D306-E308 PolarHBondContact OD1-N 2.78Å; E308-N343 PolarHBondContact OE2-ND2 3.43Å; E308-K375 HydrophobicContact CG-CB 3.71Å; E308-K375 HydrophobicContact CG-CD 4Å
309	E	92.6	Very high	95.1	Very high	90 Å²	90	48.8 Å²	48.8	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-69.8	-50.2	168.4	-171.5	-173.8	172.7	0	0	110.5	R285 D306	R285-E309 IonicContact CZ-OE1 3.65Å; R285-E309 IonicContact CZ-OE2 2.74Å; R285-E309 IonicContact NE-OE1 3.71Å; R285-E309 PolarHBondContact NE-OE1 3.14Å; R285-E309 IonicContact NE-OE2 3.84Å; R285-E309 PolarHBondContact NE-OE2 2.87Å; R285-E309 IonicContact NH2-OE1 2.72Å; R285-E309 IonicContact NH2-OE2 3.4Å; R285-E309 PolarHBondContact NH2-OE2 3.07Å; D306-E309 HydrophobicContact CB-CB 4.07Å; D306-E309 PolarHBondContact OD1-N 2.93Å
310	S	92.5	Very high	95	Very high	54 Å²	54	52.2 Å²	52.2	38%	0.378	27%	0.265	S	S	.	.	H	α-helix	trans	-160.5	94.9	-177.8	-76.3	0	0	0	0	114.2	D306 Y307 V312 V337	D306-S310 PolarHBondContact O-N 3.31Å; Y307-S310 CarbonylContact O-C 3.59Å; Y307-S310 PolarHBondContact O-N 3.49Å; S310-V312 PolarHBondContact O-N 2.99Å; S310-V312 VanDerWaalsContact O-N 3.13Å; S310-V337 WeakPolarHBondContact O-CG2 3.17Å
311	S	94	Very high	94.9	Very high	51 Å²	51	49.2 Å²	49.2	36%	0.357	25%	0.252	S	S	.	.	S	Bend	trans	-58.6	-20.5	172.9	58.9	0	0	0	0	115.7	Y307 V337	Y307-S311 PolarHBondContact O-N 2.84Å; S311-V337 PolarHBondContact O-N 3.19Å
312	V	95.6	Very high	94.8	Very high	77 Å²	77	53 Å²	53	47%	0.467	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.3	172.1	-177.6	0	0	0	0	109.4	S310 T334 V335	S310-V312 PolarHBondContact O-N 2.99Å; S310-V312 VanDerWaalsContact O-N 3.13Å; V312-T334 HydrophobicContact CG1-CG2 3.64Å; V312-V335 WeakPolarHBondContact CA-O 3.48Å
313	I	95.3	Very high	94.5	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.077	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	179	-51.7	171.9	0	0	0	108.6	I286 L289 F290 I305 I315 V335 V337	I286-I313 HydrophobicContact CD1-CG2 3.36Å; L289-I313 HydrophobicContact CD1-CD1 4.22Å; F290-I313 HydrophobicContact CE2-CD1 4.17Å; F290-I313 HydrophobicContact CE2-CG2 4.12Å; F290-I313 HydrophobicContact CZ-CD1 4.23Å; I305-I313 HydrophobicContact CD1-CD1 4.33Å; I305-I313 HydrophobicContact CG2-CD1 4.4Å; I313-I315 HydrophobicContact CG2-CG1 4.47Å; I313-V335 HydrophobicContact CB-CB 4.33Å; I313-V335 PolarHBondContact N-O 3.5Å; I313-V335 PolarHBondContact O-N 2.68Å; I313-V337 HydrophobicContact CD1-CG2 4.11Å; I313-V337 HydrophobicContact CG1-CG2 4.36Å
314	E	95.1	Very high	94.1	Very high	98 Å²	98	52 Å²	52	46%	0.458	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.1	175.4	-59	-161.4	138.8	0	0	110.9	K332 T334	E314-K332 HydrophobicContact CB-CD 4.26Å; E314-K332 HydrophobicContact CG-CD 4.37Å; E314-K332 IonicContact OE2-NZ 2.97Å; E314-K332 PolarHBondContact OE2-NZ 2.81Å; E314-T334 HydrophobicContact CG-CG2 4.48Å
315	I	95.6	Very high	93.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	105.6	180	-54.7	175.5	0	0	0	107.8	L258 F278 I286 F290 I299 I313 V317 V333 V335	L258-I315 HydrophobicContact CD2-CD1 4.06Å; F278-I315 HydrophobicContact CD1-CG2 3.69Å; F278-I315 HydrophobicContact CE1-CG2 3.68Å; I286-I315 HydrophobicContact CD1-CG1 4.38Å; I286-I315 HydrophobicContact CG2-CB 4.46Å; I286-I315 HydrophobicContact CG2-CG1 4.08Å; I286-I315 HydrophobicContact CG2-CG2 3.97Å; F290-I315 HydrophobicContact CB-CD1 4.49Å; F290-I315 HydrophobicContact CD1-CD1 4.06Å; F290-I315 HydrophobicContact CD2-CD1 3.71Å; F290-I315 HydrophobicContact CD2-CG1 4.42Å; F290-I315 HydrophobicContact CE1-CD1 4.2Å; F290-I315 HydrophobicContact CE2-CD1 3.87Å; F290-I315 HydrophobicContact CG-CD1 3.82Å; F290-I315 HydrophobicContact CZ-CD1 4.11Å; I299-I315 HydrophobicContact CD1-CG2 4.45Å; I313-I315 HydrophobicContact CG2-CG1 4.47Å; I315-V317 HydrophobicContact CG2-CG2 3.88Å; I315-V317 PolarHBondContact O-N 3.09Å; I315-V333 HydrophobicContact CB-CB 4.27Å; I315-V333 PolarHBondContact N-O 2.87Å; I315-V333 PolarHBondContact O-N 2.87Å; I315-V335 HydrophobicContact CD1-CG2 3.84Å; I315-V335 HydrophobicContact CG1-CG2 4.45Å
316	D	94.6	Very high	93.7	Very high	54 Å²	54	53.3 Å²	53.3	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.2	170.5	-69.8	-42.9	0	0	0	109.7	S279 K332	S279-D316 WeakPolarHBondContact CB-O 3.16Å; S279-D316 PolarHBondContact N-O 3.14Å; D316-K332 WeakPolarHBondContact OD1-CE 2.82Å; D316-K332 IonicContact OD1-NZ 3.11Å
317	V	96	Very high	93.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.9	-178	-173.5	0	0	0	0	109.3	F239 L261 I292 I299 I315 H330 C331 V333	F239-V317 HydrophobicContact CE1-CG1 4.43Å; F239-V317 HydrophobicContact CZ-CG1 4.02Å; L261-V317 HydrophobicContact CD1-CB 4.35Å; L261-V317 HydrophobicContact CD1-CG1 3.96Å; L261-V317 HydrophobicContact CD1-CG2 3.97Å; I292-V317 HydrophobicContact CD1-CG1 3.7Å; I299-V317 HydrophobicContact CD1-CG2 3.97Å; I315-V317 HydrophobicContact CG2-CG2 3.88Å; I315-V317 PolarHBondContact O-N 3.09Å; V317-H330 WeakPolarHBondContact O-CA 3.5Å; V317-H330 PolarHBondContact O-ND1 3.26Å; V317-C331 PolarHBondContact N-O 2.68Å; V317-C331 PolarHBondContact O-N 2.84Å; V317-V333 HydrophobicContact CG2-CG2 4.15Å
318	Q	95.4	Very high	93.2	Very high	49 Å²	49	53.3 Å²	53.3	23%	0.229	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.5	170.3	70.9	-171.6	17.8	0	0	110.1	S277 G329	S277-Q318 PolarHBondContact N-O 2.7Å; S277-Q318 PolarHBondContact O-N 2.99Å; S277-Q318 VanDerWaalsContact O-O 3.07Å; S277-Q318 WeakPolarHBondContact OG-CG 2.8Å; S277-Q318 PolarHBondContact OG-NE2 3.42Å; Q318-G329 CarbonylContact C-O 3.5Å; Q318-G329 VanDerWaalsContact CA-O 3.29Å; Q318-G329 WeakPolarHBondContact CA-O 3.33Å
319	A	96.4	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.3	165.4	0	0	0	0	0	107.5	P237 F239 A263 V274 Y276 P328 G329	P237-A319 HydrophobicContact CB-CB 3.81Å; F239-A319 HydrophobicContact CD2-CB 4.45Å; F239-A319 HydrophobicContact CE1-CB 4.15Å; F239-A319 HydrophobicContact CE2-CB 3.55Å; F239-A319 HydrophobicContact CZ-CB 3.38Å; A263-A319 HydrophobicContact CB-CB 3.78Å; V274-A319 HydrophobicContact CG1-CB 3.69Å; Y276-A319 HydrophobicContact CD1-CB 4.18Å; Y276-A319 HydrophobicContact CE1-CB 4.24Å; A319-P328 CarbonylContact O-C 3.03Å; A319-P328 WeakPolarHBondContact O-CA 3.3Å; A319-G329 PolarHBondContact N-O 2.73Å; A319-G329 PolarHBondContact O-N 3.06Å
320	K	94.8	Very high	93.2	Very high	73 Å²	73	51.6 Å²	51.6	32%	0.317	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	137.8	-176.3	-156.5	-179.5	-167.7	-169.7	0	110.8	V274 V275 P326	V274-K320 CarbonylContact C-O 3.34Å; V275-K320 PolarHBondContact N-O 3.47Å; V275-K320 PolarHBondContact O-N 2.92Å; K320-P326 HydrophobicContact CD-CB 4.27Å; K320-P326 HydrophobicContact CD-CG 4.49Å; K320-P326 WeakPolarHBondContact CE-O 3.33Å; K320-P326 HydrophobicContact CG-CB 4.25Å; K320-P326 PolarHBondContact NZ-O 2.82Å
321	D	95.4	Very high	93.4	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	27%	0.274	C	S	.	.			trans	-68.4	176.8	172.8	63.5	79	0	0	0	113.1	N233 P237 N271 Q273 G323 P326 I327	N233-D321 PolarHBondContact ND2-OD2 3.11Å; N233-D321 PolarHBondContact OD1-OD1 2.88Å; P237-D321 HydrophobicContact CG-CB 4.45Å; N271-D321 WeakPolarHBondContact O-CB 3.44Å; Q273-D321 CarbonylContact O-C 3.59Å; D321-G323 WeakPolarHBondContact OD1-CA 3.39Å; D321-G323 PolarHBondContact OD1-N 2.99Å; D321-P326 WeakPolarHBondContact OD1-CA 3.49Å; D321-P326 WeakPolarHBondContact OD1-CB 3.42Å; D321-P326 WeakPolarHBondContact OD2-CA 3.43Å; D321-I327 PolarHBondContact OD2-N 2.8Å
322	L	93.7	Very high	93.4	Very high	83 Å²	83	49.8 Å²	49.8	44%	0.435	27%	0.269	S	S	.	.	S	Bend	trans	-111.8	18.1	173.2	-68.7	177.4	0	0	0	112.9	N270 Q273 V275	N270-L322 HydrophobicContact CB-CB 4.33Å; N270-L322 CarbonylContact O-C 3.54Å; N270-L322 WeakPolarHBondContact O-CA 3.22Å; N270-L322 WeakPolarHBondContact O-CB 3.43Å; N270-L322 PolarHBondContact O-N 2.9Å; N270-L322 VanDerWaalsContact O-N 3.14Å; Q273-L322 HydrophobicContact CB-CD1 4.27Å; Q273-L322 HydrophobicContact CG-CD1 3.96Å; Q273-L322 PolarHBondContact O-N 2.94Å; V275-L322 HydrophobicContact CG2-CD1 3.82Å; V275-L322 HydrophobicContact CG2-CD2 3.83Å; V275-L322 HydrophobicContact CG2-CG 3.75Å
323	G	90.3	Very high	93.5	Very high	12 Å²	12	46.1 Å²	46.1	12%	0.124	25%	0.247	C	C	.	.	S	Bend	trans	-81	-177.8	-179.9	0	0	0	0	0	114.5	N233 N270 N271 D321 P326	N233-G323 WeakPolarHBondContact OD1-CA 3.41Å; N270-G323 PolarHBondContact O-N 2.88Å; N271-G323 WeakPolarHBondContact OD1-CA 3.44Å; D321-G323 WeakPolarHBondContact OD1-CA 3.39Å; D321-G323 PolarHBondContact OD1-N 2.99Å; G323-P326 WeakPolarHBondContact O-CD 3.38Å
324	P	85	Confident	93.6	Very high	87 Å²	87	46.6 Å²	46.6	57%	0.565	25%	0.251	S	S	*	.	S	Bend	trans	-80.8	122.5	176.1	31.6	-31.9	0	0	0	111.5	N271	N271-P324 VanDerWaalsContact OD1-CD 3.26Å; N271-P324 WeakPolarHBondContact OD1-CD 3.16Å
325	N	87.9	Confident	93.6	Very high	149 Å²	149	41.9 Å²	41.9	80%	0.797	23%	0.229	S	C	*	.	S	Bend	trans	67.3	52.6	-168.2	-44	-71.8	0	0	0	113.5	I327	N325-I327 WeakPolarHBondContact O-CG1 3.37Å
326	P	90.8	Very high	93.7	Very high	47 Å²	47	45.9 Å²	45.9	31%	0.305	25%	0.246	S	C	.	.			trans	-62.6	140	-164.1	26.9	-35.1	0	0	0	112.3	K320 D321 G323	K320-P326 HydrophobicContact CD-CB 4.27Å; K320-P326 HydrophobicContact CD-CG 4.49Å; K320-P326 WeakPolarHBondContact CE-O 3.33Å; K320-P326 HydrophobicContact CG-CB 4.25Å; K320-P326 PolarHBondContact NZ-O 2.82Å; D321-P326 WeakPolarHBondContact OD1-CA 3.49Å; D321-P326 WeakPolarHBondContact OD1-CB 3.42Å; D321-P326 WeakPolarHBondContact OD2-CA 3.43Å; G323-P326 WeakPolarHBondContact O-CD 3.38Å
327	I	88.8	Confident	93.8	Very high	58 Å²	58	43.6 Å²	43.6	30%	0.297	23%	0.234	S	C	.	.			trans	-108.8	128.9	-166.4	-51.3	-176.8	0	0	0	110.6	S236 P237 D321 N325	S236-I327 VanDerWaalsContact CB-CG2 3.49Å; P237-I327 WeakPolarHBondContact CD-O 3.23Å; D321-I327 PolarHBondContact OD2-N 2.8Å; N325-I327 WeakPolarHBondContact O-CG1 3.37Å
328	P	92.7	Very high	93.7	Very high	60 Å²	60	47.1 Å²	47.1	39%	0.39	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.6	-177	33.8	-32.3	0	0	0	113.3	A319	A319-P328 CarbonylContact O-C 3.03Å; A319-P328 WeakPolarHBondContact O-CA 3.3Å
329	G	93.8	Very high	93.7	Very high	10 Å²	10	46.4 Å²	46.4	10%	0.103	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	153.1	159	0	0	0	0	0	111.7	P237 Q318 A319	P237-G329 WeakPolarHBondContact O-CA 3.16Å; Q318-G329 CarbonylContact C-O 3.5Å; Q318-G329 VanDerWaalsContact CA-O 3.29Å; Q318-G329 WeakPolarHBondContact CA-O 3.33Å; A319-G329 PolarHBondContact N-O 2.73Å; A319-G329 PolarHBondContact O-N 3.06Å
330	H	94.2	Very high	93.7	Very high	103 Å²	103	53 Å²	53	48%	0.477	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143	-175.4	-70.1	-66.2	0	0	0	113.3	V317	V317-H330 WeakPolarHBondContact O-CA 3.5Å; V317-H330 PolarHBondContact O-ND1 3.26Å
331	C	95.3	Very high	93.7	Very high	7 Å²	7	50.7 Å²	50.7	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.4	166.8	73.5	0	0	0	0	111.4	F239 S242 Y244 V317	F239-C331 HydrophobicContact CB-CB 4.09Å; F239-C331 HydrophobicContact CD1-CB 4.19Å; F239-C331 VanDerWaalsContact CD1-SG 3.57Å; F239-C331 HydrophobicContact CD2-CB 3.67Å; F239-C331 VanDerWaalsContact CE1-SG 3.52Å; F239-C331 HydrophobicContact CE2-CB 4.07Å; F239-C331 HydrophobicContact CG-CB 3.73Å; F239-C331 HydrophobicContact CZ-CB 4.48Å; S242-C331 WeakPolarHBondContact O-CA 3.33Å; Y244-C331 HydrophobicContact CE2-CB 4.13Å; V317-C331 PolarHBondContact N-O 2.68Å; V317-C331 PolarHBondContact O-N 2.84Å
332	K	95.6	Very high	93.6	Very high	59 Å²	59	53.9 Å²	53.9	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.7	175.1	173.1	163.9	-72	-166.3	0	111.8	S242 S243 Y244 E314 D316	S242-K332 PolarHBondContact O-N 2.98Å; S243-K332 CarbonylContact C-O 3.52Å; S243-K332 WeakPolarHBondContact CA-O 3.42Å; Y244-K332 PolarHBondContact N-O 2.73Å; E314-K332 HydrophobicContact CB-CD 4.26Å; E314-K332 HydrophobicContact CG-CD 4.37Å; E314-K332 IonicContact OE2-NZ 2.97Å; E314-K332 PolarHBondContact OE2-NZ 2.81Å; D316-K332 WeakPolarHBondContact OD1-CE 2.82Å; D316-K332 IonicContact OD1-NZ 3.11Å
333	V	96.6	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.4	168.9	-175.5	0	0	0	0	108.9	Y244 V246 L258 I259 L261 I299 I315 V317 V335	Y244-V333 HydrophobicContact CD2-CG2 4.23Å; V246-V333 HydrophobicContact CG2-CG1 4.17Å; L258-V333 HydrophobicContact CD2-CG1 4.44Å; I259-V333 HydrophobicContact CG2-CG1 4.22Å; L261-V333 HydrophobicContact CD1-CG2 4.09Å; L261-V333 HydrophobicContact CD2-CG2 4.08Å; I299-V333 HydrophobicContact CD1-CG2 4.33Å; I315-V333 HydrophobicContact CB-CB 4.27Å; I315-V333 PolarHBondContact N-O 2.87Å; I315-V333 PolarHBondContact O-N 2.87Å; V317-V333 HydrophobicContact CG2-CG2 4.15Å; V333-V335 HydrophobicContact CG1-CG2 4.23Å
334	T	96.9	Very high	93.8	Very high	25 Å²	25	58 Å²	58	15%	0.153	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.9	174	-57.5	0	0	0	0	109.2	Y244 V245 V246 V312 E314	Y244-T334 PolarHBondContact O-N 2.69Å; V245-T334 WeakPolarHBondContact CA-O 3.46Å; V246-T334 PolarHBondContact N-O 3.26Å; V312-T334 HydrophobicContact CG1-CG2 3.64Å; E314-T334 HydrophobicContact CG-CG2 4.48Å
335	V	96.9	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.3	175.3	-174.1	0	0	0	0	108.6	V246 I248 L258 F290 V312 I313 I315 V333	V246-V335 CarbonylContact O-C 3.53Å; V246-V335 WeakPolarHBondContact O-CA 3.46Å; I248-V335 HydrophobicContact CD1-CG1 3.64Å; I248-V335 HydrophobicContact CG1-CG1 3.66Å; L258-V335 HydrophobicContact CD1-CG1 4.05Å; L258-V335 HydrophobicContact CD1-CG2 4.05Å; L258-V335 HydrophobicContact CD2-CG2 3.66Å; L258-V335 HydrophobicContact CG-CG2 4.43Å; F290-V335 HydrophobicContact CZ-CG2 4.43Å; V312-V335 WeakPolarHBondContact CA-O 3.48Å; I313-V335 HydrophobicContact CB-CB 4.33Å; I313-V335 PolarHBondContact N-O 3.5Å; I313-V335 PolarHBondContact O-N 2.68Å; I315-V335 HydrophobicContact CD1-CG2 3.84Å; I315-V335 HydrophobicContact CG1-CG2 4.45Å; V333-V335 HydrophobicContact CG1-CG2 4.23Å
336	K	96.7	Very high	94.6	Very high	83 Å²	83	49.8 Å²	49.8	36%	0.361	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.6	164.9	-55.3	-173.7	-155.3	156	0	108.7	V245 V246 E247 I248	V245-K336 HydrophobicContact CG1-CD 4.49Å; V245-K336 HydrophobicContact CG1-CG 4.41Å; V246-K336 PolarHBondContact O-N 2.83Å; E247-K336 WeakPolarHBondContact CA-O 3.3Å; E247-K336 HydrophobicContact CG-CB 4.24Å; E247-K336 HydrophobicContact CG-CD 4.22Å; E247-K336 WeakPolarHBondContact OE1-CD 3.3Å; E247-K336 WeakPolarHBondContact OE1-CE 3.36Å; E247-K336 IonicContact OE1-NZ 3.5Å; E247-K336 PolarHBondContact OE1-NZ 2.9Å; I248-K336 PolarHBondContact N-O 2.71Å
337	V	96.4	Very high	94.8	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.1	171.5	-171.5	0	0	0	0	108.2	I248 E250 I305 Y307 S310 S311 I313	I248-V337 CarbonylContact O-C 3.59Å; I248-V337 WeakPolarHBondContact O-CA 3.26Å; E250-V337 HydrophobicContact CB-CG1 3.57Å; I305-V337 HydrophobicContact CG2-CB 4.47Å; I305-V337 HydrophobicContact CG2-CG1 3.85Å; I305-V337 HydrophobicContact CG2-CG2 3.7Å; Y307-V337 HydrophobicContact CD2-CB 4Å; Y307-V337 HydrophobicContact CD2-CG1 4.03Å; Y307-V337 WeakPolarHBondContact CD2-O 3Å; Y307-V337 WeakPolarHBondContact CE2-O 3.38Å; Y307-V337 HydrophobicContact CG-CG1 4.49Å; S310-V337 WeakPolarHBondContact O-CG2 3.17Å; S311-V337 PolarHBondContact O-N 3.19Å; I313-V337 HydrophobicContact CD1-CG2 4.11Å; I313-V337 HydrophobicContact CG1-CG2 4.36Å
338	L	95	Very high	95	Very high	75 Å²	75	46.7 Å²	46.7	39%	0.393	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109.4	177.9	-57.1	175.1	0	0	0	109.3	E247 I248 P249 E250	E247-L338 HydrophobicContact CB-CD1 4.06Å; E247-L338 HydrophobicContact CB-CD2 4.4Å; E247-L338 HydrophobicContact CB-CG 4.27Å; I248-L338 PolarHBondContact O-N 2.91Å; P249-L338 WeakPolarHBondContact CA-O 3.22Å; E250-L338 PolarHBondContact N-O 3.37Å
339	D	95.6	Very high	94.8	Very high	34 Å²	34	46.6 Å²	46.6	18%	0.182	23%	0.229	C	C	.	.			trans	-34.5	128.2	170.8	178.3	-16.4	0	0	0	114.1	E250 Y307 S377 N380	E250-D339 WeakPolarHBondContact OE1-CA 3.34Å; Y307-D339 HydrophobicContact CD1-CB 4.24Å; Y307-D339 HydrophobicContact CD2-CB 4.13Å; Y307-D339 HydrophobicContact CE1-CB 4.19Å; Y307-D339 HydrophobicContact CE2-CB 4.06Å; Y307-D339 HydrophobicContact CG-CB 4.23Å; D339-S377 WeakPolarHBondContact OD2-CA 3.16Å; D339-S377 WeakPolarHBondContact OD2-CB 3.13Å; D339-S377 PolarHBondContact OD2-N 3.2Å; D339-N380 PolarHBondContact OD1-ND2 2.91Å
340	R	94.4	Very high	94.3	Very high	138 Å²	138	50.1 Å²	50.1	52%	0.521	25%	0.248	S	C	.	.			trans	-127.1	128	173.8	-67.7	-59.6	-168.1	174.8	-2.4	109.7	P249 E250 D342	P249-R340 HydrophobicContact CB-CG 4.22Å; E250-R340 HydrophobicContact CG-CB 3.74Å; E250-R340 HydrophobicContact CG-CG 3.79Å; E250-R340 PolarHBondContact OE1-N 2.67Å; R340-D342 PolarHBondContact O-N 2.77Å
341	N	94.7	Very high	93.6	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.128	25%	0.248	C	C	.	.	S	Bend	trans	-65.6	85	-178.3	-157.7	124.8	0	0	0	112.9	D376 N380 D427 G429 L433	N341-D376 WeakPolarHBondContact CA-OD2 3.37Å; N341-D376 VanDerWaalsContact CG-OD2 3.27Å; N341-D376 PolarHBondContact ND2-OD2 2.71Å; N341-N380 HydrophobicContact CB-CB 3.8Å; N341-N380 PolarHBondContact N-ND2 2.76Å; N341-N380 WeakPolarHBondContact OD1-CA 3.19Å; N341-N380 VanDerWaalsContact OD1-CB 3.25Å; N341-N380 WeakPolarHBondContact OD1-CB 3.18Å; N341-D427 PolarHBondContact ND2-OD2 3.19Å; N341-D427 PolarHBondContact OD1-OD2 3.19Å; N341-G429 WeakPolarHBondContact OD1-CA 3.49Å; N341-G429 PolarHBondContact OD1-N 3.38Å; N341-L433 WeakPolarHBondContact ND2-CD1 3.1Å
342	D	93.6	Very high	92.9	Very high	72 Å²	72	50.2 Å²	50.2	39%	0.385	26%	0.258	S	S	.	.			trans	-125.2	-20.8	-177.3	86.1	-6.3	0	0	0	114.5	N251 R340	N251-D342 PolarHBondContact ND2-OD2 2.79Å; R340-D342 PolarHBondContact O-N 2.77Å
343	N	94	Very high	92	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.128	27%	0.27	C	S	.	.	S	Bend	trans	-71.7	157	164.2	-59.3	-93.6	0	0	0	110	E308 K375 D376 L433	E308-N343 PolarHBondContact OE2-ND2 3.43Å; N343-K375 HydrophobicContact CB-CB 4.25Å; N343-K375 HydrophobicContact CB-CG 4.46Å; N343-K375 WeakPolarHBondContact OD1-CD 3.22Å; N343-K375 WeakPolarHBondContact OD1-CE 3.18Å; N343-K375 PolarHBondContact OD1-NZ 3.11Å; N343-D376 WeakPolarHBondContact CB-OD1 3.45Å; N343-D376 PolarHBondContact N-OD1 2.72Å; N343-D376 PolarHBondContact ND2-OD1 3.27Å; N343-L433 WeakPolarHBondContact O-CD1 3.31Å
344	W	94.6	Very high	90.3	Very high	157 Å²	157	63.5 Å²	63.5	60%	0.595	32%	0.315	S	S	*	.			trans	-110.9	140	177.6	-75.5	56.1	0	0	0	109.7	S346 L433 N434	W344-S346 PolarHBondContact O-N 3.06Å; W344-L433 HydrophobicContact CD2-CB 4.2Å; W344-L433 HydrophobicContact CD2-CD1 4.49Å; W344-L433 HydrophobicContact CE3-CB 4.5Å; W344-L433 HydrophobicContact CG-CB 4.44Å; W344-L433 HydrophobicContact CG-CD1 4.26Å; W344-L433 HydrophobicContact CZ2-CD2 3.93Å; W344-N434 WeakPolarHBondContact CZ3-O 3.23Å
345	P	96	Very high	88.5	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.019	33%	0.33	C	S	.	.			trans	-47.4	116	174.9	-30.6	31.5	0	0	0	112.8	D374 L383 A425 D427 S435	P345-D374 VanDerWaalsContact CA-OD2 3.26Å; P345-D374 WeakPolarHBondContact CA-OD2 3.09Å; P345-D374 WeakPolarHBondContact CD-OD2 3.13Å; P345-D374 WeakPolarHBondContact CG-OD2 3.25Å; P345-L383 HydrophobicContact CB-CD2 3.72Å; P345-L383 HydrophobicContact CG-CD2 3.96Å; P345-A425 HydrophobicContact CB-CB 3.7Å; P345-D427 HydrophobicContact CG-CB 4.45Å; P345-S435 WeakPolarHBondContact O-CB 3.45Å; P345-S435 PolarHBondContact O-OG 3.13Å
346	S	94.4	Very high	87.8	Confident	60 Å²	60	65.8 Å²	65.8	42%	0.42	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.4	179.6	135.4	0	0	0	0	110.3	W344 V372 T373	W344-S346 PolarHBondContact O-N 3.06Å; S346-V372 CarbonylContact O-C 3.47Å; S346-V372 VanDerWaalsContact O-CA 3.27Å; S346-V372 WeakPolarHBondContact O-CA 3.38Å; S346-V372 WeakPolarHBondContact O-CG1 3.4Å; S346-T373 WeakPolarHBondContact CA-O 3.19Å; S346-T373 WeakPolarHBondContact CB-O 3.36Å; S346-T373 WeakPolarHBondContact CB-OG1 3.43Å; S346-T373 PolarHBondContact N-O 2.77Å; S346-T373 PolarHBondContact O-N 2.71Å; S346-T373 PolarHBondContact OG-OG1 2.81Å
347	I	95	Very high	87.6	Confident	14 Å²	14	62 Å²	62	7%	0.072	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.3	176.3	-57.5	170.6	0	0	0	109.8	V370 V372 I423 A425 S435 K437	I347-V370 HydrophobicContact CG2-CG1 3.78Å; I347-V372 HydrophobicContact CG1-CG1 4.24Å; I347-V372 HydrophobicContact CG1-CG2 4.25Å; I347-I423 HydrophobicContact CD1-CG2 4.43Å; I347-A425 HydrophobicContact CD1-CB 3.88Å; I347-A425 HydrophobicContact CG1-CB 3.9Å; I347-S435 WeakPolarHBondContact CD1-OG 3.3Å; I347-S435 WeakPolarHBondContact CG1-OG 3.21Å; I347-K437 HydrophobicContact CB-CB 3.98Å; I347-K437 HydrophobicContact CB-CD 4.01Å; I347-K437 HydrophobicContact CD1-CB 4.01Å; I347-K437 HydrophobicContact CG2-CB 3.88Å; I347-K437 HydrophobicContact CG2-CD 3.92Å; I347-K437 WeakPolarHBondContact O-CD 3.24Å; I347-K437 WeakPolarHBondContact O-CE 3.41Å; I347-K437 PolarHBondContact O-NZ 2.81Å
348	G	91.8	Very high	87.5	Confident	26 Å²	26	62.9 Å²	62.9	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.8	170.3	0	0	0	0	0	112	V370 R371	G348-V370 WeakPolarHBondContact O-CA 3.44Å; G348-V370 WeakPolarHBondContact O-CG1 3.21Å; G348-R371 WeakPolarHBondContact CA-O 3.15Å; G348-R371 PolarHBondContact N-O 3.43Å; G348-R371 PolarHBondContact O-N 3.06Å
349	F	88.9	Confident	87.4	Confident	59 Å²	59	60 Å²	60	26%	0.259	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.4	164.5	-65.5	-51.2	0	0	0	107.5	V352 V370 I423 K437 F439	F349-V352 HydrophobicContact CB-CG2 4.14Å; F349-V352 HydrophobicContact CD1-CG2 4.49Å; F349-V352 HydrophobicContact CG-CG2 4.21Å; F349-V370 HydrophobicContact CD1-CG1 4.36Å; F349-V370 HydrophobicContact CD1-CG2 4.14Å; F349-V370 HydrophobicContact CE1-CG1 4.48Å; F349-V370 HydrophobicContact CE1-CG2 4.28Å; F349-I423 HydrophobicContact CE1-CD1 4.06Å; F349-K437 HydrophobicContact CD2-CD 4.04Å; F349-K437 HydrophobicContact CE2-CB 4.49Å; F349-K437 HydrophobicContact CE2-CD 3.62Å; F349-K437 HydrophobicContact CE2-CG 3.69Å; F349-K437 HydrophobicContact CZ-CB 4.22Å; F349-K437 HydrophobicContact CZ-CD 4.01Å; F349-K437 HydrophobicContact CZ-CG 3.91Å; F349-F439 AromaticContact CE1-CD1 3.76Å; F349-F439 HydrophobicContact CE1-CD1 3.76Å; F349-F439 HydrophobicContact CE1-CE1 4.28Å; F349-F439 HydrophobicContact CE1-CG 4.49Å; F349-F439 HydrophobicContact CE2-CB 4.14Å; F349-F439 HydrophobicContact CZ-CB 4.08Å; F349-F439 AromaticContact CZ-CD1 3.68Å; F349-F439 HydrophobicContact CZ-CD1 3.68Å; F349-F439 HydrophobicContact CZ-CG 4.24Å
350	V	84.1	Confident	87.3	Confident	84 Å²	84	61.9 Å²	61.9	51%	0.509	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-41.4	-179.5	-175.6	0	0	0	0	109.7	L369 R371 F402	V350-L369 HydrophobicContact CB-CB 4.36Å; V350-L369 HydrophobicContact CB-CD2 4.08Å; V350-L369 HydrophobicContact CB-CG 4.06Å; V350-L369 HydrophobicContact CG1-CD2 4Å; V350-L369 HydrophobicContact CG2-CG 4.41Å; V350-L369 PolarHBondContact N-O 2.88Å; V350-R371 HydrophobicContact CG2-CB 3.95Å; V350-F402 HydrophobicContact CG2-CD1 4.36Å; V350-F402 HydrophobicContact CG2-CE1 4.08Å
351	S	79	Confident	87.2	Confident	69 Å²	69	55.9 Å²	55.9	48%	0.483	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	137.5	170.3	-177.3	0	0	0	0	109.1	A368 L369	S351-A368 CarbonylContact O-C 3.58Å; S351-A368 VanDerWaalsContact O-CA 3.31Å; S351-A368 WeakPolarHBondContact O-CA 3.01Å; S351-L369 PolarHBondContact N-O 2.55Å; S351-L369 PolarHBondContact O-N 2.86Å
352	V	80	Confident	87.2	Confident	42 Å²	42	58.9 Å²	58.9	26%	0.255	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.5	162.8	-179.2	0	0	0	0	105.6	F349 Q354 A368 F439	F349-V352 HydrophobicContact CB-CG2 4.14Å; F349-V352 HydrophobicContact CD1-CG2 4.49Å; F349-V352 HydrophobicContact CG-CG2 4.21Å; V352-Q354 PolarHBondContact O-N 2.86Å; V352-A368 HydrophobicContact CG2-CB 4.16Å; V352-F439 HydrophobicContact CG1-CD2 3.74Å; V352-F439 HydrophobicContact CG1-CE2 4.11Å; V352-F439 HydrophobicContact CG2-CD2 4.4Å
353	R	76.9	Confident	87.2	Confident	135 Å²	135	59 Å²	59	51%	0.509	34%	0.342	S	S	.	.			trans	-57.3	108.7	177.6	-163.5	-178.8	-139.1	-127.9	6.7	109	G355 I367	R353-G355 PolarHBondContact O-N 3.48Å; R353-I367 VanDerWaalsContact CB-O 3.28Å; R353-I367 WeakPolarHBondContact CB-O 3.43Å; R353-I367 PolarHBondContact N-O 2.93Å
354	Q	61.5	Low	87.1	Confident	203 Å²	203	59.7 Å²	59.7	95%	0.949	36%	0.355	S	S	*	.	S	Bend	trans	-78.8	61.6	-179.8	-73	168.3	3.3	0	0	109.8	V352	V352-Q354 PolarHBondContact O-N 2.86Å
355	G	58.8	Low	87	Confident	44 Å²	44	53.5 Å²	53.5	45%	0.454	33%	0.334	S	S	.	.	S	Bend	trans	171.3	127.6	-171.4	0	0	0	0	0	108.1	R353	R353-G355 PolarHBondContact O-N 3.48Å
356	A	83.3	Confident	86.8	Confident	30 Å²	30	57 Å²	57	25%	0.248	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-58.8	159.9	177.7	0	0	0	0	0	111.6	K442 L444	A356-K442 WeakPolarHBondContact CA-O 3.29Å; A356-K442 HydrophobicContact CB-CB 3.72Å; A356-K442 VanDerWaalsContact CB-O 3.23Å; A356-K442 WeakPolarHBondContact CB-O 3.23Å; A356-L444 HydrophobicContact CB-CD1 4.16Å; A356-L444 HydrophobicContact CB-CD2 3.63Å; A356-L444 HydrophobicContact CB-CG 3.5Å; A356-L444 WeakPolarHBondContact O-CD1 2.97Å
357	I	92.5	Very high	86.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.7	-174	-176.3	162.9	0	0	0	110.6	A361 T365 I367 T407 L411 V441 K442 I443 L444	I357-A361 HydrophobicContact CD1-CB 3.8Å; I357-A361 HydrophobicContact CG1-CB 3.62Å; I357-T365 HydrophobicContact CD1-CG2 3.72Å; I357-I367 HydrophobicContact CD1-CD1 4.16Å; I357-I367 HydrophobicContact CD1-CG1 4.01Å; I357-T407 HydrophobicContact CD1-CG2 3.83Å; I357-L411 HydrophobicContact CD1-CD1 4.02Å; I357-L411 HydrophobicContact CG1-CD1 4.05Å; I357-L411 HydrophobicContact CG2-CD1 3.93Å; I357-V441 HydrophobicContact CG2-CG1 3.58Å; I357-K442 PolarHBondContact N-O 3.44Å; I357-I443 HydrophobicContact CG2-CD1 3.74Å; I357-I443 CarbonylContact O-C 3.52Å; I357-I443 VanDerWaalsContact O-CA 3.27Å; I357-I443 WeakPolarHBondContact O-CA 3.29Å; I357-L444 PolarHBondContact O-N 3.03Å
358	S	92.8	Very high	86.5	Confident	26 Å²	26	54 Å²	54	18%	0.182	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	136	168.2	162.3	0	0	0	0	110.8	A360 A361 E446	S358-A360 VanDerWaalsContact C-N 3.28Å; S358-A360 PolarHBondContact O-N 2.94Å; S358-A360 PolarHBondContact OG-N 3.43Å; S358-A361 WeakPolarHBondContact O-CB 3.44Å; S358-A361 PolarHBondContact O-N 3.26Å; S358-E446 WeakPolarHBondContact CB-OE1 3.38Å; S358-E446 VanDerWaalsContact OG-CD 3.3Å; S358-E446 VanDerWaalsContact OG-CG 3.31Å; S358-E446 WeakPolarHBondContact OG-CG 3.41Å; S358-E446 PolarHBondContact OG-OE1 2.86Å
359	E	94.5	Very high	86.5	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.061	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.5	177.6	62.2	-154.6	119.9	0	0	113.7	A361 L411 R413 I443 L444 D445 E446	E359-A361 PolarHBondContact O-N 3.35Å; E359-L411 HydrophobicContact CB-CB 4.13Å; E359-R413 WeakPolarHBondContact OE2-CB 3.3Å; E359-R413 PolarHBondContact OE2-N 3.32Å; E359-I443 HydrophobicContact CB-CG2 3.74Å; E359-L444 PolarHBondContact N-O 3.03Å; E359-L444 VanDerWaalsContact N-O 3.14Å; E359-D445 VanDerWaalsContact OE1-CA 3.22Å; E359-D445 WeakPolarHBondContact OE1-CA 3.11Å; E359-E446 HydrophobicContact CG-CB 4.12Å; E359-E446 HydrophobicContact CG-CG 4.09Å; E359-E446 PolarHBondContact OE1-N 2.85Å
360	A	91.9	Very high	86.8	Confident	74 Å²	74	52.9 Å²	52.9	61%	0.612	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	0.8	169.6	0	0	0	0	0	113.7	S358 P362 E446	S358-A360 VanDerWaalsContact C-N 3.28Å; S358-A360 PolarHBondContact O-N 2.94Å; S358-A360 PolarHBondContact OG-N 3.43Å; A360-P362 WeakPolarHBondContact O-CD 3.24Å; A360-E446 HydrophobicContact CB-CG 3.96Å
361	A	92.9	Very high	87.2	Confident	13 Å²	13	53.3 Å²	53.3	11%	0.107	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.2	120.7	174.3	0	0	0	0	0	111.5	I357 S358 E359 T365	I357-A361 HydrophobicContact CD1-CB 3.8Å; I357-A361 HydrophobicContact CG1-CB 3.62Å; S358-A361 WeakPolarHBondContact O-CB 3.44Å; S358-A361 PolarHBondContact O-N 3.26Å; E359-A361 PolarHBondContact O-N 3.35Å; A361-T365 HydrophobicContact CB-CG2 4.11Å
362	P	93.8	Very high	88	Confident	86 Å²	86	50 Å²	50	56%	0.558	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-67.2	157.9	-177.8	28.1	-35.5	0	0	0	112.1	A360 G364 T365 T407	A360-P362 WeakPolarHBondContact O-CD 3.24Å; P362-G364 PolarHBondContact O-N 3.07Å; P362-T365 WeakPolarHBondContact O-CB 3.5Å; P362-T365 PolarHBondContact O-N 3.2Å; P362-T365 PolarHBondContact O-OG1 2.95Å; P362-T407 PolarHBondContact O-OG1 3.4Å
363	P	94.2	Very high	88.6	Confident	74 Å²	74	49.8 Å²	49.8	48%	0.481	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	137.6	166.7	-27.5	35.9	0	0	0	112.1	T407	P363-T407 VanDerWaalsContact CA-OG1 3.29Å; P363-T407 WeakPolarHBondContact CA-OG1 3.38Å
364	G	92.4	Very high	89.5	Confident	39 Å²	39	44.6 Å²	44.6	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	3.4	-171.6	0	0	0	0	0	114.9	P362 V366 T407	P362-G364 PolarHBondContact O-N 3.07Å; G364-V366 PolarHBondContact O-N 2.88Å; G364-T407 PolarHBondContact N-O 3.39Å; G364-T407 PolarHBondContact N-OG1 3.18Å; G364-T407 VanDerWaalsContact N-OG1 3.09Å
365	T	92.7	Very high	91.1	Very high	27 Å²	27	41.1 Å²	41.1	17%	0.166	26%	0.258	C	S	.	.			trans	-72.2	126.8	175.1	-62.8	0	0	0	0	110.8	I357 A361 P362 V406 T407	I357-T365 HydrophobicContact CD1-CG2 3.72Å; A361-T365 HydrophobicContact CB-CG2 4.11Å; P362-T365 WeakPolarHBondContact O-CB 3.5Å; P362-T365 PolarHBondContact O-N 3.2Å; P362-T365 PolarHBondContact O-OG1 2.95Å; T365-V406 VanDerWaalsContact O-CA 3.24Å; T365-V406 WeakPolarHBondContact O-CA 3.45Å; T365-T407 PolarHBondContact N-OG1 2.89Å; T365-T407 PolarHBondContact O-N 3.29Å; T365-T407 VanDerWaalsContact O-N 3.14Å
366	V	92.1	Very high	92.8	Very high	78 Å²	78	39.5 Å²	39.5	47%	0.473	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.3	-177.1	-179.3	0	0	0	0	112.4	G364 T404 V406	G364-V366 PolarHBondContact O-N 2.88Å; V366-T404 HydrophobicContact CB-CG2 4.27Å; V366-T404 HydrophobicContact CG1-CG2 3.64Å; V366-T404 HydrophobicContact CG2-CG2 3.79Å; V366-V406 HydrophobicContact CG2-CG1 4.11Å
367	I	91.9	Very high	93.3	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-42	-177.5	-46.9	-179.4	0	0	0	111.7	R353 I357 F393 V405 T407 F439 V441	R353-I367 VanDerWaalsContact CB-O 3.28Å; R353-I367 WeakPolarHBondContact CB-O 3.43Å; R353-I367 PolarHBondContact N-O 2.93Å; I357-I367 HydrophobicContact CD1-CD1 4.16Å; I357-I367 HydrophobicContact CD1-CG1 4.01Å; I367-F393 HydrophobicContact CD1-CD1 3.25Å; I367-F393 HydrophobicContact CD1-CE1 3.34Å; I367-F393 HydrophobicContact CD1-CG 4.26Å; I367-F393 HydrophobicContact CD1-CZ 4.4Å; I367-V405 PolarHBondContact N-O 3Å; I367-T407 HydrophobicContact CD1-CG2 4.13Å; I367-F439 HydrophobicContact CG2-CE2 3.98Å; I367-V441 HydrophobicContact CD1-CG1 4.45Å; I367-V441 HydrophobicContact CG2-CG1 4.19Å; I367-V441 HydrophobicContact CG2-CG2 3.77Å
368	A	91.3	Very high	93.2	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.1	179	0	0	0	0	0	112	S351 V352 V405 F439	S351-A368 CarbonylContact O-C 3.58Å; S351-A368 VanDerWaalsContact O-CA 3.31Å; S351-A368 WeakPolarHBondContact O-CA 3.01Å; V352-A368 HydrophobicContact CG2-CB 4.16Å; A368-V405 HydrophobicContact CB-CB 4.23Å; A368-V405 HydrophobicContact CB-CG2 4.26Å; A368-V405 PolarHBondContact N-O 2.79Å; A368-V405 PolarHBondContact O-N 2.86Å; A368-F439 HydrophobicContact CB-CE1 4.33Å; A368-F439 HydrophobicContact CB-CE2 3.94Å; A368-F439 HydrophobicContact CB-CZ 3.73Å
369	L	91.9	Very high	93.2	Very high	61 Å²	61	51.2 Å²	51.2	32%	0.319	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.1	166.4	-178.7	64.4	0	0	0	108.7	V350 S351	V350-L369 HydrophobicContact CB-CB 4.36Å; V350-L369 HydrophobicContact CB-CD2 4.08Å; V350-L369 HydrophobicContact CB-CG 4.06Å; V350-L369 HydrophobicContact CG1-CD2 4Å; V350-L369 HydrophobicContact CG2-CG 4.41Å; V350-L369 PolarHBondContact N-O 2.88Å; S351-L369 PolarHBondContact N-O 2.55Å; S351-L369 PolarHBondContact O-N 2.86Å
370	V	93.3	Very high	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.3	-173.5	-169.1	0	0	0	0	107.5	I347 G348 F349 V372 F402 Y403 V405 I423	I347-V370 HydrophobicContact CG2-CG1 3.78Å; G348-V370 WeakPolarHBondContact O-CA 3.44Å; G348-V370 WeakPolarHBondContact O-CG1 3.21Å; F349-V370 HydrophobicContact CD1-CG1 4.36Å; F349-V370 HydrophobicContact CD1-CG2 4.14Å; F349-V370 HydrophobicContact CE1-CG1 4.48Å; F349-V370 HydrophobicContact CE1-CG2 4.28Å; V370-V372 HydrophobicContact CG1-CG2 4.15Å; V370-F402 CarbonylContact O-C 3.49Å; V370-F402 WeakPolarHBondContact O-CA 3.27Å; V370-Y403 PolarHBondContact N-O 3.03Å; V370-Y403 PolarHBondContact O-N 2.91Å; V370-V405 HydrophobicContact CG2-CG2 3.75Å; V370-I423 HydrophobicContact CB-CD1 4.38Å; V370-I423 HydrophobicContact CG1-CD1 4.01Å; V370-I423 HydrophobicContact CG2-CD1 3.57Å
371	R	94.3	Very high	93.1	Very high	93 Å²	93	49.5 Å²	49.5	35%	0.351	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.2	163.5	-165.3	-174.9	-167	-134.2	-0.9	107.4	G348 V350 T373 D400 F402	G348-R371 WeakPolarHBondContact CA-O 3.15Å; G348-R371 PolarHBondContact N-O 3.43Å; G348-R371 PolarHBondContact O-N 3.06Å; V350-R371 HydrophobicContact CG2-CB 3.95Å; R371-T373 HydrophobicContact CG-CG2 4.16Å; R371-T373 VanDerWaalsContact NH1-CG2 3.32Å; R371-D400 IonicContact CZ-OD2 3.74Å; R371-D400 IonicContact NE-OD2 2.92Å; R371-D400 IonicContact NH2-OD2 2.66Å; R371-D400 PolarHBondContact NH2-OD2 2.97Å; R371-F402 HydrophobicContact CB-CD1 3.88Å; R371-F402 HydrophobicContact CB-CE1 3.83Å; R371-F402 HydrophobicContact CB-CZ 4.43Å; R371-F402 VanDerWaalsContact CD-CZ 3.42Å; R371-F402 HydrophobicContact CG-CD1 3.92Å; R371-F402 HydrophobicContact CG-CD2 4.26Å; R371-F402 HydrophobicContact CG-CE1 3.74Å; R371-F402 HydrophobicContact CG-CE2 4.1Å; R371-F402 HydrophobicContact CG-CG 4.19Å; R371-F402 HydrophobicContact CG-CZ 3.85Å; R371-F402 VanDerWaalsContact NE-CZ 3.34Å
372	V	94.5	Very high	93	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.8	169.1	-169.2	0	0	0	0	107.7	S346 I347 V370 L383 N401 Y403 A425	S346-V372 CarbonylContact O-C 3.47Å; S346-V372 VanDerWaalsContact O-CA 3.27Å; S346-V372 WeakPolarHBondContact O-CA 3.38Å; S346-V372 WeakPolarHBondContact O-CG1 3.4Å; I347-V372 HydrophobicContact CG1-CG1 4.24Å; I347-V372 HydrophobicContact CG1-CG2 4.25Å; V370-V372 HydrophobicContact CG1-CG2 4.15Å; V372-L383 HydrophobicContact CB-CD1 3.94Å; V372-L383 HydrophobicContact CG1-CD1 3.6Å; V372-L383 HydrophobicContact CG1-CD2 3.91Å; V372-L383 HydrophobicContact CG1-CG 4.32Å; V372-N401 PolarHBondContact N-O 2.97Å; V372-N401 WeakPolarHBondContact O-CB 3.36Å; V372-Y403 HydrophobicContact CB-CD2 4.38Å; V372-Y403 HydrophobicContact CB-CE2 4.09Å; V372-Y403 HydrophobicContact CG2-CD2 3.9Å; V372-Y403 HydrophobicContact CG2-CE2 4.01Å; V372-A425 HydrophobicContact CG1-CB 3.5Å
373	T	94.1	Very high	93	Very high	36 Å²	36	50.3 Å²	50.3	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.1	179.5	55.8	0	0	0	0	108.7	S346 R371	S346-T373 WeakPolarHBondContact CA-O 3.19Å; S346-T373 WeakPolarHBondContact CB-O 3.36Å; S346-T373 WeakPolarHBondContact CB-OG1 3.43Å; S346-T373 PolarHBondContact N-O 2.77Å; S346-T373 PolarHBondContact O-N 2.71Å; S346-T373 PolarHBondContact OG-OG1 2.81Å; R371-T373 HydrophobicContact CG-CG2 4.16Å; R371-T373 VanDerWaalsContact NH1-CG2 3.32Å
374	D	95.4	Very high	92.9	Very high	26 Å²	26	52.1 Å²	52.1	14%	0.139	28%	0.284	C	S	.	.			trans	-92.9	170.3	151.3	-126.9	-58.9	0	0	0	110.7	P345 L383	P345-D374 VanDerWaalsContact CA-OD2 3.26Å; P345-D374 WeakPolarHBondContact CA-OD2 3.09Å; P345-D374 WeakPolarHBondContact CD-OD2 3.13Å; P345-D374 WeakPolarHBondContact CG-OD2 3.25Å; D374-L383 HydrophobicContact CB-CD2 4.32Å
375	K	94.2	Very high	93	Very high	131 Å²	131	51.3 Å²	51.3	57%	0.57	27%	0.272	S	S	*	.	S	Bend	trans	-101	-34.6	162.7	-52.9	-163.2	-146.4	131.6	0	112.7	E308 N343	E308-K375 HydrophobicContact CG-CB 3.71Å; E308-K375 HydrophobicContact CG-CD 4Å; N343-K375 HydrophobicContact CB-CB 4.25Å; N343-K375 HydrophobicContact CB-CG 4.46Å; N343-K375 WeakPolarHBondContact OD1-CD 3.22Å; N343-K375 WeakPolarHBondContact OD1-CE 3.18Å; N343-K375 PolarHBondContact OD1-NZ 3.11Å
376	D	95.6	Very high	93	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.048	29%	0.285	C	S	.	.	S	Bend	trans	-47.3	161.2	175.4	-64.4	-0.7	0	0	0	111.4	N341 N343 N380 G381	N341-D376 WeakPolarHBondContact CA-OD2 3.37Å; N341-D376 VanDerWaalsContact CG-OD2 3.27Å; N341-D376 PolarHBondContact ND2-OD2 2.71Å; N343-D376 WeakPolarHBondContact CB-OD1 3.45Å; N343-D376 PolarHBondContact N-OD1 2.72Å; N343-D376 PolarHBondContact ND2-OD1 3.27Å; D376-N380 HydrophobicContact CB-CB 3.63Å; D376-G381 WeakPolarHBondContact O-CA 3.26Å
377	S	92.6	Very high	93.1	Very high	43 Å²	43	53.1 Å²	53.1	30%	0.301	27%	0.27	S	S	.	.			trans	-113	175	-176.5	-82.6	0	0	0	0	114.1	D339 R379 N380 G381	D339-S377 WeakPolarHBondContact OD2-CA 3.16Å; D339-S377 WeakPolarHBondContact OD2-CB 3.13Å; D339-S377 PolarHBondContact OD2-N 3.2Å; S377-R379 PolarHBondContact O-N 2.96Å; S377-N380 PolarHBondContact O-N 2.73Å; S377-G381 PolarHBondContact O-N 2.73Å
378	G	91.4	Very high	93.2	Very high	73 Å²	73	56.7 Å²	56.7	75%	0.753	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-104	172.3	0	0	0	0	0	114.8
379	R	92.5	Very high	93.1	Very high	189 Å²	189	59.8 Å²	59.8	71%	0.713	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-26.8	175.4	-76.5	-172.7	175.7	-172.5	-0.4	113.4	S377 Q382 N428	S377-R379 PolarHBondContact O-N 2.96Å; R379-Q382 WeakPolarHBondContact O-CB 3.14Å; R379-Q382 PolarHBondContact O-N 2.95Å; R379-N428 CarbonylContact O-C 3.55Å; R379-N428 WeakPolarHBondContact O-CA 3.46Å; R379-N428 WeakPolarHBondContact O-CB 3.48Å; R379-N428 PolarHBondContact O-N 3.25Å
380	N	92.6	Very high	92.9	Very high	31 Å²	31	63.7 Å²	63.7	17%	0.166	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-45.9	-179.8	-61	-5.2	0	0	0	107.5	D339 N341 D376 S377 Q382 D427	D339-N380 PolarHBondContact OD1-ND2 2.91Å; N341-N380 HydrophobicContact CB-CB 3.8Å; N341-N380 PolarHBondContact N-ND2 2.76Å; N341-N380 WeakPolarHBondContact OD1-CA 3.19Å; N341-N380 VanDerWaalsContact OD1-CB 3.25Å; N341-N380 WeakPolarHBondContact OD1-CB 3.18Å; D376-N380 HydrophobicContact CB-CB 3.63Å; S377-N380 PolarHBondContact O-N 2.73Å; N380-Q382 PolarHBondContact O-N 2.99Å; N380-D427 WeakPolarHBondContact O-CB 3.42Å
381	G	91.3	Very high	92.9	Very high	19 Å²	19	65.1 Å²	65.1	20%	0.196	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	0.1	168.7	0	0	0	0	0	117.3	D376 S377 L383	D376-G381 WeakPolarHBondContact O-CA 3.26Å; S377-G381 PolarHBondContact O-N 2.73Å; G381-L383 PolarHBondContact O-N 2.9Å
382	Q	92.1	Very high	92.9	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	34%	0.338	S	S	.	.			trans	-87.7	101.1	-172.6	-167.6	-175.8	29.9	0	0	112.2	R379 N380 D427 N428	R379-Q382 WeakPolarHBondContact O-CB 3.14Å; R379-Q382 PolarHBondContact O-N 2.95Å; N380-Q382 PolarHBondContact O-N 2.99Å; Q382-D427 CarbonylContact O-C 3.52Å; Q382-D427 VanDerWaalsContact O-C 3.23Å; Q382-D427 WeakPolarHBondContact O-CA 3.24Å; Q382-N428 HydrophobicContact CB-CB 4.32Å; Q382-N428 PolarHBondContact O-N 3.27Å; Q382-N428 PolarHBondContact OE1-ND2 3.22Å
383	L	92.7	Very high	92.9	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.089	34%	0.34	C	S	.	.			trans	-74.8	142	-176.8	-62.8	167.1	0	0	0	114	P345 V372 D374 G381 N401 K426	P345-L383 HydrophobicContact CB-CD2 3.72Å; P345-L383 HydrophobicContact CG-CD2 3.96Å; V372-L383 HydrophobicContact CB-CD1 3.94Å; V372-L383 HydrophobicContact CG1-CD1 3.6Å; V372-L383 HydrophobicContact CG1-CD2 3.91Å; V372-L383 HydrophobicContact CG1-CG 4.32Å; D374-L383 HydrophobicContact CB-CD2 4.32Å; G381-L383 PolarHBondContact O-N 2.9Å; L383-N401 HydrophobicContact CD1-CB 4.13Å; L383-K426 CarbonylContact C-O 3.33Å
384	Q	92.8	Very high	92.8	Very high	111 Å²	111	63.6 Å²	63.6	52%	0.519	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	105.6	164.6	176.4	173.9	82.3	0	0	108.4	K426	Q384-K426 PolarHBondContact N-O 3.35Å; Q384-K426 PolarHBondContact O-N 2.8Å; Q384-K426 VanDerWaalsContact O-N 3.11Å
385	C	93.8	Very high	92.8	Very high	23 Å²	23	63.9 Å²	63.9	16%	0.155	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.3	-176.3	-58.5	0	0	0	0	112.3	L395 Y403 V424	C385-L395 HydrophobicContact CB-CD2 3.5Å; C385-L395 VanDerWaalsContact CB-CD2 3.5Å; C385-Y403 HydrophobicContact CB-CD1 4.38Å; C385-Y403 HydrophobicContact CB-CD2 4.46Å; C385-Y403 HydrophobicContact CB-CE1 3.9Å; C385-Y403 HydrophobicContact CB-CE2 3.98Å; C385-Y403 VanDerWaalsContact SG-CE2 3.55Å; C385-V424 CarbonylContact C-O 3.59Å; C385-V424 WeakPolarHBondContact CA-O 3.07Å
386	R	93	Very high	92.7	Very high	120 Å²	120	61.4 Å²	61.4	45%	0.453	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	161.5	176.7	62.1	179.2	-174.3	77.5	2.6	112.8	V424	R386-V424 HydrophobicContact CG-CB 4.23Å; R386-V424 PolarHBondContact N-O 3.36Å; R386-V424 PolarHBondContact O-N 2.87Å
387	V	94.4	Very high	92.4	Very high	23 Å²	23	67.4 Å²	67.4	14%	0.139	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	151.1	165.7	-170	0	0	0	0	109.9	V391 L395 V421 T422	V387-V391 HydrophobicContact CG1-CG2 3.56Å; V387-L395 HydrophobicContact CG2-CB 4.14Å; V387-V421 HydrophobicContact CG1-CG1 4.03Å; V387-T422 CarbonylContact C-O 3.37Å
388	L	93.9	Very high	92.1	Very high	84 Å²	84	68.4 Å²	68.4	44%	0.44	37%	0.366	S	S	.	.			trans	-98	137.4	173	-167.3	85	0	0	0	110.8	T422 V424	L388-T422 HydrophobicContact CB-CG2 4.09Å; L388-T422 HydrophobicContact CD2-CG2 4.1Å; L388-T422 PolarHBondContact N-O 2.8Å; L388-V424 HydrophobicContact CB-CG2 3.99Å; L388-V424 HydrophobicContact CD1-CG2 3.79Å; L388-V424 HydrophobicContact CG-CG2 4.45Å
389	G	88.5	Confident	91.7	Very high	66 Å²	66	75.1 Å²	75.1	68%	0.68	37%	0.37	S	S	*	.	S	Bend	trans	86.2	-178.8	175	0	0	0	0	0	114
390	N	88.7	Confident	91.2	Very high	143 Å²	143	70.9 Å²	70.9	77%	0.765	36%	0.362	S	S	*	.	S	Bend	trans	-101.2	79.5	176.1	178.5	79.5	0	0	0	109
391	V	92.7	Very high	90.9	Very high	31 Å²	31	72.2 Å²	72.2	19%	0.188	37%	0.369	C	S	.	.			trans	-112.2	155.5	177.8	-64.1	0	0	0	0	109.9	V387 F393 Y419	V387-V391 HydrophobicContact CG1-CG2 3.56Å; V391-F393 HydrophobicContact CB-CD2 3.92Å; V391-F393 HydrophobicContact CB-CE2 4.46Å; V391-F393 HydrophobicContact CG2-CB 4.36Å; V391-F393 HydrophobicContact CG2-CD2 3.95Å; V391-F393 PolarHBondContact O-N 3.05Å; V391-Y419 HydrophobicContact CB-CD1 4.47Å; V391-Y419 HydrophobicContact CG1-CD1 4.28Å
392	P	93.9	Very high	90.9	Very high	15 Å²	15	74.1 Å²	74.1	10%	0.097	37%	0.372	C	S	.	.	S	Bend	trans	-76.3	31	-177.6	33.2	-37.3	0	0	0	113.5	D408 R409 L411 Y419	P392-D408 PolarHBondContact O-N 3.45Å; P392-R409 HydrophobicContact CB-CB 4.25Å; P392-L411 HydrophobicContact CB-CD2 3.97Å; P392-L411 HydrophobicContact CG-CD2 3.53Å; P392-Y419 HydrophobicContact CG-CD1 4.49Å; P392-Y419 HydrophobicContact CG-CE1 3.9Å; P392-Y419 HydrophobicContact CG-CE2 4.23Å
393	F	94.1	Very high	91	Very high	9 Å²	9	69.6 Å²	69.6	4%	0.039	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.5	-176.1	-46.6	-69.6	0	0	0	110.9	I367 V391 V405 V406 T407 L411 Y419 V421 V441	I367-F393 HydrophobicContact CD1-CD1 3.25Å; I367-F393 HydrophobicContact CD1-CE1 3.34Å; I367-F393 HydrophobicContact CD1-CG 4.26Å; I367-F393 HydrophobicContact CD1-CZ 4.4Å; V391-F393 HydrophobicContact CB-CD2 3.92Å; V391-F393 HydrophobicContact CB-CE2 4.46Å; V391-F393 HydrophobicContact CG2-CB 4.36Å; V391-F393 HydrophobicContact CG2-CD2 3.95Å; V391-F393 PolarHBondContact O-N 3.05Å; F393-V405 HydrophobicContact CB-CG1 4.3Å; F393-V406 VanDerWaalsContact CA-O 3.3Å; F393-V406 WeakPolarHBondContact CA-O 3.4Å; F393-T407 HydrophobicContact CD1-CG2 4.21Å; F393-T407 HydrophobicContact CE1-CG2 4.13Å; F393-L411 HydrophobicContact CE1-CD2 3.84Å; F393-L411 HydrophobicContact CZ-CD2 3.93Å; F393-Y419 HydrophobicContact CE2-CD1 4.03Å; F393-Y419 AromaticContact CE2-CD2 3.99Å; F393-Y419 HydrophobicContact CE2-CD2 3.99Å; F393-Y419 AromaticContact CE2-CG 3.64Å; F393-Y419 HydrophobicContact CE2-CG 3.64Å; F393-Y419 AromaticContact CZ-CD2 3.99Å; F393-Y419 HydrophobicContact CZ-CD2 3.99Å; F393-Y419 HydrophobicContact CZ-CG 4.13Å; F393-V421 HydrophobicContact CD2-CG2 3.43Å; F393-V421 VanDerWaalsContact CD2-CG2 3.43Å; F393-V421 HydrophobicContact CE2-CG2 3.67Å; F393-V421 HydrophobicContact CG-CG2 4.21Å; F393-V441 HydrophobicContact CE1-CG1 4.36Å; F393-V441 HydrophobicContact CZ-CB 4.38Å; F393-V441 HydrophobicContact CZ-CG1 4.02Å
394	K	93.7	Very high	91	Very high	72 Å²	72	69.8 Å²	69.8	31%	0.313	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	162.7	176.1	57.5	170.9	168.4	160.9	0	110.7	E396 V406 D408	K394-E396 HydrophobicContact CD-CG 4.27Å; K394-E396 VanDerWaalsContact CE-OE1 3.29Å; K394-E396 WeakPolarHBondContact CE-OE1 3.39Å; K394-E396 IonicContact NZ-OE1 3.4Å; K394-E396 PolarHBondContact NZ-OE1 3.26Å; K394-V406 HydrophobicContact CD-CG2 4.09Å; K394-V406 HydrophobicContact CG-CG2 3.58Å; K394-V406 PolarHBondContact N-O 2.77Å; K394-V406 PolarHBondContact O-N 2.89Å; K394-D408 HydrophobicContact CB-CB 4.22Å; K394-D408 HydrophobicContact CD-CB 4.41Å; K394-D408 HydrophobicContact CG-CB 4.05Å
395	L	94	Very high	91	Very high	33 Å²	33	64.5 Å²	64.5	17%	0.173	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.8	173.3	-163.2	71.6	0	0	0	107.7	C385 V387 Y403 V405 I423	C385-L395 HydrophobicContact CB-CD2 3.5Å; C385-L395 VanDerWaalsContact CB-CD2 3.5Å; V387-L395 HydrophobicContact CG2-CB 4.14Å; L395-Y403 HydrophobicContact CD1-CG 4.33Å; L395-Y403 HydrophobicContact CD2-CD1 3.63Å; L395-Y403 HydrophobicContact CD2-CE1 4.25Å; L395-Y403 HydrophobicContact CD2-CG 3.89Å; L395-Y403 HydrophobicContact CG-CD1 3.79Å; L395-Y403 HydrophobicContact CG-CG 4.02Å; L395-V405 HydrophobicContact CD1-CG2 3.76Å; L395-I423 HydrophobicContact CD1-CD1 4.26Å; L395-I423 HydrophobicContact CD2-CG2 4.46Å
396	E	93	Very high	91	Very high	78 Å²	78	63.5 Å²	63.5	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.9	173	-65.8	-171.4	150.3	0	0	109.1	K394 Y403 T404 V406	K394-E396 HydrophobicContact CD-CG 4.27Å; K394-E396 VanDerWaalsContact CE-OE1 3.29Å; K394-E396 WeakPolarHBondContact CE-OE1 3.39Å; K394-E396 IonicContact NZ-OE1 3.4Å; K394-E396 PolarHBondContact NZ-OE1 3.26Å; E396-Y403 CarbonylContact O-C 3.57Å; E396-Y403 VanDerWaalsContact O-CA 3.3Å; E396-Y403 WeakPolarHBondContact O-CA 3.5Å; E396-T404 PolarHBondContact N-O 2.82Å; E396-T404 PolarHBondContact O-N 2.85Å; E396-V406 HydrophobicContact CG-CG2 3.92Å
397	E	89.1	Confident	91.1	Very high	135 Å²	135	57.8 Å²	57.8	63%	0.631	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.8	-176.2	-176.2	163	-145.9	0	0	110.7	Y403	E397-Y403 HydrophobicContact CB-CD1 3.84Å; E397-Y403 HydrophobicContact CB-CE1 3.66Å; E397-Y403 HydrophobicContact CG-CD1 4.09Å; E397-Y403 HydrophobicContact CG-CE1 3.53Å; E397-Y403 PolarHBondContact OE1-OH 2.81Å
398	N	85.9	Confident	91.1	Very high	65 Å²	65	59.5 Å²	59.5	35%	0.348	31%	0.307	S	S	.	.			trans	-101.5	-165.1	172.8	-47.4	-40.5	0	0	0	109.1	F402 T404	N398-F402 WeakPolarHBondContact CA-O 3.44Å; N398-F402 HydrophobicContact CB-CB 4.26Å; N398-F402 VanDerWaalsContact CB-O 3.24Å; N398-F402 WeakPolarHBondContact CB-O 3.38Å; N398-F402 PolarHBondContact N-O 3.21Å; N398-T404 PolarHBondContact ND2-OG1 2.96Å; N398-T404 PolarHBondContact OD1-OG1 3.33Å
399	Y	82.4	Confident	91	Very high	214 Å²	214	61.4 Å²	61.4	84%	0.839	31%	0.309	S	S	*	.	S	Bend	trans	-72	157.1	170.5	-55	-80.8	0	0	0	112.2	N401 F402	Y399-N401 PolarHBondContact O-N 3.37Å; Y399-F402 WeakPolarHBondContact O-CB 3.26Å; Y399-F402 WeakPolarHBondContact O-CD2 3.47Å; Y399-F402 PolarHBondContact O-N 3.31Å
400	D	82.9	Confident	91.2	Very high	100 Å²	100	63.1 Å²	63.1	54%	0.535	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	45	171.9	-169.4	53.6	0	0	0	115.9	R371 F402	R371-D400 IonicContact CZ-OD2 3.74Å; R371-D400 IonicContact NE-OD2 2.92Å; R371-D400 IonicContact NH2-OD2 2.66Å; R371-D400 PolarHBondContact NH2-OD2 2.97Å; D400-F402 HydrophobicContact CB-CD2 4.05Å; D400-F402 HydrophobicContact CB-CE2 4.23Å; D400-F402 WeakPolarHBondContact O-CD2 3.43Å; D400-F402 PolarHBondContact O-N 3.33Å; D400-F402 WeakPolarHBondContact OD2-CE2 3.48Å
401	N	86.4	Confident	91.5	Very high	58 Å²	58	57 Å²	57	31%	0.31	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	23	-178.8	-57.1	-65	0	0	0	114.3	V372 L383 Y399 Y403	V372-N401 PolarHBondContact N-O 2.97Å; V372-N401 WeakPolarHBondContact O-CB 3.36Å; L383-N401 HydrophobicContact CD1-CB 4.13Å; Y399-N401 PolarHBondContact O-N 3.37Å; N401-Y403 HydrophobicContact CB-CE2 4.24Å; N401-Y403 WeakPolarHBondContact O-CD2 3.48Å; N401-Y403 VanDerWaalsContact O-CE2 3.3Å; N401-Y403 WeakPolarHBondContact O-CE2 3.14Å
402	F	91.9	Very high	91.6	Very high	59 Å²	59	59 Å²	59	26%	0.259	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	138.8	163	-70.6	-95.8	0	0	0	109.1	V350 V370 R371 N398 Y399 D400	V350-F402 HydrophobicContact CG2-CD1 4.36Å; V350-F402 HydrophobicContact CG2-CE1 4.08Å; V370-F402 CarbonylContact O-C 3.49Å; V370-F402 WeakPolarHBondContact O-CA 3.27Å; R371-F402 HydrophobicContact CB-CD1 3.88Å; R371-F402 HydrophobicContact CB-CE1 3.83Å; R371-F402 HydrophobicContact CB-CZ 4.43Å; R371-F402 VanDerWaalsContact CD-CZ 3.42Å; R371-F402 HydrophobicContact CG-CD1 3.92Å; R371-F402 HydrophobicContact CG-CD2 4.26Å; R371-F402 HydrophobicContact CG-CE1 3.74Å; R371-F402 HydrophobicContact CG-CE2 4.1Å; R371-F402 HydrophobicContact CG-CG 4.19Å; R371-F402 HydrophobicContact CG-CZ 3.85Å; R371-F402 VanDerWaalsContact NE-CZ 3.34Å; N398-F402 WeakPolarHBondContact CA-O 3.44Å; N398-F402 HydrophobicContact CB-CB 4.26Å; N398-F402 VanDerWaalsContact CB-O 3.24Å; N398-F402 WeakPolarHBondContact CB-O 3.38Å; N398-F402 PolarHBondContact N-O 3.21Å; Y399-F402 WeakPolarHBondContact O-CB 3.26Å; Y399-F402 WeakPolarHBondContact O-CD2 3.47Å; Y399-F402 PolarHBondContact O-N 3.31Å; D400-F402 HydrophobicContact CB-CD2 4.05Å; D400-F402 HydrophobicContact CB-CE2 4.23Å; D400-F402 WeakPolarHBondContact O-CD2 3.43Å; D400-F402 PolarHBondContact O-N 3.33Å; D400-F402 WeakPolarHBondContact OD2-CE2 3.48Å
403	Y	92.6	Very high	91.7	Very high	6 Å²	6	59.8 Å²	59.8	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.9	-178.8	-62.5	-92.8	0	0	0	110.7	V370 V372 C385 L395 E396 E397 N401	V370-Y403 PolarHBondContact N-O 3.03Å; V370-Y403 PolarHBondContact O-N 2.91Å; V372-Y403 HydrophobicContact CB-CD2 4.38Å; V372-Y403 HydrophobicContact CB-CE2 4.09Å; V372-Y403 HydrophobicContact CG2-CD2 3.9Å; V372-Y403 HydrophobicContact CG2-CE2 4.01Å; C385-Y403 HydrophobicContact CB-CD1 4.38Å; C385-Y403 HydrophobicContact CB-CD2 4.46Å; C385-Y403 HydrophobicContact CB-CE1 3.9Å; C385-Y403 HydrophobicContact CB-CE2 3.98Å; C385-Y403 VanDerWaalsContact SG-CE2 3.55Å; L395-Y403 HydrophobicContact CD1-CG 4.33Å; L395-Y403 HydrophobicContact CD2-CD1 3.63Å; L395-Y403 HydrophobicContact CD2-CE1 4.25Å; L395-Y403 HydrophobicContact CD2-CG 3.89Å; L395-Y403 HydrophobicContact CG-CD1 3.79Å; L395-Y403 HydrophobicContact CG-CG 4.02Å; E396-Y403 CarbonylContact O-C 3.57Å; E396-Y403 VanDerWaalsContact O-CA 3.3Å; E396-Y403 WeakPolarHBondContact O-CA 3.5Å; E397-Y403 HydrophobicContact CB-CD1 3.84Å; E397-Y403 HydrophobicContact CB-CE1 3.66Å; E397-Y403 HydrophobicContact CG-CD1 4.09Å; E397-Y403 HydrophobicContact CG-CE1 3.53Å; E397-Y403 PolarHBondContact OE1-OH 2.81Å; N401-Y403 HydrophobicContact CB-CE2 4.24Å; N401-Y403 WeakPolarHBondContact O-CD2 3.48Å; N401-Y403 VanDerWaalsContact O-CE2 3.3Å; N401-Y403 WeakPolarHBondContact O-CE2 3.14Å
404	T	92.9	Very high	91.7	Very high	21 Å²	21	62.3 Å²	62.3	13%	0.129	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.5	175.8	-45.9	0	0	0	0	109	V366 E396 N398 V406	V366-T404 HydrophobicContact CB-CG2 4.27Å; V366-T404 HydrophobicContact CG1-CG2 3.64Å; V366-T404 HydrophobicContact CG2-CG2 3.79Å; E396-T404 PolarHBondContact N-O 2.82Å; E396-T404 PolarHBondContact O-N 2.85Å; N398-T404 PolarHBondContact ND2-OG1 2.96Å; N398-T404 PolarHBondContact OD1-OG1 3.33Å; T404-V406 HydrophobicContact CG2-CG1 3.64Å
405	V	93.8	Very high	91.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.8	168.4	-174.3	0	0	0	0	108.4	I367 A368 V370 F393 L395 V421 I423 F439	I367-V405 PolarHBondContact N-O 3Å; A368-V405 HydrophobicContact CB-CB 4.23Å; A368-V405 HydrophobicContact CB-CG2 4.26Å; A368-V405 PolarHBondContact N-O 2.79Å; A368-V405 PolarHBondContact O-N 2.86Å; V370-V405 HydrophobicContact CG2-CG2 3.75Å; F393-V405 HydrophobicContact CB-CG1 4.3Å; L395-V405 HydrophobicContact CD1-CG2 3.76Å; V405-V421 HydrophobicContact CG1-CG1 4.42Å; V405-I423 HydrophobicContact CG2-CD1 3.81Å; V405-F439 HydrophobicContact CB-CZ 4.24Å; V405-F439 HydrophobicContact CG1-CZ 4.03Å; V405-F439 HydrophobicContact CG2-CE1 4.22Å; V405-F439 HydrophobicContact CG2-CZ 4.19Å
406	V	93.6	Very high	91.7	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	161	-178.3	-53.7	0	0	0	0	111.9	T365 V366 F393 K394 E396 T404	T365-V406 VanDerWaalsContact O-CA 3.24Å; T365-V406 WeakPolarHBondContact O-CA 3.45Å; V366-V406 HydrophobicContact CG2-CG1 4.11Å; F393-V406 VanDerWaalsContact CA-O 3.3Å; F393-V406 WeakPolarHBondContact CA-O 3.4Å; K394-V406 HydrophobicContact CD-CG2 4.09Å; K394-V406 HydrophobicContact CG-CG2 3.58Å; K394-V406 PolarHBondContact N-O 2.77Å; K394-V406 PolarHBondContact O-N 2.89Å; E396-V406 HydrophobicContact CG-CG2 3.92Å; T404-V406 HydrophobicContact CG2-CG1 3.64Å
407	T	94.7	Very high	91.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	130	168.4	46.9	0	0	0	0	111.5	I357 P362 P363 G364 T365 I367 F393 L411	I357-T407 HydrophobicContact CD1-CG2 3.83Å; P362-T407 PolarHBondContact O-OG1 3.4Å; P363-T407 VanDerWaalsContact CA-OG1 3.29Å; P363-T407 WeakPolarHBondContact CA-OG1 3.38Å; G364-T407 PolarHBondContact N-O 3.39Å; G364-T407 PolarHBondContact N-OG1 3.18Å; G364-T407 VanDerWaalsContact N-OG1 3.09Å; T365-T407 PolarHBondContact N-OG1 2.89Å; T365-T407 PolarHBondContact O-N 3.29Å; T365-T407 VanDerWaalsContact O-N 3.14Å; I367-T407 HydrophobicContact CD1-CG2 4.13Å; F393-T407 HydrophobicContact CD1-CG2 4.21Å; F393-T407 HydrophobicContact CE1-CG2 4.13Å; T407-L411 HydrophobicContact CG2-CD1 3.75Å; T407-L411 HydrophobicContact CG2-CG 4.24Å
408	D	94.1	Very high	91.9	Very high	59 Å²	59	65.3 Å²	65.3	32%	0.316	32%	0.322	S	S	.	.	S	Bend	trans	-87.3	-31.5	171.7	-174.7	58.1	0	0	0	111.2	P392 K394	P392-D408 PolarHBondContact O-N 3.45Å; K394-D408 HydrophobicContact CB-CB 4.22Å; K394-D408 HydrophobicContact CD-CB 4.41Å; K394-D408 HydrophobicContact CG-CB 4.05Å
409	R	92.6	Very high	92.2	Very high	125 Å²	125	63.3 Å²	63.3	47%	0.472	31%	0.31	S	S	.	.	S	Bend	trans	-142.5	165.7	-168.8	-56.2	-176.3	-163.7	165.2	13.2	110.1	P392	P392-R409 HydrophobicContact CB-CB 4.25Å
410	P	92.6	Very high	92.7	Very high	102 Å²	102	58 Å²	58	66%	0.662	30%	0.296	S	S	*	.			trans	-52.8	152.7	165.1	-24.5	35.5	0	0	0	111.6
411	L	94.5	Very high	93.1	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.079	27%	0.271	C	S	.	.			trans	-107.4	161.5	175.8	-61.7	169.1	0	0	0	108.7	I357 E359 P392 F393 T407 I443	I357-L411 HydrophobicContact CD1-CD1 4.02Å; I357-L411 HydrophobicContact CG1-CD1 4.05Å; I357-L411 HydrophobicContact CG2-CD1 3.93Å; E359-L411 HydrophobicContact CB-CB 4.13Å; P392-L411 HydrophobicContact CB-CD2 3.97Å; P392-L411 HydrophobicContact CG-CD2 3.53Å; F393-L411 HydrophobicContact CE1-CD2 3.84Å; F393-L411 HydrophobicContact CZ-CD2 3.93Å; T407-L411 HydrophobicContact CG2-CD1 3.75Å; T407-L411 HydrophobicContact CG2-CG 4.24Å; L411-I443 HydrophobicContact CD1-CD1 4.12Å; L411-I443 HydrophobicContact CD2-CD1 4.25Å
412	D	94.9	Very high	93.5	Very high	71 Å²	71	51.4 Å²	51.4	38%	0.38	26%	0.262	S	S	.	.			trans	-160	110.4	-171.4	174.2	-32.8	0	0	0	106.5	E414 V415 Q416	D412-E414 PolarHBondContact OD1-N 3.23Å; D412-V415 HydrophobicContact CB-CB 4.27Å; D412-V415 VanDerWaalsContact CG-CG2 3.46Å; D412-V415 WeakPolarHBondContact OD1-CB 3.2Å; D412-V415 VanDerWaalsContact OD1-CG2 3.23Å; D412-V415 WeakPolarHBondContact OD1-CG2 3.06Å; D412-V415 PolarHBondContact OD1-N 3.14Å; D412-V415 VanDerWaalsContact OD2-CG2 3.29Å; D412-V415 WeakPolarHBondContact OD2-CG2 3.38Å; D412-Q416 PolarHBondContact O-N 3.49Å
413	R	95.6	Very high	93.6	Very high	32 Å²	32	48.6 Å²	48.6	12%	0.121	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-31.5	-172.1	-170.5	-152	61.2	68.4	-9	111.6	E359 V415 Q416 D417 I443 D445 P480	E359-R413 WeakPolarHBondContact OE2-CB 3.3Å; E359-R413 PolarHBondContact OE2-N 3.32Å; R413-V415 PolarHBondContact O-N 3.15Å; R413-Q416 CarbonylContact O-C 3.54Å; R413-Q416 PolarHBondContact O-N 2.89Å; R413-D417 HydrophobicContact CG-CB 3.97Å; R413-D417 PolarHBondContact O-N 2.86Å; R413-I443 HydrophobicContact CB-CB 4.38Å; R413-I443 HydrophobicContact CB-CG2 3.87Å; R413-I443 HydrophobicContact CG-CB 4.24Å; R413-I443 HydrophobicContact CG-CG2 4.19Å; R413-D445 IonicContact CZ-OD1 2.7Å; R413-D445 IonicContact NE-OD1 3.09Å; R413-D445 PolarHBondContact NE-OD1 2.89Å; R413-D445 IonicContact NH2-OD1 3.29Å; R413-D445 PolarHBondContact NH2-OD1 3.21Å; R413-P480 PolarHBondContact NH2-O 3.13Å
414	E	95.1	Very high	93.8	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.6	175.7	-69.9	61.1	-128.2	0	0	111	D412 P480	D412-E414 PolarHBondContact OD1-N 3.23Å; E414-P480 HydrophobicContact CG-CB 3.78Å; E414-P480 HydrophobicContact CG-CG 4.02Å
415	V	93.9	Very high	93.9	Very high	111 Å²	111	47.8 Å²	47.8	67%	0.673	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-48.2	169.2	170.8	0	0	0	0	112	D412 R413	D412-V415 HydrophobicContact CB-CB 4.27Å; D412-V415 VanDerWaalsContact CG-CG2 3.46Å; D412-V415 WeakPolarHBondContact OD1-CB 3.2Å; D412-V415 VanDerWaalsContact OD1-CG2 3.23Å; D412-V415 WeakPolarHBondContact OD1-CG2 3.06Å; D412-V415 PolarHBondContact OD1-N 3.14Å; D412-V415 VanDerWaalsContact OD2-CG2 3.29Å; D412-V415 WeakPolarHBondContact OD2-CG2 3.38Å; R413-V415 PolarHBondContact O-N 3.15Å
416	Q	93.6	Very high	94	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	26%	0.257	S	S	.	.			trans	-156.3	113.7	178.3	-175.7	166.3	-4.4	0	0	114.3	D412 R413 E418 Y419 I443	D412-Q416 PolarHBondContact O-N 3.49Å; R413-Q416 CarbonylContact O-C 3.54Å; R413-Q416 PolarHBondContact O-N 2.89Å; Q416-E418 WeakPolarHBondContact CG-O 3.26Å; Q416-E418 PolarHBondContact NE2-O 2.82Å; Q416-Y419 HydrophobicContact CB-CE1 4.41Å; Q416-Y419 HydrophobicContact CB-CE2 4.07Å; Q416-Y419 HydrophobicContact CG-CD1 4.4Å; Q416-Y419 HydrophobicContact CG-CD2 4.26Å; Q416-Y419 HydrophobicContact CG-CE1 4Å; Q416-Y419 HydrophobicContact CG-CE2 3.87Å; Q416-I443 WeakPolarHBondContact O-CG1 3.23Å
417	D	91.9	Very high	94	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	26%	0.257	S	S	*	.	S	Bend	trans	-81.1	-23.5	-176.9	67.3	-28.2	0	0	0	115.3	R413 I443	R413-D417 HydrophobicContact CG-CB 3.97Å; R413-D417 PolarHBondContact O-N 2.86Å; D417-I443 PolarHBondContact O-N 3.38Å
418	E	93.6	Very high	94	Very high	84 Å²	84	53.5 Å²	53.5	39%	0.393	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.1	-178.7	-170.9	171.3	-115.3	0	0	113.3	Q416 T440 K442	Q416-E418 WeakPolarHBondContact CG-O 3.26Å; Q416-E418 PolarHBondContact NE2-O 2.82Å; E418-T440 HydrophobicContact CG-CG2 3.35Å; E418-T440 WeakPolarHBondContact OE1-CG2 3.29Å; E418-K442 HydrophobicContact CG-CG 4.08Å; E418-K442 WeakPolarHBondContact OE1-CE 3.5Å; E418-K442 VanDerWaalsContact OE1-CG 3.31Å; E418-K442 WeakPolarHBondContact OE1-CG 3.39Å; E418-K442 IonicContact OE1-NZ 2.69Å
419	Y	92.4	Very high	93.9	Very high	23 Å²	23	51.2 Å²	51.2	9%	0.09	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.4	177.2	-68.5	-92.4	0	0	0	111.7	V391 P392 F393 Q416 T440 V441 I443	V391-Y419 HydrophobicContact CB-CD1 4.47Å; V391-Y419 HydrophobicContact CG1-CD1 4.28Å; P392-Y419 HydrophobicContact CG-CD1 4.49Å; P392-Y419 HydrophobicContact CG-CE1 3.9Å; P392-Y419 HydrophobicContact CG-CE2 4.23Å; F393-Y419 HydrophobicContact CE2-CD1 4.03Å; F393-Y419 AromaticContact CE2-CD2 3.99Å; F393-Y419 HydrophobicContact CE2-CD2 3.99Å; F393-Y419 AromaticContact CE2-CG 3.64Å; F393-Y419 HydrophobicContact CE2-CG 3.64Å; F393-Y419 AromaticContact CZ-CD2 3.99Å; F393-Y419 HydrophobicContact CZ-CD2 3.99Å; F393-Y419 HydrophobicContact CZ-CG 4.13Å; Q416-Y419 HydrophobicContact CB-CE1 4.41Å; Q416-Y419 HydrophobicContact CB-CE2 4.07Å; Q416-Y419 HydrophobicContact CG-CD1 4.4Å; Q416-Y419 HydrophobicContact CG-CD2 4.26Å; Q416-Y419 HydrophobicContact CG-CE1 4Å; Q416-Y419 HydrophobicContact CG-CE2 3.87Å; Y419-T440 WeakPolarHBondContact O-CA 3.49Å; Y419-V441 PolarHBondContact N-O 2.97Å; Y419-V441 PolarHBondContact O-N 3.18Å; Y419-I443 HydrophobicContact CD2-CD1 3.93Å; Y419-I443 HydrophobicContact CD2-CG1 4.14Å; Y419-I443 HydrophobicContact CE2-CD1 4.03Å; Y419-I443 HydrophobicContact CE2-CG1 4.05Å
420	N	92.7	Very high	93.8	Very high	102 Å²	102	50.7 Å²	50.7	55%	0.545	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	96.2	170.1	-173.5	4.6	0	0	0	110.2	T422 S438	N420-T422 PolarHBondContact O-N 2.86Å; N420-S438 VanDerWaalsContact OD1-CB 3.23Å; N420-S438 WeakPolarHBondContact OD1-CB 3.23Å
421	V	92.6	Very high	93.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.7	-174.6	-176.1	0	0	0	0	109.4	V387 F393 V405 S438 F439 V441	V387-V421 HydrophobicContact CG1-CG1 4.03Å; F393-V421 HydrophobicContact CD2-CG2 3.43Å; F393-V421 VanDerWaalsContact CD2-CG2 3.43Å; F393-V421 HydrophobicContact CE2-CG2 3.67Å; F393-V421 HydrophobicContact CG-CG2 4.21Å; V405-V421 HydrophobicContact CG1-CG1 4.42Å; V421-S438 VanDerWaalsContact O-CA 3.26Å; V421-S438 WeakPolarHBondContact O-CA 3.27Å; V421-F439 HydrophobicContact CB-CD1 4.26Å; V421-F439 HydrophobicContact CB-CE1 3.86Å; V421-F439 HydrophobicContact CB-CZ 4.04Å; V421-F439 HydrophobicContact CG1-CE1 3.81Å; V421-F439 HydrophobicContact CG1-CZ 4.09Å; V421-F439 PolarHBondContact N-O 3.37Å; V421-F439 PolarHBondContact O-N 2.82Å; V421-V441 HydrophobicContact CB-CG2 4.45Å; V421-V441 HydrophobicContact CG2-CB 4.3Å; V421-V441 HydrophobicContact CG2-CG2 3.64Å
422	T	94.1	Very high	93.8	Very high	21 Å²	21	52.7 Å²	52.7	13%	0.129	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.7	177.9	-59.4	0	0	0	0	110.5	V387 L388 N420 S438	V387-T422 CarbonylContact C-O 3.37Å; L388-T422 HydrophobicContact CB-CG2 4.09Å; L388-T422 HydrophobicContact CD2-CG2 4.1Å; L388-T422 PolarHBondContact N-O 2.8Å; N420-T422 PolarHBondContact O-N 2.86Å; T422-S438 WeakPolarHBondContact CB-OG 3.28Å; T422-S438 WeakPolarHBondContact CG2-OG 3.29Å; T422-S438 WeakPolarHBondContact OG1-CB 3.36Å; T422-S438 PolarHBondContact OG1-OG 3.45Å
423	I	94.8	Very high	93.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.8	171.8	-54.5	-178.8	0	0	0	108.3	I347 F349 V370 L395 V405 T436 K437 F439	I347-I423 HydrophobicContact CD1-CG2 4.43Å; F349-I423 HydrophobicContact CE1-CD1 4.06Å; V370-I423 HydrophobicContact CB-CD1 4.38Å; V370-I423 HydrophobicContact CG1-CD1 4.01Å; V370-I423 HydrophobicContact CG2-CD1 3.57Å; L395-I423 HydrophobicContact CD1-CD1 4.26Å; L395-I423 HydrophobicContact CD2-CG2 4.46Å; V405-I423 HydrophobicContact CG2-CD1 3.81Å; I423-T436 CarbonylContact O-C 3.49Å; I423-T436 VanDerWaalsContact O-CA 3.26Å; I423-T436 WeakPolarHBondContact O-CA 3.49Å; I423-K437 PolarHBondContact N-O 2.86Å; I423-K437 PolarHBondContact O-N 3.27Å; I423-F439 HydrophobicContact CD1-CE1 4.31Å
424	V	95.1	Very high	93.7	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.3	170.5	-170.5	0	0	0	0	108.2	C385 R386 L388 S435 T436	C385-V424 CarbonylContact C-O 3.59Å; C385-V424 WeakPolarHBondContact CA-O 3.07Å; R386-V424 HydrophobicContact CG-CB 4.23Å; R386-V424 PolarHBondContact N-O 3.36Å; R386-V424 PolarHBondContact O-N 2.87Å; L388-V424 HydrophobicContact CB-CG2 3.99Å; L388-V424 HydrophobicContact CD1-CG2 3.79Å; L388-V424 HydrophobicContact CG-CG2 4.45Å; V424-S435 WeakPolarHBondContact CA-O 3.3Å; V424-T436 HydrophobicContact CG1-CG2 4.24Å; V424-T436 HydrophobicContact CG2-CG2 4.1Å
425	A	96	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.5	163.1	0	0	0	0	0	108.6	P345 I347 V372 N434 S435	P345-A425 HydrophobicContact CB-CB 3.7Å; I347-A425 HydrophobicContact CD1-CB 3.88Å; I347-A425 HydrophobicContact CG1-CB 3.9Å; V372-A425 HydrophobicContact CG1-CB 3.5Å; A425-N434 CarbonylContact O-C 3.58Å; A425-N434 WeakPolarHBondContact O-CA 2.74Å; A425-N434 VanDerWaalsContact O-CB 3.24Å; A425-N434 WeakPolarHBondContact O-CB 3.31Å; A425-S435 PolarHBondContact N-O 2.89Å; A425-S435 PolarHBondContact O-N 3.03Å
426	K	94.9	Very high	93.8	Very high	59 Å²	59	49.9 Å²	49.9	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.8	176.8	-177.4	-154.5	167	-68.7	0	107.7	L383 Q384 L433 N434	L383-K426 CarbonylContact C-O 3.33Å; Q384-K426 PolarHBondContact N-O 3.35Å; Q384-K426 PolarHBondContact O-N 2.8Å; Q384-K426 VanDerWaalsContact O-N 3.11Å; K426-L433 WeakPolarHBondContact CA-O 3.48Å; K426-L433 WeakPolarHBondContact CG-O 3.15Å; K426-N434 HydrophobicContact CB-CB 4.03Å; K426-N434 HydrophobicContact CG-CB 4.15Å
427	D	95.5	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.			trans	-72.1	-172	171.4	57.5	41.4	0	0	0	112.8	N341 P345 N380 Q382 G429 P432 L433	N341-D427 PolarHBondContact ND2-OD2 3.19Å; N341-D427 PolarHBondContact OD1-OD2 3.19Å; P345-D427 HydrophobicContact CG-CB 4.45Å; N380-D427 WeakPolarHBondContact O-CB 3.42Å; Q382-D427 CarbonylContact O-C 3.52Å; Q382-D427 VanDerWaalsContact O-C 3.23Å; Q382-D427 WeakPolarHBondContact O-CA 3.24Å; D427-G429 PolarHBondContact OD1-N 2.81Å; D427-P432 WeakPolarHBondContact OD1-CA 3.47Å; D427-P432 WeakPolarHBondContact OD1-CB 3.36Å; D427-L433 VanDerWaalsContact CG-N 3.31Å; D427-L433 PolarHBondContact N-O 2.86Å; D427-L433 PolarHBondContact OD1-N 2.92Å; D427-L433 VanDerWaalsContact OD2-CA 3.26Å; D427-L433 WeakPolarHBondContact OD2-CA 3.41Å; D427-L433 WeakPolarHBondContact OD2-CB 3.21Å; D427-L433 PolarHBondContact OD2-N 3.06Å
428	N	94.1	Very high	93.8	Very high	62 Å²	62	47.6 Å²	47.6	33%	0.332	27%	0.274	S	S	.	.	S	Bend	trans	-113.1	31.7	162.8	-74.2	-38.1	0	0	0	112.5	R379 Q382	R379-N428 CarbonylContact O-C 3.55Å; R379-N428 WeakPolarHBondContact O-CA 3.46Å; R379-N428 WeakPolarHBondContact O-CB 3.48Å; R379-N428 PolarHBondContact O-N 3.25Å; Q382-N428 HydrophobicContact CB-CB 4.32Å; Q382-N428 PolarHBondContact O-N 3.27Å; Q382-N428 PolarHBondContact OE1-ND2 3.22Å
429	G	92	Very high	93.7	Very high	11 Å²	11	44.4 Å²	44.4	11%	0.113	26%	0.259	C	S	.	.			trans	-66.7	175.7	176.8	0	0	0	0	0	115.8	N341 D427 P431	N341-G429 WeakPolarHBondContact OD1-CA 3.49Å; N341-G429 PolarHBondContact OD1-N 3.38Å; D427-G429 PolarHBondContact OD1-N 2.81Å; G429-P431 CarbonylContact C-O 3.36Å
430	S	90.1	Very high	93.7	Very high	115 Å²	115	47 Å²	47	80%	0.804	28%	0.277	S	S	*	.	S	Bend	trans	-147.7	92.4	176.7	174	0	0	0	0	111.3
431	P	92.9	Very high	93.7	Very high	99 Å²	99	42.5 Å²	42.5	64%	0.643	25%	0.254	S	S	*	.	S	Bend	cis	-70.2	149.8	4.4	31.4	-36.6	0	0	0	112.2	G429	G429-P431 CarbonylContact C-O 3.36Å
432	P	93.8	Very high	93.7	Very high	59 Å²	59	48.4 Å²	48.4	38%	0.383	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-84.4	133.6	176.1	31.6	-33	0	0	0	112.4	D427	D427-P432 WeakPolarHBondContact OD1-CA 3.47Å; D427-P432 WeakPolarHBondContact OD1-CB 3.36Å
433	L	94.3	Very high	93.7	Very high	28 Å²	28	48 Å²	48	15%	0.147	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-93.5	162.1	174.2	-51	174.8	0	0	0	109.8	N341 N343 W344 K426 D427	N341-L433 WeakPolarHBondContact ND2-CD1 3.1Å; N343-L433 WeakPolarHBondContact O-CD1 3.31Å; W344-L433 HydrophobicContact CD2-CB 4.2Å; W344-L433 HydrophobicContact CD2-CD1 4.49Å; W344-L433 HydrophobicContact CE3-CB 4.5Å; W344-L433 HydrophobicContact CG-CB 4.44Å; W344-L433 HydrophobicContact CG-CD1 4.26Å; W344-L433 HydrophobicContact CZ2-CD2 3.93Å; K426-L433 WeakPolarHBondContact CA-O 3.48Å; K426-L433 WeakPolarHBondContact CG-O 3.15Å; D427-L433 VanDerWaalsContact CG-N 3.31Å; D427-L433 PolarHBondContact N-O 2.86Å; D427-L433 PolarHBondContact OD1-N 2.92Å; D427-L433 VanDerWaalsContact OD2-CA 3.26Å; D427-L433 WeakPolarHBondContact OD2-CA 3.41Å; D427-L433 WeakPolarHBondContact OD2-CB 3.21Å; D427-L433 PolarHBondContact OD2-N 3.06Å
434	N	94.8	Very high	93.6	Very high	76 Å²	76	52.2 Å²	52.2	41%	0.406	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	144.4	-179.6	60.9	101.2	0	0	0	111.3	W344 A425 K426	W344-N434 WeakPolarHBondContact CZ3-O 3.23Å; A425-N434 CarbonylContact O-C 3.58Å; A425-N434 WeakPolarHBondContact O-CA 2.74Å; A425-N434 VanDerWaalsContact O-CB 3.24Å; A425-N434 WeakPolarHBondContact O-CB 3.31Å; K426-N434 HydrophobicContact CB-CB 4.03Å; K426-N434 HydrophobicContact CG-CB 4.15Å
435	S	95.5	Very high	93.5	Very high	24 Å²	24	53.2 Å²	53.2	17%	0.168	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.3	173.1	75.5	0	0	0	0	111.1	P345 I347 V424 A425	P345-S435 WeakPolarHBondContact O-CB 3.45Å; P345-S435 PolarHBondContact O-OG 3.13Å; I347-S435 WeakPolarHBondContact CD1-OG 3.3Å; I347-S435 WeakPolarHBondContact CG1-OG 3.21Å; V424-S435 WeakPolarHBondContact CA-O 3.3Å; A425-S435 PolarHBondContact N-O 2.89Å; A425-S435 PolarHBondContact O-N 3.03Å
436	T	95.5	Very high	93.4	Very high	90 Å²	90	57.1 Å²	57.1	55%	0.552	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	178.6	62.7	0	0	0	0	110.1	I423 V424	I423-T436 CarbonylContact O-C 3.49Å; I423-T436 VanDerWaalsContact O-CA 3.26Å; I423-T436 WeakPolarHBondContact O-CA 3.49Å; V424-T436 HydrophobicContact CG1-CG2 4.24Å; V424-T436 HydrophobicContact CG2-CG2 4.1Å
437	K	93.6	Very high	93.4	Very high	84 Å²	84	55.3 Å²	55.3	37%	0.365	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.7	175.7	-156.9	179.3	-169.9	179.2	0	110.4	I347 F349 I423	I347-K437 HydrophobicContact CB-CB 3.98Å; I347-K437 HydrophobicContact CB-CD 4.01Å; I347-K437 HydrophobicContact CD1-CB 4.01Å; I347-K437 HydrophobicContact CG2-CB 3.88Å; I347-K437 HydrophobicContact CG2-CD 3.92Å; I347-K437 WeakPolarHBondContact O-CD 3.24Å; I347-K437 WeakPolarHBondContact O-CE 3.41Å; I347-K437 PolarHBondContact O-NZ 2.81Å; F349-K437 HydrophobicContact CD2-CD 4.04Å; F349-K437 HydrophobicContact CE2-CB 4.49Å; F349-K437 HydrophobicContact CE2-CD 3.62Å; F349-K437 HydrophobicContact CE2-CG 3.69Å; F349-K437 HydrophobicContact CZ-CB 4.22Å; F349-K437 HydrophobicContact CZ-CD 4.01Å; F349-K437 HydrophobicContact CZ-CG 3.91Å; I423-K437 PolarHBondContact N-O 2.86Å; I423-K437 PolarHBondContact O-N 3.27Å
438	S	92.9	Very high	93.3	Very high	53 Å²	53	60.3 Å²	60.3	37%	0.371	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.8	-172	-38.9	0	0	0	0	111.8	N420 V421 T422	N420-S438 VanDerWaalsContact OD1-CB 3.23Å; N420-S438 WeakPolarHBondContact OD1-CB 3.23Å; V421-S438 VanDerWaalsContact O-CA 3.26Å; V421-S438 WeakPolarHBondContact O-CA 3.27Å; T422-S438 WeakPolarHBondContact CB-OG 3.28Å; T422-S438 WeakPolarHBondContact CG2-OG 3.29Å; T422-S438 WeakPolarHBondContact OG1-CB 3.36Å; T422-S438 PolarHBondContact OG1-OG 3.45Å
439	F	91.4	Very high	93.3	Very high	17 Å²	17	59.8 Å²	59.8	8%	0.075	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.9	171.6	70.8	-77.9	0	0	0	110.2	F349 V352 I367 A368 V405 V421 I423 V441	F349-F439 AromaticContact CE1-CD1 3.76Å; F349-F439 HydrophobicContact CE1-CD1 3.76Å; F349-F439 HydrophobicContact CE1-CE1 4.28Å; F349-F439 HydrophobicContact CE1-CG 4.49Å; F349-F439 HydrophobicContact CE2-CB 4.14Å; F349-F439 HydrophobicContact CZ-CB 4.08Å; F349-F439 AromaticContact CZ-CD1 3.68Å; F349-F439 HydrophobicContact CZ-CD1 3.68Å; F349-F439 HydrophobicContact CZ-CG 4.24Å; V352-F439 HydrophobicContact CG1-CD2 3.74Å; V352-F439 HydrophobicContact CG1-CE2 4.11Å; V352-F439 HydrophobicContact CG2-CD2 4.4Å; I367-F439 HydrophobicContact CG2-CE2 3.98Å; A368-F439 HydrophobicContact CB-CE1 4.33Å; A368-F439 HydrophobicContact CB-CE2 3.94Å; A368-F439 HydrophobicContact CB-CZ 3.73Å; V405-F439 HydrophobicContact CB-CZ 4.24Å; V405-F439 HydrophobicContact CG1-CZ 4.03Å; V405-F439 HydrophobicContact CG2-CE1 4.22Å; V405-F439 HydrophobicContact CG2-CZ 4.19Å; V421-F439 HydrophobicContact CB-CD1 4.26Å; V421-F439 HydrophobicContact CB-CE1 3.86Å; V421-F439 HydrophobicContact CB-CZ 4.04Å; V421-F439 HydrophobicContact CG1-CE1 3.81Å; V421-F439 HydrophobicContact CG1-CZ 4.09Å; V421-F439 PolarHBondContact N-O 3.37Å; V421-F439 PolarHBondContact O-N 2.82Å; I423-F439 HydrophobicContact CD1-CE1 4.31Å; F439-V441 HydrophobicContact CD2-CG2 3.96Å; F439-V441 HydrophobicContact CE2-CG2 3.45Å; F439-V441 VanDerWaalsContact CE2-CG2 3.45Å; F439-V441 HydrophobicContact CZ-CG2 4.19Å
440	T	91.6	Very high	93.4	Very high	78 Å²	78	62.7 Å²	62.7	48%	0.479	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.3	-175.3	-47.7	0	0	0	0	111.1	E418 Y419	E418-T440 HydrophobicContact CG-CG2 3.35Å; E418-T440 WeakPolarHBondContact OE1-CG2 3.29Å; Y419-T440 WeakPolarHBondContact O-CA 3.49Å
441	V	92	Very high	93.7	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	112	174.5	-178.9	0	0	0	0	107.7	I357 I367 F393 Y419 V421 F439 I443	I357-V441 HydrophobicContact CG2-CG1 3.58Å; I367-V441 HydrophobicContact CD1-CG1 4.45Å; I367-V441 HydrophobicContact CG2-CG1 4.19Å; I367-V441 HydrophobicContact CG2-CG2 3.77Å; F393-V441 HydrophobicContact CE1-CG1 4.36Å; F393-V441 HydrophobicContact CZ-CB 4.38Å; F393-V441 HydrophobicContact CZ-CG1 4.02Å; Y419-V441 PolarHBondContact N-O 2.97Å; Y419-V441 PolarHBondContact O-N 3.18Å; V421-V441 HydrophobicContact CB-CG2 4.45Å; V421-V441 HydrophobicContact CG2-CB 4.3Å; V421-V441 HydrophobicContact CG2-CG2 3.64Å; F439-V441 HydrophobicContact CD2-CG2 3.96Å; F439-V441 HydrophobicContact CE2-CG2 3.45Å; F439-V441 VanDerWaalsContact CE2-CG2 3.45Å; F439-V441 HydrophobicContact CZ-CG2 4.19Å; V441-I443 HydrophobicContact CG1-CD1 4.42Å
442	K	92.4	Very high	93.8	Very high	123 Å²	123	61.6 Å²	61.6	54%	0.535	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.7	169.3	-73.4	-172.9	171.1	-168.1	0	110	A356 I357 E418	A356-K442 WeakPolarHBondContact CA-O 3.29Å; A356-K442 HydrophobicContact CB-CB 3.72Å; A356-K442 VanDerWaalsContact CB-O 3.23Å; A356-K442 WeakPolarHBondContact CB-O 3.23Å; I357-K442 PolarHBondContact N-O 3.44Å; E418-K442 HydrophobicContact CG-CG 4.08Å; E418-K442 WeakPolarHBondContact OE1-CE 3.5Å; E418-K442 VanDerWaalsContact OE1-CG 3.31Å; E418-K442 WeakPolarHBondContact OE1-CG 3.39Å; E418-K442 IonicContact OE1-NZ 2.69Å
443	I	94.3	Very high	93.9	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144	172.2	-48	-51.1	0	0	0	108.6	I357 E359 L411 R413 Q416 D417 Y419 V441	I357-I443 HydrophobicContact CG2-CD1 3.74Å; I357-I443 CarbonylContact O-C 3.52Å; I357-I443 VanDerWaalsContact O-CA 3.27Å; I357-I443 WeakPolarHBondContact O-CA 3.29Å; E359-I443 HydrophobicContact CB-CG2 3.74Å; L411-I443 HydrophobicContact CD1-CD1 4.12Å; L411-I443 HydrophobicContact CD2-CD1 4.25Å; R413-I443 HydrophobicContact CB-CB 4.38Å; R413-I443 HydrophobicContact CB-CG2 3.87Å; R413-I443 HydrophobicContact CG-CB 4.24Å; R413-I443 HydrophobicContact CG-CG2 4.19Å; Q416-I443 WeakPolarHBondContact O-CG1 3.23Å; D417-I443 PolarHBondContact O-N 3.38Å; Y419-I443 HydrophobicContact CD2-CD1 3.93Å; Y419-I443 HydrophobicContact CD2-CG1 4.14Å; Y419-I443 HydrophobicContact CE2-CD1 4.03Å; Y419-I443 HydrophobicContact CE2-CG1 4.05Å; V441-I443 HydrophobicContact CG1-CD1 4.42Å
444	L	92.9	Very high	93.9	Very high	88 Å²	88	62.5 Å²	62.5	46%	0.461	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.3	169.4	-69.9	177	0	0	0	109.8	A356 I357 E359	A356-L444 HydrophobicContact CB-CD1 4.16Å; A356-L444 HydrophobicContact CB-CD2 3.63Å; A356-L444 HydrophobicContact CB-CG 3.5Å; A356-L444 WeakPolarHBondContact O-CD1 2.97Å; I357-L444 PolarHBondContact O-N 3.03Å; E359-L444 PolarHBondContact N-O 3.03Å; E359-L444 VanDerWaalsContact N-O 3.14Å
445	D	93.5	Very high	93.9	Very high	30 Å²	30	64.8 Å²	64.8	16%	0.16	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-64.7	130.3	175.8	-166.6	83.9	0	0	0	112.3	E359 R413 L482 N485	E359-D445 VanDerWaalsContact OE1-CA 3.22Å; E359-D445 WeakPolarHBondContact OE1-CA 3.11Å; R413-D445 IonicContact CZ-OD1 2.7Å; R413-D445 IonicContact NE-OD1 3.09Å; R413-D445 PolarHBondContact NE-OD1 2.89Å; R413-D445 IonicContact NH2-OD1 3.29Å; R413-D445 PolarHBondContact NH2-OD1 3.21Å; D445-L482 HydrophobicContact CB-CB 3.9Å; D445-L482 VanDerWaalsContact CG-CB 3.43Å; D445-L482 WeakPolarHBondContact OD1-CB 3.01Å; D445-L482 PolarHBondContact OD1-N 3.47Å; D445-L482 PolarHBondContact OD2-N 2.9Å; D445-L482 VanDerWaalsContact OD2-N 3.13Å; D445-N485 WeakPolarHBondContact OD2-CB 3.16Å; D445-N485 PolarHBondContact OD2-ND2 2.86Å
446	E	93.7	Very high	93.7	Very high	82 Å²	82	68.4 Å²	68.4	38%	0.383	36%	0.355	S	S	.	.			trans	-117.5	150.2	166.7	-64.1	-73.9	169.8	0	0	109.5	S358 E359 A360 D448	S358-E446 WeakPolarHBondContact CB-OE1 3.38Å; S358-E446 VanDerWaalsContact OG-CD 3.3Å; S358-E446 VanDerWaalsContact OG-CG 3.31Å; S358-E446 WeakPolarHBondContact OG-CG 3.41Å; S358-E446 PolarHBondContact OG-OE1 2.86Å; E359-E446 HydrophobicContact CG-CB 4.12Å; E359-E446 HydrophobicContact CG-CG 4.09Å; E359-E446 PolarHBondContact OE1-N 2.85Å; A360-E446 HydrophobicContact CB-CG 3.96Å; E446-D448 VanDerWaalsContact C-N 3.28Å; E446-D448 PolarHBondContact O-N 2.94Å
447	N	94.6	Very high	93.7	Very high	21 Å²	21	67.8 Å²	67.8	11%	0.112	35%	0.351	C	S	.	.	S	Bend	trans	-80.7	74.7	-177.3	-160.9	111	0	0	0	110.9	D481 N485 D537 G539 L543	N447-D481 WeakPolarHBondContact CA-OD2 3.13Å; N447-N485 HydrophobicContact CB-CB 4.1Å; N447-N485 PolarHBondContact N-ND2 2.83Å; N447-N485 WeakPolarHBondContact OD1-CA 3.23Å; N447-N485 WeakPolarHBondContact OD1-CB 3.47Å; N447-N485 PolarHBondContact OD1-OD1 2.94Å; N447-D537 PolarHBondContact ND2-OD2 3.34Å; N447-D537 PolarHBondContact OD1-OD2 2.72Å; N447-G539 WeakPolarHBondContact OD1-CA 3.44Å; N447-L543 WeakPolarHBondContact ND2-CD1 3.29Å; N447-L543 VanDerWaalsContact O-CD1 3.25Å; N447-L543 WeakPolarHBondContact O-CD1 3.39Å
448	D	93.1	Very high	93.8	Very high	105 Å²	105	64.5 Å²	64.5	56%	0.561	34%	0.336	S	S	*	.			trans	-103.7	-28.5	-168.3	145.5	-69.4	0	0	0	112.6	E446 D481	E446-D448 VanDerWaalsContact C-N 3.28Å; E446-D448 PolarHBondContact O-N 2.94Å; D448-D481 PolarHBondContact N-OD2 3.14Å; D448-D481 VanDerWaalsContact N-OD2 3.14Å
449	N	93.9	Very high	93.9	Very high	52 Å²	52	67.1 Å²	67.1	28%	0.278	35%	0.346	S	S	.	.	S	Bend	trans	-91.2	167.7	177.1	-67.2	-86.1	0	0	0	112.6	P480 D481 L543	N449-P480 HydrophobicContact CB-CG 3.54Å; N449-P480 VanDerWaalsContact CG-CG 3.41Å; N449-D481 VanDerWaalsContact CB-OD1 3.23Å; N449-D481 WeakPolarHBondContact CB-OD1 3.19Å; N449-D481 PolarHBondContact N-OD2 2.83Å; N449-D481 PolarHBondContact ND2-OD1 3.43Å; N449-L543 WeakPolarHBondContact O-CD1 3.41Å
450	V	94.5	Very high	94.1	Very high	71 Å²	71	67.5 Å²	67.5	43%	0.43	35%	0.348	S	S	.	.			trans	-117.7	140.6	179.6	-48.6	0	0	0	0	111	R452 L543	V450-R452 PolarHBondContact O-N 2.64Å; V450-L543 HydrophobicContact CB-CB 4.44Å; V450-L543 HydrophobicContact CG1-CB 4.07Å; V450-L543 HydrophobicContact CG1-CD1 4.2Å
451	P	96.3	Very high	94.3	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.			trans	-58.8	104.4	-178.4	-30.8	35.8	0	0	0	112.4	D479 V488 A535 D537 S545	P451-D479 VanDerWaalsContact CA-OD2 3.24Å; P451-D479 WeakPolarHBondContact CA-OD2 3.33Å; P451-D479 WeakPolarHBondContact CD-OD2 3.33Å; P451-D479 WeakPolarHBondContact CG-OD2 3.24Å; P451-V488 HydrophobicContact CB-CG1 3.92Å; P451-V488 HydrophobicContact CB-CG2 3.86Å; P451-V488 HydrophobicContact CG-CG2 4.23Å; P451-A535 HydrophobicContact CB-CB 3.88Å; P451-D537 HydrophobicContact CG-CB 4.04Å; P451-S545 WeakPolarHBondContact O-CB 3.17Å; P451-S545 PolarHBondContact O-OG 2.82Å
452	R	95.4	Very high	94.4	Very high	191 Å²	191	70 Å²	70	72%	0.721	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	111.9	-165	-177.1	175.5	172.3	177	-2.7	112.6	V450 A477 H478	V450-R452 PolarHBondContact O-N 2.64Å; R452-A477 CarbonylContact O-C 3.59Å; R452-A477 VanDerWaalsContact O-CA 3.26Å; R452-A477 WeakPolarHBondContact O-CA 3.39Å; R452-H478 PolarHBondContact N-O 3.38Å; R452-H478 PolarHBondContact O-N 2.79Å
453	F	96.4	Very high	94.4	Very high	18 Å²	18	67 Å²	67	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	138.8	173	-72.2	-79.8	0	0	0	113.3	K455 Y458 V475 L476 A477 Y490 V533 A535 S545 A547	F453-K455 WeakPolarHBondContact CB-O 3.22Å; F453-K455 PolarHBondContact O-N 2.85Å; F453-Y458 HydrophobicContact CB-CE2 4.44Å; F453-Y458 HydrophobicContact CD1-CE2 4.09Å; F453-V475 HydrophobicContact CD1-CB 4.15Å; F453-V475 HydrophobicContact CE1-CB 3.83Å; F453-V475 HydrophobicContact CE1-CG2 3.8Å; F453-L476 WeakPolarHBondContact CA-O 3.46Å; F453-A477 HydrophobicContact CD1-CB 3.89Å; F453-A477 HydrophobicContact CD2-CB 4.47Å; F453-A477 HydrophobicContact CE1-CB 4.18Å; F453-A477 HydrophobicContact CG-CB 4.06Å; F453-Y490 HydrophobicContact CE1-CD1 4.08Å; F453-Y490 AromaticContact CE1-CE1 3.87Å; F453-Y490 HydrophobicContact CE1-CE1 3.87Å; F453-Y490 HydrophobicContact CZ-CD1 4.34Å; F453-Y490 HydrophobicContact CZ-CE1 4.42Å; F453-V533 WeakPolarHBondContact CE2-O 3.43Å; F453-V533 HydrophobicContact CZ-CB 4.42Å; F453-V533 HydrophobicContact CZ-CG1 4.25Å; F453-V533 WeakPolarHBondContact CZ-O 3.06Å; F453-A535 HydrophobicContact CD2-CB 4.2Å; F453-A535 HydrophobicContact CE1-CB 4.03Å; F453-A535 HydrophobicContact CE2-CB 3.41Å; F453-A535 VanDerWaalsContact CE2-CB 3.41Å; F453-A535 HydrophobicContact CZ-CB 3.34Å; F453-S545 WeakPolarHBondContact CD2-OG 3.33Å; F453-A547 HydrophobicContact CB-CB 3.92Å; F453-A547 HydrophobicContact CD1-CB 3.87Å; F453-A547 HydrophobicContact CD2-CB 3.56Å; F453-A547 HydrophobicContact CE1-CB 4.21Å; F453-A547 HydrophobicContact CE2-CB 3.93Å; F453-A547 HydrophobicContact CG-CB 3.5Å; F453-A547 HydrophobicContact CZ-CB 4.22Å
454	T	94.7	Very high	94.2	Very high	88 Å²	88	66.7 Å²	66.7	54%	0.54	35%	0.346	S	S	.	.	S	Bend	trans	-64.1	-21.1	175	60.8	0	0	0	0	113.8	Y458 L476	T454-Y458 PolarHBondContact OG1-OH 3.09Å; T454-L476 HydrophobicContact CG2-CB 4.22Å; T454-L476 HydrophobicContact CG2-CD2 4.15Å; T454-L476 HydrophobicContact CG2-CG 4.16Å; T454-L476 PolarHBondContact N-O 2.96Å; T454-L476 PolarHBondContact OG1-O 2.81Å
455	K	92.9	Very high	94.1	Very high	125 Å²	125	66.5 Å²	66.5	54%	0.543	35%	0.345	S	S	.	.			trans	-140.7	141.7	174.8	-56.6	176.9	-174.5	171.9	0	109.5	F453 Y458	F453-K455 WeakPolarHBondContact CB-O 3.22Å; F453-K455 PolarHBondContact O-N 2.85Å; K455-Y458 HydrophobicContact CB-CD1 4.48Å; K455-Y458 HydrophobicContact CB-CD2 4.21Å; K455-Y458 HydrophobicContact CB-CE1 4.2Å; K455-Y458 HydrophobicContact CB-CE2 3.92Å; K455-Y458 HydrophobicContact CB-CG 4.48Å; K455-Y458 HydrophobicContact CD-CD1 4.03Å; K455-Y458 HydrophobicContact CD-CE1 4.04Å; K455-Y458 HydrophobicContact CG-CE1 4.29Å; K455-Y458 WeakPolarHBondContact O-CE2 3.31Å
456	S	92.7	Very high	94.1	Very high	99 Å²	99	65.4 Å²	65.4	69%	0.692	34%	0.339	S	S	*	.	S	Bend	trans	-75	-27.9	171.5	52	0	0	0	0	112.9	T548	S456-T548 PolarHBondContact O-N 2.84Å
457	V	95.5	Very high	94.1	Very high	77 Å²	77	67.1 Å²	67.1	47%	0.467	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.3	174.2	-173.5	0	0	0	0	109.9	T548	V457-T548 CarbonylContact C-O 3.6Å; V457-T548 VanDerWaalsContact CA-O 3.26Å; V457-T548 WeakPolarHBondContact CA-O 3.4Å
458	Y	95.7	Very high	94	Very high	15 Å²	15	70.1 Å²	70.1	6%	0.059	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.9	170.2	-65.1	-103.8	0	0	0	108.3	F453 T454 K455 V475 L476 A547 T548 V549 R550	F453-Y458 HydrophobicContact CB-CE2 4.44Å; F453-Y458 HydrophobicContact CD1-CE2 4.09Å; T454-Y458 PolarHBondContact OG1-OH 3.09Å; K455-Y458 HydrophobicContact CB-CD1 4.48Å; K455-Y458 HydrophobicContact CB-CD2 4.21Å; K455-Y458 HydrophobicContact CB-CE1 4.2Å; K455-Y458 HydrophobicContact CB-CE2 3.92Å; K455-Y458 HydrophobicContact CB-CG 4.48Å; K455-Y458 HydrophobicContact CD-CD1 4.03Å; K455-Y458 HydrophobicContact CD-CE1 4.04Å; K455-Y458 HydrophobicContact CG-CE1 4.29Å; K455-Y458 WeakPolarHBondContact O-CE2 3.31Å; Y458-V475 HydrophobicContact CD1-CG1 4.09Å; Y458-V475 HydrophobicContact CD2-CG1 3.69Å; Y458-V475 HydrophobicContact CE1-CB 4.22Å; Y458-V475 HydrophobicContact CE1-CG1 4.12Å; Y458-V475 HydrophobicContact CE2-CB 4.05Å; Y458-V475 HydrophobicContact CE2-CG1 3.7Å; Y458-V475 HydrophobicContact CG-CG1 3.88Å; Y458-L476 PolarHBondContact OH-N 2.78Å; Y458-L476 VanDerWaalsContact OH-N 3.13Å; Y458-L476 PolarHBondContact OH-O 3.35Å; Y458-A547 HydrophobicContact CD2-CB 4.11Å; Y458-A547 HydrophobicContact CE2-CB 3.8Å; Y458-T548 PolarHBondContact N-O 3.22Å; Y458-V549 WeakPolarHBondContact O-CA 3.19Å; Y458-R550 PolarHBondContact O-N 3.14Å
459	L	95.4	Very high	94	Very high	109 Å²	109	67.6 Å²	67.6	57%	0.571	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.4	172.2	-178	65.7	0	0	0	108.7	Q461 R550	L459-Q461 HydrophobicContact CG-CG 4.46Å; L459-R550 HydrophobicContact CD1-CB 4.23Å; L459-R550 HydrophobicContact CD1-CG 4.12Å
460	L	94.9	Very high	94	Very high	25 Å²	25	68.6 Å²	68.6	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.9	172.2	-55.8	179	0	0	0	107.8	I462 L472 I515 V549 R550 I551 S552	L460-I462 HydrophobicContact CB-CD1 4.21Å; L460-I462 HydrophobicContact CB-CG1 4.37Å; L460-L472 HydrophobicContact CD1-CB 4.23Å; L460-I515 HydrophobicContact CD1-CD1 4.44Å; L460-V549 HydrophobicContact CD1-CG1 3.74Å; L460-V549 HydrophobicContact CG-CG1 4.16Å; L460-R550 PolarHBondContact N-O 3.31Å; L460-I551 HydrophobicContact CB-CG1 4.19Å; L460-I551 HydrophobicContact CD1-CG1 4.29Å; L460-S552 PolarHBondContact O-N 3.2Å
461	Q	94.6	Very high	94	Very high	125 Å²	125	71 Å²	71	58%	0.584	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	111.4	176.3	-60.9	-171.1	-84	0	0	107.8	L459 S552 L554	L459-Q461 HydrophobicContact CG-CG 4.46Å; Q461-S552 WeakPolarHBondContact CA-O 3.48Å; Q461-L554 HydrophobicContact CB-CD1 4.04Å; Q461-L554 HydrophobicContact CB-CD2 4.27Å; Q461-L554 HydrophobicContact CB-CG 4.18Å
462	I	94.8	Very high	93.9	Very high	13 Å²	13	71.7 Å²	71.7	7%	0.067	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.8	-168.2	-52	-57	0	0	0	107.6	L460 N466 L472 F521 I551 S552 V553 L554	L460-I462 HydrophobicContact CB-CD1 4.21Å; L460-I462 HydrophobicContact CB-CG1 4.37Å; I462-N466 HydrophobicContact CG2-CB 4.18Å; I462-L472 HydrophobicContact CD1-CB 3.92Å; I462-L472 HydrophobicContact CD1-CD2 3.87Å; I462-L472 HydrophobicContact CD1-CG 4.43Å; I462-L472 HydrophobicContact CG1-CB 4.44Å; I462-L472 HydrophobicContact CG1-CD2 4.04Å; I462-L472 HydrophobicContact CG2-CD2 3.74Å; I462-F521 HydrophobicContact CG2-CD2 4.09Å; I462-F521 HydrophobicContact CG2-CE2 4.17Å; I462-I551 HydrophobicContact CB-CG2 4.49Å; I462-I551 HydrophobicContact CG1-CG2 4.12Å; I462-S552 PolarHBondContact N-O 3.49Å; I462-V553 CarbonylContact O-C 3.58Å; I462-V553 WeakPolarHBondContact O-CA 3.48Å; I462-L554 PolarHBondContact O-N 2.86Å
463	P	92.1	Very high	93.9	Very high	60 Å²	60	63 Å²	63	39%	0.39	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	146.8	171.2	29	-34.5	0	0	0	110.2	V556	P463-V556 HydrophobicContact CB-CG2 3.8Å
464	E	91.6	Very high	93.8	Very high	6 Å²	6	64.8 Å²	64.8	3%	0.028	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	174.3	167.9	76.6	-173.6	111.9	0	0	112.4	N466 F521 N522 Y523 V553 L554 D555 V556	E464-N466 PolarHBondContact O-N 3.47Å; E464-N466 VanDerWaalsContact O-N 3.07Å; E464-F521 WeakPolarHBondContact CB-O 3.16Å; E464-N522 WeakPolarHBondContact OE2-CA 3.36Å; E464-N522 PolarHBondContact OE2-ND2 2.86Å; E464-Y523 VanDerWaalsContact CD-CB 3.47Å; E464-Y523 WeakPolarHBondContact OE1-CB 3.39Å; E464-Y523 WeakPolarHBondContact OE2-CB 3.42Å; E464-Y523 PolarHBondContact OE2-N 2.73Å; E464-V553 HydrophobicContact CB-CG1 3.67Å; E464-L554 PolarHBondContact N-O 2.95Å; E464-D555 WeakPolarHBondContact OE1-CA 3.1Å; E464-V556 HydrophobicContact CG-CB 3.86Å; E464-V556 HydrophobicContact CG-CG2 4.07Å; E464-V556 PolarHBondContact OE1-N 2.91Å
465	N	90.8	Very high	93.9	Very high	85 Å²	85	60.7 Å²	60.7	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	21	-171.9	-70.1	-55.1	0	0	0	113.8	F521 D558	N465-F521 PolarHBondContact N-O 3.14Å; N465-D558 PolarHBondContact ND2-OD2 3.05Å
466	N	92.6	Very high	94	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.032	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-56.8	156.1	171.8	74	-87	0	0	0	111.7	I462 E464 E470 A517 R519 S520 F521	I462-N466 HydrophobicContact CG2-CB 4.18Å; E464-N466 PolarHBondContact O-N 3.47Å; E464-N466 VanDerWaalsContact O-N 3.07Å; N466-E470 WeakPolarHBondContact CB-OE2 3.25Å; N466-A517 VanDerWaalsContact ND2-CB 3.28Å; N466-A517 WeakPolarHBondContact ND2-CB 3.11Å; N466-R519 PolarHBondContact ND2-O 3.47Å; N466-S520 WeakPolarHBondContact O-CA 3.37Å; N466-S520 WeakPolarHBondContact O-CB 3.26Å; N466-F521 WeakPolarHBondContact OD1-CD2 3.49Å; N466-F521 WeakPolarHBondContact OD1-CG 3.37Å; N466-F521 PolarHBondContact OD1-N 3.45Å
467	I	93.1	Very high	94.1	Very high	118 Å²	118	55 Å²	55	61%	0.605	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-81.5	135.8	-175.1	-51.4	-179.7	0	0	0	109.8	G469 E470	I467-G469 PolarHBondContact O-N 2.88Å; I467-E470 HydrophobicContact CB-CB 4.32Å; I467-E470 PolarHBondContact N-OE2 2.72Å; I467-E470 WeakPolarHBondContact O-CB 3.47Å; I467-E470 PolarHBondContact O-N 3.19Å
468	P	93.2	Very high	94.1	Very high	85 Å²	85	57.6 Å²	57.6	55%	0.552	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.1	167.2	-24	34.1	0	0	0	111
469	G	91.9	Very high	94.1	Very high	52 Å²	52	57.5 Å²	57.5	54%	0.536	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-0.6	-171.5	0	0	0	0	0	115.1	I467 A517	I467-G469 PolarHBondContact O-N 2.88Å; G469-A517 VanDerWaalsContact CA-O 3.31Å; G469-A517 WeakPolarHBondContact CA-O 3.42Å; G469-A517 PolarHBondContact N-O 3.01Å
470	E	94.1	Very high	94.1	Very high	73 Å²	73	54.8 Å²	54.8	34%	0.341	30%	0.302	S	S	.	.			trans	-67.2	142	178	-174.2	167.7	173.5	0	0	112.8	N466 I467 Y516 A517	N466-E470 WeakPolarHBondContact CB-OE2 3.25Å; I467-E470 HydrophobicContact CB-CB 4.32Å; I467-E470 PolarHBondContact N-OE2 2.72Å; I467-E470 WeakPolarHBondContact O-CB 3.47Å; I467-E470 PolarHBondContact O-N 3.19Å; E470-Y516 CarbonylContact O-C 3.57Å; E470-Y516 VanDerWaalsContact O-CA 3.24Å; E470-Y516 WeakPolarHBondContact O-CA 3.38Å; E470-A517 PolarHBondContact O-N 2.97Å
471	Y	95.4	Very high	94.1	Very high	122 Å²	122	54 Å²	54	48%	0.478	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.8	176.8	169.5	-97.9	0	0	0	110.6	G473 S474 A514 Y516	Y471-G473 VanDerWaalsContact CE2-C 3.47Å; Y471-G473 WeakPolarHBondContact CE2-O 3.14Å; Y471-G473 VanDerWaalsContact CZ-CA 3.47Å; Y471-G473 VanDerWaalsContact OH-C 3.24Å; Y471-S474 PolarHBondContact OH-N 2.77Å; Y471-S474 PolarHBondContact OH-OG 2.78Å; Y471-A514 HydrophobicContact CD2-CB 4.17Å; Y471-A514 HydrophobicContact CE2-CB 3.8Å; Y471-Y516 HydrophobicContact CD2-CE1 4.07Å; Y471-Y516 HydrophobicContact CG-CE1 4.46Å
472	L	94.9	Very high	94.1	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.068	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-18.8	-175	-55.8	-174.2	0	0	0	113.3	L460 I462 V506 I515 A517 F521 I551	L460-L472 HydrophobicContact CD1-CB 4.23Å; I462-L472 HydrophobicContact CD1-CB 3.92Å; I462-L472 HydrophobicContact CD1-CD2 3.87Å; I462-L472 HydrophobicContact CD1-CG 4.43Å; I462-L472 HydrophobicContact CG1-CB 4.44Å; I462-L472 HydrophobicContact CG1-CD2 4.04Å; I462-L472 HydrophobicContact CG2-CD2 3.74Å; L472-V506 HydrophobicContact CD1-CG1 3.78Å; L472-I515 HydrophobicContact CB-CG2 4.34Å; L472-I515 HydrophobicContact CD1-CG2 4.38Å; L472-I515 PolarHBondContact N-O 2.71Å; L472-A517 HydrophobicContact CD1-CB 4.09Å; L472-A517 HydrophobicContact CD2-CB 4.08Å; L472-A517 HydrophobicContact CG-CB 4.22Å; L472-F521 HydrophobicContact CD1-CE2 3.83Å; L472-F521 HydrophobicContact CD1-CZ 3.9Å; L472-F521 HydrophobicContact CD2-CE2 4.42Å; L472-I551 HydrophobicContact CD1-CD1 3.78Å
473	G	93.8	Very high	94	Very high	10 Å²	10	55 Å²	55	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.5	-173.8	-173.6	0	0	0	0	0	111.3	Y471 I515	Y471-G473 VanDerWaalsContact CE2-C 3.47Å; Y471-G473 WeakPolarHBondContact CE2-O 3.14Å; Y471-G473 VanDerWaalsContact CZ-CA 3.47Å; Y471-G473 VanDerWaalsContact OH-C 3.24Å; G473-I515 PolarHBondContact O-N 3.38Å
474	S	95	Very high	94	Very high	54 Å²	54	59 Å²	59	38%	0.378	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.7	173.7	54.9	0	0	0	0	112.4	Y471 G513	Y471-S474 PolarHBondContact OH-N 2.77Å; Y471-S474 PolarHBondContact OH-OG 2.78Å; S474-G513 VanDerWaalsContact CA-O 3.25Å; S474-G513 WeakPolarHBondContact CA-O 3.25Å; S474-G513 WeakPolarHBondContact CB-O 3.48Å
475	V	96.1	Very high	94.1	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	34%	0.339	C	S	.	.			trans	-96.4	154.3	163.4	-64.7	0	0	0	0	109.7	F453 Y458 Y490 G513 I515 V533 V549	F453-V475 HydrophobicContact CD1-CB 4.15Å; F453-V475 HydrophobicContact CE1-CB 3.83Å; F453-V475 HydrophobicContact CE1-CG2 3.8Å; Y458-V475 HydrophobicContact CD1-CG1 4.09Å; Y458-V475 HydrophobicContact CD2-CG1 3.69Å; Y458-V475 HydrophobicContact CE1-CB 4.22Å; Y458-V475 HydrophobicContact CE1-CG1 4.12Å; Y458-V475 HydrophobicContact CE2-CB 4.05Å; Y458-V475 HydrophobicContact CE2-CG1 3.7Å; Y458-V475 HydrophobicContact CG-CG1 3.88Å; V475-Y490 HydrophobicContact CG2-CD1 3.78Å; V475-Y490 HydrophobicContact CG2-CE1 4.01Å; V475-G513 PolarHBondContact N-O 3.02Å; V475-I515 HydrophobicContact CG1-CD1 4.08Å; V475-V533 HydrophobicContact CG2-CB 4.43Å; V475-V533 HydrophobicContact CG2-CG1 3.9Å; V475-V549 HydrophobicContact CG1-CG2 3.66Å
476	L	95.3	Very high	94.2	Very high	100 Å²	100	57.1 Å²	57.1	52%	0.524	33%	0.327	S	S	.	.			trans	-136.4	125.4	172.7	-178.6	62.9	0	0	0	109.4	F453 T454 Y458	F453-L476 WeakPolarHBondContact CA-O 3.46Å; T454-L476 HydrophobicContact CG2-CB 4.22Å; T454-L476 HydrophobicContact CG2-CD2 4.15Å; T454-L476 HydrophobicContact CG2-CG 4.16Å; T454-L476 PolarHBondContact N-O 2.96Å; T454-L476 PolarHBondContact OG1-O 2.81Å; Y458-L476 PolarHBondContact OH-N 2.78Å; Y458-L476 VanDerWaalsContact OH-N 3.13Å; Y458-L476 PolarHBondContact OH-O 3.35Å
477	A	95.6	Very high	94.3	Very high	6 Å²	6	59.4 Å²	59.4	5%	0.05	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.9	163.7	0	0	0	0	0	109.9	R452 F453 V488 Y490 A535	R452-A477 CarbonylContact O-C 3.59Å; R452-A477 VanDerWaalsContact O-CA 3.26Å; R452-A477 WeakPolarHBondContact O-CA 3.39Å; F453-A477 HydrophobicContact CD1-CB 3.89Å; F453-A477 HydrophobicContact CD2-CB 4.47Å; F453-A477 HydrophobicContact CE1-CB 4.18Å; F453-A477 HydrophobicContact CG-CB 4.06Å; A477-V488 HydrophobicContact CB-CG1 4.2Å; A477-Y490 HydrophobicContact CB-CE1 4.02Å; A477-Y490 PolarHBondContact N-OH 3.05Å; A477-Y490 PolarHBondContact O-OH 3.19Å; A477-A535 HydrophobicContact CB-CB 3.61Å
478	H	94.6	Very high	94.4	Very high	130 Å²	130	54.8 Å²	54.8	60%	0.602	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.7	175.5	-176.7	-59.4	0	0	0	107.8	R452	R452-H478 PolarHBondContact N-O 3.38Å; R452-H478 PolarHBondContact O-N 2.79Å
479	D	96.3	Very high	94.6	Very high	13 Å²	13	56.5 Å²	56.5	7%	0.07	32%	0.315	C	S	.	.			trans	-120.6	132.1	171.7	-159	-68.9	0	0	0	107.9	P451 D481 V488	P451-D479 VanDerWaalsContact CA-OD2 3.24Å; P451-D479 WeakPolarHBondContact CA-OD2 3.33Å; P451-D479 WeakPolarHBondContact CD-OD2 3.33Å; P451-D479 WeakPolarHBondContact CG-OD2 3.24Å; D479-D481 WeakPolarHBondContact OD1-CB 3.33Å; D479-D481 PolarHBondContact OD1-N 3.14Å; D479-D481 VanDerWaalsContact OD1-N 3.14Å; D479-V488 HydrophobicContact CB-CG2 3.64Å
480	P	95	Very high	94.8	Very high	52 Å²	52	54.7 Å²	54.7	34%	0.338	29%	0.292	S	S	.	.			trans	-84.6	-13.3	-175.9	37.3	-37.9	0	0	0	113.9	R413 E414 N449	R413-P480 PolarHBondContact NH2-O 3.13Å; E414-P480 HydrophobicContact CG-CB 3.78Å; E414-P480 HydrophobicContact CG-CG 4.02Å; N449-P480 HydrophobicContact CB-CG 3.54Å; N449-P480 VanDerWaalsContact CG-CG 3.41Å
481	D	96.3	Very high	94.9	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.053	29%	0.294	C	S	.	.	S	Bend	trans	-69.8	169.3	-175.4	-60.4	3	0	0	0	111.2	N447 D448 N449 D479 N485 G486	N447-D481 WeakPolarHBondContact CA-OD2 3.13Å; D448-D481 PolarHBondContact N-OD2 3.14Å; D448-D481 VanDerWaalsContact N-OD2 3.14Å; N449-D481 VanDerWaalsContact CB-OD1 3.23Å; N449-D481 WeakPolarHBondContact CB-OD1 3.19Å; N449-D481 PolarHBondContact N-OD2 2.83Å; N449-D481 PolarHBondContact ND2-OD1 3.43Å; D479-D481 WeakPolarHBondContact OD1-CB 3.33Å; D479-D481 PolarHBondContact OD1-N 3.14Å; D479-D481 VanDerWaalsContact OD1-N 3.14Å; D481-N485 HydrophobicContact CB-CB 3.57Å; D481-G486 WeakPolarHBondContact O-CA 3.13Å; D481-G486 PolarHBondContact O-N 3.45Å
482	L	93.6	Very high	94.9	Very high	109 Å²	109	48.7 Å²	48.7	57%	0.571	28%	0.275	S	S	*	.			trans	-102.1	137	-168	-166.2	63.9	0	0	0	113.5	D445 Q484 N485	D445-L482 HydrophobicContact CB-CB 3.9Å; D445-L482 VanDerWaalsContact CG-CB 3.43Å; D445-L482 WeakPolarHBondContact OD1-CB 3.01Å; D445-L482 PolarHBondContact OD1-N 3.47Å; D445-L482 PolarHBondContact OD2-N 2.9Å; D445-L482 VanDerWaalsContact OD2-N 3.13Å; L482-Q484 PolarHBondContact O-N 2.91Å; L482-Q484 VanDerWaalsContact O-N 3.16Å; L482-N485 PolarHBondContact O-N 2.55Å
483	G	92.8	Very high	94.8	Very high	50 Å²	50	51.1 Å²	51.1	52%	0.515	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-114.8	170.8	0	0	0	0	0	112.3	T487	G483-T487 WeakPolarHBondContact O-CB 3.18Å; G483-T487 PolarHBondContact O-N 3.06Å; G483-T487 PolarHBondContact O-OG1 2.71Å
484	Q	92.7	Very high	94.4	Very high	143 Å²	143	56.4 Å²	56.4	67%	0.668	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-36	-178.2	-71.4	-174.5	5.5	0	0	112	L482 T487 A538	L482-Q484 PolarHBondContact O-N 2.91Å; L482-Q484 VanDerWaalsContact O-N 3.16Å; Q484-T487 WeakPolarHBondContact O-CB 3.43Å; Q484-T487 PolarHBondContact O-N 3.3Å; Q484-A538 HydrophobicContact CB-CB 4.15Å; Q484-A538 WeakPolarHBondContact O-CA 3.38Å; Q484-A538 VanDerWaalsContact O-CB 3.23Å; Q484-A538 WeakPolarHBondContact O-CB 3.25Å; Q484-A538 PolarHBondContact O-N 2.74Å
485	N	93.6	Very high	94	Very high	30 Å²	30	55.6 Å²	55.6	16%	0.16	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-50.1	178.2	-60	-8.6	0	0	0	109.8	D445 N447 D481 L482 T487 D537	D445-N485 WeakPolarHBondContact OD2-CB 3.16Å; D445-N485 PolarHBondContact OD2-ND2 2.86Å; N447-N485 HydrophobicContact CB-CB 4.1Å; N447-N485 PolarHBondContact N-ND2 2.83Å; N447-N485 WeakPolarHBondContact OD1-CA 3.23Å; N447-N485 WeakPolarHBondContact OD1-CB 3.47Å; N447-N485 PolarHBondContact OD1-OD1 2.94Å; D481-N485 HydrophobicContact CB-CB 3.57Å; L482-N485 PolarHBondContact O-N 2.55Å; N485-T487 PolarHBondContact O-N 3.26Å; N485-D537 WeakPolarHBondContact O-CB 2.98Å
486	G	93.4	Very high	93.5	Very high	21 Å²	21	62.2 Å²	62.2	22%	0.216	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-2.5	172	0	0	0	0	0	117	D481 V488	D481-G486 WeakPolarHBondContact O-CA 3.13Å; D481-G486 PolarHBondContact O-N 3.45Å; G486-V488 PolarHBondContact O-N 3.07Å
487	T	94.6	Very high	92.7	Very high	55 Å²	55	58 Å²	58	34%	0.337	32%	0.322	S	S	.	.			trans	-87.7	95.4	-175.1	-68.3	0	0	0	0	111.6	G483 Q484 N485 Y489 D537 A538	G483-T487 WeakPolarHBondContact O-CB 3.18Å; G483-T487 PolarHBondContact O-N 3.06Å; G483-T487 PolarHBondContact O-OG1 2.71Å; Q484-T487 WeakPolarHBondContact O-CB 3.43Å; Q484-T487 PolarHBondContact O-N 3.3Å; N485-T487 PolarHBondContact O-N 3.26Å; T487-Y489 HydrophobicContact CG2-CE2 3.84Å; T487-D537 CarbonylContact O-C 3.57Å; T487-D537 WeakPolarHBondContact O-CA 3.29Å; T487-A538 HydrophobicContact CG2-CB 4.48Å; T487-A538 PolarHBondContact O-N 3.39Å; T487-A538 VanDerWaalsContact O-N 3.12Å
488	V	95.3	Very high	91.5	Very high	21 Å²	21	61.7 Å²	61.7	13%	0.127	35%	0.347	C	S	.	.			trans	-80.2	126	-178.6	-172.7	0	0	0	0	113.4	P451 A477 D479 G486 Y490 A535	P451-V488 HydrophobicContact CB-CG1 3.92Å; P451-V488 HydrophobicContact CB-CG2 3.86Å; P451-V488 HydrophobicContact CG-CG2 4.23Å; A477-V488 HydrophobicContact CB-CG1 4.2Å; D479-V488 HydrophobicContact CB-CG2 3.64Å; G486-V488 PolarHBondContact O-N 3.07Å; V488-Y490 HydrophobicContact CG1-CE1 4.25Å; V488-Y490 HydrophobicContact CG1-CE2 4.13Å; V488-A535 HydrophobicContact CG1-CB 3.75Å
489	Y	95.8	Very high	90.2	Very high	121 Å²	121	59.2 Å²	59.2	48%	0.475	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.1	165.7	-65.6	-73.7	0	0	0	112.6	T487 A510 A535 K536 A538	T487-Y489 HydrophobicContact CG2-CE2 3.84Å; Y489-A510 CarbonylContact C-O 3.51Å; Y489-A510 VanDerWaalsContact CA-O 3.25Å; Y489-A510 WeakPolarHBondContact CA-O 3.05Å; Y489-A535 WeakPolarHBondContact O-CA 3.42Å; Y489-K536 PolarHBondContact N-O 2.62Å; Y489-K536 PolarHBondContact O-N 3.16Å; Y489-A538 HydrophobicContact CD2-CB 4.44Å; Y489-A538 HydrophobicContact CE2-CB 3.89Å
490	Y	96.7	Very high	89.3	Confident	14 Å²	14	59.7 Å²	59.7	6%	0.055	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.1	-178.4	-58.1	-90.6	0	0	0	112.4	F453 V475 A477 V488 A510 V533 L534 A535	F453-Y490 HydrophobicContact CE1-CD1 4.08Å; F453-Y490 AromaticContact CE1-CE1 3.87Å; F453-Y490 HydrophobicContact CE1-CE1 3.87Å; F453-Y490 HydrophobicContact CZ-CD1 4.34Å; F453-Y490 HydrophobicContact CZ-CE1 4.42Å; V475-Y490 HydrophobicContact CG2-CD1 3.78Å; V475-Y490 HydrophobicContact CG2-CE1 4.01Å; A477-Y490 HydrophobicContact CB-CE1 4.02Å; A477-Y490 PolarHBondContact N-OH 3.05Å; A477-Y490 PolarHBondContact O-OH 3.19Å; V488-Y490 HydrophobicContact CG1-CE1 4.25Å; V488-Y490 HydrophobicContact CG1-CE2 4.13Å; Y490-A510 PolarHBondContact N-O 3.23Å; Y490-A510 VanDerWaalsContact O-CA 3.29Å; Y490-A510 WeakPolarHBondContact O-CA 3.23Å; Y490-A510 WeakPolarHBondContact O-CB 3.46Å; Y490-V533 HydrophobicContact CD1-CG1 4.32Å; Y490-L534 WeakPolarHBondContact CA-O 3.43Å; Y490-A535 HydrophobicContact CD1-CB 4.26Å; Y490-A535 HydrophobicContact CE1-CB 4.16Å
491	S	95.9	Very high	88.9	Confident	54 Å²	54	59.7 Å²	59.7	38%	0.378	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.4	172.6	66.4	0	0	0	0	112.2	V533 L534	S491-V533 CarbonylContact O-C 3.53Å; S491-V533 WeakPolarHBondContact O-CA 3.07Å; S491-V533 WeakPolarHBondContact O-CG1 3.24Å; S491-L534 PolarHBondContact N-O 2.81Å; S491-L534 PolarHBondContact O-N 2.88Å
492	I	95.1	Very high	88.6	Confident	15 Å²	15	59.2 Å²	59.2	8%	0.077	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.1	172.8	-69.8	163.8	0	0	0	108.5	N494 V502 V506 V508 F531	I492-N494 PolarHBondContact O-N 2.93Å; I492-V502 HydrophobicContact CD1-CG1 4.47Å; I492-V502 HydrophobicContact CG2-CB 4.29Å; I492-V502 HydrophobicContact CG2-CG1 3.69Å; I492-V506 HydrophobicContact CD1-CG2 4.15Å; I492-V506 WeakPolarHBondContact CD1-O 3.25Å; I492-V508 HydrophobicContact CD1-CB 4.45Å; I492-V508 HydrophobicContact CD1-CG1 4.38Å; I492-V508 HydrophobicContact CG1-CB 4.27Å; I492-V508 HydrophobicContact CG1-CG1 3.88Å; I492-F531 HydrophobicContact CD1-CE2 4.5Å; I492-F531 HydrophobicContact CG1-CD2 4.27Å; I492-F531 HydrophobicContact CG1-CE2 4.25Å; I492-F531 HydrophobicContact CG2-CD2 4.42Å
493	I	93.1	Very high	88.4	Confident	63 Å²	63	56.7 Å²	56.7	32%	0.323	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.4	169.2	-55.1	-177	0	0	0	107.6	S495 K532 L534 N546	I493-S495 PolarHBondContact O-N 2.88Å; I493-S495 VanDerWaalsContact O-N 3.12Å; I493-S495 PolarHBondContact O-OG 2.9Å; I493-K532 HydrophobicContact CB-CB 4.12Å; I493-K532 HydrophobicContact CD1-CB 3.88Å; I493-K532 HydrophobicContact CD1-CD 4.42Å; I493-K532 HydrophobicContact CG1-CB 4.16Å; I493-K532 PolarHBondContact N-O 2.86Å; I493-L534 HydrophobicContact CD1-CB 4.29Å; I493-L534 HydrophobicContact CD1-CD1 3.95Å; I493-L534 HydrophobicContact CG1-CB 3.96Å; I493-L534 HydrophobicContact CG1-CD1 4.39Å; I493-N546 HydrophobicContact CD1-CB 3.84Å
494	N	86.8	Confident	88.3	Confident	121 Å²	121	57.3 Å²	57.3	65%	0.647	34%	0.34	S	S	*	.			trans	-47	119.6	179.3	-71.8	5.7	0	0	0	111.1	I492 N503	I492-N494 PolarHBondContact O-N 2.93Å; N494-N503 PolarHBondContact OD1-ND2 2.86Å
495	S	86.1	Confident	88.2	Confident	37 Å²	37	51.6 Å²	51.6	26%	0.259	31%	0.313	S	S	.	.			trans	-152.8	151	-174.2	38.2	0	0	0	0	109.5	I493 V502	I493-S495 PolarHBondContact O-N 2.88Å; I493-S495 VanDerWaalsContact O-N 3.12Å; I493-S495 PolarHBondContact O-OG 2.9Å; S495-V502 VanDerWaalsContact O-CG2 3.29Å; S495-V502 WeakPolarHBondContact O-CG2 3.47Å; S495-V502 PolarHBondContact O-N 2.87Å
496	N	84.8	Confident	88.2	Confident	141 Å²	141	50.2 Å²	50.2	75%	0.754	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.9	-175.5	-68.6	-3.9	0	0	0	110.4	G500	N496-G500 CarbonylContact C-O 3.47Å; N496-G500 VanDerWaalsContact CA-O 3.3Å; N496-G500 WeakPolarHBondContact CA-O 3.4Å
497	V	79.1	Confident	88.3	Confident	13 Å²	13	53.6 Å²	53.6	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.1	175.7	156.8	0	0	0	0	109	G499 G500 V502 Y505 I526 F529	V497-G499 PolarHBondContact O-N 2.9Å; V497-G500 PolarHBondContact N-O 3.18Å; V497-G500 PolarHBondContact O-N 2.96Å; V497-G500 VanDerWaalsContact O-O 3.06Å; V497-V502 HydrophobicContact CB-CG2 3.86Å; V497-V502 HydrophobicContact CG2-CG2 3.42Å; V497-V502 VanDerWaalsContact CG2-CG2 3.42Å; V497-Y505 HydrophobicContact CG1-CE2 4.47Å; V497-I526 HydrophobicContact CG1-CD1 3.66Å; V497-F529 HydrophobicContact CB-CB 4.39Å; V497-F529 HydrophobicContact CG1-CB 3.43Å; V497-F529 VanDerWaalsContact CG1-CB 3.43Å; V497-F529 HydrophobicContact CG1-CD2 3.91Å; V497-F529 HydrophobicContact CG1-CG 3.74Å; V497-F529 HydrophobicContact CG2-CB 4Å; V497-F529 HydrophobicContact CG2-CD2 4.24Å
498	S	69.4	Low	88.4	Confident	82 Å²	82	51.6 Å²	51.6	57%	0.573	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	21.3	179.9	60.9	0	0	0	0	116	Y505	S498-Y505 PolarHBondContact OG-OH 2.81Å
499	G	68.5	Low	88.4	Confident	79 Å²	79	53.5 Å²	53.5	81%	0.814	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-0.2	-177.8	0	0	0	0	0	115.7	V497	V497-G499 PolarHBondContact O-N 2.9Å
500	G	76.8	Confident	88.3	Confident	23 Å²	23	50 Å²	50	24%	0.237	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	170.3	171.2	0	0	0	0	0	112.7	N496 V497	N496-G500 CarbonylContact C-O 3.47Å; N496-G500 VanDerWaalsContact CA-O 3.3Å; N496-G500 WeakPolarHBondContact CA-O 3.4Å; V497-G500 PolarHBondContact N-O 3.18Å; V497-G500 PolarHBondContact O-N 2.96Å; V497-G500 VanDerWaalsContact O-O 3.06Å
501	D	87.1	Confident	88.2	Confident	52 Å²	52	53 Å²	53	28%	0.278	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.8	174.2	176.7	14.8	0	0	0	110.9	N503 T504	D501-N503 VanDerWaalsContact CG-ND2 3.34Å; D501-N503 PolarHBondContact O-N 3.25Å; D501-N503 PolarHBondContact OD1-N 3.35Å; D501-N503 PolarHBondContact OD1-ND2 3.39Å; D501-N503 WeakPolarHBondContact OD2-CB 3.12Å; D501-N503 PolarHBondContact OD2-ND2 3.1Å; D501-T504 HydrophobicContact CB-CG2 4.37Å; D501-T504 WeakPolarHBondContact O-CB 3.43Å; D501-T504 PolarHBondContact O-N 2.91Å; D501-T504 PolarHBondContact O-OG1 3.13Å
502	V	90.5	Very high	88.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-50.2	-36.7	174.9	167.3	0	0	0	0	112.7	I492 S495 V497 T504 Y505 V506 F531	I492-V502 HydrophobicContact CD1-CG1 4.47Å; I492-V502 HydrophobicContact CG2-CB 4.29Å; I492-V502 HydrophobicContact CG2-CG1 3.69Å; S495-V502 VanDerWaalsContact O-CG2 3.29Å; S495-V502 WeakPolarHBondContact O-CG2 3.47Å; S495-V502 PolarHBondContact O-N 2.87Å; V497-V502 HydrophobicContact CB-CG2 3.86Å; V497-V502 HydrophobicContact CG2-CG2 3.42Å; V497-V502 VanDerWaalsContact CG2-CG2 3.42Å; V502-T504 PolarHBondContact O-N 2.72Å; V502-Y505 PolarHBondContact O-N 3.2Å; V502-V506 HydrophobicContact CG1-CG2 3.59Å; V502-V506 PolarHBondContact O-N 3.48Å; V502-F531 HydrophobicContact CB-CB 4.31Å; V502-F531 HydrophobicContact CG1-CB 3.58Å; V502-F531 HydrophobicContact CG1-CD1 4.36Å; V502-F531 HydrophobicContact CG1-CD2 3.98Å; V502-F531 HydrophobicContact CG1-CG 3.74Å; V502-F531 HydrophobicContact CG2-CB 3.77Å
503	N	88.9	Confident	88.1	Confident	56 Å²	56	53.9 Å²	53.9	30%	0.299	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.2	-16.9	178.7	-60.7	-58.7	0	0	0	113.3	N494 D501	N494-N503 PolarHBondContact OD1-ND2 2.86Å; D501-N503 VanDerWaalsContact CG-ND2 3.34Å; D501-N503 PolarHBondContact O-N 3.25Å; D501-N503 PolarHBondContact OD1-N 3.35Å; D501-N503 PolarHBondContact OD1-ND2 3.39Å; D501-N503 WeakPolarHBondContact OD2-CB 3.12Å; D501-N503 PolarHBondContact OD2-ND2 3.1Å
504	T	90	Very high	88.2	Confident	62 Å²	62	51.1 Å²	51.1	38%	0.38	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-89.8	-4	175.2	72.8	0	0	0	0	113.6	D501 V502 R519	D501-T504 HydrophobicContact CB-CG2 4.37Å; D501-T504 WeakPolarHBondContact O-CB 3.43Å; D501-T504 PolarHBondContact O-N 2.91Å; D501-T504 PolarHBondContact O-OG1 3.13Å; V502-T504 PolarHBondContact O-N 2.72Å; T504-R519 VanDerWaalsContact O-CZ 3.3Å; T504-R519 PolarHBondContact O-NE 2.99Å; T504-R519 PolarHBondContact O-NH2 3.13Å; T504-R519 PolarHBondContact OG1-NH2 2.87Å
505	Y	90.7	Very high	88.7	Confident	24 Å²	24	45.4 Å²	45.4	9%	0.094	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-42.3	175.8	-72.1	-93.7	0	0	0	111.8	V497 S498 V502 V518 R519 F521 I526	V497-Y505 HydrophobicContact CG1-CE2 4.47Å; S498-Y505 PolarHBondContact OG-OH 2.81Å; V502-Y505 PolarHBondContact O-N 3.2Å; Y505-V518 PolarHBondContact O-N 2.61Å; Y505-R519 HydrophobicContact CD1-CG 4.39Å; Y505-R519 VanDerWaalsContact CE1-NH1 3.29Å; Y505-R519 PolarHBondContact OH-NH1 2.98Å; Y505-F521 HydrophobicContact CD1-CD1 4.36Å; Y505-F521 HydrophobicContact CD1-CE1 4.2Å; Y505-I526 HydrophobicContact CD1-CD1 4.5Å; Y505-I526 HydrophobicContact CE1-CD1 4Å
506	V	94.1	Very high	89.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155	-174.8	-69.5	0	0	0	0	111.7	L472 I492 V502 I515 Y516 F521 F529 F531 I551	L472-V506 HydrophobicContact CD1-CG1 3.78Å; I492-V506 HydrophobicContact CD1-CG2 4.15Å; I492-V506 WeakPolarHBondContact CD1-O 3.25Å; V502-V506 HydrophobicContact CG1-CG2 3.59Å; V502-V506 PolarHBondContact O-N 3.48Å; V506-I515 HydrophobicContact CB-CG2 4.31Å; V506-I515 HydrophobicContact CG1-CG2 4.44Å; V506-Y516 CarbonylContact C-O 3.59Å; V506-Y516 VanDerWaalsContact CA-O 3.29Å; V506-Y516 WeakPolarHBondContact CA-O 3.16Å; V506-F521 HydrophobicContact CG1-CZ 3.98Å; V506-F529 HydrophobicContact CG1-CE2 4.36Å; V506-F529 HydrophobicContact CG1-CZ 4.3Å; V506-F531 HydrophobicContact CB-CZ 4.48Å; V506-F531 HydrophobicContact CG2-CD1 4.27Å; V506-F531 HydrophobicContact CG2-CD2 4.38Å; V506-F531 HydrophobicContact CG2-CE1 3.91Å; V506-F531 HydrophobicContact CG2-CE2 4.01Å; V506-F531 HydrophobicContact CG2-CG 4.5Å; V506-F531 HydrophobicContact CG2-CZ 3.76Å; V506-I551 HydrophobicContact CG1-CD1 3.74Å
507	N	94.8	Very high	89.6	Confident	93 Å²	93	41 Å²	41	50%	0.497	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.3	173.9	-171.4	9	0	0	0	109.6	I515 Y516 V518	N507-I515 WeakPolarHBondContact O-CA 3.38Å; N507-Y516 PolarHBondContact N-O 2.86Å; N507-Y516 PolarHBondContact O-N 2.83Å; N507-V518 HydrophobicContact CB-CG2 3.9Å
508	V	96.4	Very high	90.3	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.073	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.5	175.6	72.1	0	0	0	0	110.7	I492 A510 A514 I515 V533	I492-V508 HydrophobicContact CD1-CB 4.45Å; I492-V508 HydrophobicContact CD1-CG1 4.38Å; I492-V508 HydrophobicContact CG1-CB 4.27Å; I492-V508 HydrophobicContact CG1-CG1 3.88Å; V508-A510 PolarHBondContact O-N 2.87Å; V508-A514 CarbonylContact C-O 3.59Å; V508-A514 WeakPolarHBondContact CA-O 3.29Å; V508-I515 HydrophobicContact CB-CG1 4.49Å; V508-I515 HydrophobicContact CG2-CG1 4.04Å; V508-V533 HydrophobicContact CG2-CG1 4.36Å
509	N	95.9	Very high	91.4	Very high	61 Å²	61	43.9 Å²	43.9	33%	0.326	27%	0.269	S	S	.	.			trans	-74.1	116.4	172.7	-179.3	-49.7	0	0	0	109.6	A511 N512 G513 A514 Y516	N509-A511 PolarHBondContact O-N 2.74Å; N509-A511 VanDerWaalsContact O-N 3.12Å; N509-A511 PolarHBondContact OD1-N 3.12Å; N509-N512 VanDerWaalsContact CB-OD1 3.25Å; N509-N512 WeakPolarHBondContact CB-OD1 3.17Å; N509-N512 PolarHBondContact O-N 3.2Å; N509-N512 PolarHBondContact OD1-N 3.36Å; N509-N512 PolarHBondContact OD1-OD1 3.43Å; N509-G513 PolarHBondContact O-N 3.38Å; N509-A514 HydrophobicContact CB-CB 4.23Å; N509-A514 PolarHBondContact N-O 2.89Å; N509-Y516 HydrophobicContact CB-CE2 4.26Å
510	A	94.9	Very high	92.5	Very high	47 Å²	47	42.9 Å²	42.9	39%	0.388	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	-173.1	0	0	0	0	0	115.1	Y489 Y490 V508	Y489-A510 CarbonylContact C-O 3.51Å; Y489-A510 VanDerWaalsContact CA-O 3.25Å; Y489-A510 WeakPolarHBondContact CA-O 3.05Å; Y490-A510 PolarHBondContact N-O 3.23Å; Y490-A510 VanDerWaalsContact O-CA 3.29Å; Y490-A510 WeakPolarHBondContact O-CA 3.23Å; Y490-A510 WeakPolarHBondContact O-CB 3.46Å; V508-A510 PolarHBondContact O-N 2.87Å
511	A	93.3	Very high	93.3	Very high	77 Å²	77	42 Å²	42	64%	0.636	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-15.2	-176.3	0	0	0	0	0	114.5	N509	N509-A511 PolarHBondContact O-N 2.74Å; N509-A511 VanDerWaalsContact O-N 3.12Å; N509-A511 PolarHBondContact OD1-N 3.12Å
512	N	93.8	Very high	93.5	Very high	88 Å²	88	41 Å²	41	47%	0.471	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.3	5.9	-175.5	71.4	12.8	0	0	0	115.5	N509 A514	N509-N512 VanDerWaalsContact CB-OD1 3.25Å; N509-N512 WeakPolarHBondContact CB-OD1 3.17Å; N509-N512 PolarHBondContact O-N 3.2Å; N509-N512 PolarHBondContact OD1-N 3.36Å; N509-N512 PolarHBondContact OD1-OD1 3.43Å; N512-A514 PolarHBondContact O-N 2.96Å; N512-A514 VanDerWaalsContact O-N 3.13Å; N512-A514 WeakPolarHBondContact OD1-CB 3.26Å; N512-A514 PolarHBondContact OD1-N 3.12Å; N512-A514 VanDerWaalsContact OD1-N 3.1Å
513	G	94.4	Very high	93.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.238	C	C	.	.			trans	68.1	9.8	175.3	0	0	0	0	0	115	S474 V475 N509	S474-G513 VanDerWaalsContact CA-O 3.25Å; S474-G513 WeakPolarHBondContact CA-O 3.25Å; S474-G513 WeakPolarHBondContact CB-O 3.48Å; V475-G513 PolarHBondContact N-O 3.02Å; N509-G513 PolarHBondContact O-N 3.38Å
514	A	96.6	Very high	93.7	Very high	6 Å²	6	42.1 Å²	42.1	5%	0.05	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.8	176.2	0	0	0	0	0	111.5	Y471 V508 N509 N512 Y516	Y471-A514 HydrophobicContact CD2-CB 4.17Å; Y471-A514 HydrophobicContact CE2-CB 3.8Å; V508-A514 CarbonylContact C-O 3.59Å; V508-A514 WeakPolarHBondContact CA-O 3.29Å; N509-A514 HydrophobicContact CB-CB 4.23Å; N509-A514 PolarHBondContact N-O 2.89Å; N512-A514 PolarHBondContact O-N 2.96Å; N512-A514 VanDerWaalsContact O-N 3.13Å; N512-A514 WeakPolarHBondContact OD1-CB 3.26Å; N512-A514 PolarHBondContact OD1-N 3.12Å; N512-A514 VanDerWaalsContact OD1-N 3.1Å; A514-Y516 HydrophobicContact CB-CE2 3.59Å
515	I	96.6	Very high	93.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.1	-176.2	-61.4	169.5	0	0	0	108.8	L460 L472 G473 V475 V506 N507 V508 F531 V533 V549	L460-I515 HydrophobicContact CD1-CD1 4.44Å; L472-I515 HydrophobicContact CB-CG2 4.34Å; L472-I515 HydrophobicContact CD1-CG2 4.38Å; L472-I515 PolarHBondContact N-O 2.71Å; G473-I515 PolarHBondContact O-N 3.38Å; V475-I515 HydrophobicContact CG1-CD1 4.08Å; V506-I515 HydrophobicContact CB-CG2 4.31Å; V506-I515 HydrophobicContact CG1-CG2 4.44Å; N507-I515 WeakPolarHBondContact O-CA 3.38Å; V508-I515 HydrophobicContact CB-CG1 4.49Å; V508-I515 HydrophobicContact CG2-CG1 4.04Å; I515-F531 HydrophobicContact CD1-CZ 4.17Å; I515-F531 HydrophobicContact CG2-CZ 4.18Å; I515-V533 HydrophobicContact CD1-CG2 4.49Å; I515-V549 HydrophobicContact CD1-CG1 4.06Å; I515-V549 HydrophobicContact CD1-CG2 3.88Å
516	Y	95.9	Very high	93.5	Very high	83 Å²	83	46.5 Å²	46.5	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145	-178.6	-60.7	-91.7	0	0	0	111	E470 Y471 V506 N507 N509 A514	E470-Y516 CarbonylContact O-C 3.57Å; E470-Y516 VanDerWaalsContact O-CA 3.24Å; E470-Y516 WeakPolarHBondContact O-CA 3.38Å; Y471-Y516 HydrophobicContact CD2-CE1 4.07Å; Y471-Y516 HydrophobicContact CG-CE1 4.46Å; V506-Y516 CarbonylContact C-O 3.59Å; V506-Y516 VanDerWaalsContact CA-O 3.29Å; V506-Y516 WeakPolarHBondContact CA-O 3.16Å; N507-Y516 PolarHBondContact N-O 2.86Å; N507-Y516 PolarHBondContact O-N 2.83Å; N509-Y516 HydrophobicContact CB-CE2 4.26Å; A514-Y516 HydrophobicContact CB-CE2 3.59Å
517	A	95.1	Very high	93.4	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.3	170.2	0	0	0	0	0	111.1	N466 G469 E470 L472 F521	N466-A517 VanDerWaalsContact ND2-CB 3.28Å; N466-A517 WeakPolarHBondContact ND2-CB 3.11Å; G469-A517 VanDerWaalsContact CA-O 3.31Å; G469-A517 WeakPolarHBondContact CA-O 3.42Å; G469-A517 PolarHBondContact N-O 3.01Å; E470-A517 PolarHBondContact O-N 2.97Å; L472-A517 HydrophobicContact CD1-CB 4.09Å; L472-A517 HydrophobicContact CD2-CB 4.08Å; L472-A517 HydrophobicContact CG-CB 4.22Å; A517-F521 HydrophobicContact CB-CZ 4.34Å
518	V	93.6	Very high	93.2	Very high	69 Å²	69	53.4 Å²	53.4	42%	0.418	28%	0.276	S	S	.	.	S	Bend	trans	-93.6	-20.2	171.7	176.7	0	0	0	0	111.1	Y505 N507	Y505-V518 PolarHBondContact O-N 2.61Å; N507-V518 HydrophobicContact CB-CG2 3.9Å
519	R	91.1	Very high	93.1	Very high	85 Å²	85	53.2 Å²	53.2	32%	0.321	27%	0.274	S	S	.	.	S	Bend	trans	-143	171.2	179.1	64.9	172.3	79.3	172.4	10.7	111.2	N466 T504 Y505 F521	N466-R519 PolarHBondContact ND2-O 3.47Å; T504-R519 VanDerWaalsContact O-CZ 3.3Å; T504-R519 PolarHBondContact O-NE 2.99Å; T504-R519 PolarHBondContact O-NH2 3.13Å; T504-R519 PolarHBondContact OG1-NH2 2.87Å; Y505-R519 HydrophobicContact CD1-CG 4.39Å; Y505-R519 VanDerWaalsContact CE1-NH1 3.29Å; Y505-R519 PolarHBondContact OH-NH1 2.98Å; R519-F521 HydrophobicContact CG-CD1 4.33Å; R519-F521 HydrophobicContact CG-CE1 4.28Å
520	S	92.8	Very high	92.9	Very high	59 Å²	59	53.5 Å²	53.5	41%	0.413	28%	0.276	S	S	.	.			trans	-70.4	141.1	158	49.1	0	0	0	0	110.5	N466	N466-S520 WeakPolarHBondContact O-CA 3.37Å; N466-S520 WeakPolarHBondContact O-CB 3.26Å
521	F	92.8	Very high	92.9	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	26%	0.258	C	S	.	.			trans	-89.4	155.4	166.2	-50.8	-45.2	0	0	0	109.9	I462 E464 N465 N466 L472 Y505 V506 A517 R519 F529 I551 V553	I462-F521 HydrophobicContact CG2-CD2 4.09Å; I462-F521 HydrophobicContact CG2-CE2 4.17Å; E464-F521 WeakPolarHBondContact CB-O 3.16Å; N465-F521 PolarHBondContact N-O 3.14Å; N466-F521 WeakPolarHBondContact OD1-CD2 3.49Å; N466-F521 WeakPolarHBondContact OD1-CG 3.37Å; N466-F521 PolarHBondContact OD1-N 3.45Å; L472-F521 HydrophobicContact CD1-CE2 3.83Å; L472-F521 HydrophobicContact CD1-CZ 3.9Å; L472-F521 HydrophobicContact CD2-CE2 4.42Å; Y505-F521 HydrophobicContact CD1-CD1 4.36Å; Y505-F521 HydrophobicContact CD1-CE1 4.2Å; V506-F521 HydrophobicContact CG1-CZ 3.98Å; A517-F521 HydrophobicContact CB-CZ 4.34Å; R519-F521 HydrophobicContact CG-CD1 4.33Å; R519-F521 HydrophobicContact CG-CE1 4.28Å; F521-F529 HydrophobicContact CD1-CE1 4.26Å; F521-F529 HydrophobicContact CD1-CZ 4.44Å; F521-F529 HydrophobicContact CE1-CE1 4.07Å; F521-F529 AromaticContact CE1-CZ 3.8Å; F521-F529 HydrophobicContact CE1-CZ 3.8Å; F521-F529 HydrophobicContact CE2-CZ 4.5Å; F521-F529 HydrophobicContact CZ-CE1 4.28Å; F521-F529 AromaticContact CZ-CZ 3.83Å; F521-F529 HydrophobicContact CZ-CZ 3.83Å; F521-I551 HydrophobicContact CE2-CG2 4.35Å; F521-I551 HydrophobicContact CZ-CD1 4.42Å; F521-V553 HydrophobicContact CB-CG1 4.31Å; F521-V553 HydrophobicContact CB-CG2 3.9Å; F521-V553 HydrophobicContact CD2-CG2 4.34Å; F521-V553 HydrophobicContact CG-CG2 4.25Å
522	N	91.7	Very high	92.9	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	25%	0.247	C	C	.	.			trans	-136.8	132.9	174.1	163.4	-107.9	0	0	0	107.9	E464 E524 Q525 I526	E464-N522 WeakPolarHBondContact OE2-CA 3.36Å; E464-N522 PolarHBondContact OE2-ND2 2.86Å; N522-E524 PolarHBondContact ND2-OE2 3.23Å; N522-Q525 WeakPolarHBondContact OD1-CB 3.22Å; N522-Q525 VanDerWaalsContact OD1-CG 3.25Å; N522-Q525 WeakPolarHBondContact OD1-CG 3.45Å; N522-Q525 PolarHBondContact OD1-N 2.87Å; N522-Q525 PolarHBondContact OD1-NE2 3.07Å; N522-I526 WeakPolarHBondContact O-CG2 3.46Å; N522-I526 PolarHBondContact O-N 2.91Å
523	Y	92	Very high	93.1	Very high	22 Å²	22	48 Å²	48	9%	0.086	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-30.5	-168	-177.4	-102.7	0	0	0	112.3	E464 Q525 K527 V553 D555 Y597	E464-Y523 VanDerWaalsContact CD-CB 3.47Å; E464-Y523 WeakPolarHBondContact OE1-CB 3.39Å; E464-Y523 WeakPolarHBondContact OE2-CB 3.42Å; E464-Y523 PolarHBondContact OE2-N 2.73Å; Y523-Q525 VanDerWaalsContact C-N 3.27Å; Y523-Q525 PolarHBondContact O-N 2.87Å; Y523-K527 HydrophobicContact CD1-CD 4.48Å; Y523-K527 HydrophobicContact CD1-CG 4.23Å; Y523-K527 HydrophobicContact CD2-CB 4.11Å; Y523-K527 HydrophobicContact CD2-CG 3.91Å; Y523-K527 HydrophobicContact CE1-CD 3.86Å; Y523-K527 HydrophobicContact CE1-CG 3.97Å; Y523-K527 HydrophobicContact CE2-CB 3.72Å; Y523-K527 HydrophobicContact CE2-CD 4.19Å; Y523-K527 HydrophobicContact CE2-CG 3.66Å; Y523-K527 HydrophobicContact CG-CG 4.16Å; Y523-K527 WeakPolarHBondContact O-CG 3.39Å; Y523-K527 PolarHBondContact O-N 3.18Å; Y523-K527 PolarHBondContact O-NZ 2.82Å; Y523-V553 HydrophobicContact CD2-CB 4.1Å; Y523-V553 HydrophobicContact CD2-CG1 4.05Å; Y523-V553 WeakPolarHBondContact CE2-O 3.47Å; Y523-D555 HydrophobicContact CD1-CB 3.92Å; Y523-D555 HydrophobicContact CD2-CB 4.39Å; Y523-D555 HydrophobicContact CE1-CB 4.01Å; Y523-D555 HydrophobicContact CE2-CB 4.46Å; Y523-D555 HydrophobicContact CG-CB 4.15Å; Y523-Y597 VanDerWaalsContact CE1-CB 3.46Å; Y523-Y597 HydrophobicContact CE1-CD1 4.26Å; Y523-Y597 AromaticContact CE1-CG 3.91Å; Y523-Y597 HydrophobicContact CE1-CG 3.91Å; Y523-Y597 WeakPolarHBondContact OH-CD1 3.19Å
524	E	90.4	Very high	93.1	Very high	56 Å²	56	49 Å²	49	26%	0.262	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.4	-179.6	-68.2	55.9	-96.3	0	0	109.6	N522 N595	N522-E524 PolarHBondContact ND2-OE2 3.23Å; E524-N595 HydrophobicContact CG-CB 3.81Å
525	Q	89.2	Confident	93.1	Very high	163 Å²	163	48.7 Å²	48.7	76%	0.762	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-44.6	175.6	-70.9	170	59.2	0	0	113.3	N522 Y523	N522-Q525 WeakPolarHBondContact OD1-CB 3.22Å; N522-Q525 VanDerWaalsContact OD1-CG 3.25Å; N522-Q525 WeakPolarHBondContact OD1-CG 3.45Å; N522-Q525 PolarHBondContact OD1-N 2.87Å; N522-Q525 PolarHBondContact OD1-NE2 3.07Å; Y523-Q525 VanDerWaalsContact C-N 3.27Å; Y523-Q525 PolarHBondContact O-N 2.87Å
526	I	89	Confident	93.1	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.082	24%	0.24	C	C	.	.			trans	-147.4	79.7	-169.5	-168.1	172.9	0	0	0	114.2	V497 Y505 N522 Y528 F529 V553	V497-I526 HydrophobicContact CG1-CD1 3.66Å; Y505-I526 HydrophobicContact CD1-CD1 4.5Å; Y505-I526 HydrophobicContact CE1-CD1 4Å; N522-I526 WeakPolarHBondContact O-CG2 3.46Å; N522-I526 PolarHBondContact O-N 2.91Å; I526-Y528 VanDerWaalsContact C-N 3.31Å; I526-Y528 PolarHBondContact O-N 2.98Å; I526-F529 HydrophobicContact CD1-CB 4.06Å; I526-F529 HydrophobicContact CD1-CD1 3.54Å; I526-F529 HydrophobicContact CD1-CE1 4.21Å; I526-F529 HydrophobicContact CD1-CG 4.01Å; I526-F529 HydrophobicContact CG1-CD1 3.95Å; I526-V553 WeakPolarHBondContact O-CG2 3.5Å
527	K	91	Very high	93.1	Very high	79 Å²	79	47.8 Å²	47.8	34%	0.343	23%	0.225	S	C	.	.	S	Bend	trans	-59.7	-32.7	-179.2	-58.7	-175.9	-172.7	-66.6	0	114.4	Y523 V553	Y523-K527 HydrophobicContact CD1-CD 4.48Å; Y523-K527 HydrophobicContact CD1-CG 4.23Å; Y523-K527 HydrophobicContact CD2-CB 4.11Å; Y523-K527 HydrophobicContact CD2-CG 3.91Å; Y523-K527 HydrophobicContact CE1-CD 3.86Å; Y523-K527 HydrophobicContact CE1-CG 3.97Å; Y523-K527 HydrophobicContact CE2-CB 3.72Å; Y523-K527 HydrophobicContact CE2-CD 4.19Å; Y523-K527 HydrophobicContact CE2-CG 3.66Å; Y523-K527 HydrophobicContact CG-CG 4.16Å; Y523-K527 WeakPolarHBondContact O-CG 3.39Å; Y523-K527 PolarHBondContact O-N 3.18Å; Y523-K527 PolarHBondContact O-NZ 2.82Å; K527-V553 PolarHBondContact O-N 2.92Å
528	Y	91.7	Very high	93	Very high	159 Å²	159	49.1 Å²	49.1	62%	0.624	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-157.2	158.3	172.4	66.3	-91.9	0	0	0	111.6	I526 I551	I526-Y528 VanDerWaalsContact C-N 3.31Å; I526-Y528 PolarHBondContact O-N 2.98Å; Y528-I551 CarbonylContact C-O 3.52Å; Y528-I551 VanDerWaalsContact CA-O 3.28Å; Y528-I551 WeakPolarHBondContact CA-O 3.41Å; Y528-I551 WeakPolarHBondContact CB-O 3.36Å
529	F	92.6	Very high	92.8	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.035	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	155.4	166.3	59.5	-81.5	0	0	0	111.7	V497 V506 F521 I526 F531 R550 I551	V497-F529 HydrophobicContact CB-CB 4.39Å; V497-F529 HydrophobicContact CG1-CB 3.43Å; V497-F529 VanDerWaalsContact CG1-CB 3.43Å; V497-F529 HydrophobicContact CG1-CD2 3.91Å; V497-F529 HydrophobicContact CG1-CG 3.74Å; V497-F529 HydrophobicContact CG2-CB 4Å; V497-F529 HydrophobicContact CG2-CD2 4.24Å; V506-F529 HydrophobicContact CG1-CE2 4.36Å; V506-F529 HydrophobicContact CG1-CZ 4.3Å; F521-F529 HydrophobicContact CD1-CE1 4.26Å; F521-F529 HydrophobicContact CD1-CZ 4.44Å; F521-F529 HydrophobicContact CE1-CE1 4.07Å; F521-F529 AromaticContact CE1-CZ 3.8Å; F521-F529 HydrophobicContact CE1-CZ 3.8Å; F521-F529 HydrophobicContact CE2-CZ 4.5Å; F521-F529 HydrophobicContact CZ-CE1 4.28Å; F521-F529 AromaticContact CZ-CZ 3.83Å; F521-F529 HydrophobicContact CZ-CZ 3.83Å; I526-F529 HydrophobicContact CD1-CB 4.06Å; I526-F529 HydrophobicContact CD1-CD1 3.54Å; I526-F529 HydrophobicContact CD1-CE1 4.21Å; I526-F529 HydrophobicContact CD1-CG 4.01Å; I526-F529 HydrophobicContact CG1-CD1 3.95Å; F529-F531 HydrophobicContact CD2-CD1 4.23Å; F529-F531 HydrophobicContact CE2-CD1 4.16Å; F529-F531 HydrophobicContact CE2-CE1 4.32Å; F529-R550 WeakPolarHBondContact O-CA 3.4Å; F529-I551 HydrophobicContact CD1-CB 4.26Å; F529-I551 HydrophobicContact CD1-CG2 4.31Å; F529-I551 HydrophobicContact CE1-CB 3.91Å; F529-I551 HydrophobicContact CE1-CD1 4.35Å; F529-I551 HydrophobicContact CE1-CG2 3.72Å; F529-I551 HydrophobicContact CE2-CB 4.27Å; F529-I551 HydrophobicContact CE2-CD1 3.79Å; F529-I551 HydrophobicContact CE2-CG1 4.48Å; F529-I551 HydrophobicContact CZ-CB 3.93Å; F529-I551 HydrophobicContact CZ-CD1 3.54Å; F529-I551 HydrophobicContact CZ-CG1 4.29Å; F529-I551 HydrophobicContact CZ-CG2 4.02Å; F529-I551 PolarHBondContact N-O 2.95Å; F529-I551 PolarHBondContact O-N 2.78Å
530	D	93.1	Very high	92.6	Very high	66 Å²	66	47.5 Å²	47.5	35%	0.353	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.4	170.3	47.4	5.1	0	0	0	112.9	T548 V549 R550	D530-T548 HydrophobicContact CB-CG2 3.9Å; D530-V549 VanDerWaalsContact CA-O 3.26Å; D530-V549 WeakPolarHBondContact CA-O 3.09Å; D530-R550 HydrophobicContact CB-CB 4.15Å; D530-R550 HydrophobicContact CB-CG 4.38Å; D530-R550 IonicContact OD2-CZ 2.85Å; D530-R550 IonicContact OD2-NE 3.28Å; D530-R550 PolarHBondContact OD2-NE 2.91Å; D530-R550 IonicContact OD2-NH2 2.74Å; D530-R550 PolarHBondContact OD2-NH2 2.96Å
531	F	93.9	Very high	92.4	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	165.8	177.2	63.7	-80	0	0	0	109.5	I492 V502 V506 I515 F529 V533 T548 V549 I551	I492-F531 HydrophobicContact CD1-CE2 4.5Å; I492-F531 HydrophobicContact CG1-CD2 4.27Å; I492-F531 HydrophobicContact CG1-CE2 4.25Å; I492-F531 HydrophobicContact CG2-CD2 4.42Å; V502-F531 HydrophobicContact CB-CB 4.31Å; V502-F531 HydrophobicContact CG1-CB 3.58Å; V502-F531 HydrophobicContact CG1-CD1 4.36Å; V502-F531 HydrophobicContact CG1-CD2 3.98Å; V502-F531 HydrophobicContact CG1-CG 3.74Å; V502-F531 HydrophobicContact CG2-CB 3.77Å; V506-F531 HydrophobicContact CB-CZ 4.48Å; V506-F531 HydrophobicContact CG2-CD1 4.27Å; V506-F531 HydrophobicContact CG2-CD2 4.38Å; V506-F531 HydrophobicContact CG2-CE1 3.91Å; V506-F531 HydrophobicContact CG2-CE2 4.01Å; V506-F531 HydrophobicContact CG2-CG 4.5Å; V506-F531 HydrophobicContact CG2-CZ 3.76Å; I515-F531 HydrophobicContact CD1-CZ 4.17Å; I515-F531 HydrophobicContact CG2-CZ 4.18Å; F529-F531 HydrophobicContact CD2-CD1 4.23Å; F529-F531 HydrophobicContact CE2-CD1 4.16Å; F529-F531 HydrophobicContact CE2-CE1 4.32Å; F531-V533 HydrophobicContact CD2-CG2 4.06Å; F531-V533 HydrophobicContact CE2-CG2 3.62Å; F531-T548 CarbonylContact O-C 3.6Å; F531-T548 WeakPolarHBondContact O-CA 3.35Å; F531-V549 HydrophobicContact CD1-CB 4.19Å; F531-V549 HydrophobicContact CD2-CB 4.42Å; F531-V549 HydrophobicContact CE1-CB 3.7Å; F531-V549 HydrophobicContact CE1-CG1 3.64Å; F531-V549 HydrophobicContact CE2-CB 3.97Å; F531-V549 HydrophobicContact CE2-CG1 4.44Å; F531-V549 HydrophobicContact CE2-CG2 4.23Å; F531-V549 HydrophobicContact CZ-CB 3.59Å; F531-V549 HydrophobicContact CZ-CG1 3.6Å; F531-V549 HydrophobicContact CZ-CG2 4.18Å; F531-V549 PolarHBondContact N-O 3.37Å; F531-V549 PolarHBondContact O-N 2.58Å; F531-I551 HydrophobicContact CE1-CD1 3.87Å; F531-I551 HydrophobicContact CE1-CG1 4.29Å
532	K	94.8	Very high	92.3	Very high	93 Å²	93	54 Å²	54	40%	0.404	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.8	178	-67.1	-176.3	173.1	-160.6	0	110.7	I493 N546 A547	I493-K532 HydrophobicContact CB-CB 4.12Å; I493-K532 HydrophobicContact CD1-CB 3.88Å; I493-K532 HydrophobicContact CD1-CD 4.42Å; I493-K532 HydrophobicContact CG1-CB 4.16Å; I493-K532 PolarHBondContact N-O 2.86Å; K532-N546 PolarHBondContact NZ-OD1 2.96Å; K532-A547 WeakPolarHBondContact CA-O 3.15Å
533	V	96.2	Very high	92.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.7	167.3	-176	0	0	0	0	107.5	F453 V475 Y490 S491 V508 I515 F531 N546 A547 V549	F453-V533 WeakPolarHBondContact CE2-O 3.43Å; F453-V533 HydrophobicContact CZ-CB 4.42Å; F453-V533 HydrophobicContact CZ-CG1 4.25Å; F453-V533 WeakPolarHBondContact CZ-O 3.06Å; V475-V533 HydrophobicContact CG2-CB 4.43Å; V475-V533 HydrophobicContact CG2-CG1 3.9Å; Y490-V533 HydrophobicContact CD1-CG1 4.32Å; S491-V533 CarbonylContact O-C 3.53Å; S491-V533 WeakPolarHBondContact O-CA 3.07Å; S491-V533 WeakPolarHBondContact O-CG1 3.24Å; V508-V533 HydrophobicContact CG2-CG1 4.36Å; I515-V533 HydrophobicContact CD1-CG2 4.49Å; F531-V533 HydrophobicContact CD2-CG2 4.06Å; F531-V533 HydrophobicContact CE2-CG2 3.62Å; V533-N546 VanDerWaalsContact O-CA 3.29Å; V533-N546 WeakPolarHBondContact O-CA 3.32Å; V533-A547 PolarHBondContact N-O 2.72Å; V533-A547 PolarHBondContact O-N 3.37Å; V533-V549 HydrophobicContact CG2-CG2 3.73Å
534	L	95.9	Very high	92.6	Very high	20 Å²	20	58.5 Å²	58.5	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.5	169.1	-164.5	76.7	0	0	0	108.6	Y490 S491 I493 K536 E544 S545 N546	Y490-L534 WeakPolarHBondContact CA-O 3.43Å; S491-L534 PolarHBondContact N-O 2.81Å; S491-L534 PolarHBondContact O-N 2.88Å; I493-L534 HydrophobicContact CD1-CB 4.29Å; I493-L534 HydrophobicContact CD1-CD1 3.95Å; I493-L534 HydrophobicContact CG1-CB 3.96Å; I493-L534 HydrophobicContact CG1-CD1 4.39Å; L534-K536 HydrophobicContact CD2-CB 4.3Å; L534-K536 HydrophobicContact CD2-CD 4.48Å; L534-E544 HydrophobicContact CD1-CB 4.09Å; L534-E544 HydrophobicContact CD1-CG 4.29Å; L534-E544 HydrophobicContact CD2-CB 4.48Å; L534-E544 HydrophobicContact CG-CB 4.28Å; L534-S545 CarbonylContact C-O 3.43Å; L534-S545 WeakPolarHBondContact CA-O 3.09Å; L534-S545 WeakPolarHBondContact CD1-O 3.08Å; L534-N546 HydrophobicContact CD1-CB 4.45Å
535	A	96.7	Very high	92.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.2	160.2	0	0	0	0	0	107.2	P451 F453 A477 V488 Y489 Y490 E544 S545	P451-A535 HydrophobicContact CB-CB 3.88Å; F453-A535 HydrophobicContact CD2-CB 4.2Å; F453-A535 HydrophobicContact CE1-CB 4.03Å; F453-A535 HydrophobicContact CE2-CB 3.41Å; F453-A535 VanDerWaalsContact CE2-CB 3.41Å; F453-A535 HydrophobicContact CZ-CB 3.34Å; A477-A535 HydrophobicContact CB-CB 3.61Å; V488-A535 HydrophobicContact CG1-CB 3.75Å; Y489-A535 WeakPolarHBondContact O-CA 3.42Å; Y490-A535 HydrophobicContact CD1-CB 4.26Å; Y490-A535 HydrophobicContact CE1-CB 4.16Å; A535-E544 CarbonylContact O-C 3.6Å; A535-E544 WeakPolarHBondContact O-CA 3.33Å; A535-E544 WeakPolarHBondContact O-CB 3.15Å; A535-S545 PolarHBondContact N-O 3.4Å; A535-S545 PolarHBondContact O-N 3.34Å
536	K	95.3	Very high	93.2	Very high	61 Å²	61	53.1 Å²	53.1	27%	0.265	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.9	-172.4	167.8	168.6	179	152.1	0	109.3	Y489 L534 H542 L543 E544	Y489-K536 PolarHBondContact N-O 2.62Å; Y489-K536 PolarHBondContact O-N 3.16Å; L534-K536 HydrophobicContact CD2-CB 4.3Å; L534-K536 HydrophobicContact CD2-CD 4.48Å; K536-H542 WeakPolarHBondContact CE-CD2 3.46Å; K536-H542 HydrophobicContact CG-CB 4.46Å; K536-H542 PolarHBondContact NZ-CD2 3.22Å; K536-H542 PolarHBondContact NZ-CE1 3.09Å; K536-H542 VanDerWaalsContact NZ-CG 3.33Å; K536-H542 PolarHBondContact NZ-NE2 3.23Å; K536-L543 WeakPolarHBondContact CA-O 3.46Å; K536-E544 HydrophobicContact CB-CB 3.96Å; K536-E544 HydrophobicContact CG-CB 4.33Å; K536-E544 IonicContact NZ-OE2 3.96Å
537	D	95.7	Very high	93.5	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.027	27%	0.274	C	S	.	.			trans	-72.6	-176.4	178.7	57	37.3	0	0	0	113.2	N447 P451 N485 T487 G539 H542 L543	N447-D537 PolarHBondContact ND2-OD2 3.34Å; N447-D537 PolarHBondContact OD1-OD2 2.72Å; P451-D537 HydrophobicContact CG-CB 4.04Å; N485-D537 WeakPolarHBondContact O-CB 2.98Å; T487-D537 CarbonylContact O-C 3.57Å; T487-D537 WeakPolarHBondContact O-CA 3.29Å; D537-G539 WeakPolarHBondContact OD1-CA 3.36Å; D537-G539 PolarHBondContact OD1-N 2.83Å; D537-H542 WeakPolarHBondContact OD1-CA 3.49Å; D537-H542 WeakPolarHBondContact OD1-CB 3.4Å; D537-L543 VanDerWaalsContact CG-N 3.31Å; D537-L543 PolarHBondContact N-O 3.23Å; D537-L543 PolarHBondContact OD1-N 3.17Å; D537-L543 WeakPolarHBondContact OD2-CA 3.19Å; D537-L543 WeakPolarHBondContact OD2-CB 3.33Å; D537-L543 PolarHBondContact OD2-N 3.42Å
538	A	92.9	Very high	93.8	Very high	30 Å²	30	50.3 Å²	50.3	25%	0.248	27%	0.267	C	S	.	.	S	Bend	trans	-101.4	20.6	164.6	0	0	0	0	0	112.2	Q484 T487 Y489	Q484-A538 HydrophobicContact CB-CB 4.15Å; Q484-A538 WeakPolarHBondContact O-CA 3.38Å; Q484-A538 VanDerWaalsContact O-CB 3.23Å; Q484-A538 WeakPolarHBondContact O-CB 3.25Å; Q484-A538 PolarHBondContact O-N 2.74Å; T487-A538 HydrophobicContact CG2-CB 4.48Å; T487-A538 PolarHBondContact O-N 3.39Å; T487-A538 VanDerWaalsContact O-N 3.12Å; Y489-A538 HydrophobicContact CD2-CB 4.44Å; Y489-A538 HydrophobicContact CE2-CB 3.89Å
539	G	90.1	Very high	94	Very high	6 Å²	6	42.7 Å²	42.7	6%	0.062	24%	0.237	C	C	.	.			trans	-70.2	173.9	-174.1	0	0	0	0	0	115	N447 D537 P541	N447-G539 WeakPolarHBondContact OD1-CA 3.44Å; D537-G539 WeakPolarHBondContact OD1-CA 3.36Å; D537-G539 PolarHBondContact OD1-N 2.83Å; G539-P541 CarbonylContact C-O 3.53Å
540	S	86.1	Confident	94.1	Very high	115 Å²	115	47.5 Å²	47.5	80%	0.804	26%	0.255	S	S	*	.	S	Bend	trans	-150.9	95.7	174.2	-77.1	0	0	0	0	111.5
541	P	89.7	Confident	94.1	Very high	101 Å²	101	44.3 Å²	44.3	66%	0.656	24%	0.238	S	C	*	.	S	Bend	cis	-64.5	153.8	3.9	30.8	-37.3	0	0	0	112.2	G539	G539-P541 CarbonylContact C-O 3.53Å
542	H	91.4	Very high	94.2	Very high	97 Å²	97	45.8 Å²	45.8	45%	0.449	25%	0.249	S	C	.	.			trans	-86.8	141.3	173.9	51.7	-100	0	0	0	111.1	K536 D537	K536-H542 WeakPolarHBondContact CE-CD2 3.46Å; K536-H542 HydrophobicContact CG-CB 4.46Å; K536-H542 PolarHBondContact NZ-CD2 3.22Å; K536-H542 PolarHBondContact NZ-CE1 3.09Å; K536-H542 VanDerWaalsContact NZ-CG 3.33Å; K536-H542 PolarHBondContact NZ-NE2 3.23Å; D537-H542 WeakPolarHBondContact OD1-CA 3.49Å; D537-H542 WeakPolarHBondContact OD1-CB 3.4Å
543	L	94	Very high	94.1	Very high	51 Å²	51	41.5 Å²	41.5	27%	0.267	23%	0.23	S	C	.	.			trans	-110.9	149.9	173.3	-60	177.1	0	0	0	109.9	N447 N449 V450 K536 D537	N447-L543 WeakPolarHBondContact ND2-CD1 3.29Å; N447-L543 VanDerWaalsContact O-CD1 3.25Å; N447-L543 WeakPolarHBondContact O-CD1 3.39Å; N449-L543 WeakPolarHBondContact O-CD1 3.41Å; V450-L543 HydrophobicContact CB-CB 4.44Å; V450-L543 HydrophobicContact CG1-CB 4.07Å; V450-L543 HydrophobicContact CG1-CD1 4.2Å; K536-L543 WeakPolarHBondContact CA-O 3.46Å; D537-L543 VanDerWaalsContact CG-N 3.31Å; D537-L543 PolarHBondContact N-O 3.23Å; D537-L543 PolarHBondContact OD1-N 3.17Å; D537-L543 WeakPolarHBondContact OD2-CA 3.19Å; D537-L543 WeakPolarHBondContact OD2-CB 3.33Å; D537-L543 PolarHBondContact OD2-N 3.42Å
544	E	95.1	Very high	93.9	Very high	98 Å²	98	44.8 Å²	44.8	46%	0.458	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.4	-171.3	57.4	178	-123.6	0	0	112.3	L534 A535 K536	L534-E544 HydrophobicContact CD1-CB 4.09Å; L534-E544 HydrophobicContact CD1-CG 4.29Å; L534-E544 HydrophobicContact CD2-CB 4.48Å; L534-E544 HydrophobicContact CG-CB 4.28Å; A535-E544 CarbonylContact O-C 3.6Å; A535-E544 WeakPolarHBondContact O-CA 3.33Å; A535-E544 WeakPolarHBondContact O-CB 3.15Å; K536-E544 HydrophobicContact CB-CB 3.96Å; K536-E544 HydrophobicContact CG-CB 4.33Å; K536-E544 IonicContact NZ-OE2 3.96Å
545	S	96.1	Very high	93.7	Very high	28 Å²	28	45.5 Å²	45.5	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	167.8	171.4	93.4	0	0	0	0	110.8	P451 F453 L534 A535	P451-S545 WeakPolarHBondContact O-CB 3.17Å; P451-S545 PolarHBondContact O-OG 2.82Å; F453-S545 WeakPolarHBondContact CD2-OG 3.33Å; L534-S545 CarbonylContact C-O 3.43Å; L534-S545 WeakPolarHBondContact CA-O 3.09Å; L534-S545 WeakPolarHBondContact CD1-O 3.08Å; A535-S545 PolarHBondContact N-O 3.4Å; A535-S545 PolarHBondContact O-N 3.34Å
546	N	95.9	Very high	93.5	Very high	79 Å²	79	48 Å²	48	42%	0.422	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.2	176.1	57.8	99.1	0	0	0	112.6	I493 K532 V533 L534	I493-N546 HydrophobicContact CD1-CB 3.84Å; K532-N546 PolarHBondContact NZ-OD1 2.96Å; V533-N546 VanDerWaalsContact O-CA 3.29Å; V533-N546 WeakPolarHBondContact O-CA 3.32Å; L534-N546 HydrophobicContact CD1-CB 4.45Å
547	A	96	Very high	93.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151	168.2	0	0	0	0	0	110.2	F453 Y458 K532 V533	F453-A547 HydrophobicContact CB-CB 3.92Å; F453-A547 HydrophobicContact CD1-CB 3.87Å; F453-A547 HydrophobicContact CD2-CB 3.56Å; F453-A547 HydrophobicContact CE1-CB 4.21Å; F453-A547 HydrophobicContact CE2-CB 3.93Å; F453-A547 HydrophobicContact CG-CB 3.5Å; F453-A547 HydrophobicContact CZ-CB 4.22Å; Y458-A547 HydrophobicContact CD2-CB 4.11Å; Y458-A547 HydrophobicContact CE2-CB 3.8Å; K532-A547 WeakPolarHBondContact CA-O 3.15Å; V533-A547 PolarHBondContact N-O 2.72Å; V533-A547 PolarHBondContact O-N 3.37Å
548	T	95.7	Very high	93	Very high	34 Å²	34	48.5 Å²	48.5	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.1	177.1	-53.4	0	0	0	0	109.5	S456 V457 Y458 D530 F531	S456-T548 PolarHBondContact O-N 2.84Å; V457-T548 CarbonylContact C-O 3.6Å; V457-T548 VanDerWaalsContact CA-O 3.26Å; V457-T548 WeakPolarHBondContact CA-O 3.4Å; Y458-T548 PolarHBondContact N-O 3.22Å; D530-T548 HydrophobicContact CB-CG2 3.9Å; F531-T548 CarbonylContact O-C 3.6Å; F531-T548 WeakPolarHBondContact O-CA 3.35Å
549	V	95.9	Very high	92.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.8	169.2	-177.1	0	0	0	0	107.5	Y458 L460 V475 I515 D530 F531 V533	Y458-V549 WeakPolarHBondContact O-CA 3.19Å; L460-V549 HydrophobicContact CD1-CG1 3.74Å; L460-V549 HydrophobicContact CG-CG1 4.16Å; V475-V549 HydrophobicContact CG1-CG2 3.66Å; I515-V549 HydrophobicContact CD1-CG1 4.06Å; I515-V549 HydrophobicContact CD1-CG2 3.88Å; D530-V549 VanDerWaalsContact CA-O 3.26Å; D530-V549 WeakPolarHBondContact CA-O 3.09Å; F531-V549 HydrophobicContact CD1-CB 4.19Å; F531-V549 HydrophobicContact CD2-CB 4.42Å; F531-V549 HydrophobicContact CE1-CB 3.7Å; F531-V549 HydrophobicContact CE1-CG1 3.64Å; F531-V549 HydrophobicContact CE2-CB 3.97Å; F531-V549 HydrophobicContact CE2-CG1 4.44Å; F531-V549 HydrophobicContact CE2-CG2 4.23Å; F531-V549 HydrophobicContact CZ-CB 3.59Å; F531-V549 HydrophobicContact CZ-CG1 3.6Å; F531-V549 HydrophobicContact CZ-CG2 4.18Å; F531-V549 PolarHBondContact N-O 3.37Å; F531-V549 PolarHBondContact O-N 2.58Å; V533-V549 HydrophobicContact CG2-CG2 3.73Å
550	R	95.1	Very high	92.9	Very high	108 Å²	108	53.2 Å²	53.2	41%	0.408	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.9	173.1	-178.3	168.2	-68	165.6	0.3	109	Y458 L459 L460 F529 D530	Y458-R550 PolarHBondContact O-N 3.14Å; L459-R550 HydrophobicContact CD1-CB 4.23Å; L459-R550 HydrophobicContact CD1-CG 4.12Å; L460-R550 PolarHBondContact N-O 3.31Å; F529-R550 WeakPolarHBondContact O-CA 3.4Å; D530-R550 HydrophobicContact CB-CB 4.15Å; D530-R550 HydrophobicContact CB-CG 4.38Å; D530-R550 IonicContact OD2-CZ 2.85Å; D530-R550 IonicContact OD2-NE 3.28Å; D530-R550 PolarHBondContact OD2-NE 2.91Å; D530-R550 IonicContact OD2-NH2 2.74Å; D530-R550 PolarHBondContact OD2-NH2 2.96Å
551	I	94.1	Very high	93.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.1	168.1	-70.6	170.4	0	0	0	107.2	L460 I462 L472 V506 F521 Y528 F529 F531 V553	L460-I551 HydrophobicContact CB-CG1 4.19Å; L460-I551 HydrophobicContact CD1-CG1 4.29Å; I462-I551 HydrophobicContact CB-CG2 4.49Å; I462-I551 HydrophobicContact CG1-CG2 4.12Å; L472-I551 HydrophobicContact CD1-CD1 3.78Å; V506-I551 HydrophobicContact CG1-CD1 3.74Å; F521-I551 HydrophobicContact CE2-CG2 4.35Å; F521-I551 HydrophobicContact CZ-CD1 4.42Å; Y528-I551 CarbonylContact C-O 3.52Å; Y528-I551 VanDerWaalsContact CA-O 3.28Å; Y528-I551 WeakPolarHBondContact CA-O 3.41Å; Y528-I551 WeakPolarHBondContact CB-O 3.36Å; F529-I551 HydrophobicContact CD1-CB 4.26Å; F529-I551 HydrophobicContact CD1-CG2 4.31Å; F529-I551 HydrophobicContact CE1-CB 3.91Å; F529-I551 HydrophobicContact CE1-CD1 4.35Å; F529-I551 HydrophobicContact CE1-CG2 3.72Å; F529-I551 HydrophobicContact CE2-CB 4.27Å; F529-I551 HydrophobicContact CE2-CD1 3.79Å; F529-I551 HydrophobicContact CE2-CG1 4.48Å; F529-I551 HydrophobicContact CZ-CB 3.93Å; F529-I551 HydrophobicContact CZ-CD1 3.54Å; F529-I551 HydrophobicContact CZ-CG1 4.29Å; F529-I551 HydrophobicContact CZ-CG2 4.02Å; F529-I551 PolarHBondContact N-O 2.95Å; F529-I551 PolarHBondContact O-N 2.78Å; F531-I551 HydrophobicContact CE1-CD1 3.87Å; F531-I551 HydrophobicContact CE1-CG1 4.29Å; I551-V553 HydrophobicContact CG2-CG2 4.33Å
552	S	94.6	Very high	93.3	Very high	35 Å²	35	47.1 Å²	47.1	25%	0.245	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.3	159.8	-169	0	0	0	0	106.9	L460 Q461 I462	L460-S552 PolarHBondContact O-N 3.2Å; Q461-S552 WeakPolarHBondContact CA-O 3.48Å; I462-S552 PolarHBondContact N-O 3.49Å
553	V	93.8	Very high	93.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.2	166.7	-176.9	0	0	0	0	107.1	I462 E464 F521 Y523 I526 K527 I551	I462-V553 CarbonylContact O-C 3.58Å; I462-V553 WeakPolarHBondContact O-CA 3.48Å; E464-V553 HydrophobicContact CB-CG1 3.67Å; F521-V553 HydrophobicContact CB-CG1 4.31Å; F521-V553 HydrophobicContact CB-CG2 3.9Å; F521-V553 HydrophobicContact CD2-CG2 4.34Å; F521-V553 HydrophobicContact CG-CG2 4.25Å; Y523-V553 HydrophobicContact CD2-CB 4.1Å; Y523-V553 HydrophobicContact CD2-CG1 4.05Å; Y523-V553 WeakPolarHBondContact CE2-O 3.47Å; I526-V553 WeakPolarHBondContact O-CG2 3.5Å; K527-V553 PolarHBondContact O-N 2.92Å; I551-V553 HydrophobicContact CG2-CG2 4.33Å
554	L	92.5	Very high	93	Very high	70 Å²	70	43.9 Å²	43.9	37%	0.366	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.1	171.6	-57.9	-180	0	0	0	108.2	Q461 I462 E464	Q461-L554 HydrophobicContact CB-CD1 4.04Å; Q461-L554 HydrophobicContact CB-CD2 4.27Å; Q461-L554 HydrophobicContact CB-CG 4.18Å; I462-L554 PolarHBondContact O-N 2.86Å; E464-L554 PolarHBondContact N-O 2.95Å
555	D	91	Very high	92.7	Very high	34 Å²	34	43.5 Å²	43.5	18%	0.182	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-50.4	134.4	170.6	-179.6	103.8	0	0	0	111.9	E464 Y523 Y597 S600	E464-D555 WeakPolarHBondContact OE1-CA 3.1Å; Y523-D555 HydrophobicContact CD1-CB 3.92Å; Y523-D555 HydrophobicContact CD2-CB 4.39Å; Y523-D555 HydrophobicContact CE1-CB 4.01Å; Y523-D555 HydrophobicContact CE2-CB 4.46Å; Y523-D555 HydrophobicContact CG-CB 4.15Å; D555-Y597 WeakPolarHBondContact OD1-CA 3.26Å; D555-Y597 VanDerWaalsContact OD1-CB 3.28Å; D555-Y597 WeakPolarHBondContact OD1-CB 3.43Å; D555-Y597 PolarHBondContact OD1-N 2.86Å; D555-S600 WeakPolarHBondContact OD2-CB 3.17Å; D555-S600 PolarHBondContact OD2-OG 3.12Å
556	V	91.6	Very high	92.2	Very high	54 Å²	54	43.3 Å²	43.3	33%	0.327	23%	0.234	S	C	.	.			trans	-134.3	118	172.8	178.6	0	0	0	0	108.4	P463 E464 D558	P463-V556 HydrophobicContact CB-CG2 3.8Å; E464-V556 HydrophobicContact CG-CB 3.86Å; E464-V556 HydrophobicContact CG-CG2 4.07Å; E464-V556 PolarHBondContact OE1-N 2.91Å; V556-D558 WeakPolarHBondContact O-CB 3.36Å; V556-D558 PolarHBondContact O-N 2.79Å
557	N	91.4	Very high	91.7	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.048	25%	0.252	C	S	.	.			trans	-54.6	96.6	-173.6	-161.1	105.7	0	0	0	113.3	D596 S600 D647 G649 P651 L653	N557-D596 WeakPolarHBondContact CA-OD2 3.28Å; N557-S600 WeakPolarHBondContact OD1-CA 3.21Å; N557-S600 WeakPolarHBondContact OD1-CB 3.27Å; N557-S600 PolarHBondContact OD1-O 3.18Å; N557-D647 PolarHBondContact ND2-OD2 3.37Å; N557-D647 VanDerWaalsContact OD1-CG 3.25Å; N557-D647 PolarHBondContact OD1-OD2 3.42Å; N557-G649 WeakPolarHBondContact OD1-CA 3.49Å; N557-P651 PolarHBondContact ND2-O 2.81Å; N557-L653 WeakPolarHBondContact ND2-CD1 3.41Å; N557-L653 WeakPolarHBondContact ND2-CG 3.49Å
558	D	89.8	Confident	91.2	Very high	66 Å²	66	49 Å²	49	35%	0.353	26%	0.263	S	S	.	.			trans	-130.7	-18.4	-173.8	100.7	-20.9	0	0	0	113.7	N465 V556 D596	N465-D558 PolarHBondContact ND2-OD2 3.05Å; V556-D558 WeakPolarHBondContact O-CB 3.36Å; V556-D558 PolarHBondContact O-N 2.79Å; D558-D596 PolarHBondContact N-OD2 2.86Å
559	N	91	Very high	90.6	Very high	39 Å²	39	54.7 Å²	54.7	21%	0.209	29%	0.287	C	S	.	.	S	Bend	trans	-81.9	147.6	167.8	-70.1	-90.6	0	0	0	109.9	D594 N595 D596 L653	N559-D594 WeakPolarHBondContact CB-OD1 3.37Å; N559-N595 HydrophobicContact CB-CB 4.22Å; N559-N595 PolarHBondContact OD1-ND2 3.26Å; N559-N595 VanDerWaalsContact OD1-ND2 3.07Å; N559-D596 VanDerWaalsContact CB-OD1 3.3Å; N559-D596 WeakPolarHBondContact CB-OD1 3.49Å; N559-D596 PolarHBondContact N-OD2 2.84Å; N559-D596 VanDerWaalsContact N-OD2 3.12Å; N559-D596 PolarHBondContact ND2-OD1 3.24Å; N559-L653 VanDerWaalsContact O-CD1 3.26Å; N559-L653 WeakPolarHBondContact O-CD1 3.46Å
560	I	89.9	Confident	89.9	Confident	97 Å²	97	61.7 Å²	61.7	50%	0.497	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-101.8	134	177.7	-57	176.6	0	0	0	108.1	V562 L653 A655	I560-V562 WeakPolarHBondContact O-CG2 3.35Å; I560-V562 PolarHBondContact O-N 3.42Å; I560-V562 VanDerWaalsContact O-N 3.15Å; I560-L653 HydrophobicContact CG1-CB 4.23Å; I560-L653 HydrophobicContact CG1-CD1 4.1Å; I560-A655 HydrophobicContact CG2-CB 4.33Å
561	P	92.9	Very high	89.4	Confident	1 Å²	1	62 Å²	62	1%	0.006	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-51.4	117.4	179.8	-29.5	32.1	0	0	0	113.5	D594 L603 V645 D647 A655	P561-D594 WeakPolarHBondContact CA-OD2 3.28Å; P561-D594 VanDerWaalsContact CD-OD2 3.28Å; P561-D594 WeakPolarHBondContact CD-OD2 3.5Å; P561-D594 VanDerWaalsContact CG-OD2 3.27Å; P561-D594 WeakPolarHBondContact CG-OD2 2.95Å; P561-D594 VanDerWaalsContact N-OD2 3.16Å; P561-L603 HydrophobicContact CB-CD1 4.33Å; P561-L603 HydrophobicContact CB-CD2 3.63Å; P561-L603 HydrophobicContact CG-CD2 3.53Å; P561-V645 HydrophobicContact CB-CB 4.36Å; P561-V645 HydrophobicContact CB-CG1 3.9Å; P561-D647 HydrophobicContact CG-CB 4.21Å; P561-A655 WeakPolarHBondContact O-CB 3.12Å
562	V	91.2	Very high	89.1	Confident	86 Å²	86	63.2 Å²	63.2	52%	0.521	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.7	-177.3	-175.8	0	0	0	0	110.8	I560 V564 A592 V593	I560-V562 WeakPolarHBondContact O-CG2 3.35Å; I560-V562 PolarHBondContact O-N 3.42Å; I560-V562 VanDerWaalsContact O-N 3.15Å; V562-V564 HydrophobicContact CG1-CG1 4.43Å; V562-V564 PolarHBondContact O-N 2.86Å; V562-A592 CarbonylContact O-C 3.55Å; V562-A592 WeakPolarHBondContact O-CA 3.15Å; V562-A592 WeakPolarHBondContact O-CB 3.45Å; V562-V593 PolarHBondContact N-O 3.27Å; V562-V593 PolarHBondContact O-N 2.72Å
563	I	90.7	Very high	88.8	Confident	20 Å²	20	62 Å²	62	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.3	175.2	-60.1	167.2	0	0	0	109.5	L568 V590 A592 V645 A655 A657	I563-L568 HydrophobicContact CB-CD1 3.94Å; I563-L568 HydrophobicContact CD1-CD1 4.5Å; I563-L568 HydrophobicContact CG2-CD1 3.9Å; I563-L568 HydrophobicContact CG2-CG 4.26Å; I563-V590 HydrophobicContact CG2-CG1 4.11Å; I563-A592 HydrophobicContact CG1-CB 4.18Å; I563-V645 HydrophobicContact CD1-CG2 3.91Å; I563-V645 HydrophobicContact CG1-CG2 3.77Å; I563-A655 HydrophobicContact CD1-CB 4.4Å; I563-A657 HydrophobicContact CD1-CB 3.62Å
564	V	89.5	Confident	88.4	Confident	61 Å²	61	67 Å²	67	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-22.2	-176.7	-64.4	0	0	0	0	113.7	V562 R591 V593	V562-V564 HydrophobicContact CG1-CG1 4.43Å; V562-V564 PolarHBondContact O-N 2.86Å; V564-R591 HydrophobicContact CG2-CB 4.38Å; V564-R591 HydrophobicContact CG2-CG 4.2Å; V564-R591 VanDerWaalsContact CG2-O 3.27Å; V564-R591 WeakPolarHBondContact CG2-O 3.31Å; V564-R591 PolarHBondContact N-O 3.18Å; V564-V593 HydrophobicContact CG1-CG2 4.25Å; V564-V593 HydrophobicContact CG2-CG2 3.95Å
565	L	87.6	Confident	88.1	Confident	90 Å²	90	64.6 Å²	64.6	47%	0.471	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.2	171.8	-62	171	0	0	0	110.1	V590 R591	L565-V590 CarbonylContact O-C 3.6Å; L565-V590 WeakPolarHBondContact O-CA 3.34Å; L565-R591 HydrophobicContact CB-CB 4.05Å; L565-R591 HydrophobicContact CD1-CB 4.35Å; L565-R591 PolarHBondContact N-O 3.02Å; L565-R591 PolarHBondContact O-N 2.8Å
566	P	86.4	Confident	87.7	Confident	23 Å²	23	68.9 Å²	68.9	15%	0.149	36%	0.363	C	S	.	.	S	Bend	cis	-59.2	157.3	-15.1	29.1	-36.4	0	0	0	111.2	L568 A573 L659	P566-L568 PolarHBondContact O-N 2.95Å; P566-L568 VanDerWaalsContact O-N 3.08Å; P566-A573 HydrophobicContact CB-CB 3.95Å; P566-A573 HydrophobicContact CG-CB 3.63Å; P566-L659 HydrophobicContact CG-CD2 3.68Å
567	L	85.2	Confident	87.1	Confident	154 Å²	154	66.3 Å²	66.3	81%	0.806	35%	0.348	S	S	*	.			trans	-64.3	113.8	-178.6	-178	67.7	0	0	0	109.8
568	L	86.2	Confident	86.5	Confident	46 Å²	46	67.7 Å²	67.7	24%	0.241	36%	0.357	C	S	.	.			trans	-81.3	139.7	-176.9	-55.1	-178.5	0	0	0	111.3	I563 P566 T572 A573 A657	I563-L568 HydrophobicContact CB-CD1 3.94Å; I563-L568 HydrophobicContact CD1-CD1 4.5Å; I563-L568 HydrophobicContact CG2-CD1 3.9Å; I563-L568 HydrophobicContact CG2-CG 4.26Å; P566-L568 PolarHBondContact O-N 2.95Å; P566-L568 VanDerWaalsContact O-N 3.08Å; L568-T572 CarbonylContact C-O 3.23Å; L568-T572 WeakPolarHBondContact CA-O 3.21Å; L568-A573 HydrophobicContact CD2-CB 3.94Å; L568-A657 HydrophobicContact CD1-CB 3.59Å; L568-A657 HydrophobicContact CD2-CB 3.79Å; L568-A657 HydrophobicContact CG-CB 4.37Å
569	Q	81.3	Confident	85.6	Confident	154 Å²	154	67.4 Å²	67.4	72%	0.72	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-122.2	116.9	167.2	-170	168.7	21.4	0	0	108.3	D571 T572	Q569-D571 VanDerWaalsContact C-N 3.33Å; Q569-D571 PolarHBondContact O-N 3.07Å; Q569-T572 PolarHBondContact N-O 2.93Å; Q569-T572 PolarHBondContact O-N 2.89Å; Q569-T572 VanDerWaalsContact O-N 3.09Å; Q569-T572 PolarHBondContact O-OG1 2.73Å
570	N	82.8	Confident	84.5	Confident	147 Å²	147	70.6 Å²	70.6	79%	0.786	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	51.4	-171.9	-57.9	-7.1	0	0	0	112.4	T572	N570-T572 WeakPolarHBondContact O-CG2 3.32Å; N570-T572 PolarHBondContact O-N 3.36Å; N570-T572 VanDerWaalsContact O-N 3.11Å
571	D	84.3	Confident	83.7	Confident	114 Å²	114	67.3 Å²	67.3	61%	0.61	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	18.3	-178.7	-44.2	-39.2	0	0	0	114.6	Q569 A657 R658	Q569-D571 VanDerWaalsContact C-N 3.33Å; Q569-D571 PolarHBondContact O-N 3.07Å; D571-A657 WeakPolarHBondContact O-CA 3.24Å; D571-R658 PolarHBondContact O-N 3.5Å
572	T	86.8	Confident	82.7	Confident	25 Å²	25	69.7 Å²	69.7	15%	0.153	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.2	178.2	72.5	0	0	0	0	112.7	L568 Q569 N570 R658	L568-T572 CarbonylContact C-O 3.23Å; L568-T572 WeakPolarHBondContact CA-O 3.21Å; Q569-T572 PolarHBondContact N-O 2.93Å; Q569-T572 PolarHBondContact O-N 2.89Å; Q569-T572 VanDerWaalsContact O-N 3.09Å; Q569-T572 PolarHBondContact O-OG1 2.73Å; N570-T572 WeakPolarHBondContact O-CG2 3.32Å; N570-T572 PolarHBondContact O-N 3.36Å; N570-T572 VanDerWaalsContact O-N 3.11Å; T572-R658 VanDerWaalsContact CA-O 3.24Å; T572-R658 WeakPolarHBondContact CA-O 3.48Å; T572-R658 HydrophobicContact CG2-CB 4.16Å
573	A	88.1	Confident	82.2	Confident	9 Å²	9	69.8 Å²	69.8	7%	0.074	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.9	161.6	0	0	0	0	0	110.3	P566 L568 R658 L659 I660	P566-A573 HydrophobicContact CB-CB 3.95Å; P566-A573 HydrophobicContact CG-CB 3.63Å; L568-A573 HydrophobicContact CD2-CB 3.94Å; A573-R658 PolarHBondContact N-O 3.09Å; A573-R658 VanDerWaalsContact N-O 3.11Å; A573-L659 HydrophobicContact CB-CD2 3.94Å; A573-L659 WeakPolarHBondContact O-CA 3.42Å; A573-I660 PolarHBondContact O-N 3.07Å
574	E	86.1	Confident	81.7	Confident	109 Å²	109	70.5 Å²	70.5	51%	0.509	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.3	174.2	-52.8	-156.8	148.4	0	0	110.4	I660 K662	E574-I660 WeakPolarHBondContact CA-O 3.22Å; E574-I660 HydrophobicContact CG-CB 4.36Å; E574-K662 WeakPolarHBondContact OE1-CE 3.27Å; E574-K662 IonicContact OE1-NZ 2.73Å; E574-K662 PolarHBondContact OE1-NZ 3.25Å; E574-K662 WeakPolarHBondContact OE2-CE 3.48Å; E574-K662 IonicContact OE2-NZ 3.78Å; E574-K662 PolarHBondContact OE2-NZ 3.36Å
575	I	86.9	Confident	81.4	Confident	19 Å²	19	72.1 Å²	72.1	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.6	-176.8	-60.2	158	0	0	0	109	V577 V587 T588 L659 I660 V661 K662	I575-V577 HydrophobicContact CG2-CG2 4.3Å; I575-V587 HydrophobicContact CD1-CG1 4.47Å; I575-V587 HydrophobicContact CG2-CG1 3.76Å; I575-V587 WeakPolarHBondContact CG2-O 3.28Å; I575-T588 HydrophobicContact CD1-CG2 3.57Å; I575-L659 HydrophobicContact CD1-CB 4.12Å; I575-L659 HydrophobicContact CD1-CD1 3.85Å; I575-L659 HydrophobicContact CD1-CD2 3.94Å; I575-L659 HydrophobicContact CD1-CG 4.19Å; I575-I660 PolarHBondContact N-O 2.7Å; I575-V661 WeakPolarHBondContact O-CA 3.32Å; I575-K662 PolarHBondContact O-N 2.8Å
576	H	82.4	Confident	81.3	Confident	123 Å²	123	71.1 Å²	71.1	57%	0.569	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.7	178.6	-71.7	-67.5	0	0	0	111.3	K662	H576-K662 WeakPolarHBondContact CA-O 3.31Å
577	V	79.1	Confident	81.3	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.5	178.5	176.7	0	0	0	0	108.6	I575 V581 Y585 V587 V661 K662 S664	I575-V577 HydrophobicContact CG2-CG2 4.3Å; V577-V581 HydrophobicContact CG1-CG2 3.89Å; V577-Y585 HydrophobicContact CG1-CD1 4.22Å; V577-Y585 HydrophobicContact CG1-CE1 3.98Å; V577-V587 HydrophobicContact CG2-CB 4.25Å; V577-V587 HydrophobicContact CG2-CG1 3.71Å; V577-V587 HydrophobicContact CG2-CG2 4.04Å; V577-V661 HydrophobicContact CB-CG1 4.25Å; V577-V661 HydrophobicContact CG2-CG1 3.58Å; V577-K662 PolarHBondContact N-O 3.27Å; V577-K662 VanDerWaalsContact N-O 3.08Å; V577-S664 PolarHBondContact O-N 2.78Å; V577-S664 PolarHBondContact O-OG 2.86Å
578	P	77.6	Confident	81.5	Confident	38 Å²	38	64.6 Å²	64.6	25%	0.247	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.1	171	-16.7	30.6	0	0	0	109.8	N580 V581 S664	P578-N580 PolarHBondContact O-N 2.83Å; P578-V581 HydrophobicContact CB-CG1 4.15Å; P578-V581 HydrophobicContact CG-CG1 4.35Å; P578-V581 WeakPolarHBondContact O-CG1 3.48Å; P578-V581 WeakPolarHBondContact O-CG2 3.25Å; P578-S664 WeakPolarHBondContact CA-OG 3.29Å
579	R	71.1	Confident	81.7	Confident	59 Å²	59	65.3 Å²	65.3	22%	0.223	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-43	-178.9	-85.6	-159	-168.7	-126	-6.6	113.9	V581 D633 A663 S664 N665	R579-V581 PolarHBondContact O-N 3.14Å; R579-D633 WeakPolarHBondContact CB-OD1 3.29Å; R579-D633 PolarHBondContact NH1-O 3.15Å; R579-A663 HydrophobicContact CG-CB 3.99Å; R579-S664 PolarHBondContact N-O 2.8Å; R579-N665 WeakPolarHBondContact CD-OD1 3.37Å; R579-N665 PolarHBondContact NE-OD1 2.91Å
580	N	69.4	Low	82.2	Confident	107 Å²	107	58 Å²	58	57%	0.572	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	34.7	-169.9	68.2	-72.9	0	0	0	114.9	P578	P578-N580 PolarHBondContact O-N 2.83Å
581	V	72.1	Confident	82.7	Confident	28 Å²	28	58 Å²	58	17%	0.17	31%	0.312	C	S	.	.			trans	-96	137.4	-179.9	-64.1	0	0	0	0	111.3	V577 P578 R579 Y585 T627	V577-V581 HydrophobicContact CG1-CG2 3.89Å; P578-V581 HydrophobicContact CB-CG1 4.15Å; P578-V581 HydrophobicContact CG-CG1 4.35Å; P578-V581 WeakPolarHBondContact O-CG1 3.48Å; P578-V581 WeakPolarHBondContact O-CG2 3.25Å; R579-V581 PolarHBondContact O-N 3.14Å; V581-Y585 HydrophobicContact CB-CD1 4.06Å; V581-Y585 HydrophobicContact CB-CD2 3.98Å; V581-Y585 HydrophobicContact CB-CG 3.67Å; V581-Y585 HydrophobicContact CG1-CD1 3.97Å; V581-Y585 HydrophobicContact CG1-CD2 3.63Å; V581-Y585 HydrophobicContact CG1-CE1 4.11Å; V581-Y585 HydrophobicContact CG1-CE2 3.79Å; V581-Y585 HydrophobicContact CG1-CG 3.73Å; V581-Y585 HydrophobicContact CG2-CD1 3.98Å; V581-Y585 HydrophobicContact CG2-CG 4.04Å; V581-T627 HydrophobicContact CG2-CG2 4.03Å
582	G	72.1	Confident	83	Confident	50 Å²	50	53 Å²	53	52%	0.515	29%	0.286	S	S	.	.			trans	-75.6	175.9	175.1	0	0	0	0	0	113.1	Y585 T627	G582-Y585 PolarHBondContact O-N 3.05Å; G582-T627 PolarHBondContact O-OG1 2.94Å
583	V	79.6	Confident	83.2	Confident	88 Å²	88	54.9 Å²	54.9	53%	0.533	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	138.5	168.9	177.6	0	0	0	0	110.1	A628 P630	V583-A628 WeakPolarHBondContact CG1-O 3.44Å; V583-P630 HydrophobicContact CG2-CB 3.9Å; V583-P630 HydrophobicContact CG2-CG 4.27Å
584	G	80.9	Confident	83.5	Confident	35 Å²	35	55.5 Å²	55.5	36%	0.361	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	1.1	179.3	0	0	0	0	0	115.4	I586 R626 T627	G584-I586 PolarHBondContact O-N 2.98Å; G584-R626 PolarHBondContact O-NE 2.79Å; G584-T627 PolarHBondContact N-O 3.23Å; G584-T627 PolarHBondContact N-OG1 3.41Å
585	Y	83.7	Confident	83.7	Confident	95 Å²	95	54.8 Å²	54.8	37%	0.373	30%	0.299	S	S	.	.			trans	-68.5	127.3	176.7	177.1	-93	0	0	0	110.8	V577 V581 G582 V587 R626 T627	V577-Y585 HydrophobicContact CG1-CD1 4.22Å; V577-Y585 HydrophobicContact CG1-CE1 3.98Å; V581-Y585 HydrophobicContact CB-CD1 4.06Å; V581-Y585 HydrophobicContact CB-CD2 3.98Å; V581-Y585 HydrophobicContact CB-CG 3.67Å; V581-Y585 HydrophobicContact CG1-CD1 3.97Å; V581-Y585 HydrophobicContact CG1-CD2 3.63Å; V581-Y585 HydrophobicContact CG1-CE1 4.11Å; V581-Y585 HydrophobicContact CG1-CE2 3.79Å; V581-Y585 HydrophobicContact CG1-CG 3.73Å; V581-Y585 HydrophobicContact CG2-CD1 3.98Å; V581-Y585 HydrophobicContact CG2-CG 4.04Å; G582-Y585 PolarHBondContact O-N 3.05Å; Y585-V587 PolarHBondContact O-N 2.9Å; Y585-R626 CarbonylContact O-C 3.56Å; Y585-R626 VanDerWaalsContact O-CA 3.26Å; Y585-R626 WeakPolarHBondContact O-CA 3.5Å; Y585-T627 WeakPolarHBondContact CB-OG1 3.33Å; Y585-T627 PolarHBondContact N-OG1 2.89Å; Y585-T627 VanDerWaalsContact N-OG1 3.09Å; Y585-T627 PolarHBondContact O-N 3.12Å
586	I	85.6	Confident	84	Confident	69 Å²	69	54.4 Å²	54.4	35%	0.354	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.9	180	-54.6	172.3	0	0	0	109.2	G584 V625 R626	G584-I586 PolarHBondContact O-N 2.98Å; I586-V625 WeakPolarHBondContact CA-O 3.49Å; I586-R626 HydrophobicContact CG1-CG 4.33Å
587	V	87.1	Confident	84.3	Confident	15 Å²	15	55.7 Å²	55.7	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-48.6	177.2	173.4	0	0	0	0	110.4	I575 V577 Y585 F616 V625 T627 V661	I575-V587 HydrophobicContact CD1-CG1 4.47Å; I575-V587 HydrophobicContact CG2-CG1 3.76Å; I575-V587 WeakPolarHBondContact CG2-O 3.28Å; V577-V587 HydrophobicContact CG2-CB 4.25Å; V577-V587 HydrophobicContact CG2-CG1 3.71Å; V577-V587 HydrophobicContact CG2-CG2 4.04Å; Y585-V587 PolarHBondContact O-N 2.9Å; V587-F616 HydrophobicContact CG2-CD1 3.9Å; V587-F616 HydrophobicContact CG2-CE1 3.68Å; V587-V625 HydrophobicContact CB-CB 4.28Å; V587-V625 HydrophobicContact CB-CG1 4.07Å; V587-V625 HydrophobicContact CG1-CG1 4.44Å; V587-V625 HydrophobicContact CG2-CG1 4.42Å; V587-V625 PolarHBondContact N-O 3.13Å; V587-T627 HydrophobicContact CG2-CG2 4.23Å; V587-V661 HydrophobicContact CG1-CG1 4.13Å; V587-V661 HydrophobicContact CG1-CG2 4.14Å
588	T	88.7	Confident	84.8	Confident	25 Å²	25	57.9 Å²	57.9	15%	0.153	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	170.4	175.2	-166.8	0	0	0	0	109.4	I575 V590 V625 L659	I575-T588 HydrophobicContact CD1-CG2 3.57Å; T588-V590 HydrophobicContact CG2-CG2 4.09Å; T588-V625 HydrophobicContact CG2-CB 4.17Å; T588-V625 HydrophobicContact CG2-CG2 4.03Å; T588-V625 PolarHBondContact O-N 2.91Å; T588-L659 HydrophobicContact CG2-CD1 3.78Å
589	T	90.5	Very high	85.3	Confident	62 Å²	62	61 Å²	61	38%	0.38	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.4	162.8	-49.4	0	0	0	0	108	T622 E624	T589-T622 WeakPolarHBondContact CG2-O 3.21Å; T589-E624 HydrophobicContact CG2-CG 4.2Å
590	V	91.8	Very high	86.1	Confident	1 Å²	1	59 Å²	59	1%	0.006	33%	0.328	C	S	.	.			trans	-79.7	119.4	169.7	-177.7	0	0	0	0	107.5	I563 L565 T588 Y605 G623 V625 I643 V645 L659	I563-V590 HydrophobicContact CG2-CG1 4.11Å; L565-V590 CarbonylContact O-C 3.6Å; L565-V590 WeakPolarHBondContact O-CA 3.34Å; T588-V590 HydrophobicContact CG2-CG2 4.09Å; V590-Y605 HydrophobicContact CB-CD1 4.26Å; V590-Y605 HydrophobicContact CG1-CD1 4.01Å; V590-Y605 HydrophobicContact CG1-CE1 4.12Å; V590-Y605 VanDerWaalsContact O-CE1 3.29Å; V590-Y605 WeakPolarHBondContact O-CE1 3.4Å; V590-G623 PolarHBondContact N-O 2.78Å; V590-G623 WeakPolarHBondContact O-CA 3.38Å; V590-V625 HydrophobicContact CG2-CG2 4.11Å; V590-I643 HydrophobicContact CB-CG2 4.42Å; V590-I643 HydrophobicContact CG1-CG2 4.12Å; V590-I643 HydrophobicContact CG2-CG1 4.26Å; V590-I643 HydrophobicContact CG2-CG2 4.17Å; V590-V645 HydrophobicContact CG1-CG2 4.38Å; V590-L659 HydrophobicContact CG2-CD1 3.81Å
591	R	91.9	Very high	86.9	Confident	147 Å²	147	55.2 Å²	55.2	56%	0.555	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	175.7	-173.9	-179.7	177.5	175.9	0.3	109	V564 L565	V564-R591 HydrophobicContact CG2-CB 4.38Å; V564-R591 HydrophobicContact CG2-CG 4.2Å; V564-R591 VanDerWaalsContact CG2-O 3.27Å; V564-R591 WeakPolarHBondContact CG2-O 3.31Å; V564-R591 PolarHBondContact N-O 3.18Å; L565-R591 HydrophobicContact CB-CB 4.05Å; L565-R591 HydrophobicContact CD1-CB 4.35Å; L565-R591 PolarHBondContact N-O 3.02Å; L565-R591 PolarHBondContact O-N 2.8Å
592	A	91.4	Very high	87.9	Confident	7 Å²	7	59.7 Å²	59.7	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	168.1	167.7	0	0	0	0	0	111.1	V562 I563 L603 Y605 V645	V562-A592 CarbonylContact O-C 3.55Å; V562-A592 WeakPolarHBondContact O-CA 3.15Å; V562-A592 WeakPolarHBondContact O-CB 3.45Å; I563-A592 HydrophobicContact CG1-CB 4.18Å; A592-L603 HydrophobicContact CB-CD1 3.53Å; A592-Y605 HydrophobicContact CB-CE1 4.16Å; A592-Y605 PolarHBondContact N-OH 2.69Å; A592-V645 HydrophobicContact CB-CB 4.38Å; A592-V645 HydrophobicContact CB-CG1 3.81Å; A592-V645 HydrophobicContact CB-CG2 4.14Å
593	V	91.8	Very high	88.9	Confident	65 Å²	65	58.6 Å²	58.6	39%	0.394	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.5	173.4	177.4	0	0	0	0	107.2	V562 V564	V562-V593 PolarHBondContact N-O 3.27Å; V562-V593 PolarHBondContact O-N 2.72Å; V564-V593 HydrophobicContact CG1-CG2 4.25Å; V564-V593 HydrophobicContact CG2-CG2 3.95Å
594	D	92.9	Very high	89.5	Confident	23 Å²	23	55.9 Å²	55.9	12%	0.123	29%	0.293	C	S	.	.			trans	-112.7	159.9	165.5	-141.5	-65.8	0	0	0	110.2	N559 P561 D596 L603	N559-D594 WeakPolarHBondContact CB-OD1 3.37Å; P561-D594 WeakPolarHBondContact CA-OD2 3.28Å; P561-D594 VanDerWaalsContact CD-OD2 3.28Å; P561-D594 WeakPolarHBondContact CD-OD2 3.5Å; P561-D594 VanDerWaalsContact CG-OD2 3.27Å; P561-D594 WeakPolarHBondContact CG-OD2 2.95Å; P561-D594 VanDerWaalsContact N-OD2 3.16Å; D594-D596 PolarHBondContact OD1-N 2.97Å; D594-D596 VanDerWaalsContact OD1-N 3.11Å; D594-L603 HydrophobicContact CB-CD1 4.48Å; D594-L603 HydrophobicContact CB-CD2 4.09Å; D594-L603 HydrophobicContact CB-CG 4.48Å
595	N	91.3	Very high	90.1	Very high	93 Å²	93	55.1 Å²	55.1	50%	0.497	28%	0.279	S	S	.	.	S	Bend	trans	-96.8	-25.5	173.7	-60.4	-42.3	0	0	0	111.9	E524 N559	E524-N595 HydrophobicContact CG-CB 3.81Å; N559-N595 HydrophobicContact CB-CB 4.22Å; N559-N595 PolarHBondContact OD1-ND2 3.26Å; N559-N595 VanDerWaalsContact OD1-ND2 3.07Å
596	D	92.5	Very high	90.6	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.064	28%	0.278	C	S	.	.	S	Bend	trans	-68.8	174.1	-178.3	-62.1	-7.6	0	0	0	111.1	N557 D558 N559 D594 G601	N557-D596 WeakPolarHBondContact CA-OD2 3.28Å; D558-D596 PolarHBondContact N-OD2 2.86Å; N559-D596 VanDerWaalsContact CB-OD1 3.3Å; N559-D596 WeakPolarHBondContact CB-OD1 3.49Å; N559-D596 PolarHBondContact N-OD2 2.84Å; N559-D596 VanDerWaalsContact N-OD2 3.12Å; N559-D596 PolarHBondContact ND2-OD1 3.24Å; D594-D596 PolarHBondContact OD1-N 2.97Å; D594-D596 VanDerWaalsContact OD1-N 3.11Å; D596-G601 VanDerWaalsContact C-CA 3.49Å; D596-G601 WeakPolarHBondContact O-CA 3.2Å
597	Y	89.6	Confident	90.9	Very high	149 Å²	149	52.5 Å²	52.5	58%	0.584	27%	0.27	S	S	*	.			trans	-129.5	153.4	-165.6	178.4	-95.8	0	0	0	114.7	Y523 D555 E599 S600	Y523-Y597 VanDerWaalsContact CE1-CB 3.46Å; Y523-Y597 HydrophobicContact CE1-CD1 4.26Å; Y523-Y597 AromaticContact CE1-CG 3.91Å; Y523-Y597 HydrophobicContact CE1-CG 3.91Å; Y523-Y597 WeakPolarHBondContact OH-CD1 3.19Å; D555-Y597 WeakPolarHBondContact OD1-CA 3.26Å; D555-Y597 VanDerWaalsContact OD1-CB 3.28Å; D555-Y597 WeakPolarHBondContact OD1-CB 3.43Å; D555-Y597 PolarHBondContact OD1-N 2.86Å; Y597-E599 PolarHBondContact O-N 3.18Å; Y597-S600 WeakPolarHBondContact O-CB 3.4Å; Y597-S600 PolarHBondContact O-N 2.83Å
598	G	88.6	Confident	91	Very high	47 Å²	47	54.5 Å²	54.5	49%	0.485	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	-122.2	-178.4	0	0	0	0	0	111.2	R602	G598-R602 WeakPolarHBondContact O-CB 3.1Å
599	E	88.4	Confident	90.9	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-23.7	176.1	-57	-66.7	153.2	0	0	112.1	Y597 R602 H648	Y597-E599 PolarHBondContact O-N 3.18Å; E599-R602 WeakPolarHBondContact O-CB 3.2Å; E599-R602 PolarHBondContact O-N 3.07Å; E599-R602 IonicContact OE1-NH1 2.8Å; E599-R602 PolarHBondContact OE1-NH1 3.11Å; E599-R602 WeakPolarHBondContact OE2-CD 3.19Å; E599-R602 IonicContact OE2-CZ 3.66Å; E599-R602 IonicContact OE2-NE 3.89Å; E599-R602 IonicContact OE2-NH1 3.65Å; E599-R602 PolarHBondContact OE2-NH1 3.39Å; E599-H648 HydrophobicContact CB-CB 4.14Å; E599-H648 CarbonylContact O-C 3.55Å; E599-H648 WeakPolarHBondContact O-CA 3.37Å; E599-H648 WeakPolarHBondContact O-CB 3.46Å; E599-H648 PolarHBondContact O-N 2.76Å
600	S	87.8	Confident	90.5	Very high	18 Å²	18	55.9 Å²	55.9	13%	0.126	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-49.9	172.6	-46	0	0	0	0	110.2	D555 N557 Y597 R602 D647	D555-S600 WeakPolarHBondContact OD2-CB 3.17Å; D555-S600 PolarHBondContact OD2-OG 3.12Å; N557-S600 WeakPolarHBondContact OD1-CA 3.21Å; N557-S600 WeakPolarHBondContact OD1-CB 3.27Å; N557-S600 PolarHBondContact OD1-O 3.18Å; Y597-S600 WeakPolarHBondContact O-CB 3.4Å; Y597-S600 PolarHBondContact O-N 2.83Å; S600-R602 PolarHBondContact O-N 2.94Å; S600-D647 WeakPolarHBondContact O-CB 3.25Å
601	G	87.5	Confident	90.2	Very high	26 Å²	26	57.2 Å²	57.2	27%	0.268	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	5.9	173.1	0	0	0	0	0	116.2	D596	D596-G601 VanDerWaalsContact C-CA 3.49Å; D596-G601 WeakPolarHBondContact O-CA 3.2Å
602	R	91.9	Very high	89.5	Confident	123 Å²	123	58.5 Å²	58.5	46%	0.464	31%	0.314	S	S	.	.			trans	-98.7	109.9	-170.7	-177.2	-170.2	178.1	174.2	-1.6	111.4	G598 E599 S600 D647 H648	G598-R602 WeakPolarHBondContact O-CB 3.1Å; E599-R602 WeakPolarHBondContact O-CB 3.2Å; E599-R602 PolarHBondContact O-N 3.07Å; E599-R602 IonicContact OE1-NH1 2.8Å; E599-R602 PolarHBondContact OE1-NH1 3.11Å; E599-R602 WeakPolarHBondContact OE2-CD 3.19Å; E599-R602 IonicContact OE2-CZ 3.66Å; E599-R602 IonicContact OE2-NE 3.89Å; E599-R602 IonicContact OE2-NH1 3.65Å; E599-R602 PolarHBondContact OE2-NH1 3.39Å; S600-R602 PolarHBondContact O-N 2.94Å; R602-D647 CarbonylContact O-C 3.56Å; R602-D647 VanDerWaalsContact O-CA 3.31Å; R602-D647 WeakPolarHBondContact O-CA 3.28Å; R602-H648 HydrophobicContact CB-CB 4.45Å; R602-H648 PolarHBondContact O-CD2 3.09Å; R602-H648 VanDerWaalsContact O-CD2 3.22Å; R602-H648 PolarHBondContact O-N 2.7Å
603	L	93.1	Very high	88.8	Confident	26 Å²	26	64 Å²	64	14%	0.136	34%	0.339	C	S	.	.			trans	-91.7	138.5	-175.4	-53.9	-175	0	0	0	113.4	P561 A592 D594 Y605 V645 S646 D647	P561-L603 HydrophobicContact CB-CD1 4.33Å; P561-L603 HydrophobicContact CB-CD2 3.63Å; P561-L603 HydrophobicContact CG-CD2 3.53Å; A592-L603 HydrophobicContact CB-CD1 3.53Å; D594-L603 HydrophobicContact CB-CD1 4.48Å; D594-L603 HydrophobicContact CB-CD2 4.09Å; D594-L603 HydrophobicContact CB-CG 4.48Å; L603-Y605 HydrophobicContact CB-CE2 4.37Å; L603-V645 HydrophobicContact CB-CG1 4Å; L603-V645 HydrophobicContact CD1-CG1 4.12Å; L603-V645 HydrophobicContact CD2-CG1 4.2Å; L603-V645 HydrophobicContact CG-CG1 4.33Å; L603-S646 CarbonylContact C-O 3.5Å; L603-S646 WeakPolarHBondContact CA-O 3.3Å; L603-D647 HydrophobicContact CD2-CB 4.29Å
604	T	93.4	Very high	88.3	Confident	31 Å²	31	67.7 Å²	67.7	19%	0.19	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.5	161.7	40.3	0	0	0	0	112.3	P620 V645 S646 H648	T604-P620 VanDerWaalsContact CA-O 3.25Å; T604-P620 WeakPolarHBondContact CA-O 3.41Å; T604-P620 WeakPolarHBondContact CG2-O 3.27Å; T604-V645 WeakPolarHBondContact O-CA 3.47Å; T604-S646 PolarHBondContact N-O 3.47Å; T604-S646 PolarHBondContact O-N 2.78Å; T604-S646 PolarHBondContact O-OG 3.12Å; T604-S646 VanDerWaalsContact O-OG 3.13Å; T604-S646 PolarHBondContact OG1-OG 3.05Å; T604-S646 VanDerWaalsContact OG1-OG 3.09Å; T604-H648 WeakPolarHBondContact CG2-NE2 3.26Å; T604-H648 PolarHBondContact OG1-NE2 3.44Å
605	Y	93.6	Very high	87.7	Confident	19 Å²	19	67.1 Å²	67.1	8%	0.075	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.8	-173.8	-56.7	-95.3	0	0	0	110.6	V590 A592 L603 P620 V645	V590-Y605 HydrophobicContact CB-CD1 4.26Å; V590-Y605 HydrophobicContact CG1-CD1 4.01Å; V590-Y605 HydrophobicContact CG1-CE1 4.12Å; V590-Y605 VanDerWaalsContact O-CE1 3.29Å; V590-Y605 WeakPolarHBondContact O-CE1 3.4Å; A592-Y605 HydrophobicContact CB-CE1 4.16Å; A592-Y605 PolarHBondContact N-OH 2.69Å; L603-Y605 HydrophobicContact CB-CE2 4.37Å; Y605-P620 PolarHBondContact N-O 2.68Å; Y605-P620 WeakPolarHBondContact O-CA 3.45Å; Y605-V645 HydrophobicContact CD1-CG1 4.3Å; Y605-V645 HydrophobicContact CD1-CG2 3.59Å; Y605-V645 HydrophobicContact CE1-CG1 4.07Å; Y605-V645 HydrophobicContact CE1-CG2 3.72Å
606	E	93.6	Very high	87.5	Confident	75 Å²	75	62.9 Å²	62.9	35%	0.35	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.4	175.9	69.3	-178	173.3	0	0	111.4	I643 R644	E606-I643 WeakPolarHBondContact O-CA 3.11Å; E606-R644 HydrophobicContact CG-CB 3.8Å; E606-R644 HydrophobicContact CG-CG 4.37Å; E606-R644 PolarHBondContact N-O 3.2Å; E606-R644 PolarHBondContact O-N 2.75Å; E606-R644 VanDerWaalsContact OE1-CD 3.29Å; E606-R644 WeakPolarHBondContact OE1-CD 3.49Å; E606-R644 IonicContact OE1-CZ 2.82Å; E606-R644 IonicContact OE1-NE 2.7Å; E606-R644 IonicContact OE1-NH1 3.95Å; E606-R644 PolarHBondContact OE1-NH1 3.18Å
607	I	91.1	Very high	87.4	Confident	35 Å²	35	68.4 Å²	68.4	18%	0.179	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	101.3	164.7	-58.5	155.9	0	0	0	106	N611 F616 I618 L641 I643	I607-N611 HydrophobicContact CG2-CB 3.61Å; I607-F616 HydrophobicContact CD1-CB 4.02Å; I607-I618 HydrophobicContact CD1-CB 4.01Å; I607-I618 HydrophobicContact CD1-CG2 4.08Å; I607-I618 HydrophobicContact CG1-CB 3.97Å; I607-I618 HydrophobicContact CG1-CG2 3.76Å; I607-L641 HydrophobicContact CG2-CB 4.4Å; I607-L641 HydrophobicContact CG2-CD2 4.3Å; I607-I643 HydrophobicContact CB-CD1 4.23Å; I607-I643 HydrophobicContact CG1-CD1 3.52Å; I607-I643 HydrophobicContact CG2-CD1 4.35Å
608	S	88.8	Confident	87.5	Confident	57 Å²	57	62.1 Å²	62.1	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-24	-173.7	56.4	0	0	0	0	113.8	I642	S608-I642 PolarHBondContact N-O 3.21Å; S608-I642 WeakPolarHBondContact OG-CG2 3.26Å; S608-I642 PolarHBondContact OG-O 2.87Å; S608-I642 VanDerWaalsContact OG-O 3.12Å
609	D	86.8	Confident	87.6	Confident	90 Å²	90	62.2 Å²	62.2	48%	0.481	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	163.5	-179.1	-160.2	-0.1	0	0	0	111.3	I642	D609-I642 HydrophobicContact CB-CB 3.94Å; D609-I642 HydrophobicContact CB-CD1 3.95Å; D609-I642 HydrophobicContact CB-CG1 4.02Å; D609-I642 PolarHBondContact N-O 3.26Å; D609-I642 PolarHBondContact O-N 3.01Å
610	G	82.9	Confident	87.7	Confident	26 Å²	26	60.7 Å²	60.7	27%	0.268	32%	0.315	S	S	.	.	S	Bend	trans	84.3	6.3	175.3	0	0	0	0	0	116.1	V639 E640	G610-V639 VanDerWaalsContact O-CG1 3.32Å; G610-V639 WeakPolarHBondContact O-CG1 3.24Å; G610-E640 WeakPolarHBondContact CA-O 3.37Å
611	N	85.1	Confident	87.8	Confident	28 Å²	28	65.1 Å²	65.1	15%	0.15	34%	0.341	C	S	.	.			trans	-122.4	38.2	-176.2	-168.7	38.1	0	0	0	112.4	I607 E613 H614 L615 F616 L641	I607-N611 HydrophobicContact CG2-CB 3.61Å; N611-E613 PolarHBondContact O-N 2.85Å; N611-H614 PolarHBondContact O-N 3.05Å; N611-H614 PolarHBondContact O-ND1 2.9Å; N611-L615 PolarHBondContact OD1-N 3.36Å; N611-F616 PolarHBondContact ND2-O 2.89Å; N611-F616 PolarHBondContact OD1-N 2.86Å; N611-L641 HydrophobicContact CB-CD2 4.05Å
612	E	78.6	Confident	87.9	Confident	174 Å²	174	66.9 Å²	66.9	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	-177.3	-59.6	-170.5	154.2	0	0	113	H614	E612-H614 VanDerWaalsContact C-N 3.33Å
613	E	75	Confident	87.8	Confident	124 Å²	124	61 Å²	61	58%	0.579	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5.4	177.7	-67.4	-175.9	-170.5	0	0	113.7	N611 L615 V635	N611-E613 PolarHBondContact O-N 2.85Å; E613-L615 HydrophobicContact CB-CD1 3.85Å; E613-L615 HydrophobicContact CB-CD2 4.13Å; E613-L615 HydrophobicContact CB-CG 3.69Å; E613-L615 PolarHBondContact O-N 3.04Å; E613-V635 WeakPolarHBondContact OE2-CG1 3.48Å; E613-V635 WeakPolarHBondContact OE2-CG2 3.32Å
614	H	82.4	Confident	87.7	Confident	142 Å²	142	62.3 Å²	62.3	66%	0.657	33%	0.33	S	S	*	.			trans	51.4	39.4	-179.3	-57.8	-40.6	0	0	0	114.2	N611 E612	N611-H614 PolarHBondContact O-N 3.05Å; N611-H614 PolarHBondContact O-ND1 2.9Å; E612-H614 VanDerWaalsContact C-N 3.33Å
615	L	80.3	Confident	87.6	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	32%	0.321	C	S	.	.			trans	-77.1	-26.3	-175.9	-60.5	168.1	0	0	0	112.5	N611 E613 A628 H629 W632 V635	N611-L615 PolarHBondContact OD1-N 3.36Å; E613-L615 HydrophobicContact CB-CD1 3.85Å; E613-L615 HydrophobicContact CB-CD2 4.13Å; E613-L615 HydrophobicContact CB-CG 3.69Å; E613-L615 PolarHBondContact O-N 3.04Å; L615-A628 PolarHBondContact O-N 3.48Å; L615-H629 HydrophobicContact CD2-CB 4.23Å; L615-W632 HydrophobicContact CB-CE3 4Å; L615-W632 HydrophobicContact CB-CZ3 4.24Å; L615-W632 HydrophobicContact CD1-CE3 3.88Å; L615-W632 HydrophobicContact CD1-CZ3 3.77Å; L615-W632 HydrophobicContact CG-CE3 4.37Å; L615-V635 HydrophobicContact CD1-CB 4.18Å; L615-V635 HydrophobicContact CD1-CG1 3.76Å; L615-V635 HydrophobicContact CD1-CG2 3.88Å; L615-V635 HydrophobicContact CD2-CG2 4.02Å
616	F	87.6	Confident	87.3	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.022	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.3	177.5	-57.8	-79.5	0	0	0	112	V587 I607 N611 V625 R626 T627 W632 V639 L641 V661	V587-F616 HydrophobicContact CG2-CD1 3.9Å; V587-F616 HydrophobicContact CG2-CE1 3.68Å; I607-F616 HydrophobicContact CD1-CB 4.02Å; N611-F616 PolarHBondContact ND2-O 2.89Å; N611-F616 PolarHBondContact OD1-N 2.86Å; F616-V625 HydrophobicContact CB-CG1 4.32Å; F616-V625 HydrophobicContact CD1-CG1 4.31Å; F616-R626 CarbonylContact C-O 3.47Å; F616-R626 WeakPolarHBondContact CA-O 3.37Å; F616-T627 HydrophobicContact CD1-CG2 4.47Å; F616-T627 HydrophobicContact CE1-CG2 4.18Å; F616-W632 HydrophobicContact CE2-CE3 4.08Å; F616-W632 AromaticContact CE2-CH2 3.66Å; F616-W632 HydrophobicContact CE2-CH2 3.66Å; F616-W632 AromaticContact CE2-CZ3 3.38Å; F616-W632 HydrophobicContact CE2-CZ3 3.38Å; F616-W632 HydrophobicContact CZ-CD2 4.26Å; F616-W632 AromaticContact CZ-CE3 3.83Å; F616-W632 HydrophobicContact CZ-CE3 3.83Å; F616-W632 AromaticContact CZ-CH2 3.39Å; F616-W632 HydrophobicContact CZ-CH2 3.39Å; F616-W632 AromaticContact CZ-CZ2 3.82Å; F616-W632 HydrophobicContact CZ-CZ2 3.82Å; F616-W632 AromaticContact CZ-CZ3 3.38Å; F616-W632 HydrophobicContact CZ-CZ3 3.38Å; F616-V639 HydrophobicContact CE2-CB 4.43Å; F616-V639 HydrophobicContact CE2-CG1 4.32Å; F616-L641 HydrophobicContact CB-CD1 4.23Å; F616-L641 HydrophobicContact CD2-CD1 3.67Å; F616-L641 HydrophobicContact CD2-CD2 3.71Å; F616-L641 HydrophobicContact CD2-CG 4.2Å; F616-L641 HydrophobicContact CE2-CD1 4.11Å; F616-L641 HydrophobicContact CE2-CD2 4.19Å; F616-L641 HydrophobicContact CE2-CG 4.46Å; F616-L641 HydrophobicContact CG-CD1 3.91Å; F616-V661 HydrophobicContact CE1-CG1 4.26Å; F616-V661 HydrophobicContact CZ-CB 4.19Å; F616-V661 HydrophobicContact CZ-CG1 3.79Å; F616-V661 HydrophobicContact CZ-CG2 4.34Å
617	E	88.8	Confident	86.9	Confident	128 Å²	128	60 Å²	60	60%	0.598	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.2	168.8	-179.3	173.1	-152.2	0	0	107.6	V625 R626 A628	E617-V625 CarbonylContact O-C 3.59Å; E617-V625 WeakPolarHBondContact O-CA 3.36Å; E617-R626 PolarHBondContact N-O 3.05Å; E617-R626 PolarHBondContact O-N 3.01Å; E617-A628 HydrophobicContact CB-CB 4.02Å
618	I	91.9	Very high	86.5	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.087	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133	169.4	-167.7	167.3	0	0	0	108.4	I607 P620 E624 V625 I643	I607-I618 HydrophobicContact CD1-CB 4.01Å; I607-I618 HydrophobicContact CD1-CG2 4.08Å; I607-I618 HydrophobicContact CG1-CB 3.97Å; I607-I618 HydrophobicContact CG1-CG2 3.76Å; I618-P620 WeakPolarHBondContact O-CD 3.44Å; I618-E624 WeakPolarHBondContact CA-O 3.2Å; I618-V625 HydrophobicContact CB-CG2 4.38Å; I618-V625 HydrophobicContact CD1-CG2 3.76Å; I618-V625 HydrophobicContact CG1-CG2 3.93Å; I618-I643 HydrophobicContact CD1-CD1 4.29Å; I618-I643 HydrophobicContact CD1-CG2 3.79Å
619	D	91.6	Very high	85.7	Confident	49 Å²	49	61.5 Å²	61.5	26%	0.262	32%	0.321	S	S	.	.			trans	-68	118	168.6	177.9	-30.1	0	0	0	108.6	V621 T622 G623 E624	D619-V621 PolarHBondContact O-N 3.22Å; D619-V621 VanDerWaalsContact O-N 3.14Å; D619-V621 WeakPolarHBondContact OD1-CA 3.49Å; D619-V621 PolarHBondContact OD1-N 2.81Å; D619-T622 WeakPolarHBondContact CB-OG1 3.46Å; D619-T622 PolarHBondContact OD1-N 2.86Å; D619-T622 WeakPolarHBondContact OD2-CB 3.29Å; D619-T622 VanDerWaalsContact OD2-CG2 3.27Å; D619-T622 WeakPolarHBondContact OD2-CG2 3.46Å; D619-T622 PolarHBondContact OD2-OG1 2.69Å; D619-G623 WeakPolarHBondContact O-CA 3.47Å; D619-G623 PolarHBondContact O-N 2.92Å; D619-E624 HydrophobicContact CB-CB 4.42Å; D619-E624 PolarHBondContact N-O 3.32Å
620	P	90.7	Very high	84.6	Confident	71 Å²	71	61 Å²	61	46%	0.461	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.9	-173.3	29.2	-35.6	0	0	0	113.9	T604 Y605 I618	T604-P620 VanDerWaalsContact CA-O 3.25Å; T604-P620 WeakPolarHBondContact CA-O 3.41Å; T604-P620 WeakPolarHBondContact CG2-O 3.27Å; Y605-P620 PolarHBondContact N-O 2.68Å; Y605-P620 WeakPolarHBondContact O-CA 3.45Å; I618-P620 WeakPolarHBondContact O-CD 3.44Å
621	V	89.9	Confident	83.5	Confident	111 Å²	111	65.8 Å²	65.8	67%	0.673	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-40.9	179.5	-177.3	0	0	0	0	111.7	D619	D619-V621 PolarHBondContact O-N 3.22Å; D619-V621 VanDerWaalsContact O-N 3.14Å; D619-V621 WeakPolarHBondContact OD1-CA 3.49Å; D619-V621 PolarHBondContact OD1-N 2.81Å
622	T	89.3	Confident	82.5	Confident	64 Å²	64	64.8 Å²	64.8	39%	0.393	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-17.3	-177.7	71.1	0	0	0	0	114.3	T589 D619 E624	T589-T622 WeakPolarHBondContact CG2-O 3.21Å; D619-T622 WeakPolarHBondContact CB-OG1 3.46Å; D619-T622 PolarHBondContact OD1-N 2.86Å; D619-T622 WeakPolarHBondContact OD2-CB 3.29Å; D619-T622 VanDerWaalsContact OD2-CG2 3.27Å; D619-T622 WeakPolarHBondContact OD2-CG2 3.46Å; D619-T622 PolarHBondContact OD2-OG1 2.69Å; T622-E624 PolarHBondContact O-N 3Å; T622-E624 PolarHBondContact OG1-N 3.48Å
623	G	89.3	Confident	81.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.			trans	70.5	10.2	-176.7	0	0	0	0	0	114.3	V590 D619 V625	V590-G623 PolarHBondContact N-O 2.78Å; V590-G623 WeakPolarHBondContact O-CA 3.38Å; D619-G623 WeakPolarHBondContact O-CA 3.47Å; D619-G623 PolarHBondContact O-N 2.92Å; G623-V625 PolarHBondContact O-N 3.07Å
624	E	91.6	Very high	80.7	Confident	52 Å²	52	60.8 Å²	60.8	24%	0.243	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	114.8	172.4	-70.6	-171.8	154.7	0	0	110.4	T589 I618 D619 T622 R626	T589-E624 HydrophobicContact CG2-CG 4.2Å; I618-E624 WeakPolarHBondContact CA-O 3.2Å; D619-E624 HydrophobicContact CB-CB 4.42Å; D619-E624 PolarHBondContact N-O 3.32Å; T622-E624 PolarHBondContact O-N 3Å; T622-E624 PolarHBondContact OG1-N 3.48Å; E624-R626 IonicContact OE2-CZ 3.88Å; E624-R626 IonicContact OE2-NH1 3.7Å; E624-R626 PolarHBondContact OE2-NH1 2.95Å; E624-R626 IonicContact OE2-NH2 2.99Å; E624-R626 PolarHBondContact OE2-NH2 2.9Å
625	V	90.2	Very high	79.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.5	172.2	-178.5	0	0	0	0	108.4	I586 V587 T588 V590 F616 E617 I618 G623 L641 I643 L659	I586-V625 WeakPolarHBondContact CA-O 3.49Å; V587-V625 HydrophobicContact CB-CB 4.28Å; V587-V625 HydrophobicContact CB-CG1 4.07Å; V587-V625 HydrophobicContact CG1-CG1 4.44Å; V587-V625 HydrophobicContact CG2-CG1 4.42Å; V587-V625 PolarHBondContact N-O 3.13Å; T588-V625 HydrophobicContact CG2-CB 4.17Å; T588-V625 HydrophobicContact CG2-CG2 4.03Å; T588-V625 PolarHBondContact O-N 2.91Å; V590-V625 HydrophobicContact CG2-CG2 4.11Å; F616-V625 HydrophobicContact CB-CG1 4.32Å; F616-V625 HydrophobicContact CD1-CG1 4.31Å; E617-V625 CarbonylContact O-C 3.59Å; E617-V625 WeakPolarHBondContact O-CA 3.36Å; I618-V625 HydrophobicContact CB-CG2 4.38Å; I618-V625 HydrophobicContact CD1-CG2 3.76Å; I618-V625 HydrophobicContact CG1-CG2 3.93Å; G623-V625 PolarHBondContact O-N 3.07Å; V625-L641 HydrophobicContact CG1-CD1 4.39Å; V625-I643 HydrophobicContact CG2-CD1 4.43Å; V625-L659 HydrophobicContact CG2-CD1 4.45Å
626	R	88.7	Confident	78.7	Confident	73 Å²	73	57.9 Å²	57.9	28%	0.275	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.2	-179.6	-77.6	-175.3	164	87.4	14.6	112.5	G584 Y585 I586 F616 E617 E624	G584-R626 PolarHBondContact O-NE 2.79Å; Y585-R626 CarbonylContact O-C 3.56Å; Y585-R626 VanDerWaalsContact O-CA 3.26Å; Y585-R626 WeakPolarHBondContact O-CA 3.5Å; I586-R626 HydrophobicContact CG1-CG 4.33Å; F616-R626 CarbonylContact C-O 3.47Å; F616-R626 WeakPolarHBondContact CA-O 3.37Å; E617-R626 PolarHBondContact N-O 3.05Å; E617-R626 PolarHBondContact O-N 3.01Å; E624-R626 IonicContact OE2-CZ 3.88Å; E624-R626 IonicContact OE2-NH1 3.7Å; E624-R626 PolarHBondContact OE2-NH1 2.95Å; E624-R626 IonicContact OE2-NH2 2.99Å; E624-R626 PolarHBondContact OE2-NH2 2.9Å
627	T	85.3	Confident	77.8	Confident	3 Å²	3	61 Å²	61	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.9	162.5	50.4	0	0	0	0	110.4	V581 G582 G584 Y585 V587 F616	V581-T627 HydrophobicContact CG2-CG2 4.03Å; G582-T627 PolarHBondContact O-OG1 2.94Å; G584-T627 PolarHBondContact N-O 3.23Å; G584-T627 PolarHBondContact N-OG1 3.41Å; Y585-T627 WeakPolarHBondContact CB-OG1 3.33Å; Y585-T627 PolarHBondContact N-OG1 2.89Å; Y585-T627 VanDerWaalsContact N-OG1 3.09Å; Y585-T627 PolarHBondContact O-N 3.12Å; V587-T627 HydrophobicContact CG2-CG2 4.23Å; F616-T627 HydrophobicContact CD1-CG2 4.47Å; F616-T627 HydrophobicContact CE1-CG2 4.18Å
628	A	81.3	Confident	77.3	Confident	33 Å²	33	58.7 Å²	58.7	27%	0.273	33%	0.325	S	S	.	.			trans	-96.7	-32.9	-178.3	0	0	0	0	0	112.9	V583 L615 E617	V583-A628 WeakPolarHBondContact CG1-O 3.44Å; L615-A628 PolarHBondContact O-N 3.48Å; E617-A628 HydrophobicContact CB-CB 4.02Å
629	H	73.5	Confident	76.9	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.426	33%	0.326	S	S	.	.			trans	-114.6	137.3	-173.1	-156.3	-115	0	0	0	112.6	L615 F631	L615-H629 HydrophobicContact CD2-CB 4.23Å; H629-F631 AromaticContact CE1-CD2 3.79Å; H629-F631 PolarHBondContact O-N 2.87Å
630	P	62.4	Low	76.6	Confident	79 Å²	79	60.8 Å²	60.8	51%	0.513	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.5	-175.8	28.6	-33.6	0	0	0	114.6	V583	V583-P630 HydrophobicContact CG2-CB 3.9Å; V583-P630 HydrophobicContact CG2-CG 4.27Å
631	F	60.4	Low	76.6	Confident	126 Å²	126	57.4 Å²	57.4	55%	0.553	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	31.6	-179.1	-68.6	-84.5	0	0	0	113.4	H629 D633 D634	H629-F631 AromaticContact CE1-CD2 3.79Å; H629-F631 PolarHBondContact O-N 2.87Å; F631-D633 PolarHBondContact O-N 2.88Å; F631-D634 PolarHBondContact O-N 2.99Å
632	W	63.8	Low	76.6	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.027	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.7	-23.2	169.2	175.8	-110.3	0	0	0	113.1	L615 F616 D634 V639 V661 A663	L615-W632 HydrophobicContact CB-CE3 4Å; L615-W632 HydrophobicContact CB-CZ3 4.24Å; L615-W632 HydrophobicContact CD1-CE3 3.88Å; L615-W632 HydrophobicContact CD1-CZ3 3.77Å; L615-W632 HydrophobicContact CG-CE3 4.37Å; F616-W632 HydrophobicContact CE2-CE3 4.08Å; F616-W632 AromaticContact CE2-CH2 3.66Å; F616-W632 HydrophobicContact CE2-CH2 3.66Å; F616-W632 AromaticContact CE2-CZ3 3.38Å; F616-W632 HydrophobicContact CE2-CZ3 3.38Å; F616-W632 HydrophobicContact CZ-CD2 4.26Å; F616-W632 AromaticContact CZ-CE3 3.83Å; F616-W632 HydrophobicContact CZ-CE3 3.83Å; F616-W632 AromaticContact CZ-CH2 3.39Å; F616-W632 HydrophobicContact CZ-CH2 3.39Å; F616-W632 AromaticContact CZ-CZ2 3.82Å; F616-W632 HydrophobicContact CZ-CZ2 3.82Å; F616-W632 AromaticContact CZ-CZ3 3.38Å; F616-W632 HydrophobicContact CZ-CZ3 3.38Å; W632-D634 VanDerWaalsContact C-N 3.31Å; W632-D634 PolarHBondContact O-N 3.22Å; W632-V639 HydrophobicContact CH2-CB 3.92Å; W632-V639 HydrophobicContact CH2-CG2 3.58Å; W632-V639 HydrophobicContact CZ3-CB 4.28Å; W632-V639 HydrophobicContact CZ3-CG2 3.69Å; W632-V661 HydrophobicContact CH2-CG1 4.49Å; W632-V661 HydrophobicContact CZ2-CG1 4.19Å; W632-A663 HydrophobicContact CZ2-CB 4.34Å
633	D	58.2	Low	76.7	Confident	81 Å²	81	51.7 Å²	51.7	43%	0.433	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61	-31.3	177.7	-96.2	-47	0	0	0	114.5	R579 F631	R579-D633 WeakPolarHBondContact CB-OD1 3.29Å; R579-D633 PolarHBondContact NH1-O 3.15Å; F631-D633 PolarHBondContact O-N 2.88Å
634	D	57.5	Low	76.9	Confident	133 Å²	133	55.8 Å²	55.8	71%	0.711	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-91.4	-5.7	-171.1	-72.1	-48.7	0	0	0	114.3	F631 W632	F631-D634 PolarHBondContact O-N 2.99Å; W632-D634 VanDerWaalsContact C-N 3.31Å; W632-D634 PolarHBondContact O-N 3.22Å
635	V	60.1	Low	77	Confident	28 Å²	28	53.3 Å²	53.3	17%	0.17	28%	0.279	C	S	.	.	S	Bend	trans	-94.6	173.4	-172.6	-168.5	0	0	0	0	111.9	E613 L615	E613-V635 WeakPolarHBondContact OE2-CG1 3.48Å; E613-V635 WeakPolarHBondContact OE2-CG2 3.32Å; L615-V635 HydrophobicContact CD1-CB 4.18Å; L615-V635 HydrophobicContact CD1-CG1 3.76Å; L615-V635 HydrophobicContact CD1-CG2 3.88Å; L615-V635 HydrophobicContact CD2-CG2 4.02Å
636	S	61.2	Low	77.1	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	29%	0.285	S	S	.	.			trans	-52.6	141.4	177.1	53.9	0	0	0	0	112.4	I638	S636-I638 PolarHBondContact O-N 2.81Å; S636-I638 PolarHBondContact OG-O 2.8Å
637	P	67.9	Low	77.3	Confident	72 Å²	72	50.9 Å²	50.9	47%	0.468	27%	0.272	S	S	.	.	S	Bend	trans	-67.5	-4	-176.3	29	-36.8	0	0	0	114.4	A663	P637-A663 PolarHBondContact O-N 3.32Å
638	I	78.6	Confident	77.6	Confident	78 Å²	78	54.1 Å²	54.1	40%	0.4	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.9	176.7	-51.9	-178.6	0	0	0	106.4	S636 E640 I660 V661 K662	S636-I638 PolarHBondContact O-N 2.81Å; S636-I638 PolarHBondContact OG-O 2.8Å; I638-E640 HydrophobicContact CG2-CG 4.47Å; I638-I660 HydrophobicContact CG2-CG2 3.56Å; I638-V661 WeakPolarHBondContact CA-O 3.13Å; I638-K662 HydrophobicContact CG1-CG 4.26Å; I638-K662 HydrophobicContact CG2-CG 4.34Å
639	V	82.9	Confident	77.9	Confident	17 Å²	17	52.7 Å²	52.7	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.8	164.4	173.1	0	0	0	0	108.1	G610 F616 W632 L641 V661	G610-V639 VanDerWaalsContact O-CG1 3.32Å; G610-V639 WeakPolarHBondContact O-CG1 3.24Å; F616-V639 HydrophobicContact CE2-CB 4.43Å; F616-V639 HydrophobicContact CE2-CG1 4.32Å; W632-V639 HydrophobicContact CH2-CB 3.92Å; W632-V639 HydrophobicContact CH2-CG2 3.58Å; W632-V639 HydrophobicContact CZ3-CB 4.28Å; W632-V639 HydrophobicContact CZ3-CG2 3.69Å; V639-L641 HydrophobicContact CG1-CD2 3.73Å; V639-L641 HydrophobicContact CG1-CG 4.33Å; V639-V661 PolarHBondContact N-O 3.07Å; V639-V661 PolarHBondContact O-N 3.04Å
640	E	86.9	Confident	78.5	Confident	94 Å²	94	57.4 Å²	57.4	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	100.5	179	-60.9	-165.9	-156.6	0	0	109.1	G610 I638 R658 L659 I660	G610-E640 WeakPolarHBondContact CA-O 3.37Å; I638-E640 HydrophobicContact CG2-CG 4.47Å; E640-R658 HydrophobicContact CB-CG 4.17Å; E640-R658 WeakPolarHBondContact OE2-CD 3.16Å; E640-R658 IonicContact OE2-CZ 2.67Å; E640-R658 IonicContact OE2-NE 2.78Å; E640-R658 PolarHBondContact OE2-NE 3.48Å; E640-L659 WeakPolarHBondContact CA-O 3.02Å; E640-I660 HydrophobicContact CG-CG1 4.14Å; E640-I660 HydrophobicContact CG-CG2 4.28Å
641	L	89.2	Confident	79.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.1	177.1	-52.8	175	0	0	0	109.2	I607 N611 F616 V625 V639 I643 R658 L659 V661	I607-L641 HydrophobicContact CG2-CB 4.4Å; I607-L641 HydrophobicContact CG2-CD2 4.3Å; N611-L641 HydrophobicContact CB-CD2 4.05Å; F616-L641 HydrophobicContact CB-CD1 4.23Å; F616-L641 HydrophobicContact CD2-CD1 3.67Å; F616-L641 HydrophobicContact CD2-CD2 3.71Å; F616-L641 HydrophobicContact CD2-CG 4.2Å; F616-L641 HydrophobicContact CE2-CD1 4.11Å; F616-L641 HydrophobicContact CE2-CD2 4.19Å; F616-L641 HydrophobicContact CE2-CG 4.46Å; F616-L641 HydrophobicContact CG-CD1 3.91Å; V625-L641 HydrophobicContact CG1-CD1 4.39Å; V639-L641 HydrophobicContact CG1-CD2 3.73Å; V639-L641 HydrophobicContact CG1-CG 4.33Å; L641-I643 HydrophobicContact CB-CD1 4.12Å; L641-R658 CarbonylContact O-C 3.51Å; L641-R658 WeakPolarHBondContact O-CA 3.3Å; L641-L659 HydrophobicContact CB-CB 4.36Å; L641-L659 PolarHBondContact N-O 3.25Å; L641-L659 PolarHBondContact O-N 2.97Å; L641-V661 HydrophobicContact CD1-CG2 3.94Å; L641-V661 HydrophobicContact CG-CG2 4.34Å
642	I	91	Very high	81.2	Confident	54 Å²	54	56.1 Å²	56.1	28%	0.277	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.4	164.7	-53.9	-173.7	0	0	0	107	S608 D609 A656	S608-I642 PolarHBondContact N-O 3.21Å; S608-I642 WeakPolarHBondContact OG-CG2 3.26Å; S608-I642 PolarHBondContact OG-O 2.87Å; S608-I642 VanDerWaalsContact OG-O 3.12Å; D609-I642 HydrophobicContact CB-CB 3.94Å; D609-I642 HydrophobicContact CB-CD1 3.95Å; D609-I642 HydrophobicContact CB-CG1 4.02Å; D609-I642 PolarHBondContact N-O 3.26Å; D609-I642 PolarHBondContact O-N 3.01Å; I642-A656 HydrophobicContact CG2-CB 4.05Å
643	I	91.9	Very high	82.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.2	170.5	-51.5	-56.1	0	0	0	107.7	V590 E606 I607 I618 V625 L641 A656 A657 L659	V590-I643 HydrophobicContact CB-CG2 4.42Å; V590-I643 HydrophobicContact CG1-CG2 4.12Å; V590-I643 HydrophobicContact CG2-CG1 4.26Å; V590-I643 HydrophobicContact CG2-CG2 4.17Å; E606-I643 WeakPolarHBondContact O-CA 3.11Å; I607-I643 HydrophobicContact CB-CD1 4.23Å; I607-I643 HydrophobicContact CG1-CD1 3.52Å; I607-I643 HydrophobicContact CG2-CD1 4.35Å; I618-I643 HydrophobicContact CD1-CD1 4.29Å; I618-I643 HydrophobicContact CD1-CG2 3.79Å; V625-I643 HydrophobicContact CG2-CD1 4.43Å; L641-I643 HydrophobicContact CB-CD1 4.12Å; I643-A656 CarbonylContact O-C 3.54Å; I643-A656 VanDerWaalsContact O-CA 3.24Å; I643-A656 WeakPolarHBondContact O-CA 3.44Å; I643-A657 PolarHBondContact N-O 2.96Å; I643-A657 PolarHBondContact O-N 2.95Å; I643-L659 HydrophobicContact CD1-CD1 4.2Å; I643-L659 HydrophobicContact CG1-CD1 3.47Å; I643-L659 VanDerWaalsContact CG1-CD1 3.47Å; I643-L659 HydrophobicContact CG1-CG 3.72Å
644	R	92.6	Very high	84.2	Confident	87 Å²	87	56.1 Å²	56.1	33%	0.328	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.8	174.5	-178.6	165.8	177.3	-112.7	6.5	109.1	E606 T654 A655	E606-R644 HydrophobicContact CG-CB 3.8Å; E606-R644 HydrophobicContact CG-CG 4.37Å; E606-R644 PolarHBondContact N-O 3.2Å; E606-R644 PolarHBondContact O-N 2.75Å; E606-R644 VanDerWaalsContact OE1-CD 3.29Å; E606-R644 WeakPolarHBondContact OE1-CD 3.49Å; E606-R644 IonicContact OE1-CZ 2.82Å; E606-R644 IonicContact OE1-NE 2.7Å; E606-R644 IonicContact OE1-NH1 3.95Å; E606-R644 PolarHBondContact OE1-NH1 3.18Å; R644-T654 PolarHBondContact NE-OG1 2.66Å; R644-T654 PolarHBondContact NH2-OG1 3.06Å; R644-A655 WeakPolarHBondContact CA-O 3.36Å
645	V	93.6	Very high	85.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.5	171	-174.4	0	0	0	0	107.3	P561 I563 V590 A592 L603 T604 Y605 T654 A655	P561-V645 HydrophobicContact CB-CB 4.36Å; P561-V645 HydrophobicContact CB-CG1 3.9Å; I563-V645 HydrophobicContact CD1-CG2 3.91Å; I563-V645 HydrophobicContact CG1-CG2 3.77Å; V590-V645 HydrophobicContact CG1-CG2 4.38Å; A592-V645 HydrophobicContact CB-CB 4.38Å; A592-V645 HydrophobicContact CB-CG1 3.81Å; A592-V645 HydrophobicContact CB-CG2 4.14Å; L603-V645 HydrophobicContact CB-CG1 4Å; L603-V645 HydrophobicContact CD1-CG1 4.12Å; L603-V645 HydrophobicContact CD2-CG1 4.2Å; L603-V645 HydrophobicContact CG-CG1 4.33Å; T604-V645 WeakPolarHBondContact O-CA 3.47Å; Y605-V645 HydrophobicContact CD1-CG1 4.3Å; Y605-V645 HydrophobicContact CD1-CG2 3.59Å; Y605-V645 HydrophobicContact CE1-CG1 4.07Å; Y605-V645 HydrophobicContact CE1-CG2 3.72Å; V645-T654 CarbonylContact O-C 3.5Å; V645-T654 WeakPolarHBondContact O-CA 2.99Å; V645-T654 WeakPolarHBondContact O-CB 3.36Å; V645-A655 PolarHBondContact N-O 2.89Å; V645-A655 PolarHBondContact O-N 2.84Å
646	S	92.4	Very high	87.3	Confident	18 Å²	18	52 Å²	52	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.5	-178.6	46	0	0	0	0	110.3	L603 T604	L603-S646 CarbonylContact C-O 3.5Å; L603-S646 WeakPolarHBondContact CA-O 3.3Å; T604-S646 PolarHBondContact N-O 3.47Å; T604-S646 PolarHBondContact O-N 2.78Å; T604-S646 PolarHBondContact O-OG 3.12Å; T604-S646 VanDerWaalsContact O-OG 3.13Å; T604-S646 PolarHBondContact OG1-OG 3.05Å; T604-S646 VanDerWaalsContact OG1-OG 3.09Å
647	D	93.4	Very high	88.7	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	27%	0.268	C	S	.	.			trans	-76.5	176.1	162.3	63.7	52.2	0	0	0	112.1	N557 P561 S600 R602 L603 G649 T652 L653	N557-D647 PolarHBondContact ND2-OD2 3.37Å; N557-D647 VanDerWaalsContact OD1-CG 3.25Å; N557-D647 PolarHBondContact OD1-OD2 3.42Å; P561-D647 HydrophobicContact CG-CB 4.21Å; S600-D647 WeakPolarHBondContact O-CB 3.25Å; R602-D647 CarbonylContact O-C 3.56Å; R602-D647 VanDerWaalsContact O-CA 3.31Å; R602-D647 WeakPolarHBondContact O-CA 3.28Å; L603-D647 HydrophobicContact CD2-CB 4.29Å; D647-G649 WeakPolarHBondContact OD1-CA 3.33Å; D647-G649 PolarHBondContact OD1-N 2.85Å; D647-T652 WeakPolarHBondContact OD1-CA 3.47Å; D647-L653 VanDerWaalsContact CG-N 3.33Å; D647-L653 PolarHBondContact N-O 3.02Å; D647-L653 PolarHBondContact OD1-N 3.25Å; D647-L653 WeakPolarHBondContact OD2-CA 3.41Å; D647-L653 WeakPolarHBondContact OD2-CB 3.22Å; D647-L653 PolarHBondContact OD2-N 2.93Å
648	H	90.6	Very high	89.8	Confident	71 Å²	71	50.4 Å²	50.4	33%	0.329	26%	0.263	S	S	.	.	S	Bend	trans	-107.2	18.7	171.6	-72.7	-125.5	0	0	0	111.6	E599 R602 T604	E599-H648 HydrophobicContact CB-CB 4.14Å; E599-H648 CarbonylContact O-C 3.55Å; E599-H648 WeakPolarHBondContact O-CA 3.37Å; E599-H648 WeakPolarHBondContact O-CB 3.46Å; E599-H648 PolarHBondContact O-N 2.76Å; R602-H648 HydrophobicContact CB-CB 4.45Å; R602-H648 PolarHBondContact O-CD2 3.09Å; R602-H648 VanDerWaalsContact O-CD2 3.22Å; R602-H648 PolarHBondContact O-N 2.7Å; T604-H648 WeakPolarHBondContact CG2-NE2 3.26Å; T604-H648 PolarHBondContact OG1-NE2 3.44Å
649	G	87.8	Confident	90.3	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	25%	0.245	C	C	.	.	S	Bend	trans	-75.1	-176.7	179	0	0	0	0	0	114.5	N557 D647 P651 T652	N557-G649 WeakPolarHBondContact OD1-CA 3.49Å; D647-G649 WeakPolarHBondContact OD1-CA 3.33Å; D647-G649 PolarHBondContact OD1-N 2.85Å; G649-P651 CarbonylContact C-O 3.46Å; G649-T652 WeakPolarHBondContact O-CG2 3.27Å; G649-T652 PolarHBondContact O-N 3.38Å
650	K	85.5	Confident	90.5	Very high	190 Å²	190	46.6 Å²	46.6	83%	0.826	24%	0.243	S	C	*	.	S	Bend	trans	-144.3	104.3	-177.8	-67.8	-177.1	-176.7	163.5	0	110.8
651	P	89.8	Confident	90.5	Very high	94 Å²	94	42.1 Å²	42.1	61%	0.61	22%	0.222	S	C	*	.	S	Bend	cis	-64.9	153.1	0.2	31	-36.9	0	0	0	112.2	N557 G649 L653	N557-P651 PolarHBondContact ND2-O 2.81Å; G649-P651 CarbonylContact C-O 3.46Å; P651-L653 PolarHBondContact O-N 2.76Å
652	T	90.6	Very high	90	Very high	85 Å²	85	44.4 Å²	44.4	52%	0.521	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-74	120.4	172.8	52.7	0	0	0	0	110.1	D647 G649	D647-T652 WeakPolarHBondContact OD1-CA 3.47Å; G649-T652 WeakPolarHBondContact O-CG2 3.27Å; G649-T652 PolarHBondContact O-N 3.38Å
653	L	92.5	Very high	89.2	Confident	42 Å²	42	42.6 Å²	42.6	22%	0.22	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-95.2	145	173.8	-55.9	174.1	0	0	0	109.7	N557 N559 I560 D647 P651	N557-L653 WeakPolarHBondContact ND2-CD1 3.41Å; N557-L653 WeakPolarHBondContact ND2-CG 3.49Å; N559-L653 VanDerWaalsContact O-CD1 3.26Å; N559-L653 WeakPolarHBondContact O-CD1 3.46Å; I560-L653 HydrophobicContact CG1-CB 4.23Å; I560-L653 HydrophobicContact CG1-CD1 4.1Å; D647-L653 VanDerWaalsContact CG-N 3.33Å; D647-L653 PolarHBondContact N-O 3.02Å; D647-L653 PolarHBondContact OD1-N 3.25Å; D647-L653 WeakPolarHBondContact OD2-CA 3.41Å; D647-L653 WeakPolarHBondContact OD2-CB 3.22Å; D647-L653 PolarHBondContact OD2-N 2.93Å; P651-L653 PolarHBondContact O-N 2.76Å
654	T	92.6	Very high	88	Confident	45 Å²	45	44.5 Å²	44.5	28%	0.276	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	131.5	-172.7	70.6	0	0	0	0	112.2	R644 V645	R644-T654 PolarHBondContact NE-OG1 2.66Å; R644-T654 PolarHBondContact NH2-OG1 3.06Å; V645-T654 CarbonylContact O-C 3.5Å; V645-T654 WeakPolarHBondContact O-CA 2.99Å; V645-T654 WeakPolarHBondContact O-CB 3.36Å
655	A	91.8	Very high	86.4	Confident	23 Å²	23	47 Å²	47	19%	0.19	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	157.6	167.2	0	0	0	0	0	111.1	I560 P561 I563 R644 V645	I560-A655 HydrophobicContact CG2-CB 4.33Å; P561-A655 WeakPolarHBondContact O-CB 3.12Å; I563-A655 HydrophobicContact CD1-CB 4.4Å; R644-A655 WeakPolarHBondContact CA-O 3.36Å; V645-A655 PolarHBondContact N-O 2.89Å; V645-A655 PolarHBondContact O-N 2.84Å
656	A	91.5	Very high	84.3	Confident	53 Å²	53	48.9 Å²	48.9	44%	0.438	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.1	177.3	0	0	0	0	0	111.2	I642 I643	I642-A656 HydrophobicContact CG2-CB 4.05Å; I643-A656 CarbonylContact O-C 3.54Å; I643-A656 VanDerWaalsContact O-CA 3.24Å; I643-A656 WeakPolarHBondContact O-CA 3.44Å
657	A	90.3	Very high	81.7	Confident	3 Å²	3	59.2 Å²	59.2	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.8	176.8	0	0	0	0	0	110.9	I563 L568 D571 I643	I563-A657 HydrophobicContact CD1-CB 3.62Å; L568-A657 HydrophobicContact CD1-CB 3.59Å; L568-A657 HydrophobicContact CD2-CB 3.79Å; L568-A657 HydrophobicContact CG-CB 4.37Å; D571-A657 WeakPolarHBondContact O-CA 3.24Å; I643-A657 PolarHBondContact N-O 2.96Å; I643-A657 PolarHBondContact O-N 2.95Å
658	R	90.4	Very high	79.3	Confident	97 Å²	97	63.4 Å²	63.4	37%	0.366	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.2	178.3	-165.8	163.3	78.4	-92.3	1.7	110.7	D571 T572 A573 E640 L641	D571-R658 PolarHBondContact O-N 3.5Å; T572-R658 VanDerWaalsContact CA-O 3.24Å; T572-R658 WeakPolarHBondContact CA-O 3.48Å; T572-R658 HydrophobicContact CG2-CB 4.16Å; A573-R658 PolarHBondContact N-O 3.09Å; A573-R658 VanDerWaalsContact N-O 3.11Å; E640-R658 HydrophobicContact CB-CG 4.17Å; E640-R658 WeakPolarHBondContact OE2-CD 3.16Å; E640-R658 IonicContact OE2-CZ 2.67Å; E640-R658 IonicContact OE2-NE 2.78Å; E640-R658 PolarHBondContact OE2-NE 3.48Å; L641-R658 CarbonylContact O-C 3.51Å; L641-R658 WeakPolarHBondContact O-CA 3.3Å
659	L	89.6	Confident	77	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113.1	174.5	-62.1	-169.5	0	0	0	109.8	P566 A573 I575 T588 V590 V625 E640 L641 I643 V661	P566-L659 HydrophobicContact CG-CD2 3.68Å; A573-L659 HydrophobicContact CB-CD2 3.94Å; A573-L659 WeakPolarHBondContact O-CA 3.42Å; I575-L659 HydrophobicContact CD1-CB 4.12Å; I575-L659 HydrophobicContact CD1-CD1 3.85Å; I575-L659 HydrophobicContact CD1-CD2 3.94Å; I575-L659 HydrophobicContact CD1-CG 4.19Å; T588-L659 HydrophobicContact CG2-CD1 3.78Å; V590-L659 HydrophobicContact CG2-CD1 3.81Å; V625-L659 HydrophobicContact CG2-CD1 4.45Å; E640-L659 WeakPolarHBondContact CA-O 3.02Å; L641-L659 HydrophobicContact CB-CB 4.36Å; L641-L659 PolarHBondContact N-O 3.25Å; L641-L659 PolarHBondContact O-N 2.97Å; I643-L659 HydrophobicContact CD1-CD1 4.2Å; I643-L659 HydrophobicContact CG1-CD1 3.47Å; I643-L659 VanDerWaalsContact CG1-CD1 3.47Å; I643-L659 HydrophobicContact CG1-CG 3.72Å; L659-V661 PolarHBondContact O-N 3.36Å
660	I	87.1	Confident	74.9	Confident	15 Å²	15	73.8 Å²	73.8	8%	0.077	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	94.1	178	-52.7	-176.9	0	0	0	107.6	A573 E574 I575 I638 E640 K662	A573-I660 PolarHBondContact O-N 3.07Å; E574-I660 WeakPolarHBondContact CA-O 3.22Å; E574-I660 HydrophobicContact CG-CB 4.36Å; I575-I660 PolarHBondContact N-O 2.7Å; I638-I660 HydrophobicContact CG2-CG2 3.56Å; E640-I660 HydrophobicContact CG-CG1 4.14Å; E640-I660 HydrophobicContact CG-CG2 4.28Å; I660-K662 HydrophobicContact CG2-CD 4.44Å; I660-K662 HydrophobicContact CG2-CG 4.06Å; I660-K662 PolarHBondContact O-N 2.89Å
661	V	85.4	Confident	72.6	Confident	0 Å²	0	67 Å²	67	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114	-179.1	-171.9	0	0	0	0	109.1	I575 V577 V587 F616 W632 I638 V639 L641 L659	I575-V661 WeakPolarHBondContact O-CA 3.32Å; V577-V661 HydrophobicContact CB-CG1 4.25Å; V577-V661 HydrophobicContact CG2-CG1 3.58Å; V587-V661 HydrophobicContact CG1-CG1 4.13Å; V587-V661 HydrophobicContact CG1-CG2 4.14Å; F616-V661 HydrophobicContact CE1-CG1 4.26Å; F616-V661 HydrophobicContact CZ-CB 4.19Å; F616-V661 HydrophobicContact CZ-CG1 3.79Å; F616-V661 HydrophobicContact CZ-CG2 4.34Å; W632-V661 HydrophobicContact CH2-CG1 4.49Å; W632-V661 HydrophobicContact CZ2-CG1 4.19Å; I638-V661 WeakPolarHBondContact CA-O 3.13Å; V639-V661 PolarHBondContact N-O 3.07Å; V639-V661 PolarHBondContact O-N 3.04Å; L641-V661 HydrophobicContact CD1-CG2 3.94Å; L641-V661 HydrophobicContact CG-CG2 4.34Å; L659-V661 PolarHBondContact O-N 3.36Å
662	K	80.6	Confident	69.9	Low	48 Å²	48	69.8 Å²	69.8	21%	0.209	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.3	-175	-63	-173.1	-180	176.9	0	111.2	E574 I575 H576 V577 I638 I660 S664	E574-K662 WeakPolarHBondContact OE1-CE 3.27Å; E574-K662 IonicContact OE1-NZ 2.73Å; E574-K662 PolarHBondContact OE1-NZ 3.25Å; E574-K662 WeakPolarHBondContact OE2-CE 3.48Å; E574-K662 IonicContact OE2-NZ 3.78Å; E574-K662 PolarHBondContact OE2-NZ 3.36Å; I575-K662 PolarHBondContact O-N 2.8Å; H576-K662 WeakPolarHBondContact CA-O 3.31Å; V577-K662 PolarHBondContact N-O 3.27Å; V577-K662 VanDerWaalsContact N-O 3.08Å; I638-K662 HydrophobicContact CG1-CG 4.26Å; I638-K662 HydrophobicContact CG2-CG 4.34Å; I660-K662 HydrophobicContact CG2-CD 4.44Å; I660-K662 HydrophobicContact CG2-CG 4.06Å; I660-K662 PolarHBondContact O-N 2.89Å; K662-S664 PolarHBondContact O-N 2.82Å
663	A	72.6	Confident	67.4	Low	16 Å²	16	71.4 Å²	71.4	13%	0.132	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.5	179	0	0	0	0	0	111.2	R579 W632 P637	R579-A663 HydrophobicContact CG-CB 3.99Å; W632-A663 HydrophobicContact CZ2-CB 4.34Å; P637-A663 PolarHBondContact O-N 3.32Å
664	S	67.9	Low	64.6	Low	39 Å²	39	76.7 Å²	76.7	27%	0.273	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.1	-175.6	61.5	0	0	0	0	112.2	V577 P578 R579 K662 G666	V577-S664 PolarHBondContact O-N 2.78Å; V577-S664 PolarHBondContact O-OG 2.86Å; P578-S664 WeakPolarHBondContact CA-OG 3.29Å; R579-S664 PolarHBondContact N-O 2.8Å; K662-S664 PolarHBondContact O-N 2.82Å; S664-G666 VanDerWaalsContact C-N 3.27Å; S664-G666 PolarHBondContact O-N 3.19Å; S664-G666 VanDerWaalsContact O-N 3.1Å
665	N	58.4	Low	61.9	Low	139 Å²	139	82.8 Å²	82.8	74%	0.743	46%	0.46	S	S	*	.			trans	-85.9	66	175.5	-73.8	11.6	0	0	0	110.5	R579	R579-N665 WeakPolarHBondContact CD-OD1 3.37Å; R579-N665 PolarHBondContact NE-OD1 2.91Å
666	G	48.6	Very low	59	Low	41 Å²	41	90.4 Å²	90.4	42%	0.423	49%	0.489	S	S	.	.			trans	-120.6	146.6	176.1	0	0	0	0	0	111.7	S664	S664-G666 VanDerWaalsContact C-N 3.27Å; S664-G666 PolarHBondContact O-N 3.19Å; S664-G666 VanDerWaalsContact O-N 3.1Å
667	R	37.8	Very low	56.3	Low	235 Å²	235	93.9 Å²	93.9	89%	0.887	50%	0.501	S	S	*	.			trans	-57.6	149.3	154.5	-90.8	-178.5	169.2	167.2	-4.9	108.5
668	P	43	Very low	53.6	Low	90 Å²	90	100.5 Å²	100.5	58%	0.584	54%	0.535	S	S	*	.			trans	-55.6	132.8	160.5	26.6	-33.3	0	0	0	108.4	D670	P668-D670 PolarHBondContact O-N 2.84Å; P668-D670 VanDerWaalsContact O-N 3.12Å
669	P	44	Very low	51.2	Low	112 Å²	112	102 Å²	102	73%	0.727	55%	0.547	S	S	*	.			trans	-67	112	172.7	26.4	-31.7	0	0	0	108.9	G671	P669-G671 VanDerWaalsContact C-N 3.28Å; P669-G671 PolarHBondContact O-N 3.03Å
670	D	42.8	Very low	48.5	Very low	182 Å²	182	109.3 Å²	109.3	97%	0.973	59%	0.586	S	S	*	*	S	Bend	trans	-63.2	94.9	164.1	-100.2	-40.2	0	0	0	108	P668	P668-D670 PolarHBondContact O-N 2.84Å; P668-D670 VanDerWaalsContact O-N 3.12Å
671	G	36.9	Very low	46.4	Very low	47 Å²	47	116.8 Å²	116.8	49%	0.485	61%	0.613	S	S	.	*	S	Bend	trans	149.3	95.6	-168.9	0	0	0	0	0	110.3	P669 P673	P669-G671 VanDerWaalsContact C-N 3.28Å; P669-G671 PolarHBondContact O-N 3.03Å; G671-P673 WeakPolarHBondContact O-CD 3.44Å
672	L	33.1	Very low	44.6	Very low	153 Å²	153	121.7 Å²	121.7	80%	0.801	64%	0.639	S	S	*	*			trans	-51.3	126.4	156.2	-81.6	73.2	0	0	0	107.2	H674	L672-H674 VanDerWaalsContact C-N 3.26Å; L672-H674 PolarHBondContact O-N 2.85Å
673	P	38.3	Very low	43.1	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	66%	0.659	S	S	*	*			trans	-63.4	101.5	153.8	-8	24.6	0	0	0	105.5	G671 M675	G671-P673 WeakPolarHBondContact O-CD 3.44Å; P673-M675 PolarHBondContact O-N 2.83Å
674	H	34.3	Very low	42.4	Very low	153 Å²	153	127.3 Å²	127.3	71%	0.708	67%	0.671	S	S	*	*			trans	-61.3	85.3	154.8	-110.3	-64.6	0	0	0	106.1	L672 K676	L672-H674 VanDerWaalsContact C-N 3.26Å; L672-H674 PolarHBondContact O-N 2.85Å; H674-K676 PolarHBondContact O-N 3.01Å
675	M	34.7	Very low	42	Very low	172 Å²	172	130.7 Å²	130.7	85%	0.847	69%	0.685	S	S	*	*			trans	-51.6	128	146.1	-85.9	-156.7	137.4	0	0	105.5	P673 D677	P673-M675 PolarHBondContact O-N 2.83Å; M675-D677 PolarHBondContact O-N 2.95Å
676	K	31.6	Very low	42.4	Very low	184 Å²	184	127.1 Å²	127.1	80%	0.8	67%	0.67	S	S	*	*			trans	-53.7	133.3	-173.1	-65.1	172	179.8	173.8	0	108.5	H674 N678	H674-K676 PolarHBondContact O-N 3.01Å; K676-N678 PolarHBondContact O-N 2.85Å
677	D	34.3	Very low	43.3	Very low	126 Å²	126	130.1 Å²	130.1	67%	0.674	68%	0.676	S	S	*	*			trans	-55.8	92.2	150	-83.4	-63.6	0	0	0	106.5	M675 Q679	M675-D677 PolarHBondContact O-N 2.95Å; D677-Q679 PolarHBondContact O-N 3.38Å
678	N	33.4	Very low	44.9	Very low	141 Å²	141	123.7 Å²	123.7	75%	0.754	66%	0.658	S	S	*	*			trans	-81.3	60.9	-175.8	-167.8	62.7	0	0	0	108.9	K676	K676-N678 PolarHBondContact O-N 2.85Å
679	Q	39.8	Very low	46.5	Very low	130 Å²	130	122.7 Å²	122.7	61%	0.607	65%	0.65	S	S	*	*			trans	50.7	97.3	-174	-64.3	173.6	-20.9	0	0	112.8	D677 W681	D677-Q679 PolarHBondContact O-N 3.38Å; Q679-W681 HydrophobicContact CB-CG 4.45Å; Q679-W681 PolarHBondContact O-N 3.34Å
680	N	33.5	Very low	48.1	Very low	153 Å²	153	120.6 Å²	120.6	82%	0.818	64%	0.635	S	S	*	*			trans	-57.9	79.8	135.4	-98	-6.5	0	0	0	107.8	D682	N680-D682 PolarHBondContact O-N 2.89Å
681	W	42.5	Very low	49.8	Very low	173 Å²	173	116.6 Å²	116.6	66%	0.655	61%	0.613	S	S	*	*			trans	-48.1	123.6	137.4	-71.1	91.2	0	0	0	105.3	Q679 M683	Q679-W681 HydrophobicContact CB-CG 4.45Å; Q679-W681 PolarHBondContact O-N 3.34Å; W681-M683 HydrophobicContact CB-CG 4.41Å; W681-M683 PolarHBondContact O-N 2.96Å
682	D	48.3	Very low	51.8	Low	103 Å²	103	117 Å²	117	55%	0.551	61%	0.608	S	S	*	*			trans	-70	78.1	179.6	-170.1	-5.8	0	0	0	108.2	N680 S684 L685 P686	N680-D682 PolarHBondContact O-N 2.89Å; D682-S684 PolarHBondContact O-N 3.11Å; D682-S684 VanDerWaalsContact OD1-CB 3.28Å; D682-S684 WeakPolarHBondContact OD1-CB 3.32Å; D682-S684 PolarHBondContact OD1-N 2.86Å; D682-S684 PolarHBondContact OD1-OG 3.09Å; D682-L685 PolarHBondContact O-N 2.87Å; D682-P686 WeakPolarHBondContact O-CD 3.47Å
683	M	49.7	Very low	54.2	Low	125 Å²	125	114.1 Å²	114.1	62%	0.616	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-11.8	-175.2	-83.9	-67	-174.1	0	0	111.2	W681 L685 P686 L687	W681-M683 HydrophobicContact CB-CG 4.41Å; W681-M683 PolarHBondContact O-N 2.96Å; M683-L685 PolarHBondContact O-N 2.84Å; M683-P686 HydrophobicContact SD-CB 4.21Å; M683-P686 HydrophobicContact SD-CG 4.17Å; M683-L687 WeakPolarHBondContact O-CB 2.88Å; M683-L687 PolarHBondContact O-N 3.11Å
684	S	56.8	Low	56.4	Low	56 Å²	56	112.8 Å²	112.8	39%	0.392	58%	0.578	S	S	.	*	H	α-helix	trans	-56.3	-40.3	164.2	81.8	0	0	0	0	111.2	D682 I688	D682-S684 PolarHBondContact O-N 3.11Å; D682-S684 VanDerWaalsContact OD1-CB 3.28Å; D682-S684 WeakPolarHBondContact OD1-CB 3.32Å; D682-S684 PolarHBondContact OD1-N 2.86Å; D682-S684 PolarHBondContact OD1-OG 3.09Å; S684-I688 WeakPolarHBondContact O-CA 3.26Å; S684-I688 WeakPolarHBondContact O-CB 3.49Å; S684-I688 WeakPolarHBondContact O-CD1 3.4Å; S684-I688 WeakPolarHBondContact O-CG1 3.44Å; S684-I688 PolarHBondContact O-N 3.5Å
685	L	60.5	Low	58.7	Low	110 Å²	110	108.9 Å²	108.9	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-71.9	-53.4	-176.4	-120.9	168.8	0	0	0	112.5	D682 M683 L687 V689	D682-L685 PolarHBondContact O-N 2.87Å; M683-L685 PolarHBondContact O-N 2.84Å; L685-L687 PolarHBondContact O-N 2.82Å; L685-V689 HydrophobicContact CD2-CG2 4.05Å; L685-V689 VanDerWaalsContact O-CB 3.24Å; L685-V689 WeakPolarHBondContact O-CB 3.46Å; L685-V689 WeakPolarHBondContact O-CG2 3.18Å; L685-V689 PolarHBondContact O-N 3.44Å
686	P	66.7	Low	61.2	Low	64 Å²	64	106.1 Å²	106.1	42%	0.416	56%	0.556	S	S	.	*	H	α-helix	trans	-60.7	-37	170.9	-24.1	34.8	0	0	0	114	D682 M683 T690	D682-P686 WeakPolarHBondContact O-CD 3.47Å; M683-P686 HydrophobicContact SD-CB 4.21Å; M683-P686 HydrophobicContact SD-CG 4.17Å; P686-T690 WeakPolarHBondContact O-CB 3.19Å; P686-T690 WeakPolarHBondContact O-CG2 3.47Å; P686-T690 PolarHBondContact O-N 3.37Å; P686-T690 PolarHBondContact O-OG1 2.8Å
687	L	66.3	Low	63.7	Low	105 Å²	105	103.6 Å²	103.6	55%	0.55	55%	0.549	S	S	.	.	H	α-helix	trans	-73.1	-41.5	178.9	-162.6	93.3	0	0	0	111.5	M683 L685 T690 L691	M683-L687 WeakPolarHBondContact O-CB 2.88Å; M683-L687 PolarHBondContact O-N 3.11Å; L685-L687 PolarHBondContact O-N 2.82Å; L687-T690 WeakPolarHBondContact CA-OG1 3.29Å; L687-T690 PolarHBondContact O-N 3.44Å; L687-T690 PolarHBondContact O-OG1 3.43Å; L687-L691 HydrophobicContact CD2-CD1 3.94Å; L687-L691 HydrophobicContact CG-CD1 3.97Å; L687-L691 HydrophobicContact CG-CG 4.39Å; L687-L691 WeakPolarHBondContact O-CB 3.48Å; L687-L691 WeakPolarHBondContact O-CG 3.46Å; L687-L691 PolarHBondContact O-N 2.82Å
688	I	73.2	Confident	66	Low	100 Å²	100	102.8 Å²	102.8	51%	0.513	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-39.5	173.3	-69.2	165	0	0	0	110.1	S684 S692	S684-I688 WeakPolarHBondContact O-CA 3.26Å; S684-I688 WeakPolarHBondContact O-CB 3.49Å; S684-I688 WeakPolarHBondContact O-CD1 3.4Å; S684-I688 WeakPolarHBondContact O-CG1 3.44Å; S684-I688 PolarHBondContact O-N 3.5Å; I688-S692 WeakPolarHBondContact O-CA 3.4Å; I688-S692 WeakPolarHBondContact O-CB 3.33Å; I688-S692 PolarHBondContact O-N 2.8Å; I688-S692 PolarHBondContact O-OG 3.16Å
689	V	76	Confident	68.5	Low	69 Å²	69	101.5 Å²	101.5	42%	0.418	54%	0.536	S	S	.	.	H	α-helix	trans	-67.5	-43.2	176	167.4	0	0	0	0	111.2	L685 S692 I693	L685-V689 HydrophobicContact CD2-CG2 4.05Å; L685-V689 VanDerWaalsContact O-CB 3.24Å; L685-V689 WeakPolarHBondContact O-CB 3.46Å; L685-V689 WeakPolarHBondContact O-CG2 3.18Å; L685-V689 PolarHBondContact O-N 3.44Å; V689-S692 PolarHBondContact O-N 3.39Å; V689-I693 HydrophobicContact CG1-CD1 3.72Å; V689-I693 HydrophobicContact CG1-CG1 4.45Å; V689-I693 WeakPolarHBondContact O-CB 3.23Å; V689-I693 VanDerWaalsContact O-CG1 3.22Å; V689-I693 WeakPolarHBondContact O-CG1 3.42Å; V689-I693 PolarHBondContact O-N 2.82Å
690	T	76.7	Confident	70.5	Confident	68 Å²	68	97.5 Å²	97.5	42%	0.417	53%	0.526	S	S	.	.	H	α-helix	trans	-70.2	-40.3	176.5	49.5	0	0	0	0	112.4	P686 L687 S692 I693 I694	P686-T690 WeakPolarHBondContact O-CB 3.19Å; P686-T690 WeakPolarHBondContact O-CG2 3.47Å; P686-T690 PolarHBondContact O-N 3.37Å; P686-T690 PolarHBondContact O-OG1 2.8Å; L687-T690 WeakPolarHBondContact CA-OG1 3.29Å; L687-T690 PolarHBondContact O-N 3.44Å; L687-T690 PolarHBondContact O-OG1 3.43Å; T690-S692 VanDerWaalsContact C-N 3.31Å; T690-S692 PolarHBondContact O-N 3.32Å; T690-I693 PolarHBondContact O-N 3Å; T690-I694 VanDerWaalsContact O-CB 3.3Å; T690-I694 WeakPolarHBondContact O-CB 3.27Å; T690-I694 WeakPolarHBondContact O-CD1 3.37Å; T690-I694 WeakPolarHBondContact O-CG1 3.35Å; T690-I694 PolarHBondContact O-N 2.87Å
691	L	78.8	Confident	72.7	Confident	98 Å²	98	92.1 Å²	92.1	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-33.9	171.1	-71.9	170.6	0	0	0	112	L687 S695	L687-L691 HydrophobicContact CD2-CD1 3.94Å; L687-L691 HydrophobicContact CG-CD1 3.97Å; L687-L691 HydrophobicContact CG-CG 4.39Å; L687-L691 WeakPolarHBondContact O-CB 3.48Å; L687-L691 WeakPolarHBondContact O-CG 3.46Å; L687-L691 PolarHBondContact O-N 2.82Å; L691-S695 WeakPolarHBondContact O-CB 3.36Å; L691-S695 PolarHBondContact O-N 3.05Å
692	S	78.9	Confident	74.6	Confident	54 Å²	54	89.9 Å²	89.9	38%	0.378	50%	0.501	S	S	.	.	H	α-helix	trans	-69.1	-42.9	172.9	-63	0	0	0	0	111.3	I688 V689 T690 S695 I696	I688-S692 WeakPolarHBondContact O-CA 3.4Å; I688-S692 WeakPolarHBondContact O-CB 3.33Å; I688-S692 PolarHBondContact O-N 2.8Å; I688-S692 PolarHBondContact O-OG 3.16Å; V689-S692 PolarHBondContact O-N 3.39Å; T690-S692 VanDerWaalsContact C-N 3.31Å; T690-S692 PolarHBondContact O-N 3.32Å; S692-S695 PolarHBondContact O-N 2.78Å; S692-I696 VanDerWaalsContact O-CB 3.29Å; S692-I696 WeakPolarHBondContact O-CB 3.22Å; S692-I696 WeakPolarHBondContact O-CD1 3.17Å; S692-I696 WeakPolarHBondContact O-CG1 3.1Å; S692-I696 PolarHBondContact O-N 2.79Å
693	I	83.7	Confident	76.2	Confident	94 Å²	94	88.4 Å²	88.4	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-43.5	175	-71.5	164.9	0	0	0	110.3	V689 T690 I696 M697	V689-I693 HydrophobicContact CG1-CD1 3.72Å; V689-I693 HydrophobicContact CG1-CG1 4.45Å; V689-I693 WeakPolarHBondContact O-CB 3.23Å; V689-I693 VanDerWaalsContact O-CG1 3.22Å; V689-I693 WeakPolarHBondContact O-CG1 3.42Å; V689-I693 PolarHBondContact O-N 2.82Å; T690-I693 PolarHBondContact O-N 3Å; I693-I696 PolarHBondContact O-N 3.37Å; I693-M697 HydrophobicContact CG2-CG 4.32Å; I693-M697 VanDerWaalsContact O-CB 3.26Å; I693-M697 WeakPolarHBondContact O-CB 3.19Å; I693-M697 WeakPolarHBondContact O-CG 3.33Å; I693-M697 PolarHBondContact O-N 3.39Å
694	I	84.3	Confident	77.5	Confident	90 Å²	90	86.7 Å²	86.7	46%	0.462	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-41.5	175.2	-70.1	163.4	0	0	0	110.4	T690 M697 L698	T690-I694 VanDerWaalsContact O-CB 3.3Å; T690-I694 WeakPolarHBondContact O-CB 3.27Å; T690-I694 WeakPolarHBondContact O-CD1 3.37Å; T690-I694 WeakPolarHBondContact O-CG1 3.35Å; T690-I694 PolarHBondContact O-N 2.87Å; I694-M697 PolarHBondContact O-N 2.78Å; I694-L698 HydrophobicContact CG2-CD1 3.87Å; I694-L698 HydrophobicContact CG2-CG 4.38Å; I694-L698 VanDerWaalsContact O-CB 3.27Å; I694-L698 WeakPolarHBondContact O-CB 3.19Å; I694-L698 VanDerWaalsContact O-CG 3.26Å; I694-L698 WeakPolarHBondContact O-CG 3.18Å; I694-L698 PolarHBondContact O-N 3.33Å
695	S	83.7	Confident	78.4	Confident	72 Å²	72	88.4 Å²	88.4	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-39	175.4	-174.1	0	0	0	0	112.3	L691 S692 L699	L691-S695 WeakPolarHBondContact O-CB 3.36Å; L691-S695 PolarHBondContact O-N 3.05Å; S692-S695 PolarHBondContact O-N 2.78Å; S695-L699 WeakPolarHBondContact O-CB 3.3Å; S695-L699 PolarHBondContact O-N 2.93Å
696	I	85.9	Confident	79	Confident	114 Å²	114	85.9 Å²	85.9	59%	0.585	49%	0.491	S	S	*	.	H	α-helix	trans	-69	-39.6	174.5	-71.5	163.6	0	0	0	110.8	S692 I693 L699 A700	S692-I696 VanDerWaalsContact O-CB 3.29Å; S692-I696 WeakPolarHBondContact O-CB 3.22Å; S692-I696 WeakPolarHBondContact O-CD1 3.17Å; S692-I696 WeakPolarHBondContact O-CG1 3.1Å; S692-I696 PolarHBondContact O-N 2.79Å; I693-I696 PolarHBondContact O-N 3.37Å; I696-L699 PolarHBondContact O-N 2.81Å; I696-A700 VanDerWaalsContact O-CB 3.23Å; I696-A700 WeakPolarHBondContact O-CB 3.39Å; I696-A700 PolarHBondContact O-N 2.89Å
697	M	84.9	Confident	79.5	Confident	130 Å²	130	87.9 Å²	87.9	64%	0.64	50%	0.497	S	S	*	.	H	α-helix	trans	-67.3	-41	174.6	-75.2	-68.6	-70.2	0	0	111.8	I693 I694 A700 A701	I693-M697 HydrophobicContact CG2-CG 4.32Å; I693-M697 VanDerWaalsContact O-CB 3.26Å; I693-M697 WeakPolarHBondContact O-CB 3.19Å; I693-M697 WeakPolarHBondContact O-CG 3.33Å; I693-M697 PolarHBondContact O-N 3.39Å; I694-M697 PolarHBondContact O-N 2.78Å; M697-A700 PolarHBondContact O-N 2.87Å; M697-A701 VanDerWaalsContact O-CB 3.27Å; M697-A701 WeakPolarHBondContact O-CB 3.46Å; M697-A701 PolarHBondContact O-N 2.94Å
698	L	82.5	Confident	79.5	Confident	109 Å²	109	89 Å²	89	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-67.2	-38.7	173.1	-76.7	170.2	0	0	0	111.5	I694 A701 M702	I694-L698 HydrophobicContact CG2-CD1 3.87Å; I694-L698 HydrophobicContact CG2-CG 4.38Å; I694-L698 VanDerWaalsContact O-CB 3.27Å; I694-L698 WeakPolarHBondContact O-CB 3.19Å; I694-L698 VanDerWaalsContact O-CG 3.26Å; I694-L698 WeakPolarHBondContact O-CG 3.18Å; I694-L698 PolarHBondContact O-N 3.33Å; L698-A701 PolarHBondContact O-N 2.81Å; L698-M702 VanDerWaalsContact O-CB 3.32Å; L698-M702 WeakPolarHBondContact O-CB 3.08Å; L698-M702 VanDerWaalsContact O-CG 3.22Å; L698-M702 WeakPolarHBondContact O-CG 3.41Å; L698-M702 PolarHBondContact O-N 2.81Å
699	L	85.8	Confident	78.9	Confident	114 Å²	114	87 Å²	87	60%	0.597	49%	0.492	S	S	*	.	H	α-helix	trans	-69.3	-38.4	175.3	-169.1	148.8	0	0	0	111	S695 I696 M702 V703	S695-L699 WeakPolarHBondContact O-CB 3.3Å; S695-L699 PolarHBondContact O-N 2.93Å; I696-L699 PolarHBondContact O-N 2.81Å; L699-M702 PolarHBondContact O-N 3.08Å; L699-V703 HydrophobicContact CD2-CG2 3.99Å; L699-V703 VanDerWaalsContact O-CB 3.27Å; L699-V703 WeakPolarHBondContact O-CB 3.16Å; L699-V703 WeakPolarHBondContact O-CG2 3.49Å; L699-V703 PolarHBondContact O-N 2.77Å
700	A	82.2	Confident	78.3	Confident	47 Å²	47	92 Å²	92	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-38.4	171.7	0	0	0	0	0	112.1	I696 M697 V703 T704	I696-A700 VanDerWaalsContact O-CB 3.23Å; I696-A700 WeakPolarHBondContact O-CB 3.39Å; I696-A700 PolarHBondContact O-N 2.89Å; M697-A700 PolarHBondContact O-N 2.87Å; A700-V703 PolarHBondContact O-N 3.42Å; A700-T704 WeakPolarHBondContact O-CB 3.27Å; A700-T704 WeakPolarHBondContact O-CG2 3.27Å; A700-T704 PolarHBondContact O-N 3.49Å; A700-T704 PolarHBondContact O-OG1 2.81Å
701	A	79.6	Confident	77.3	Confident	39 Å²	39	98.8 Å²	98.8	32%	0.322	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-47.3	172.2	0	0	0	0	0	111	M697 L698 V703 T704 I705	M697-A701 VanDerWaalsContact O-CB 3.27Å; M697-A701 WeakPolarHBondContact O-CB 3.46Å; M697-A701 PolarHBondContact O-N 2.94Å; L698-A701 PolarHBondContact O-N 2.81Å; A701-V703 VanDerWaalsContact C-N 3.35Å; A701-V703 PolarHBondContact O-N 2.79Å; A701-T704 WeakPolarHBondContact CA-OG1 3.41Å; A701-T704 PolarHBondContact O-N 2.79Å; A701-T704 PolarHBondContact O-OG1 2.88Å; A701-T704 VanDerWaalsContact O-OG1 3.05Å; A701-I705 VanDerWaalsContact O-CB 3.29Å; A701-I705 WeakPolarHBondContact O-CB 3.5Å; A701-I705 WeakPolarHBondContact O-CD1 3.06Å; A701-I705 WeakPolarHBondContact O-CG1 3.34Å; A701-I705 PolarHBondContact O-N 3.08Å
702	M	81.5	Confident	76	Confident	127 Å²	127	99.2 Å²	99.2	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-64.7	-36	176.5	-73.1	-66.1	-72.6	0	0	112.5	L698 L699 A706	L698-M702 VanDerWaalsContact O-CB 3.32Å; L698-M702 WeakPolarHBondContact O-CB 3.08Å; L698-M702 VanDerWaalsContact O-CG 3.22Å; L698-M702 WeakPolarHBondContact O-CG 3.41Å; L698-M702 PolarHBondContact O-N 2.81Å; L699-M702 PolarHBondContact O-N 3.08Å; M702-A706 WeakPolarHBondContact O-CB 2.99Å; M702-A706 PolarHBondContact O-N 3.45Å
703	V	82.6	Confident	74.6	Confident	71 Å²	71	103.2 Å²	103.2	43%	0.43	54%	0.542	S	S	.	.	H	α-helix	trans	-71.9	-40.2	174.5	166.7	0	0	0	0	111.4	L699 A700 A701 A706 I707	L699-V703 HydrophobicContact CD2-CG2 3.99Å; L699-V703 VanDerWaalsContact O-CB 3.27Å; L699-V703 WeakPolarHBondContact O-CB 3.16Å; L699-V703 WeakPolarHBondContact O-CG2 3.49Å; L699-V703 PolarHBondContact O-N 2.77Å; A700-V703 PolarHBondContact O-N 3.42Å; A701-V703 VanDerWaalsContact C-N 3.35Å; A701-V703 PolarHBondContact O-N 2.79Å; V703-A706 PolarHBondContact O-N 3.43Å; V703-I707 HydrophobicContact CG1-CD1 3.72Å; V703-I707 HydrophobicContact CG1-CG1 4.42Å; V703-I707 WeakPolarHBondContact O-CB 3.29Å; V703-I707 WeakPolarHBondContact O-CG1 3.11Å; V703-I707 PolarHBondContact O-N 3.31Å
704	T	76.3	Confident	72.8	Confident	89 Å²	89	107.8 Å²	107.8	55%	0.546	56%	0.558	S	S	.	*	H	α-helix	trans	-70.9	-36.9	175.8	48.3	0	0	0	0	112.3	A700 A701 I707 K708	A700-T704 WeakPolarHBondContact O-CB 3.27Å; A700-T704 WeakPolarHBondContact O-CG2 3.27Å; A700-T704 PolarHBondContact O-N 3.49Å; A700-T704 PolarHBondContact O-OG1 2.81Å; A701-T704 WeakPolarHBondContact CA-OG1 3.41Å; A701-T704 PolarHBondContact O-N 2.79Å; A701-T704 PolarHBondContact O-OG1 2.88Å; A701-T704 VanDerWaalsContact O-OG1 3.05Å; T704-I707 PolarHBondContact O-N 2.79Å; T704-K708 VanDerWaalsContact O-CB 3.27Å; T704-K708 WeakPolarHBondContact O-CB 3.28Å; T704-K708 PolarHBondContact O-N 3.35Å
705	I	76.6	Confident	71.1	Confident	93 Å²	93	112 Å²	112	48%	0.477	58%	0.576	S	S	.	*	H	α-helix	trans	-62.5	-48.2	168.6	-69.7	164.9	0	0	0	109.9	A701 I707 K708 C709	A701-I705 VanDerWaalsContact O-CB 3.29Å; A701-I705 WeakPolarHBondContact O-CB 3.5Å; A701-I705 WeakPolarHBondContact O-CD1 3.06Å; A701-I705 WeakPolarHBondContact O-CG1 3.34Å; A701-I705 PolarHBondContact O-N 3.08Å; I705-I707 VanDerWaalsContact C-N 3.32Å; I705-I707 PolarHBondContact O-N 2.78Å; I705-K708 PolarHBondContact O-N 2.78Å; I705-K708 VanDerWaalsContact O-N 3.16Å; I705-C709 WeakPolarHBondContact O-CB 3.18Å; I705-C709 PolarHBondContact O-N 2.75Å; I705-C709 PolarHBondContact O-SG 2.83Å; I705-C709 VanDerWaalsContact O-SG 3.32Å
706	A	72.4	Confident	69.1	Low	57 Å²	57	115.8 Å²	115.8	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-62.2	-37.2	177.4	0	0	0	0	0	112.6	M702 V703 K710	M702-A706 WeakPolarHBondContact O-CB 2.99Å; M702-A706 PolarHBondContact O-N 3.45Å; V703-A706 PolarHBondContact O-N 3.43Å; A706-K710 WeakPolarHBondContact O-CB 3.26Å; A706-K710 PolarHBondContact O-N 3.32Å
707	I	76.9	Confident	66.7	Low	106 Å²	106	122 Å²	122	54%	0.544	61%	0.605	S	S	.	*	H	α-helix	trans	-68.1	-42.4	173.6	-72.8	166.3	0	0	0	110.7	V703 T704 I705 K710 R711	V703-I707 HydrophobicContact CG1-CD1 3.72Å; V703-I707 HydrophobicContact CG1-CG1 4.42Å; V703-I707 WeakPolarHBondContact O-CB 3.29Å; V703-I707 WeakPolarHBondContact O-CG1 3.11Å; V703-I707 PolarHBondContact O-N 3.31Å; T704-I707 PolarHBondContact O-N 2.79Å; I705-I707 VanDerWaalsContact C-N 3.32Å; I705-I707 PolarHBondContact O-N 2.78Å; I707-K710 PolarHBondContact O-N 2.67Å; I707-R711 VanDerWaalsContact O-CB 3.32Å; I707-R711 WeakPolarHBondContact O-CB 3.41Å; I707-R711 PolarHBondContact O-N 3.39Å
708	K	68	Low	64.2	Low	129 Å²	129	120.7 Å²	120.7	56%	0.561	61%	0.605	S	S	*	*	H	α-helix	trans	-64.8	-52.2	177.6	-173.2	173.2	174.8	-179.2	0	111.1	T704 I705 K710 R711 E712	T704-K708 VanDerWaalsContact O-CB 3.27Å; T704-K708 WeakPolarHBondContact O-CB 3.28Å; T704-K708 PolarHBondContact O-N 3.35Å; I705-K708 PolarHBondContact O-N 2.78Å; I705-K708 VanDerWaalsContact O-N 3.16Å; K708-K710 VanDerWaalsContact C-N 3.25Å; K708-K710 PolarHBondContact O-N 2.64Å; K708-R711 CarbonylContact O-C 3.42Å; K708-R711 WeakPolarHBondContact O-CA 3.47Å; K708-R711 WeakPolarHBondContact O-CB 3.4Å; K708-R711 PolarHBondContact O-N 2.8Å; K708-E712 WeakPolarHBondContact CE-OE1 3.22Å; K708-E712 WeakPolarHBondContact CG-OE1 3.18Å; K708-E712 IonicContact NZ-OE1 2.64Å; K708-E712 WeakPolarHBondContact O-CG 3.44Å; K708-E712 PolarHBondContact O-N 2.65Å
709	C	60.6	Low	61.9	Low	58 Å²	58	125.9 Å²	125.9	39%	0.392	62%	0.618	S	S	.	*	H	α-helix	trans	-63.6	-25.9	175.4	-62.4	0	0	0	0	113.4	I705 N713	I705-C709 WeakPolarHBondContact O-CB 3.18Å; I705-C709 PolarHBondContact O-N 2.75Å; I705-C709 PolarHBondContact O-SG 2.83Å; I705-C709 VanDerWaalsContact O-SG 3.32Å; C709-N713 VanDerWaalsContact O-CB 3.22Å; C709-N713 WeakPolarHBondContact O-CB 3.33Å; C709-N713 PolarHBondContact O-N 3.1Å; C709-N713 VanDerWaalsContact O-N 3.09Å; C709-N713 PolarHBondContact O-ND2 2.56Å
710	K	62.3	Low	59.4	Low	172 Å²	172	127.5 Å²	127.5	75%	0.748	63%	0.627	S	S	*	*	H	α-helix	trans	-81.3	-23.3	172.2	-173.5	173.5	-179	179.4	0	113.1	A706 I707 K708	A706-K710 WeakPolarHBondContact O-CB 3.26Å; A706-K710 PolarHBondContact O-N 3.32Å; I707-K710 PolarHBondContact O-N 2.67Å; K708-K710 VanDerWaalsContact C-N 3.25Å; K708-K710 PolarHBondContact O-N 2.64Å
711	R	55.3	Low	57	Low	211 Å²	211	131.3 Å²	131.3	80%	0.796	65%	0.65	S	S	*	*	H	α-helix	trans	-79.1	-39.5	171.4	-172.9	172.8	177.6	171	-1.9	111.2	I707 K708	I707-R711 VanDerWaalsContact O-CB 3.32Å; I707-R711 WeakPolarHBondContact O-CB 3.41Å; I707-R711 PolarHBondContact O-N 3.39Å; K708-R711 CarbonylContact O-C 3.42Å; K708-R711 WeakPolarHBondContact O-CA 3.47Å; K708-R711 WeakPolarHBondContact O-CB 3.4Å; K708-R711 PolarHBondContact O-N 2.8Å
712	E	51.4	Low	54.8	Low	107 Å²	107	140.5 Å²	140.5	50%	0.5	68%	0.676	S	S	.	*	H	α-helix	trans	-73.4	-30.2	176.2	-70.7	163.6	170.3	0	0	112.6	K708 K714 E715	K708-E712 WeakPolarHBondContact CE-OE1 3.22Å; K708-E712 WeakPolarHBondContact CG-OE1 3.18Å; K708-E712 IonicContact NZ-OE1 2.64Å; K708-E712 WeakPolarHBondContact O-CG 3.44Å; K708-E712 PolarHBondContact O-N 2.65Å; E712-K714 PolarHBondContact O-N 3.47Å; E712-E715 PolarHBondContact O-N 3.35Å
713	N	50	Low	52.3	Low	138 Å²	138	142.5 Å²	142.5	74%	0.738	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	14.8	174.5	-105	-61.8	0	0	0	115.7	C709	C709-N713 VanDerWaalsContact O-CB 3.22Å; C709-N713 WeakPolarHBondContact O-CB 3.33Å; C709-N713 PolarHBondContact O-N 3.1Å; C709-N713 VanDerWaalsContact O-N 3.09Å; C709-N713 PolarHBondContact O-ND2 2.56Å
714	K	45.5	Very low	49.8	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.826	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-8	178.7	-128.8	-172.3	178.6	-166.3	0	115.4	E712	E712-K714 PolarHBondContact O-N 3.47Å
715	E	49.7	Very low	47.4	Very low	179 Å²	179	146.7 Å²	146.7	84%	0.836	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-11.1	-173.2	-68.8	-172.4	143.9	0	0	116	E712	E712-E715 PolarHBondContact O-N 3.35Å
716	I	40.2	Very low	45.2	Very low	151 Å²	151	151.1 Å²	151.1	77%	0.774	73%	0.725	S	S	*	*			trans	-120.5	92.9	178.7	-52	-177.7	0	0	0	111.4
717	R	37.1	Very low	43.2	Very low	244 Å²	244	154.1 Å²	154.1	92%	0.921	74%	0.742	S	S	*	*			trans	-147.4	41.2	170.8	-125.6	-172.2	-169	-153.6	3.7	115.8
718	T	32.6	Very low	40.9	Very low	104 Å²	104	157.8 Å²	157.8	64%	0.638	76%	0.756	S	S	*	*			trans	-167.1	143.3	159.7	26.5	0	0	0	0	107
719	Y	34.1	Very low	39.5	Very low	217 Å²	217	157 Å²	157	85%	0.851	76%	0.764	S	S	*	*			cis	-128.2	160	11.6	-76.5	-84.7	0	0	0	113.4
720	N	32.7	Very low	38	Very low	148 Å²	148	161.8 Å²	161.8	79%	0.791	78%	0.781	S	S	*	*			trans	-111	150.8	164.1	-90.4	-56.2	0	0	0	109.5
721	C	31.5	Very low	36.3	Very low	127 Å²	127	161.7 Å²	161.7	86%	0.858	79%	0.788	S	S	*	*			trans	164.5	116.2	141.4	-85.9	0	0	0	0	105.7
722	R	33	Very low	35.1	Very low	233 Å²	233	155.4 Å²	155.4	88%	0.879	79%	0.789	S	S	*	*			cis	71.9	100.9	24.2	-140.5	177.9	-158.5	-178.6	6.8	114.5
723	I	29.7	Very low	34	Very low	168 Å²	168	160.9 Å²	160.9	86%	0.862	81%	0.811	S	S	*	*			trans	-43.7	148	164.5	-68.5	156.1	0	0	0	111.6
724	A	29.7	Very low	33.1	Very low	94 Å²	94	158.3 Å²	158.3	78%	0.777	82%	0.817	S	S	*	*			trans	-120.6	143.8	176.6	0	0	0	0	0	111
725	E	27.1	Very low	32.5	Very low	154 Å²	154	159 Å²	159	72%	0.72	82%	0.82	S	S	*	*			trans	-151.6	158.2	163.8	-143.7	-174.8	177.3	0	0	111.1
726	Y	29.1	Very low	31.9	Very low	187 Å²	187	160 Å²	160	73%	0.733	82%	0.821	S	S	*	*			trans	70	121.2	172.1	-71.4	-74.9	0	0	0	122.5
727	S	29.9	Very low	31.5	Very low	119 Å²	119	162.9 Å²	162.9	83%	0.832	83%	0.828	S	S	*	*			trans	92.9	129.5	138.9	73.2	0	0	0	0	121.1
728	H	28.9	Very low	31.3	Very low	183 Å²	183	160.4 Å²	160.4	85%	0.847	82%	0.824	S	S	*	*			trans	-68.6	163.8	167.5	-93.8	-45.4	0	0	0	111.7
729	P	38.8	Very low	31.4	Very low	112 Å²	112	163.3 Å²	163.3	73%	0.727	83%	0.834	S	S	*	*			cis	-157.3	178.8	48.2	46.1	-25	0	0	0	120.8
730	Q	28.5	Very low	31.1	Very low	160 Å²	160	160.4 Å²	160.4	75%	0.748	83%	0.834	S	S	*	*			trans	70.4	115.7	157.8	-67.1	-59.9	-7.4	0	0	123.1
731	L	28.2	Very low	31.1	Very low	170 Å²	170	161.5 Å²	161.5	89%	0.89	83%	0.831	S	S	*	*				63.7	111.1	126.6	-146.2	76.1	0	0	0	122.2
732	G	28.3	Very low	31.2	Very low	79 Å²	79	161.2 Å²	161.2	81%	0.814	82%	0.821	S	S	*	*			trans	-175.6	139.5	161.6	0	0	0	0	0	114.3
733	K	30.4	Very low	31.1	Very low	222 Å²	222	157.3 Å²	157.3	97%	0.965	82%	0.818	S	S	*	*			trans	-111.9	136.9	179.2	-62.1	173.9	-177.9	173.3	0	110.9
734	G	30.2	Very low	31.4	Very low	84 Å²	84	156 Å²	156	87%	0.866	81%	0.811	S	S	*	*			trans	-164.2	147.2	174.3	0	0	0	0	0	114
735	K	32.6	Very low	31.3	Very low	204 Å²	204	160.3 Å²	160.3	89%	0.887	82%	0.817	S	S	*	*			trans	-118.7	141	-173.5	-69.7	176.8	179.1	174.2	0	113.2
736	K	37.1	Very low	31.4	Very low	199 Å²	199	160.9 Å²	160.9	87%	0.865	82%	0.824	S	S	*	*			trans	42.7	130.5	146	-63.2	-174.8	176.5	-173	0	120.6
737	K	31.7	Very low	31.5	Very low	212 Å²	212	158.3 Å²	158.3	92%	0.922	83%	0.828	S	S	*	*				-163.8	155.5	123.7	-109.9	170.2	-176.8	-176.8	0	112.7
738	K	33.8	Very low	31.4	Very low	192 Å²	192	161.3 Å²	161.3	84%	0.835	83%	0.829	S	S	*	*			trans	-105.2	162.1	165.5	-71	-175.6	174.5	-174.4	0	108.6
739	I	33	Very low	31.7	Very low	165 Å²	165	156.6 Å²	156.6	85%	0.846	82%	0.817	S	S	*	*				167.7	121.4	120.2	-85.7	156.7	0	0	0	113
740	N	29.3	Very low	31.3	Very low	157 Å²	157	159.4 Å²	159.4	84%	0.84	82%	0.82	S	S	*	*			trans	37.7	-164.8	143	-136.3	13.2	0	0	0	123.9
741	K	32.2	Very low	31.5	Very low	171 Å²	171	157.5 Å²	157.5	74%	0.743	82%	0.819	S	S	*	*			trans	-152.6	161.1	-136.7	-168.9	-160.9	173.1	-176.3	0	112.7
742	N	33.8	Very low	31.8	Very low	121 Å²	121	157 Å²	157	65%	0.647	81%	0.812	S	S	*	*			trans	105.3	159.9	162.6	-65.7	-8.4	0	0	0	118.9
743	D	30.4	Very low	32.1	Very low	151 Å²	151	159.9 Å²	159.9	81%	0.807	80%	0.804	S	S	*	*			trans	106.4	94.1	-179.5	-63.3	-6.2	0	0	0	113.3
744	I	35.7	Very low	32.3	Very low	139 Å²	139	157.3 Å²	157.3	71%	0.713	79%	0.788	S	S	*	*			cis	85.6	107.5	47.6	-55.8	164.4	0	0	0	114.3
745	M	28.9	Very low	32.3	Very low	186 Å²	186	159.8 Å²	159.8	92%	0.916	78%	0.782	S	S	*	*				178.5	172.5	125.5	-97.6	-156	-71.9	0	0	114.9
746	L	29.5	Very low	32.4	Very low	165 Å²	165	154 Å²	154	86%	0.864	77%	0.773	S	S	*	*			trans	-118.7	178.6	-155.8	-74.5	152.7	0	0	0	115.3
747	V	29.3	Very low	32.5	Very low	133 Å²	133	152 Å²	152	81%	0.806	77%	0.768	S	S	*	*			trans	121.1	154.1	145.3	-174.5	0	0	0	0	117.9
748	Q	29.1	Very low	32.7	Very low	182 Å²	182	147.7 Å²	147.7	85%	0.85	76%	0.755	S	S	*	*			trans	-85.5	-164.2	-161	-55.3	155.2	-58.7	0	0	113.6
749	S	34.8	Very low	32.7	Very low	85 Å²	85	145 Å²	145	59%	0.594	76%	0.755	S	S	*	*			cis	-162.3	179.5	17.6	53.4	0	0	0	0	114.8
750	E	30	Very low	32.8	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.794	75%	0.749	S	S	*	*			trans	76	158.6	153.2	-74.6	149.2	-116.7	0	0	122.6
751	V	33	Very low	32.8	Very low	121 Å²	121	143 Å²	143	73%	0.733	74%	0.743	S	S	*	*			cis	-177.8	167	-49.4	135.3	0	0	0	0	111.4
752	E	33.7	Very low	32.8	Very low	158 Å²	158	140.4 Å²	140.4	74%	0.738	74%	0.741	S	S	*	*			trans	68.6	123.6	175.2	-78.2	167.9	-175.2	0	0	116.6
753	E	35.3	Very low	32.6	Very low	140 Å²	140	140.8 Å²	140.8	65%	0.654	75%	0.747	S	S	*	*				72.2	148.1	54.9	-66.7	-159.3	105.6	0	0	113.9
754	R	34.8	Very low	32.4	Very low	168 Å²	168	138.8 Å²	138.8	63%	0.634	75%	0.745	S	S	*	*			cis	-131	-165.4	9.1	-126.8	167.4	-152.6	72.4	19.8	108.8
755	D	31.1	Very low	32.4	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	75%	0.748	S	S	*	*			cis	-163.2	-176.8	4.1	-122.5	-28.7	0	0	0	104.9
756	A	33.8	Very low	33.5	Very low	84 Å²	84	134.3 Å²	134.3	69%	0.694	74%	0.741	S	S	*	*			cis	-170.4	166.1	-12.4	0	0	0	0	0	106.2
757	M	38.8	Very low	33.7	Very low	155 Å²	155	131.5 Å²	131.5	76%	0.764	74%	0.736	S	S	*	*			cis	-172	160.1	-31.8	177.7	48	-176.5	0	0	106.6
758	N	36.2	Very low	33.7	Very low	122 Å²	122	133.8 Å²	133.8	65%	0.652	74%	0.742	S	S	*	*			trans	77.2	159.2	-171.7	-49.3	-83.6	0	0	0	112.3
759	V	33.2	Very low	33.8	Very low	137 Å²	137	129.2 Å²	129.2	83%	0.83	74%	0.736	S	S	*	*			cis	-118.7	156.8	15.4	-176.3	0	0	0	0	113.2
760	M	35.1	Very low	33.3	Very low	146 Å²	146	132.2 Å²	132.2	72%	0.719	75%	0.751	S	S	*	*			trans	-56.3	148.4	176	-66.7	178.6	-169.9	0	0	113.4
761	N	30.7	Very low	33.4	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	75%	0.75	S	S	*	*			cis	-168.8	176.9	10.2	-112.1	6.6	0	0	0	108.4
762	V	31.4	Very low	33.8	Very low	116 Å²	116	128.8 Å²	128.8	70%	0.703	75%	0.749	S	S	*	*			cis	168.9	146.9	-27.3	127.4	0	0	0	0	105.4
763	V	29.5	Very low	33.5	Very low	130 Å²	130	129.4 Å²	129.4	79%	0.788	75%	0.754	S	S	*	*			cis	-166.4	149.5	-26.1	104.1	0	0	0	0	104.7
764	S	27.6	Very low	32.9	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	76%	0.758	S	S	*	*				-169.7	172.1	65.6	63.3	0	0	0	0	112.7
765	S	35.6	Very low	32.5	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	76%	0.758	S	S	*	*			trans	-152	-173.8	154.6	63.1	0	0	0	0	105.6
766	P	50.8	Low	32.2	Very low	121 Å²	121	129.8 Å²	129.8	79%	0.786	75%	0.753	S	S	*	*			cis	-138.6	-157.8	6.1	43.3	-22.1	0	0	0	114.7
767	S	33.9	Very low	32.1	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	75%	0.751	S	S	*	*			trans	-75.1	158.9	-173.7	-25.6	0	0	0	0	116.5
768	L	29.5	Very low	31.6	Very low	180 Å²	180	132.5 Å²	132.5	94%	0.942	74%	0.743	S	S	*	*				-172.7	178.2	115.7	-102.8	166.6	0	0	0	113
769	A	30.3	Very low	31.3	Very low	87 Å²	87	132 Å²	132	72%	0.719	75%	0.745	S	S	*	*			trans	-110.4	158.9	-161.5	0	0	0	0	0	115.6
770	T	25.4	Very low	31.2	Very low	147 Å²	147	136.7 Å²	136.7	90%	0.902	75%	0.748	S	S	*	*			trans	-153.6	146.1	156.1	8.7	0	0	0	0	113.5
771	S	30.9	Very low	30.8	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	75%	0.753	S	S	*	*			trans	-118.4	173.4	155.2	-134.8	0	0	0	0	106.3
772	P	42.1	Very low	31.5	Very low	110 Å²	110	135.9 Å²	135.9	71%	0.714	75%	0.752	S	S	*	*			cis	-142	-169.2	20.1	43.3	-22.8	0	0	0	116.5
773	M	26.9	Very low	31.3	Very low	171 Å²	171	138 Å²	138	84%	0.842	76%	0.758	S	S	*	*			trans	-5.7	143.3	152.9	-55.5	-73.8	-158.9	0	0	119.5
774	Y	24.2	Very low	31.2	Very low	188 Å²	188	137.6 Å²	137.6	74%	0.737	76%	0.761	S	S	*	*				179.4	134.2	99.8	-138.6	-119.2	0	0	0	113.3
775	F	26.1	Very low	31.1	Very low	148 Å²	148	137.7 Å²	137.7	65%	0.649	76%	0.761	S	S	*	*			trans	54.6	151.3	148.1	-83.3	-132.2	0	0	0	120.1
776	D	25.3	Very low	31.6	Very low	116 Å²	116	137.5 Å²	137.5	62%	0.62	76%	0.758	S	S	*	*			cis	-148	-151.2	-0.9	-142.9	-16.8	0	0	0	108
777	Y	29.8	Very low	30.5	Very low	168 Å²	168	142.9 Å²	142.9	66%	0.659	76%	0.763	S	S	*	*			cis	-149	167.3	7.3	-163.5	-99	0	0	0	111.9
778	Q	28.3	Very low	30.3	Very low	127 Å²	127	142.1 Å²	142.1	59%	0.593	76%	0.757	S	S	*	*			trans	-65.3	143.6	177.9	-47.2	165.5	-13.4	0	0	114.2
779	T	31.3	Very low	30.3	Very low	113 Å²	113	142 Å²	142	69%	0.693	75%	0.752	S	S	*	*				152.1	160	94.9	39.1	0	0	0	0	107.9
780	R	29.7	Very low	30.2	Very low	234 Å²	234	144.1 Å²	144.1	88%	0.883	76%	0.755	S	S	*	*			cis	-153.7	166.9	4.2	-127	172.8	-159.4	-157.1	5.8	110.7
781	L	27.1	Very low	30.2	Very low	158 Å²	158	145.8 Å²	145.8	83%	0.827	76%	0.755	S	S	*	*			trans	-47.9	173.5	165.1	-75.3	164.6	0	0	0	115.4
782	P	45	Very low	30.1	Very low	105 Å²	105	151.3 Å²	151.3	68%	0.682	76%	0.761	S	S	*	*			cis	-144.6	170.3	19.9	27.4	-1.2	0	0	0	120.7
783	L	27.2	Very low	29.3	Very low	159 Å²	159	154.3 Å²	154.3	83%	0.832	77%	0.77	S	S	*	*			trans	53.8	119.8	141.5	-68	164.4	0	0	0	122.3
784	S	28.6	Very low	29.3	Very low	123 Å²	123	155.1 Å²	155.1	86%	0.86	77%	0.769	S	S	*	*				162.2	168.2	99.5	53.5	0	0	0	0	113.2
785	S	25.5	Very low	30.2	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	76%	0.763	S	S	*	*			trans	-146.7	-178.9	-179.3	74.9	0	0	0	0	108.8
786	P	46	Very low	30.3	Very low	106 Å²	106	150.2 Å²	150.2	69%	0.688	77%	0.772	S	S	*	*			cis	-137.3	-175.5	-7.5	37.6	-18.1	0	0	0	115.1
787	R	27.2	Very low	30.6	Very low	234 Å²	234	148.6 Å²	148.6	88%	0.883	78%	0.775	S	S	*	*			trans	80.6	156.3	140.4	-131.3	174.8	-171.6	151.1	2.1	122.3
788	S	29.6	Very low	30.8	Very low	91 Å²	91	147.8 Å²	147.8	64%	0.636	78%	0.782	S	S	*	*			trans	74.7	122.3	150.8	37.3	0	0	0	0	122.9
789	E	29	Very low	30.7	Very low	177 Å²	177	149 Å²	149	83%	0.827	79%	0.793	S	S	*	*			trans	75.1	109.1	132.3	-72.1	162.5	-133.2	0	0	123.1
790	V	28.6	Very low	30.7	Very low	131 Å²	131	150.7 Å²	150.7	79%	0.794	80%	0.797	S	S	*	*				23	109.5	117.4	-171.9	0	0	0	0	117.4
791	M	25.7	Very low	30.7	Very low	182 Å²	182	144.3 Å²	144.3	90%	0.897	79%	0.788	S	S	*	*				-164	163.1	113.5	-106.1	-160.6	-174	0	0	113
792	Y	28.1	Very low	30.7	Very low	226 Å²	226	143.2 Å²	143.2	89%	0.886	79%	0.787	S	S	*	*			trans	-72	150.6	173.7	-80	-113.7	0	0	0	111.7
793	L	25.9	Very low	30.7	Very low	174 Å²	174	143 Å²	143	91%	0.911	79%	0.787	S	S	*	*			trans	-161.3	141.4	136.9	-108.4	165.8	0	0	0	113.2
794	K	26.9	Very low	30.9	Very low	187 Å²	187	144.2 Å²	144.2	81%	0.813	79%	0.788	S	S	*	*			trans	-118.5	172.3	167.5	-89.8	-174.9	175.9	178.4	0	106.8
795	P	43.2	Very low	30.8	Very low	96 Å²	96	143 Å²	143	62%	0.623	78%	0.779	S	S	*	*			cis	-141	163.3	-43.1	39.3	-23.3	0	0	0	114.2
796	T	29.2	Very low	31.1	Very low	137 Å²	137	145.7 Å²	145.7	84%	0.84	78%	0.779	S	S	*	*			trans	64.4	164.8	153.7	54.6	0	0	0	0	118.5
797	A	31.1	Very low	30.4	Very low	82 Å²	82	147.2 Å²	147.2	68%	0.678	79%	0.786	S	S	*	*			cis	-149.3	149.7	14.1	0	0	0	0	0	116.1
798	N	34.2	Very low	30.4	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	77%	0.774	S	S	*	*			trans	38.6	143.5	142.4	-61.7	0.2	0	0	0	124.8
799	N	26.1	Very low	30.3	Very low	154 Å²	154	140.4 Å²	140.4	82%	0.824	78%	0.783	S	S	*	*			trans	-156.2	124	140.9	-113.1	-23.4	0	0	0	116.1
800	L	32.1	Very low	30.3	Very low	148 Å²	148	140.4 Å²	140.4	78%	0.775	78%	0.782	S	S	*	*			trans	62.3	146.6	146.8	-99	75.1	0	0	0	127.7
801	S	28.3	Very low	30.3	Very low	99 Å²	99	139.6 Å²	139.6	69%	0.692	78%	0.778	S	S	*	*			trans	64.2	120.9	152.1	46.4	0	0	0	0	121
802	V	27.5	Very low	30.5	Very low	135 Å²	135	135.5 Å²	135.5	82%	0.818	77%	0.767	S	S	*	*			cis	72.6	121.1	30.1	-169.7	0	0	0	0	112
803	P	45.2	Very low	30.6	Very low	102 Å²	102	133.7 Å²	133.7	66%	0.662	76%	0.764	S	S	*	*				-153	157.6	60.2	42	-21.6	0	0	0	121.7
804	Q	32.2	Very low	30.8	Very low	183 Å²	183	131.4 Å²	131.4	86%	0.855	76%	0.758	S	S	*	*			trans	63.9	153.8	138.3	-71.4	169.3	-7.4	0	0	121.5
805	S	25.9	Very low	30.9	Very low	97 Å²	97	125.9 Å²	125.9	68%	0.678	75%	0.754	S	S	*	*			cis	-160.2	152.4	4.6	26.8	0	0	0	0	115.2
806	H	32.2	Very low	31	Very low	168 Å²	168	127.8 Å²	127.8	78%	0.778	77%	0.766	S	S	*	*			trans	43.3	130.5	151.1	-66.9	-75.1	0	0	0	122.7
807	V	30.1	Very low	31.1	Very low	137 Å²	137	127.6 Å²	127.6	83%	0.83	77%	0.765	S	S	*	*				79.6	135.2	52.2	173.3	0	0	0	0	113.3
808	G	26.7	Very low	31.1	Very low	60 Å²	60	130 Å²	130	62%	0.619	77%	0.771	S	S	*	*			cis	-165.9	164.5	3.2	0	0	0	0	0	112.8
809	C	29.4	Very low	30.9	Very low	122 Å²	122	127.3 Å²	127.3	82%	0.824	76%	0.764	S	S	*	*				74.3	122.9	96.8	-68.1	0	0	0	0	117.7
810	H	27.3	Very low	31.2	Very low	177 Å²	177	126 Å²	126	82%	0.819	76%	0.762	S	S	*	*			trans	-172.5	123.2	142.8	-106.3	-70.9	0	0	0	114.5
811	T	29.7	Very low	31.1	Very low	114 Å²	114	125 Å²	125	70%	0.699	76%	0.762	S	S	*	*			trans	26.5	148.9	132.1	55.6	0	0	0	0	122
812	S	30.2	Very low	31.2	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	77%	0.767	S	S	*	*			cis	-178.9	159.3	14	30.7	0	0	0	0	115.3
813	F	28.7	Very low	31.5	Very low	187 Å²	187	126.9 Å²	126.9	82%	0.82	77%	0.765	S	S	*	*			trans	74.5	123.3	143.4	-93	-117	0	0	0	124.7
814	T	30.9	Very low	31.6	Very low	126 Å²	126	127.3 Å²	127.3	77%	0.773	77%	0.767	S	S	*	*			trans	43.4	137.6	137.7	59.3	0	0	0	0	124.1
815	G	29.7	Very low	31.5	Very low	72 Å²	72	125 Å²	125	74%	0.742	77%	0.766	S	S	*	*			trans	-127.2	-167.1	159.7	0	0	0	0	0	112.9
816	P	44.6	Very low	31.7	Very low	135 Å²	135	127.6 Å²	127.6	88%	0.877	77%	0.772	S	S	*	*			trans	-128.8	-171.7	165.5	38.2	-23.3	0	0	0	114.9
817	V	30.9	Very low	31.7	Very low	133 Å²	133	130.8 Å²	130.8	81%	0.806	78%	0.777	S	S	*	*			trans	-126.7	163.2	-157.4	176.7	0	0	0	0	112.6
818	T	32.5	Very low	31.7	Very low	132 Å²	132	132.8 Å²	132.8	81%	0.81	78%	0.78	S	S	*	*			trans	132.7	148.8	153.1	53.2	0	0	0	0	114
819	S	30	Very low	31.9	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	78%	0.776	S	S	*	*			cis	-166.8	129.8	-16.7	49.5	0	0	0	0	114.1
820	T	31.4	Very low	32	Very low	127 Å²	127	134.9 Å²	134.9	78%	0.779	77%	0.773	S	S	*	*			trans	35	131.9	142.5	58.3	0	0	0	0	124
821	T	30.6	Very low	32.1	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	77%	0.766	S	S	*	*				-166.1	137.9	109.3	13.9	0	0	0	0	115.1
822	D	29.1	Very low	32.2	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	77%	0.766	S	S	*	*			trans	70.8	167.3	146.7	-59.4	-8.9	0	0	0	125
823	T	35.2	Very low	32.1	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	77%	0.774	S	S	*	*			trans	-135.8	-167.6	-150.3	63.1	0	0	0	0	109.8
824	P	46.2	Very low	32.2	Very low	110 Å²	110	134.1 Å²	134.1	71%	0.714	77%	0.77	S	S	*	*			cis	-133.6	-164.2	-2.8	43.4	-25.6	0	0	0	113.6
825	T	30.8	Very low	32.2	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	77%	0.771	S	S	*	*				-152.8	169.5	-54.7	39.9	0	0	0	0	107.5
826	N	30.1	Very low	32.4	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	78%	0.778	S	S	*	*			trans	-146.6	172.2	162.6	-153	-13.5	0	0	0	111.4
827	R	32.7	Very low	32.8	Very low	236 Å²	236	140.8 Å²	140.8	89%	0.891	78%	0.775	S	S	*	*			trans	-61.5	143	-156.7	-71.4	170.1	168.1	156.8	-5	118.5
828	M	28.6	Very low	32.7	Very low	179 Å²	179	138.9 Å²	138.9	88%	0.882	77%	0.773	S	S	*	*			trans	-94	168.7	154.6	-93.8	-176.5	148.7	0	0	110.1
829	S	32.1	Very low	32.7	Very low	76 Å²	76	140.5 Å²	140.5	53%	0.531	77%	0.771	S	S	.	*			cis	-179.8	-176.5	-23.1	57.2	0	0	0	0	109.9
830	I	29.7	Very low	33.7	Very low	149 Å²	149	140.8 Å²	140.8	76%	0.764	77%	0.771	S	S	*	*			trans	77.7	152.3	161.3	-62.6	154.7	0	0	0	117.2
831	I	31.5	Very low	33.8	Very low	132 Å²	132	140.6 Å²	140.6	68%	0.677	77%	0.765	S	S	*	*				168.6	132.1	-55.7	-88.1	167.4	0	0	0	109.6
832	Q	30.8	Very low	33.8	Very low	149 Å²	149	143.1 Å²	143.1	70%	0.696	76%	0.762	S	S	*	*			trans	49.2	150.5	158.4	-76.7	171.9	-98.7	0	0	123.9	D834	Q832-D834 PolarHBondContact NE2-OD1 3.05Å
833	T	28.6	Very low	33.8	Very low	140 Å²	140	143.7 Å²	143.7	86%	0.859	76%	0.762	S	S	*	*			trans	-136.1	140.8	150.5	47.7	0	0	0	0	108.3
834	D	30	Very low	33.5	Very low	138 Å²	138	141 Å²	141	74%	0.738	76%	0.758	S	S	*	*			trans	-110	174.6	-174.6	-72.9	-50.3	0	0	0	113.9	Q832	Q832-D834 PolarHBondContact NE2-OD1 3.05Å
835	N	31.1	Very low	32.7	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	77%	0.766	S	S	*	*			trans	-113.2	-174.4	-175.1	-97.6	-42.2	0	0	0	112.8
836	F	33.6	Very low	32.7	Very low	201 Å²	201	145.2 Å²	145.2	88%	0.882	76%	0.764	S	S	*	*			trans	81.6	159.4	170.3	-70.9	-71.7	0	0	0	116.2
837	P	53.5	Low	32.6	Very low	124 Å²	124	144.3 Å²	144.3	81%	0.805	76%	0.755	S	S	*	*			cis	-142.3	171.7	28.5	43.8	-25.5	0	0	0	119.6
838	A	28.7	Very low	32.5	Very low	94 Å²	94	142.2 Å²	142.2	78%	0.777	76%	0.756	S	S	*	*				162.1	112.8	125.6	0	0	0	0	0	115.6
839	E	32.2	Very low	32.4	Very low	165 Å²	165	142 Å²	142	77%	0.771	75%	0.75	S	S	*	*			trans	-3.9	-179.5	135.1	-88.8	-176.6	-141.2	0	0	123.3
840	P	51.8	Low	32.3	Very low	101 Å²	101	143.5 Å²	143.5	66%	0.656	76%	0.756	S	S	*	*			cis	-141.6	155.5	2	19	7.7	0	0	0	120
841	N	32.6	Very low	32.2	Very low	123 Å²	123	145 Å²	145	66%	0.658	76%	0.759	S	S	*	*				55	159.9	129.5	-54.8	-34.6	0	0	0	122.9
842	Y	30.1	Very low	32.2	Very low	181 Å²	181	143.3 Å²	143.3	71%	0.71	76%	0.76	S	S	*	*			cis	-163.1	157.3	-0.9	-134.5	-143.2	0	0	0	113.7
843	M	29.6	Very low	32.2	Very low	162 Å²	162	141 Å²	141	80%	0.798	76%	0.76	S	S	*	*			trans	37.9	152.6	152.5	-68.2	-174	174.2	0	0	123.4
844	G	29.4	Very low	32.3	Very low	67 Å²	67	139.7 Å²	139.7	69%	0.691	76%	0.756	S	S	*	*			cis	154	158.2	-6.8	0	0	0	0	0	114.6
845	S	29.6	Very low	32.4	Very low	126 Å²	126	139 Å²	139	88%	0.881	76%	0.757	S	S	*	*			trans	72.4	159.4	169.5	-64.2	0	0	0	0	119.8
846	R	30.3	Very low	32.2	Very low	206 Å²	206	140.7 Å²	140.7	78%	0.777	76%	0.758	S	S	*	*			cis	-173.4	145.1	-31.7	-170.7	-179	-172	-151.1	6.7	110.3
847	Q	28.8	Very low	32	Very low	133 Å²	133	138.9 Å²	138.9	62%	0.621	75%	0.75	S	S	*	*			trans	67.2	136.9	160.2	-86.7	161.6	-57.8	0	0	120.9
848	Q	29.2	Very low	30.8	Very low	193 Å²	193	140.1 Å²	140.1	90%	0.902	75%	0.75	S	S	*	*			trans	-124.4	161.2	149.6	-86.2	-172.4	-20	0	0	108.7
849	F	27.7	Very low	31.8	Very low	175 Å²	175	140.7 Å²	140.7	77%	0.768	75%	0.745	S	S	*	*			trans	-141.8	127.6	170.4	-121.1	-104	0	0	0	109.4
850	V	30.3	Very low	31.8	Very low	107 Å²	107	140.7 Å²	140.7	65%	0.648	75%	0.745	S	S	*	*			trans	40	122.8	134.5	-175.3	0	0	0	0	116.7
851	Q	27.3	Very low	30.8	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	75%	0.754	S	S	*	*				-160.1	172.8	63.2	-148.6	140	23.3	0	0	115.5
852	S	30.5	Very low	30.8	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	76%	0.756	S	S	*	*			trans	-71.1	178.7	-178	59	0	0	0	0	114.1
853	S	30.8	Very low	30.8	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	76%	0.759	S	S	*	*			cis	-170.8	155.5	26.6	-10.3	0	0	0	0	113
854	S	31.1	Very low	31	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	76%	0.758	S	S	*	*			trans	50	146.1	139.1	-125.2	0	0	0	0	121
855	T	31.5	Very low	31.2	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	76%	0.764	S	S	*	*			cis	-153	134.7	33.1	42.6	0	0	0	0	115.2
856	F	27.5	Very low	31.3	Very low	185 Å²	185	148.2 Å²	148.2	81%	0.811	76%	0.757	S	S	*	*			trans	18.5	140.5	135.5	-133.1	-133.9	0	0	0	124.3
857	K	29.4	Very low	31.5	Very low	163 Å²	163	144 Å²	144	71%	0.709	76%	0.759	S	S	*	*			trans	83.3	105.3	152.4	-89.1	179.9	174.6	-178.1	0	122.9
858	D	29.5	Very low	31.7	Very low	150 Å²	150	141 Å²	141	80%	0.802	76%	0.764	S	S	*	*				21.3	156.7	108.4	-60.3	-44.4	0	0	0	121.7
859	P	47.7	Very low	32.1	Very low	106 Å²	106	141 Å²	141	69%	0.688	76%	0.763	S	S	*	*			cis	-135	179.9	7.8	32.9	-11.2	0	0	0	116.6
860	E	33.5	Very low	32.4	Very low	165 Å²	165	135.7 Å²	135.7	77%	0.771	76%	0.758	S	S	*	*			trans	39.9	139.9	149.2	-71.9	-173.6	-141.2	0	0	120.9
861	R	30.9	Very low	32.6	Very low	220 Å²	220	137.4 Å²	137.4	83%	0.83	76%	0.764	S	S	*	*			cis	-174.3	155.9	40.6	-144.9	177.1	-169.5	-147.4	-1	112.8
862	A	31.5	Very low	33.3	Very low	86 Å²	86	133.7 Å²	133.7	71%	0.711	76%	0.758	S	S	*	*			trans	41.8	110.3	149.6	0	0	0	0	0	122.6
863	S	31	Very low	33.8	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	75%	0.753	S	S	*	*				31.9	118.6	122.2	-170.7	0	0	0	0	120.8
864	L	33.8	Very low	34.4	Very low	149 Å²	149	137.6 Å²	137.6	78%	0.78	76%	0.757	S	S	*	*				-176.2	142.6	115.6	-100.1	165.3	0	0	0	114.1
865	R	33.4	Very low	35	Very low	218 Å²	218	136 Å²	136	82%	0.823	75%	0.752	S	S	*	*			trans	30.3	126.8	145.9	-82.6	-173.4	179.7	-154.2	-0.9	123.1
866	D	31.4	Very low	35.2	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	76%	0.757	S	S	*	*				83.5	134.8	117.5	-160.3	16.3	0	0	0	121.1
867	S	34.6	Very low	35.8	Very low	117 Å²	117	134 Å²	134	82%	0.818	75%	0.753	S	S	*	*			trans	57.5	150.2	171.8	67.9	0	0	0	0	118.3
868	G	32.8	Very low	36.4	Very low	71 Å²	71	132.5 Å²	132.5	73%	0.732	75%	0.752	S	S	*	*			cis	-171.7	-161.6	1	0	0	0	0	0	112
869	H	37.3	Very low	36.8	Very low	191 Å²	191	133.2 Å²	133.2	88%	0.884	75%	0.751	S	S	*	*			trans	-54.4	150.7	176.8	-58	-52.9	0	0	0	113.1
870	G	34.4	Very low	36.2	Very low	64 Å²	64	133.7 Å²	133.7	66%	0.66	75%	0.748	S	S	*	*				104.5	157.1	79.2	0	0	0	0	0	108.9
871	D	35.5	Very low	36.2	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	75%	0.747	S	S	*	*			cis	-153.1	179.7	-2.9	-71.5	-53.1	0	0	0	107.6
872	S	41.1	Very low	36.3	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	74%	0.737	S	S	*	*			trans	67.9	159.5	146.5	-83.2	0	0	0	0	119.4
873	D	41.8	Very low	36.4	Very low	112 Å²	112	132 Å²	132	60%	0.599	74%	0.744	S	S	*	*			cis	-158.1	159.3	-5.7	-120.6	-41.2	0	0	0	111.9
874	Q	43.3	Very low	36.2	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	75%	0.747	S	S	*	*			trans	45.7	161.5	140.8	-71.2	161.4	49.6	0	0	122.5
875	A	43.7	Very low	36	Very low	81 Å²	81	129 Å²	129	67%	0.669	75%	0.748	S	S	*	*			cis	-171.9	169.1	-25.3	0	0	0	0	0	108.9
876	D	35.8	Very low	35.6	Very low	160 Å²	160	124 Å²	124	86%	0.856	75%	0.745	S	S	*	*			trans	157.7	153.1	151.5	-94	-8.3	0	0	0	110.4
877	S	39	Very low	35.3	Very low	104 Å²	104	123 Å²	123	73%	0.727	75%	0.747	S	S	*	*			cis	-174.4	155.7	-20	47.6	0	0	0	0	107.4
878	D	42.4	Very low	34.8	Very low	131 Å²	131	124 Å²	124	70%	0.701	74%	0.743	S	S	*	*			cis	-165	169.6	-19.9	178.6	30	0	0	0	108
879	Q	38.8	Very low	34.4	Very low	165 Å²	165	127.6 Å²	127.6	77%	0.771	74%	0.743	S	S	*	*			trans	69.1	145.4	165	-71.4	152.1	50.7	0	0	121.2
880	D	33.9	Very low	33.9	Very low	117 Å²	117	123.6 Å²	123.6	63%	0.626	74%	0.736	S	S	*	*			cis	-165	148	-28.7	-172.6	38	0	0	0	106
881	T	34.4	Very low	33.6	Very low	122 Å²	122	125 Å²	125	75%	0.748	74%	0.742	S	S	*	*				-172.4	157.8	95.4	21.8	0	0	0	0	116.1
882	N	32.6	Very low	33.2	Very low	117 Å²	117	126 Å²	126	63%	0.626	74%	0.739	S	S	*	*			trans	-32.1	123.7	169.3	-63.4	-65.8	0	0	0	116.2
883	K	33.4	Very low	32.6	Very low	197 Å²	197	127.7 Å²	127.7	86%	0.857	74%	0.736	S	S	*	*				75.5	116.3	63.5	-71.1	175.1	-179.6	169.1	0	114.3
884	G	27.6	Very low	32	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	74%	0.739	S	S	*	*			trans	-169.2	132.6	173.3	0	0	0	0	0	113.8
885	S	28.3	Very low	31.3	Very low	115 Å²	115	125.1 Å²	125.1	80%	0.804	74%	0.738	S	S	*	*			trans	-53.5	164.3	-175.1	177.4	0	0	0	0	118.7
886	C	26	Very low	30.5	Very low	112 Å²	112	129.2 Å²	129.2	76%	0.757	74%	0.741	S	S	*	*			trans	-32.7	160.8	144.7	-175.8	0	0	0	0	115.5
887	C	24.1	Very low	30.3	Very low	115 Å²	115	128.2 Å²	128.2	78%	0.777	74%	0.735	S	S	*	*			trans	114.4	145.2	173.7	-70.1	0	0	0	0	113.7
888	D	25.4	Very low	29.9	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	74%	0.74	S	S	*	*			cis	-167.7	178.5	-20	-164.2	3.5	0	0	0	109.1
889	M	23.9	Very low	29.4	Very low	147 Å²	147	130 Å²	130	72%	0.724	74%	0.738	S	S	*	*			trans	71.3	98.8	148.9	-82.2	163.7	47.4	0	0	120.7
890	S	27.1	Very low	29	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	74%	0.742	S	S	*	*				63.1	131	106.3	-62.2	0	0	0	0	122.2
891	A	27.7	Very low	28.8	Very low	93 Å²	93	124.8 Å²	124.8	77%	0.769	75%	0.746	S	S	*	*			trans	74.4	161.2	146.8	0	0	0	0	0	115.9
892	K	26.7	Very low	28.5	Very low	166 Å²	166	125.7 Å²	125.7	72%	0.722	75%	0.751	S	S	*	*			cis	-161.5	165.3	-6.2	-140	177.9	169	-143.2	0	109.8
893	E	28.8	Very low	28.2	Very low	136 Å²	136	129.1 Å²	129.1	64%	0.636	76%	0.76	S	S	*	*			trans	63.4	122.1	157.8	-76.3	159.6	-146.9	0	0	116.2
894	A	29.1	Very low	28.5	Very low	81 Å²	81	124.9 Å²	124.9	67%	0.669	75%	0.753	S	S	*	*				61.5	132.2	73.5	0	0	0	0	0	111.7
895	L	28.4	Very low	29.4	Very low	144 Å²	144	126.2 Å²	126.2	75%	0.754	75%	0.747	S	S	*	*				-163.2	171.7	66.4	-78.3	164	0	0	0	108.1
896	K	27.4	Very low	30.4	Very low	168 Å²	168	125.3 Å²	125.3	73%	0.73	74%	0.739	S	S	*	*			cis	-169.4	165.5	28	-145.6	161	-170.1	170	0	111.3
897	L	32.4	Very low	30.6	Very low	139 Å²	139	126.7 Å²	126.7	73%	0.728	74%	0.738	S	S	*	*			trans	71.5	117.2	164.9	-55.1	175.5	0	0	0	115.1
898	K	28.7	Very low	31	Very low	191 Å²	191	128.2 Å²	128.2	83%	0.83	73%	0.734	S	S	*	*				87.3	139.2	51.7	-80.7	-160.3	178.1	-173.7	0	112.6
899	A	32.2	Very low	31.2	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	73%	0.732	S	S	*	*			cis	-172.1	154.1	-13.9	0	0	0	0	0	111.9
900	A	30.4	Very low	31.4	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	74%	0.735	S	S	*	*			trans	62.8	148	153	0	0	0	0	0	119.4
901	G	29.2	Very low	31.6	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	74%	0.737	S	S	*	*			cis	150.1	-178.5	-9.1	0	0	0	0	0	114.3
902	V	29.3	Very low	31.6	Very low	141 Å²	141	133.5 Å²	133.5	86%	0.855	73%	0.733	S	S	*	*			trans	78.7	76.3	162.4	-168	0	0	0	0	117.1
903	K	25.4	Very low	31.7	Very low	189 Å²	189	130.4 Å²	130.4	82%	0.822	73%	0.731	S	S	*	*				-15.9	168.7	120.7	-98.2	-174.7	179.4	-174	0	116.4
904	P	40.7	Very low	31.7	Very low	108 Å²	108	130.3 Å²	130.3	70%	0.701	74%	0.735	S	S	*	*			cis	-137.6	-133.1	-2.4	28.5	-0.1	0	0	0	112.4
905	P	45.6	Very low	31.7	Very low	108 Å²	108	133.1 Å²	133.1	70%	0.701	74%	0.738	S	S	*	*				-123.2	-144.4	-93.4	43.9	-24.7	0	0	0	110.7
906	P	50.1	Low	31.4	Very low	97 Å²	97	130.9 Å²	130.9	63%	0.63	73%	0.733	S	S	*	*			cis	-139.8	171.5	-11.2	31.5	-7.9	0	0	0	118.6
907	L	29.9	Very low	31.7	Very low	141 Å²	141	129.1 Å²	129.1	74%	0.738	74%	0.737	S	S	*	*			trans	71.5	142.4	159.5	-57.3	137.3	0	0	0	116.9
908	E	31.6	Very low	31.6	Very low	147 Å²	147	130.9 Å²	130.9	69%	0.687	74%	0.742	S	S	*	*			cis	-155.3	156.2	-2.4	-139.7	159.7	-165.5	0	0	112.5
909	Q	29.7	Very low	31.8	Very low	148 Å²	148	129 Å²	129	69%	0.692	74%	0.736	S	S	*	*			trans	64.8	103.6	167.1	-73.2	149.5	34.7	0	0	117.3
910	D	29.1	Very low	31.6	Very low	148 Å²	148	129.9 Å²	129.9	79%	0.791	74%	0.736	S	S	*	*			cis	97.4	129.9	49.6	-70.6	-4.1	0	0	0	109.9
911	E	31.1	Very low	31.5	Very low	171 Å²	171	135 Å²	135	80%	0.799	73%	0.733	S	S	*	*			cis	-139.1	133.3	-30.2	-91.6	-164	141	0	0	105
912	D	28.5	Very low	31.6	Very low	128 Å²	128	138.2 Å²	138.2	68%	0.684	74%	0.739	S	S	*	*				59.2	136.7	88.1	-92.9	-7.7	0	0	0	114.9
913	C	28	Very low	31.6	Very low	101 Å²	101	138.6 Å²	138.6	68%	0.682	74%	0.735	S	S	*	*			cis	-139.2	155.1	7.9	-102.5	0	0	0	0	109.4
914	L	30	Very low	31.8	Very low	134 Å²	134	132.5 Å²	132.5	70%	0.702	73%	0.726	S	S	*	*				60.2	136.8	58.5	-65.8	163.5	0	0	0	113.7
915	N	27.3	Very low	31.3	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	73%	0.734	S	S	*	*			cis	-161.8	174.4	-20.4	-156.9	2.8	0	0	0	110
916	C	23.4	Very low	30.6	Very low	97 Å²	97	135.4 Å²	135.4	66%	0.655	73%	0.731	S	S	*	*			trans	-65.7	164.5	159.9	-60.7	0	0	0	0	110.7
917	T	32.4	Very low	29.7	Very low	132 Å²	132	138.6 Å²	138.6	81%	0.81	74%	0.743	S	S	*	*			cis	-165.7	-157.1	6.2	0.9	0	0	0	0	109
918	E	31.7	Very low	29.8	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	75%	0.75	S	S	*	*			trans	109.7	141.5	165.3	-62.3	-176.6	167.7	0	0	113.9
919	E	32.6	Very low	29.7	Very low	150 Å²	150	141.9 Å²	141.9	70%	0.701	76%	0.756	S	S	*	*			cis	-162.8	170.7	-14	-105.3	-156.5	140	0	0	106.1
920	C	27.5	Very low	29.5	Very low	101 Å²	101	147 Å²	147	68%	0.682	77%	0.769	S	S	*	*			cis	163.4	158	-30.8	-100.8	0	0	0	0	107.5
921	R	29.4	Very low	29.2	Very low	212 Å²	212	147.4 Å²	147.4	80%	0.8	77%	0.768	S	S	*	*			trans	71.2	140.3	-177.8	-58.4	-179.5	166.2	97.6	1.1	113.6
922	V	29.5	Very low	29.9	Very low	134 Å²	134	144.3 Å²	144.3	81%	0.812	76%	0.763	S	S	*	*	S	Bend	cis	-102.6	123.1	41.2	178.1	0	0	0	0	114.9
923	L	29.4	Very low	29.7	Very low	149 Å²	149	147.7 Å²	147.7	78%	0.78	77%	0.774	S	S	*	*	S	Bend	trans	39.8	110.2	151.9	-52.4	172	0	0	0	119.4
924	G	30.4	Very low	29.8	Very low	62 Å²	62	152.1 Å²	152.1	64%	0.639	78%	0.782	S	S	*	*			cis	163.2	154.6	-8.5	0	0	0	0	0	114.5
925	H	29.5	Very low	30.4	Very low	186 Å²	186	151.4 Å²	151.4	86%	0.861	79%	0.786	S	S	*	*			trans	66.4	134.3	171.7	-52.1	-86.7	0	0	0	117.3
926	S	31.6	Very low	30.4	Very low	91 Å²	91	149.2 Å²	149.2	64%	0.636	79%	0.787	S	S	*	*			cis	-163	131.9	-14.5	48.1	0	0	0	0	112.4
927	D	32	Very low	30.7	Very low	164 Å²	164	148.8 Å²	148.8	88%	0.877	80%	0.799	S	S	*	*			trans	67.7	167.5	148.3	-50.6	-29.6	0	0	0	121.2
928	R	31.4	Very low	30.5	Very low	237 Å²	237	146.2 Å²	146.2	89%	0.894	80%	0.799	S	S	*	*			trans	-119.6	149.1	-155.7	-70.1	-179.2	173.1	-173.6	-1.9	114.9
929	C	28.9	Very low	30.3	Very low	120 Å²	120	145.4 Å²	145.4	81%	0.811	80%	0.8	S	S	*	*			trans	1.4	128.3	147.7	-45.2	0	0	0	0	119.6
930	W	25.6	Very low	30.3	Very low	256 Å²	256	147.5 Å²	147.5	97%	0.97	81%	0.81	S	S	*	*				-162.6	158.4	119.5	-123.9	41	0	0	0	114.3
931	M	24	Very low	30.5	Very low	156 Å²	156	146.9 Å²	146.9	77%	0.768	81%	0.812	S	S	*	*			trans	-131.2	164.6	164.3	-85.5	177.7	58.2	0	0	106.8
932	P	43.8	Very low	30.5	Very low	105 Å²	105	146.5 Å²	146.5	68%	0.682	82%	0.819	S	S	*	*			cis	-135.7	158.4	-39.8	37.8	-24	0	0	0	111.8
933	Q	25.5	Very low	30.5	Very low	199 Å²	199	143.2 Å²	143.2	93%	0.93	81%	0.813	S	S	*	*			trans	-150.5	147.9	153.7	-79.2	-151.1	0.9	0	0	113.4
934	F	30.1	Very low	30.6	Very low	194 Å²	194	143.4 Å²	143.4	85%	0.851	82%	0.82	S	S	*	*			trans	-72.6	157.3	163.8	-81.6	-83.6	0	0	0	109.9
935	P	41.4	Very low	30.9	Very low	120 Å²	120	147 Å²	147	78%	0.779	83%	0.825	S	S	*	*				-154.6	175.9	56	43.3	-22.2	0	0	0	119.6
936	A	29.1	Very low	31.1	Very low	92 Å²	92	145.9 Å²	145.9	76%	0.76	81%	0.814	S	S	*	*			trans	49.8	100	144.1	0	0	0	0	0	121.4
937	G	28.4	Very low	31.3	Very low	89 Å²	89	150.2 Å²	150.2	92%	0.918	82%	0.816	S	S	*	*				66.1	119.7	117.2	0	0	0	0	0	121.1
938	G	28	Very low	31.4	Very low	77 Å²	77	148.4 Å²	148.4	79%	0.794	81%	0.806	S	S	*	*			trans	-175.8	127.3	164	0	0	0	0	0	113.3
939	N	28.7	Very low	31.5	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	80%	0.797	S	S	*	*			trans	-96.8	132.7	178.3	-71.7	-16.8	0	0	0	112.1
940	Q	31.1	Very low	31.4	Very low	193 Å²	193	145.4 Å²	145.4	90%	0.902	80%	0.797	S	S	*	*			trans	-177.5	131.5	149.2	-99.6	143.2	94.5	0	0	107.3
941	A	31.8	Very low	31.5	Very low	88 Å²	88	142 Å²	142	73%	0.727	79%	0.789	S	S	*	*			cis	97	134.1	21.8	0	0	0	0	0	115.2
942	E	31.1	Very low	31.7	Very low	204 Å²	204	140.7 Å²	140.7	95%	0.953	79%	0.789	S	S	*	*			trans	68.7	145.9	177.6	-49.2	-175	159.8	0	0	115.9
943	G	27.9	Very low	31.3	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	79%	0.794	S	S	*	*			cis	-173.2	138.4	-10	0	0	0	0	0	109
944	V	32	Very low	31.4	Very low	153 Å²	153	136.6 Å²	136.6	93%	0.927	79%	0.788	S	S	*	*				66	123.2	77.9	176.8	0	0	0	0	113.4
945	D	36.1	Very low	31.3	Very low	138 Å²	138	130.6 Å²	130.6	74%	0.738	78%	0.781	S	S	*	*			cis	-134.7	-122.1	-2.9	-170.6	2.5	0	0	0	110.6
946	Y	33.7	Very low	30.6	Very low	161 Å²	161	132.3 Å²	132.3	63%	0.631	78%	0.781	S	S	*	*			cis	-162.2	110.3	2	-162.1	27.7	0	0	0	114.1
947	R	36.5	Very low	30.4	Very low	182 Å²	182	135.9 Å²	135.9	69%	0.687	78%	0.782	S	S	*	*			trans	69.8	153.4	161.1	-71.8	175.8	175.4	154.7	5.8	119.4
948	N	34.8	Very low	30.6	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	78%	0.777	S	S	*	*			cis	-154.2	167.9	12.8	-141	15.9	0	0	0	115.2
949	N	32.7	Very low	30.5	Very low	131 Å²	131	139.2 Å²	139.2	70%	0.701	78%	0.779	S	S	*	*			trans	77.6	83	157.3	-67.6	0.6	0	0	0	122.8
950	M	27.8	Very low	30.7	Very low	164 Å²	164	136.1 Å²	136.1	81%	0.808	78%	0.776	S	S	*	*				60.8	138.9	112.8	-155.4	171.7	64.7	0	0	123.8
951	F	27.7	Very low	30.4	Very low	185 Å²	185	135.4 Å²	135.4	81%	0.811	77%	0.772	S	S	*	*			trans	96.8	151.5	169	-89.6	-75.4	0	0	0	119.6
952	V	26.7	Very low	30.1	Very low	127 Å²	127	136.5 Å²	136.5	77%	0.77	77%	0.77	S	S	*	*			trans	-134.6	150.4	-152	146.4	0	0	0	0	106.7
953	P	36.5	Very low	29.9	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	76%	0.762	S	S	*	*			cis	-136.6	151.6	38.1	24.4	-0	0	0	0	119.8
954	A	26.8	Very low	29.9	Very low	99 Å²	99	137.4 Å²	137.4	82%	0.818	77%	0.765	S	S	*	*			trans	-97.5	175.3	146	0	0	0	0	0	108.7
955	G	27.9	Very low	29.9	Very low	68 Å²	68	139.4 Å²	139.4	70%	0.701	76%	0.757	S	S	*	*			cis	122.2	123.8	1.3	0	0	0	0	0	112.7
956	M	27.1	Very low	29.4	Very low	157 Å²	157	140 Å²	140	77%	0.773	76%	0.756	S	S	*	*			trans	59.2	133.2	155.7	-70.2	172.3	70.8	0	0	122.8
957	E	25.9	Very low	29.1	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	76%	0.76	S	S	*	*			trans	68.6	158.4	134.9	-68.5	179.1	166.5	0	0	122.6
958	A	31.7	Very low	28.7	Very low	99 Å²	99	135.9 Å²	135.9	82%	0.818	77%	0.767	S	S	*	*			trans	-118.3	131.7	173.3	0	0	0	0	0	109.1
959	V	25.3	Very low	28.4	Very low	136 Å²	136	137 Å²	137	82%	0.824	77%	0.773	S	S	*	*			trans	-131.3	146.7	166.1	179.9	0	0	0	0	107.1
960	A	33.9	Very low	29	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	77%	0.769	S	S	*	*			trans	-104.4	138.8	175.4	0	0	0	0	0	110.2
961	E	25.3	Very low	29.1	Very low	177 Å²	177	134.9 Å²	134.9	83%	0.827	77%	0.771	S	S	*	*			trans	-121.9	123.1	169	-74.2	-164.4	145.7	0	0	110.7
962	T	25.5	Very low	29.3	Very low	111 Å²	111	130 Å²	130	68%	0.681	77%	0.773	S	S	*	*				13.2	151.3	118.5	49.8	0	0	0	0	118.1
963	E	26.2	Very low	29.5	Very low	167 Å²	167	133.4 Å²	133.4	78%	0.78	78%	0.777	S	S	*	*			cis	-167.8	171.8	-4.3	-118.4	174.5	-156.2	0	0	107.6
964	T	27.4	Very low	29.1	Very low	122 Å²	122	136.4 Å²	136.4	75%	0.748	78%	0.778	S	S	*	*			trans	177.9	146.5	133.3	22.5	0	0	0	0	116.6
965	Y	32	Very low	29.4	Very low	195 Å²	195	137.8 Å²	137.8	77%	0.765	78%	0.776	S	S	*	*			trans	55.6	90.7	152.8	-70.2	-67.3	0	0	0	122.8
966	E	25.8	Very low	29.2	Very low	150 Å²	150	144.7 Å²	144.7	70%	0.701	79%	0.787	S	S	*	*				59.1	126.1	108.5	-76.1	-158.3	119.5	0	0	124.9
967	T	27.2	Very low	29.2	Very low	118 Å²	118	142.7 Å²	142.7	72%	0.724	79%	0.788	S	S	*	*			trans	94.8	143.8	134	65.4	0	0	0	0	123.1
968	V	28.8	Very low	29.5	Very low	139 Å²	139	140.5 Å²	140.5	84%	0.842	79%	0.786	S	S	*	*			trans	79.6	102	165	-163.9	0	0	0	0	119.1
969	N	28.8	Very low	29.4	Very low	149 Å²	149	146 Å²	146	80%	0.797	79%	0.792	S	S	*	*			trans	-70.6	158.2	159.9	-156	26.9	0	0	0	109.7
970	P	44.8	Very low	29.5	Very low	93 Å²	93	143 Å²	143	60%	0.604	79%	0.788	S	S	*	*			cis	-148.5	-169.2	24.4	43.9	-22	0	0	0	118.4
971	N	30.8	Very low	29.3	Very low	159 Å²	159	147 Å²	147	85%	0.85	79%	0.788	S	S	*	*			trans	71.4	105.5	163.4	-63.8	-33	0	0	0	118.4
972	G	30	Very low	29.5	Very low	83 Å²	83	144 Å²	144	86%	0.856	77%	0.774	S	S	*	*			trans	-157.9	118.3	167	0	0	0	0	0	113.1
973	K	31.4	Very low	29.6	Very low	198 Å²	198	148.5 Å²	148.5	86%	0.861	78%	0.778	S	S	*	*			trans	-98.1	138.2	-178.6	-81.7	174.9	179.8	167.8	0	112.2
974	K	29.2	Very low	29.8	Very low	181 Å²	181	151 Å²	151	79%	0.787	78%	0.78	S	S	*	*			trans	73.9	139.2	141.7	-75.9	-176.2	172.3	-169.2	0	121.5
975	T	31.6	Very low	29.8	Very low	128 Å²	128	150.5 Å²	150.5	79%	0.785	77%	0.773	S	S	*	*			trans	61.4	114.7	140.2	54.8	0	0	0	0	121
976	F	24.8	Very low	29.7	Very low	213 Å²	213	150.5 Å²	150.5	93%	0.934	78%	0.779	S	S	*	*			trans	-62	142.7	146.5	-86.2	-102.5	0	0	0	111.5
977	C	28	Very low	29.8	Very low	116 Å²	116	149.4 Å²	149.4	78%	0.784	78%	0.783	S	S	*	*			trans	-162.7	150.1	150.5	-115.1	0	0	0	0	112.1
978	T	30.8	Very low	29.9	Very low	121 Å²	121	151.3 Å²	151.3	74%	0.742	79%	0.787	S	S	*	*			trans	56.8	112	155.8	52.6	0	0	0	0	121.3
979	F	29.3	Very low	29.9	Very low	214 Å²	214	151.3 Å²	151.3	94%	0.939	78%	0.782	S	S	*	*				36.1	115.7	122.5	-86.4	-96.5	0	0	0	120
980	G	28.5	Very low	29.9	Very low	72 Å²	72	151.3 Å²	151.3	74%	0.742	79%	0.787	S	S	*	*				134.4	151.6	107.7	0	0	0	0	0	120.2
981	K	29.4	Very low	29.3	Very low	182 Å²	182	150.9 Å²	150.9	79%	0.791	79%	0.791	S	S	*	*			trans	82.1	113.6	145.6	-103.8	-169.7	175.3	-133.8	0	122.4
982	E	29.1	Very low	29.3	Very low	114 Å²	114	149.2 Å²	149.2	53%	0.533	78%	0.782	S	S	.	*				102.8	136.7	117.3	-124.6	-176.6	-96.1	0	0	121.1
983	R	27.7	Very low	29.3	Very low	205 Å²	205	150.8 Å²	150.8	77%	0.774	78%	0.775	S	S	*	*			trans	79.7	133	163.6	-55.8	177.8	-173.8	-152.5	-3.1	116.7
984	R	29.7	Very low	29.1	Very low	220 Å²	220	149.8 Å²	149.8	83%	0.83	77%	0.771	S	S	*	*			cis	74.9	133.8	37.1	-68.6	-153.5	-148.3	160.9	5	113.7
985	D	28.6	Very low	30.4	Very low	110 Å²	110	146.2 Å²	146.2	59%	0.588	77%	0.766	S	S	*	*			cis	-146.1	162.1	-1	-84.3	-43.3	0	0	0	108.7
986	H	29.3	Very low	30.4	Very low	195 Å²	195	150.1 Å²	150.1	90%	0.903	77%	0.768	S	S	*	*				-174.3	143	115.2	-89.5	-15.2	0	0	0	113.6
987	T	29	Very low	30.8	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	76%	0.758	S	S	*	*			trans	-133.8	127.7	-167.4	-50.1	0	0	0	0	110.5
988	I	28.5	Very low	31	Very low	159 Å²	159	150.2 Å²	150.2	82%	0.815	76%	0.76	S	S	*	*			trans	-149.1	135.8	166.6	-72.5	-167.9	0	0	0	107.6
989	L	28.9	Very low	31	Very low	139 Å²	139	149.5 Å²	149.5	73%	0.728	77%	0.766	S	S	*	*			cis	-157	141.9	-19.8	-112.7	177.7	0	0	0	108.2
990	V	27.9	Very low	31.4	Very low	148 Å²	148	149.3 Å²	149.3	90%	0.897	77%	0.765	S	S	*	*			trans	-136.1	130.7	156.6	179.9	0	0	0	0	108.2
991	A	32.8	Very low	31.3	Very low	84 Å²	84	158 Å²	158	69%	0.694	78%	0.776	S	S	*	*			trans	-152.8	157.3	179.9	0	0	0	0	0	107.9
992	N	30.7	Very low	31.6	Very low	124 Å²	124	153.8 Å²	153.8	66%	0.663	78%	0.775	S	S	*	*			cis	-150.1	176.3	-0.2	-148.3	6.8	0	0	0	105.7
993	V	30.3	Very low	31.6	Very low	116 Å²	116	156.8 Å²	156.8	70%	0.703	79%	0.793	S	S	*	*			cis	-146.7	161.4	17.7	-136.6	0	0	0	0	105.9
994	K	27.6	Very low	31.6	Very low	177 Å²	177	151.9 Å²	151.9	77%	0.77	79%	0.79	S	S	*	*			cis	69.4	162.9	19.3	-71.7	172.2	-178.3	170.6	0	114.8
995	P	55.7	Low	32.3	Very low	106 Å²	106	146.9 Å²	146.9	69%	0.688	79%	0.787	S	S	*	*			cis	-97.8	-157.8	-9.1	44.9	-35.9	0	0	0	109.7
996	Y	32.3	Very low	32.2	Very low	211 Å²	211	148.9 Å²	148.9	83%	0.827	80%	0.796	S	S	*	*			cis	-147.5	-155.9	-7.7	-132.4	-21.9	0	0	0	107.3
997	L	32.9	Very low	32.1	Very low	137 Å²	137	145.8 Å²	145.8	72%	0.717	79%	0.786	S	S	*	*			cis	-145.9	-160.2	-3.8	-136.1	-176.4	0	0	0	108.1
998	K	31.5	Very low	32	Very low	194 Å²	194	147.5 Å²	147.5	84%	0.843	79%	0.785	S	S	*	*			trans	-152.6	153.4	169.5	-77.4	-178	177.8	172.9	0	111
999	A	30.4	Very low	31.8	Very low	105 Å²	105	148 Å²	148	87%	0.868	78%	0.784	S	S	*	*			trans	-151.1	148.3	151.4	0	0	0	0	0	111.7
1000	K	37.8	Very low	31.6	Very low	210 Å²	210	147.5 Å²	147.5	91%	0.913	79%	0.786	S	S	*	*			trans	-129.6	131.9	165.7	-100.9	-167.2	175.9	-171.9	0	107.8
1001	R	28.2	Very low	32.2	Very low	256 Å²	256	145.8 Å²	145.8	97%	0.966	78%	0.778	S	S	*	*			trans	-159.8	156.7	151.9	-123.2	173.9	-175.7	159.1	1.9	110.2
1002	A	35	Very low	31.8	Very low	93 Å²	93	146.7 Å²	146.7	77%	0.769	78%	0.779	S	S	*	*			trans	-129.3	155.2	174.1	0	0	0	0	0	108.7
1003	L	27.9	Very low	31.6	Very low	176 Å²	176	145.4 Å²	145.4	92%	0.921	79%	0.786	S	S	*	*			trans	-162.4	156.1	164.5	-109.5	164.5	0	0	0	109.6
1004	S	28.4	Very low	31.5	Very low	102 Å²	102	145.2 Å²	145.2	71%	0.713	79%	0.79	S	S	*	*			trans	-118.4	166.5	-177.9	-50.5	0	0	0	0	111.1
1005	P	45.3	Very low	31.5	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	80%	0.795	S	S	*	*				-121	144.2	120.8	-3.8	25.2	0	0	0	111.6
1006	L	26.8	Very low	30.5	Very low	151 Å²	151	143.1 Å²	143.1	79%	0.791	80%	0.8	S	S	*	*				64.6	130.5	82.5	-60.2	175.1	0	0	0	113
1007	L	26.7	Very low	31.3	Very low	131 Å²	131	138.4 Å²	138.4	69%	0.686	80%	0.795	S	S	*	*			cis	-156.2	166.5	13.4	-108.3	152.9	0	0	0	112.3
1008	Q	26.8	Very low	31.4	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	79%	0.794	S	S	*	*			trans	20.1	146.9	149.9	-102.7	163.2	-77.5	0	0	122.1
1009	E	24.2	Very low	31.6	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	79%	0.79	S	S	*	*			cis	-149.8	-177.3	41.3	-72.3	-165.5	132.7	0	0	116.1
1010	V	24.7	Very low	31.5	Very low	127 Å²	127	134.7 Å²	134.7	77%	0.77	78%	0.783	S	S	*	*			trans	-138.9	124.8	174.2	168.7	0	0	0	0	108.2
1011	P	39.7	Very low	31.1	Very low	113 Å²	113	130.2 Å²	130.2	73%	0.734	78%	0.777	S	S	*	*				-136	159.3	95.8	14.6	9.2	0	0	0	112.7
1012	S	25.1	Very low	31.3	Very low	102 Å²	102	123 Å²	123	71%	0.713	77%	0.765	S	S	*	*			cis	75.2	136.9	48.7	-56.9	0	0	0	0	115.9
1013	A	27.2	Very low	31	Very low	97 Å²	97	125.7 Å²	125.7	80%	0.802	77%	0.772	S	S	*	*			trans	65.4	143.5	178.1	0	0	0	0	0	116.7
1014	S	26.4	Very low	31.3	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	77%	0.771	S	S	*	*			cis	153.5	130.3	-26.4	53.3	0	0	0	0	106.9
1015	S	27.8	Very low	32.8	Very low	124 Å²	124	126 Å²	126	87%	0.867	77%	0.769	S	S	*	*			trans	-152.3	116.9	163.8	61.1	0	0	0	0	113.2
1016	S	35.1	Very low	33.9	Very low	114 Å²	114	125.8 Å²	125.8	80%	0.797	77%	0.767	S	S	*	*			trans	-158.4	150.6	158.9	69.6	0	0	0	0	108.2
1017	P	49.4	Very low	33.8	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	77%	0.768	S	S	*	*			trans	-141.8	106	164.7	34.8	-16.8	0	0	0	115.8
1018	T	36	Very low	34.1	Very low	112 Å²	112	122.9 Å²	122.9	69%	0.687	77%	0.77	S	S	*	*			trans	66.7	145.2	143.7	70.8	0	0	0	0	119.8
1019	K	34.6	Very low	34.4	Very low	177 Å²	177	119.2 Å²	119.2	77%	0.77	77%	0.767	S	S	*	*			cis	-130.2	178.5	5.3	-97.3	109	-163.4	158.8	0	109.5
1020	G	29.4	Very low	34.8	Very low	68 Å²	68	117.1 Å²	117.1	70%	0.701	77%	0.765	S	S	*	*			cis	96.3	154.1	16	0	0	0	0	0	112.3
1021	C	27.6	Very low	35	Very low	117 Å²	117	120.6 Å²	120.6	79%	0.791	77%	0.77	S	S	*	*			cis	-160.8	163.6	0.3	-75.7	0	0	0	0	108.8
1022	S	33.9	Very low	34.6	Very low	103 Å²	103	118.3 Å²	118.3	72%	0.72	77%	0.767	S	S	*	*			cis	176.7	124.4	-37.9	52	0	0	0	0	109.3
1023	T	28.8	Very low	35.7	Very low	151 Å²	151	119.8 Å²	119.8	93%	0.926	77%	0.774	S	S	*	*			trans	-137.4	158.3	171.9	40.8	0	0	0	0	112.6
1024	M	33.2	Very low	36	Very low	180 Å²	180	118.9 Å²	118.9	89%	0.887	77%	0.767	S	S	*	*			trans	-129.4	164.7	-149.3	-76.8	-82.4	-76.4	0	0	115.7
1025	P	60.3	Low	36.2	Very low	104 Å²	104	121.5 Å²	121.5	68%	0.675	77%	0.772	S	S	*	*			trans	-99.8	-153.8	176.3	44.9	-38.9	0	0	0	111.3
1026	P	67.3	Low	36.3	Very low	111 Å²	111	119.2 Å²	119.2	72%	0.721	77%	0.768	S	S	*	*			cis	-140.8	-147.8	-4.3	42.6	-19.8	0	0	0	115.4
1027	C	26.3	Very low	36.2	Very low	118 Å²	118	118.5 Å²	118.5	80%	0.797	77%	0.769	S	S	*	*			trans	87	153.9	163.9	-75.7	0	0	0	0	119.7
1028	S	32.9	Very low	35.4	Very low	104 Å²	104	123 Å²	123	73%	0.727	78%	0.78	S	S	*	*			cis	-175.1	153.6	-20.1	54.4	0	0	0	0	116.1
1029	A	33	Very low	35.1	Very low	85 Å²	85	121.3 Å²	121.3	70%	0.702	79%	0.786	S	S	*	*			trans	77.8	120.6	139.2	0	0	0	0	0	125.3
1030	V	31.9	Very low	34.9	Very low	126 Å²	126	123 Å²	123	76%	0.764	79%	0.793	S	S	*	*				79.7	133.6	122.4	174.8	0	0	0	0	123.7
1031	K	30	Very low	36.1	Very low	201 Å²	201	124.7 Å²	124.7	87%	0.874	79%	0.791	S	S	*	*			trans	82.7	140	155	-90.8	170.4	-175.8	-179.8	0	122.9
1032	G	30	Very low	37.2	Very low	65 Å²	65	124.7 Å²	124.7	67%	0.67	79%	0.79	S	S	*	*			trans	-96	-153.9	153.1	0	0	0	0	0	111.4
1033	P	49.5	Very low	38.3	Very low	132 Å²	132	125.2 Å²	125.2	86%	0.857	79%	0.791	S	S	*	*			cis	-153.1	-163	41.6	42.3	-19.5	0	0	0	117.4
1034	A	33.4	Very low	38.4	Very low	78 Å²	78	122 Å²	122	65%	0.645	78%	0.78	S	S	*	*			trans	97	116.5	141.3	0	0	0	0	0	123.4
1035	D	30.5	Very low	38.2	Very low	169 Å²	169	118.5 Å²	118.5	90%	0.904	77%	0.773	S	S	*	*			trans	65.5	149	131.1	-50.3	-18.3	0	0	0	123.5
1036	G	30.1	Very low	36.5	Very low	76 Å²	76	119.1 Å²	119.1	78%	0.784	78%	0.778	S	S	*	*			trans	-176.8	-29.4	177.5	0	0	0	0	0	122.7
1037	A	32.5	Very low	34.7	Very low	99 Å²	99	118.2 Å²	118.2	82%	0.818	78%	0.775	S	S	*	*			trans	60.5	130.8	171.6	0	0	0	0	0	122.8
1038	E	32.5	Very low	34.9	Very low	206 Å²	206	119 Å²	119	96%	0.963	77%	0.77	S	S	*	*			trans	27.6	137.2	145.2	-54.8	-169.1	117.7	0	0	125.3
1039	G	29.1	Very low	34.7	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	77%	0.77	S	S	*	*			trans	-175.6	150.5	162.7	0	0	0	0	0	112.7
1040	K	30.4	Very low	34.6	Very low	211 Å²	211	127.6 Å²	127.6	92%	0.917	78%	0.776	S	S	*	*			trans	-141	-176.1	-173.8	-116.7	-157.8	169.6	178.7	0	113.1
1041	P	55.5	Low	34.3	Very low	104 Å²	104	124.5 Å²	124.5	68%	0.675	77%	0.77	S	S	*	*			trans	-100.4	-155.9	-145.6	48.5	-40.9	0	0	0	112.1
1042	P	50.7	Low	35.4	Very low	117 Å²	117	121 Å²	121	76%	0.76	77%	0.767	S	S	*	*			cis	-129.6	-112.9	1.1	27.2	1.1	0	0	0	118.3
1043	P	57.2	Low	36.7	Very low	115 Å²	115	122.2 Å²	122.2	75%	0.747	76%	0.764	S	S	*	*				-130.6	-160.6	-113.4	43.5	-24.7	0	0	0	116.8
1044	A	29.7	Very low	35.8	Very low	84 Å²	84	123.7 Å²	123.7	69%	0.694	77%	0.765	S	S	*	*			trans	105.5	94.5	150.6	0	0	0	0	0	121.1
1045	S	28.4	Very low	35.7	Very low	105 Å²	105	123.4 Å²	123.4	73%	0.734	77%	0.769	S	S	*	*				35.3	142.6	118.2	64.3	0	0	0	0	125.2
1046	C	24.6	Very low	35.7	Very low	117 Å²	117	123.3 Å²	123.3	79%	0.791	76%	0.763	S	S	*	*			trans	99.1	115.7	139.6	-74.6	0	0	0	0	123.4
1047	S	29.5	Very low	35.7	Very low	93 Å²	93	128.9 Å²	128.9	65%	0.65	76%	0.762	S	S	*	*				93.8	108.8	118.6	-66.5	0	0	0	0	125
1048	I	30.4	Very low	35.4	Very low	134 Å²	134	131.6 Å²	131.6	69%	0.687	76%	0.762	S	S	*	*				81.1	132.4	114	-69.5	170.4	0	0	0	122.3
1049	H	29.8	Very low	35.2	Very low	156 Å²	156	126.7 Å²	126.7	72%	0.722	75%	0.75	S	S	*	*			trans	61.4	162.3	164.6	-61.9	-28.5	0	0	0	118
1050	Y	30.3	Very low	36.3	Very low	213 Å²	213	128 Å²	128	84%	0.835	75%	0.745	S	S	*	*			cis	-130	164	4.5	-104.4	-87	0	0	0	110.8
1051	G	26	Very low	36.3	Very low	62 Å²	62	123.1 Å²	123.1	64%	0.639	73%	0.733	S	S	*	*			trans	-96.2	-154.2	160.3	0	0	0	0	0	111.2
1052	P	53.3	Low	35.2	Very low	126 Å²	126	126 Å²	126	82%	0.818	74%	0.735	S	S	*	*			cis	-130.8	-136.4	-10.3	41.7	-20.9	0	0	0	108.9
1053	P	56.3	Low	34.2	Very low	92 Å²	92	127.8 Å²	127.8	60%	0.597	73%	0.733	S	S	*	*			cis	-133	-175.9	-27.5	41.4	-24.3	0	0	0	115.4
1054	D	31.3	Very low	33	Very low	163 Å²	163	127.5 Å²	127.5	87%	0.872	73%	0.729	S	S	*	*			trans	61.2	160.8	149	-59.6	-31.4	0	0	0	122.7
1055	G	31	Very low	33.3	Very low	72 Å²	72	133.5 Å²	133.5	74%	0.742	73%	0.734	S	S	*	*			trans	179.6	-54.2	172.8	0	0	0	0	0	119.4
1056	Q	31.4	Very low	33.5	Very low	167 Å²	167	133.3 Å²	133.3	78%	0.78	73%	0.725	S	S	*	*			trans	60.2	139.7	175.5	-79.4	-173.3	1.6	0	0	121.9
1057	Y	30.7	Very low	33.8	Very low	192 Å²	192	135.4 Å²	135.4	75%	0.753	72%	0.723	S	S	*	*			trans	80.1	138.6	139.3	-82.2	-51.1	0	0	0	126.2
1058	L	25.8	Very low	33.8	Very low	157 Å²	157	133.8 Å²	133.8	82%	0.822	72%	0.721	S	S	*	*			trans	88.6	110.8	140.8	-76.1	164	0	0	0	123.1
1059	S	28.1	Very low	34	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	73%	0.726	S	S	*	*			trans	-65.3	-171	152.1	-28.1	0	0	0	0	112.5
1060	P	51.7	Low	34.1	Very low	107 Å²	107	136.1 Å²	136.1	70%	0.695	73%	0.731	S	S	*	*			cis	-144.1	-160.3	-0.8	35.9	-11.3	0	0	0	116.2
1061	T	30.4	Very low	35.2	Very low	108 Å²	108	131.4 Å²	131.4	66%	0.663	73%	0.726	S	S	*	*			trans	89.8	105.7	141.8	38.7	0	0	0	0	124.2
1062	K	32.2	Very low	35.4	Very low	165 Å²	165	133.5 Å²	133.5	72%	0.717	73%	0.731	S	S	*	*				92.6	135.3	113.7	-87.8	176.1	172.6	-179.2	0	124.2
1063	Q	30.7	Very low	34.4	Very low	154 Å²	154	135.5 Å²	135.5	72%	0.72	73%	0.733	S	S	*	*			trans	74.7	148	139.5	-76.2	171.4	-42.7	0	0	118.5
1064	T	31.3	Very low	34.1	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.663	74%	0.74	S	S	*	*			cis	-151	138.9	6.1	-0.4	0	0	0	0	109.1
1065	R	36.3	Very low	35.3	Very low	210 Å²	210	133.6 Å²	133.6	79%	0.792	73%	0.73	S	S	*	*				75.1	140.6	89.4	-170.9	-178.5	-176.1	167.8	8.7	114.1
1066	D	31.8	Very low	35.4	Very low	102 Å²	102	135 Å²	135	55%	0.545	73%	0.729	S	S	.	*			cis	-134.8	-172.2	1	-124.9	-16.6	0	0	0	107.7
1067	Q	30.8	Very low	35.5	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	73%	0.73	S	S	*	*			cis	-158.7	171.4	1.2	-133.4	156	74.5	0	0	105.8
1068	G	30.2	Very low	36.6	Very low	60 Å²	60	130 Å²	130	62%	0.619	73%	0.726	S	S	*	*			cis	142.4	145.4	-7.9	0	0	0	0	0	113.1
1069	V	33.8	Very low	37	Very low	130 Å²	130	129.1 Å²	129.1	79%	0.788	73%	0.727	S	S	*	*			trans	73.7	130.2	166.6	-167.1	0	0	0	0	118.4
1070	Y	33.3	Very low	37.1	Very low	209 Å²	209	129 Å²	129	82%	0.82	73%	0.732	S	S	*	*			cis	169.3	178.3	-32.6	-103.9	-46.8	0	0	0	108.2
1071	P	54	Low	36	Very low	113 Å²	113	133.9 Å²	133.9	73%	0.734	74%	0.742	S	S	*	*			cis	-122.6	-159.6	-30.5	40.2	-21.5	0	0	0	110.3
1072	S	29.1	Very low	36.3	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	75%	0.75	S	S	*	*			cis	-156.1	140.9	10.9	51.7	0	0	0	0	114.3
1073	L	33	Very low	36.1	Very low	168 Å²	168	135.4 Å²	135.4	88%	0.88	76%	0.758	S	S	*	*			trans	-110.5	-160.3	151.4	-81.2	164	0	0	0	106.4
1074	P	50.4	Low	35.9	Very low	113 Å²	113	133 Å²	133	73%	0.734	77%	0.765	S	S	*	*			cis	-139.5	-123.9	6.1	33.7	-5.8	0	0	0	114.9
1075	P	54.8	Low	35.9	Very low	102 Å²	102	137.3 Å²	137.3	66%	0.662	78%	0.778	S	S	*	*				-111.4	-172	-91.6	33	-11.4	0	0	0	113
1076	S	33.8	Very low	35.5	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	78%	0.78	S	S	*	*			cis	63.1	151.6	36	111.1	0	0	0	0	114.6
1077	D	34.4	Very low	35.5	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	80%	0.799	S	S	*	*			cis	-153.8	-176	-10.8	-132.6	17.8	0	0	0	108.3
1078	P	52.7	Low	35.3	Very low	101 Å²	101	137 Å²	137	66%	0.656	80%	0.8	S	S	*	*			trans	-106.2	-178.6	-159.4	42.3	-40.2	0	0	0	117.8
1079	V	34.1	Very low	35.5	Very low	139 Å²	139	144.5 Å²	144.5	84%	0.842	81%	0.81	S	S	*	*			trans	70	114.9	164.7	-170	0	0	0	0	118.1
1080	A	29.4	Very low	35.4	Very low	101 Å²	101	145.7 Å²	145.7	84%	0.835	81%	0.81	S	S	*	*			trans	-123.2	153.7	157.3	0	0	0	0	0	109.9
1081	K	29.7	Very low	35.2	Very low	208 Å²	208	140.3 Å²	140.3	90%	0.904	80%	0.803	S	S	*	*			trans	-79.8	150.4	-168.9	-79	-174.5	174.3	-177	0	114.9
1082	V	37.1	Very low	34.1	Very low	136 Å²	136	142.4 Å²	142.4	82%	0.824	80%	0.803	S	S	*	*			trans	-57.6	129.6	163.6	178.7	0	0	0	0	111.6
1083	L	27.1	Very low	34.2	Very low	169 Å²	169	145.1 Å²	145.1	89%	0.885	80%	0.804	S	S	*	*			trans	167.2	112.4	136.4	-97.5	159.9	0	0	0	111.8
1084	A	27.5	Very low	34.2	Very low	105 Å²	105	141.5 Å²	141.5	87%	0.868	80%	0.799	S	S	*	*			trans	-165.5	136.5	153.9	0	0	0	0	0	110.1
1085	E	30.6	Very low	33.2	Very low	198 Å²	198	141.3 Å²	141.3	93%	0.925	81%	0.807	S	S	*	*			trans	-117.6	128.9	-174.8	175.6	-176.5	-171.1	0	0	110.7
1086	A	28.1	Very low	31.9	Very low	101 Å²	101	139.6 Å²	139.6	84%	0.835	81%	0.807	S	S	*	*			trans	-169.7	141	158.4	0	0	0	0	0	111.5
1087	R	31.6	Very low	31.8	Very low	255 Å²	255	143.9 Å²	143.9	96%	0.962	82%	0.816	S	S	*	*			trans	-113.9	134.7	174.6	-79.6	174.2	163.2	168.3	-6.3	111.9
1088	S	27.6	Very low	31.7	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	82%	0.816	S	S	*	*			trans	-156.4	102.6	151.5	-172	0	0	0	0	108
1089	R	33.3	Very low	30.7	Very low	217 Å²	217	147 Å²	147	82%	0.819	82%	0.819	S	S	*	*				59.2	106.1	92.8	-67.2	-161.5	175.2	-155.5	-0.8	112.6
1090	I	31.8	Very low	30.4	Very low	154 Å²	154	144.6 Å²	144.6	79%	0.79	81%	0.808	S	S	*	*				79.9	128.8	76.5	-75	168.8	0	0	0	109.8
1091	S	28.8	Very low	30.3	Very low	96 Å²	96	145.5 Å²	145.5	67%	0.671	80%	0.802	S	S	*	*			cis	-161.6	178.6	29.3	-147.9	0	0	0	0	116.1
1092	Q	30.5	Very low	30.1	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	80%	0.797	S	S	*	*			trans	73.6	130.7	156.6	-64.3	-161.6	-76.6	0	0	119.1
1093	E	31.5	Very low	29.8	Very low	163 Å²	163	143.6 Å²	143.6	76%	0.762	79%	0.792	S	S	*	*			cis	97.6	141.3	40.5	-78.5	176.3	160	0	0	112.8
1094	A	32.7	Very low	29.9	Very low	93 Å²	93	143.6 Å²	143.6	77%	0.769	79%	0.787	S	S	*	*			cis	-168.8	-176.3	-7.7	0	0	0	0	0	112.7
1095	A	30.9	Very low	29.8	Very low	109 Å²	109	143.2 Å²	143.2	90%	0.901	78%	0.784	S	S	*	*			trans	104.9	140.8	148.6	0	0	0	0	0	122.8
1096	G	26.8	Very low	29.9	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	78%	0.779	S	S	*	*			trans	108.6	95.9	170.6	0	0	0	0	0	115
1097	E	32.3	Very low	30.9	Very low	192 Å²	192	142.5 Å²	142.5	90%	0.897	77%	0.773	S	S	*	*				70.6	129.9	74.4	-63.7	-176.7	156.3	0	0	114.7
1098	M	31.3	Very low	31	Very low	165 Å²	165	137.9 Å²	137.9	81%	0.813	77%	0.767	S	S	*	*			cis	91.6	130.2	24.8	-167.2	164.6	-179.3	0	0	113.2
1099	E	31.8	Very low	31.1	Very low	153 Å²	153	137.2 Å²	137.2	72%	0.715	76%	0.762	S	S	*	*			cis	-147.8	-153.9	1.9	-147.2	-160.3	121.6	0	0	109.5
1100	C	28.8	Very low	30.9	Very low	89 Å²	89	132 Å²	132	60%	0.601	76%	0.759	S	S	*	*			cis	-165.7	177.5	2.1	-178.4	0	0	0	0	108.9
1101	V	26.6	Very low	30.9	Very low	119 Å²	119	135.3 Å²	135.3	72%	0.721	76%	0.762	S	S	*	*			trans	139	109.3	131.4	176	0	0	0	0	118.7
1102	L	26.2	Very low	31.1	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	77%	0.766	S	S	*	*			trans	69.7	166.1	147.7	-75.7	170.8	0	0	0	124.4
1103	E	30.1	Very low	31.3	Very low	152 Å²	152	134 Å²	134	71%	0.71	77%	0.773	S	S	*	*			trans	-121.9	-163.8	-157.2	-49	162.7	63.7	0	0	112
1104	Q	30.2	Very low	31.5	Very low	168 Å²	168	135.7 Å²	135.7	79%	0.785	78%	0.783	S	S	*	*			cis	-163.6	145.8	3.8	-157.9	-178.6	88.6	0	0	110
1105	A	24.6	Very low	32.1	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	78%	0.779	S	S	*	*			trans	173.2	150.7	148.5	0	0	0	0	0	114.5
1106	E	33.8	Very low	32.8	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.822	76%	0.76	S	S	*	*			trans	-107.3	174.4	162.1	-94.1	-114.7	-173.9	0	0	109.2
1107	P	48.7	Very low	34	Very low	108 Å²	108	136.6 Å²	136.6	70%	0.701	75%	0.753	S	S	*	*			cis	-130.5	142	4.3	37.2	-20.3	0	0	0	115.4
1108	D	32.9	Very low	34.7	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	73%	0.73	S	S	*	*			trans	-155.6	172.9	170.6	-138.6	-35.7	0	0	0	115
1109	S	29.5	Very low	35.9	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	72%	0.718	S	S	*	*			trans	-97.3	120.2	-158.9	53.1	0	0	0	0	116.1
1110	S	29.8	Very low	37.5	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	71%	0.705	S	S	*	*			trans	52.7	97.2	150.6	60.5	0	0	0	0	119.3
1111	R	31.1	Very low	38.9	Very low	224 Å²	224	126.9 Å²	126.9	85%	0.845	70%	0.701	S	S	*	*				178.7	147.1	125.4	-105	177.5	148	124.2	0.5	115.3
1112	D	33.5	Very low	40.2	Very low	141 Å²	141	125.4 Å²	125.4	75%	0.754	69%	0.69	S	S	*	*			trans	35.7	114.1	143.8	-50	-32.4	0	0	0	120.1
1113	G	33.7	Very low	41.8	Very low	85 Å²	85	122.3 Å²	122.3	88%	0.876	67%	0.673	S	S	*	*			trans	138.9	108.6	155.1	0	0	0	0	0	115.4
1114	M	35.8	Very low	43	Very low	198 Å²	198	119.5 Å²	119.5	98%	0.975	66%	0.663	S	S	*	*			trans	-127.3	138.1	162.2	-138.5	174.8	-169.7	0	0	108.7
1115	D	45.2	Very low	43.9	Very low	128 Å²	128	118 Å²	118	68%	0.684	65%	0.654	S	S	*	*			trans	-86.7	146.7	-162.4	-167.7	17.4	0	0	0	113.5
1116	A	47.4	Very low	45.2	Very low	62 Å²	62	119 Å²	119	51%	0.512	65%	0.645	S	S	.	*	H	α-helix	trans	-74.3	-36.8	-168.1	0	0	0	0	0	113.4	Q1118 V1119 V1120	A1116-Q1118 VanDerWaalsContact C-N 3.28Å; A1116-Q1118 PolarHBondContact O-N 2.9Å; A1116-V1119 PolarHBondContact O-N 2.81Å; A1116-V1120 PolarHBondContact O-N 2.78Å
1117	D	50.9	Low	46.2	Very low	96 Å²	96	115.4 Å²	115.4	51%	0.513	63%	0.63	S	S	.	*	H	α-helix	trans	-72.7	-16.6	-165.7	-73.9	-4.8	0	0	0	114.3	R1121	D1117-R1121 VanDerWaalsContact O-CZ 3.29Å; D1117-R1121 PolarHBondContact O-N 2.76Å; D1117-R1121 PolarHBondContact O-NH1 2.8Å
1118	Q	47.1	Very low	46	Very low	91 Å²	91	116.6 Å²	116.6	43%	0.425	63%	0.627	S	S	.	*	H	α-helix	trans	-76	-38.8	172.9	-174.9	53	38	0	0	112	A1116 V1120 R1121 D1122	A1116-Q1118 VanDerWaalsContact C-N 3.28Å; A1116-Q1118 PolarHBondContact O-N 2.9Å; Q1118-V1120 VanDerWaalsContact C-N 3.26Å; Q1118-V1120 PolarHBondContact O-N 3.21Å; Q1118-R1121 PolarHBondContact O-N 3.47Å; Q1118-R1121 VanDerWaalsContact OE1-NE 3.16Å; Q1118-D1122 PolarHBondContact NE2-OD1 2.79Å; Q1118-D1122 PolarHBondContact NE2-OD2 3.48Å; Q1118-D1122 PolarHBondContact O-N 3.41Å
1119	V	57.2	Low	46.6	Very low	92 Å²	92	114.8 Å²	114.8	56%	0.558	62%	0.617	S	S	*	*	H	α-helix	trans	-63.5	-36.9	176.5	-177.8	0	0	0	0	110.5	A1116 I1123	A1116-V1119 PolarHBondContact O-N 2.81Å; V1119-I1123 HydrophobicContact CG1-CD1 3.92Å; V1119-I1123 WeakPolarHBondContact O-CD1 3.01Å; V1119-I1123 VanDerWaalsContact O-CG1 3.29Å; V1119-I1123 WeakPolarHBondContact O-CG1 3.34Å; V1119-I1123 PolarHBondContact O-N 2.83Å
1120	V	64	Low	47.3	Very low	74 Å²	74	115.1 Å²	115.1	45%	0.448	62%	0.618	S	S	.	*	H	α-helix	trans	-63.2	-44.8	175.8	178.6	0	0	0	0	111.8	A1116 Q1118 D1122 I1123 D1124	A1116-V1120 PolarHBondContact O-N 2.78Å; Q1118-V1120 VanDerWaalsContact C-N 3.26Å; Q1118-V1120 PolarHBondContact O-N 3.21Å; V1120-D1122 PolarHBondContact O-N 2.77Å; V1120-I1123 PolarHBondContact O-N 3.3Å; V1120-D1124 PolarHBondContact O-N 2.77Å
1121	R	57.9	Low	48	Very low	138 Å²	138	120.6 Å²	120.6	52%	0.521	62%	0.622	S	S	.	*	H	α-helix	trans	-65.1	-37.6	-179.2	-75.6	-174.4	-67.8	-92.4	2	113.5	D1117 Q1118 I1123 K1125	D1117-R1121 VanDerWaalsContact O-CZ 3.29Å; D1117-R1121 PolarHBondContact O-N 2.76Å; D1117-R1121 PolarHBondContact O-NH1 2.8Å; Q1118-R1121 PolarHBondContact O-N 3.47Å; Q1118-R1121 VanDerWaalsContact OE1-NE 3.16Å; R1121-I1123 VanDerWaalsContact C-N 3.33Å; R1121-K1125 WeakPolarHBondContact O-CB 3.2Å; R1121-K1125 PolarHBondContact O-N 2.88Å; R1121-K1125 VanDerWaalsContact O-N 3.14Å
1122	D	55.3	Low	48.3	Very low	89 Å²	89	118.3 Å²	118.3	48%	0.476	62%	0.621	S	S	.	*	H	α-helix	trans	-74.2	-25.9	177.7	-66.5	-39.7	0	0	0	112	Q1118 V1120 L1126	Q1118-D1122 PolarHBondContact NE2-OD1 2.79Å; Q1118-D1122 PolarHBondContact NE2-OD2 3.48Å; Q1118-D1122 PolarHBondContact O-N 3.41Å; V1120-D1122 PolarHBondContact O-N 2.77Å; D1122-L1126 PolarHBondContact O-N 3.46Å
1123	I	59.3	Low	48.4	Very low	87 Å²	87	116.8 Å²	116.8	45%	0.446	62%	0.622	S	S	.	*	H	α-helix	trans	-73.5	-49.1	170.5	-71.5	169.2	0	0	0	111.7	V1119 V1120 R1121 K1125 L1126 L1127	V1119-I1123 HydrophobicContact CG1-CD1 3.92Å; V1119-I1123 WeakPolarHBondContact O-CD1 3.01Å; V1119-I1123 VanDerWaalsContact O-CG1 3.29Å; V1119-I1123 WeakPolarHBondContact O-CG1 3.34Å; V1119-I1123 PolarHBondContact O-N 2.83Å; V1120-I1123 PolarHBondContact O-N 3.3Å; R1121-I1123 VanDerWaalsContact C-N 3.33Å; I1123-K1125 VanDerWaalsContact C-N 3.26Å; I1123-K1125 PolarHBondContact O-N 3.12Å; I1123-L1126 PolarHBondContact O-N 3.34Å; I1123-L1126 VanDerWaalsContact O-N 3.15Å; I1123-L1127 HydrophobicContact CG2-CD1 3.83Å; I1123-L1127 HydrophobicContact CG2-CG 4.4Å; I1123-L1127 WeakPolarHBondContact O-CG 3.35Å; I1123-L1127 PolarHBondContact O-N 3.31Å
1124	D	55.2	Low	48.7	Very low	93 Å²	93	122 Å²	122	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-61.4	-35.9	180	-88.6	-19.4	0	0	0	111.7	V1120 L1127 Q1128	V1120-D1124 PolarHBondContact O-N 2.77Å; D1124-L1127 PolarHBondContact O-N 2.71Å; D1124-Q1128 WeakPolarHBondContact O-CB 3.24Å; D1124-Q1128 PolarHBondContact O-N 2.67Å
1125	K	50.3	Low	48.8	Very low	138 Å²	138	116.8 Å²	116.8	60%	0.6	61%	0.612	S	S	*	*	H	α-helix	trans	-63.7	-41.2	175.4	-168.8	175.3	-179.6	-177.3	0	112.7	R1121 I1123 L1127 Q1128 D1129	R1121-K1125 WeakPolarHBondContact O-CB 3.2Å; R1121-K1125 PolarHBondContact O-N 2.88Å; R1121-K1125 VanDerWaalsContact O-N 3.14Å; I1123-K1125 VanDerWaalsContact C-N 3.26Å; I1123-K1125 PolarHBondContact O-N 3.12Å; K1125-L1127 VanDerWaalsContact C-N 3.34Å; K1125-Q1128 PolarHBondContact O-N 2.75Å; K1125-D1129 PolarHBondContact O-N 3.26Å
1126	L	51.1	Low	48.2	Very low	118 Å²	118	118.1 Å²	118.1	62%	0.618	62%	0.624	S	S	*	*	H	α-helix	trans	-67.2	-34	173.6	-76.5	166.3	0	0	0	112.2	D1122 I1123 C1130	D1122-L1126 PolarHBondContact O-N 3.46Å; I1123-L1126 PolarHBondContact O-N 3.34Å; I1123-L1126 VanDerWaalsContact O-N 3.15Å; L1126-C1130 PolarHBondContact O-N 2.84Å; L1126-C1130 PolarHBondContact O-SG 3.28Å; L1126-C1130 VanDerWaalsContact O-SG 3.37Å
1127	L	54.2	Low	47.6	Very low	100 Å²	100	118.1 Å²	118.1	52%	0.524	63%	0.631	S	S	.	*	H	α-helix	trans	-73.2	-25.2	175.5	-69.8	171.5	0	0	0	113.5	I1123 D1124 K1125	I1123-L1127 HydrophobicContact CG2-CD1 3.83Å; I1123-L1127 HydrophobicContact CG2-CG 4.4Å; I1123-L1127 WeakPolarHBondContact O-CG 3.35Å; I1123-L1127 PolarHBondContact O-N 3.31Å; D1124-L1127 PolarHBondContact O-N 2.71Å; K1125-L1127 VanDerWaalsContact C-N 3.34Å
1128	Q	45.7	Very low	46.8	Very low	134 Å²	134	120 Å²	120	63%	0.626	65%	0.646	S	S	*	*	H	α-helix	trans	-72.8	-51.9	174.1	-160.5	86.3	14.3	0	0	110.8	D1124 K1125 C1130 R1131	D1124-Q1128 WeakPolarHBondContact O-CB 3.24Å; D1124-Q1128 PolarHBondContact O-N 2.67Å; K1125-Q1128 PolarHBondContact O-N 2.75Å; Q1128-C1130 PolarHBondContact O-N 2.91Å; Q1128-R1131 PolarHBondContact O-N 2.76Å
1129	D	44.8	Very low	46.3	Very low	119 Å²	119	123.3 Å²	123.3	64%	0.636	67%	0.666	S	S	*	*	H	α-helix	trans	-62.7	-29.5	-178.7	-73.1	-12.2	0	0	0	112.2	K1125 R1131	K1125-D1129 PolarHBondContact O-N 3.26Å; D1129-R1131 VanDerWaalsContact C-N 3.26Å; D1129-R1131 PolarHBondContact O-N 2.75Å
1130	C	43.4	Very low	45.1	Very low	102 Å²	102	130 Å²	130	69%	0.689	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	6.4	174.9	-71.8	0	0	0	0	115.3	L1126 Q1128	L1126-C1130 PolarHBondContact O-N 2.84Å; L1126-C1130 PolarHBondContact O-SG 3.28Å; L1126-C1130 VanDerWaalsContact O-SG 3.37Å; Q1128-C1130 PolarHBondContact O-N 2.91Å
1131	R	44.4	Very low	43.7	Very low	223 Å²	223	140.1 Å²	140.1	84%	0.842	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	-5.2	-172.8	-110.6	179.9	178.7	169.7	3.4	117.4	Q1128 D1129	Q1128-R1131 PolarHBondContact O-N 2.76Å; D1129-R1131 VanDerWaalsContact C-N 3.26Å; D1129-R1131 PolarHBondContact O-N 2.75Å
1132	E	37.3	Very low	43	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	73%	0.729	S	S	*	*	S	Bend	trans	-105.8	-2.5	-178.6	-66.6	-161.2	147.1	0	0	115.1	E1134	E1132-E1134 PolarHBondContact O-N 2.8Å
1133	S	37.1	Very low	42.4	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	74%	0.742	S	S	*	*	S	Bend	trans	-94.5	26.5	-170.1	75.4	0	0	0	0	117
1134	E	39.6	Very low	41.4	Very low	194 Å²	194	146.1 Å²	146.1	91%	0.907	76%	0.759	S	S	*	*	S	Bend	trans	-145.6	41.6	178	-149.5	169.9	-126.6	0	0	115.8	E1132	E1132-E1134 PolarHBondContact O-N 2.8Å
1135	A	36.5	Very low	40.6	Very low	88 Å²	88	149.2 Å²	149.2	73%	0.727	77%	0.774	S	S	*	*	S	Bend	trans	-156.2	63.9	170.1	0	0	0	0	0	116.4
1136	T	34.5	Very low	40	Very low	156 Å²	156	149.9 Å²	149.9	96%	0.957	79%	0.785	S	S	*	*			trans	173.7	148	138.9	24.8	0	0	0	0	111
1137	G	33.7	Very low	39.3	Very low	63 Å²	63	152 Å²	152	65%	0.649	80%	0.796	S	S	*	*			trans	-128	-178.9	-178.6	0	0	0	0	0	114.9
1138	T	35.4	Very low	38.2	Very low	136 Å²	136	155.7 Å²	155.7	83%	0.834	82%	0.816	S	S	*	*			trans	78.1	135	168.5	14.3	0	0	0	0	120.1
1139	L	36	Very low	37.6	Very low	159 Å²	159	157.4 Å²	157.4	83%	0.832	83%	0.83	S	S	*	*			trans	69.3	99.8	159.3	-60.2	164.4	0	0	0	116.2
1140	R	32	Very low	37	Very low	233 Å²	233	160.6 Å²	160.6	88%	0.879	85%	0.846	S	S	*	*			cis	-160.8	148.8	42	-85.2	176.7	159.5	171.4	-5	113.9
1141	K	34.3	Very low	36.4	Very low	287 Å²	287	165.9 Å²	165.9	100%	1.248	86%	0.861	S	S	*	*			trans	71	0	172.7	-75.5	-165.7	171.2	-170.3	0	115.4

Retrieved 1,141 of 1,141 residues in 168.6 ms (Link to these results)

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