A0A087XA08_POEFO Loading...

Poly [ADP-ribose] polymerase

Poly-ADP-ribosyltransferase that mediates poly-ADP-ribosylation of proteins and plays a key role in DNA repair.

AlphaFold DB , UniProt , Accession A0A087XA08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,015 aa.

						>A0A087XA08_POEFO|A0A087XA08
MADNQEEKLYKAEYAKSGRASCKKCKDSIAKDSLRMAIMVQSPMFDGKVPHWHHFSCFWLRAAPQSTADIAGFSDLRWEDQEKVKKAIESGGAVGIGKGSQKSAAKGEKTLNDFAVEYAKSNRSTCKGCEQKIEKDQIRVSKKTVDPEKPQLGLIDRWYHTACFVSRREELVFRPEYGAAQLKGFNALRAEDQEELKKRLPAVKSEGKRKSDEVDGALEEQLKTGLGNAHHVCIRKQTQSQLIWGIKDKLKKHCSVNDMKELLIANGQDVPSGESNVLDSLADGMAFGALECCKECKGQLVFKGDLYYCSGDISAWTKCVFKTKTPSRKDFVVPKEFHEVSFLKKFKFKRQDRVYPKEAPAQTLKPAKAETLASASSAPSERLLEAAPSDKPLTGMKLLAVGKLSKNKDDLKAAVEELGGKITGTANKASLCLSSKKEVEKMGKKMEEVRDAGVRVVSEDFLTDVKSSGKALQELVSLHAISPWGAEVKAEPQAPAATSKSGALSAKSTGRVKEEEGGSKAKKMKLTVKGGAAVDPDSGLENSAHVLEQNGKMYSATLGLVDIVRGTNSYYKLQLLEDDVQKRYWVFRSWGRVGTTIGGNKLDKFHDKNSALDNFLSVYKEKTGNDWGTSNFTKYPNKFYPLEIDYGQDEEAVKRLTASAGTKSKLDKPVQDLIKMIFDVESMKKAMVEFEIDLQKMPLGKLSKRQIQSAYALLTEVQQAVSDSVPEAQILDLSNRFYTLIPHDFGMKKPPLLNNLDYIQAKVEMLDNLLDIEVAYSLLRGGAQDNEHDPIDINYEKLKTKIEVIDKTTQEAEIIMQYVKNTHAATHNTYTLEVQDIFKVTREGEHQRYSPFEELHNRQLLWHGSRATNYAGILSQGLRIAPPEAPVTGYMFGKGVYFADMVSKSANYCHTSQSDPVGLILLAEVALGNMHELKKASHITKLPKGKHSVKGLGRTAPDPNASATLNGVQVPLGKGVNTNIDDTSLLYNEYIVYDVAQINLKYLLKIRFNYQTSLW
					

Structure Viewer

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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	27.5	Very low	55.1	Low	180 Å²	180	73.5 Å²	73.5	89%	0.887	37%	0.37	S	S	*	.				0	86.3	0	-67.6	-84.2	-156.1	0	0	108.1	S272	M1-S272 WeakPolarHBondContact CE-O 3.02Å; M1-S272 WeakPolarHBondContact CE-OG 3.2Å
2	A	26.4	Very low	57.9	Low	47 Å²	47	67.5 Å²	67.5	39%	0.388	34%	0.34	S	S	.	.			trans	-138.8	99.1	176.4	0	0	0	0	0	107.5
3	D	35.3	Very low	60.2	Low	90 Å²	90	64.8 Å²	64.8	48%	0.481	33%	0.326	S	S	.	.			trans	-76.5	134.3	-178.2	-83.7	-42.1	0	0	0	111	Q5 K303	D3-Q5 HydrophobicContact CB-CG 4.35Å; D3-Q5 PolarHBondContact O-N 3.21Å; D3-K303 IonicContact OD1-NZ 2.73Å; D3-K303 PolarHBondContact OD1-NZ 3.49Å
4	N	38.9	Very low	62.2	Low	44 Å²	44	63.1 Å²	63.1	24%	0.235	31%	0.314	C	S	.	.			trans	-71.8	49.6	175.4	-150.5	13.9	0	0	0	111.6
5	Q	44.5	Very low	63.7	Low	64 Å²	64	58.9 Å²	58.9	30%	0.299	29%	0.293	S	S	.	.			trans	-78.2	123.5	174.3	-75.4	-178.5	-23.9	0	0	107.7	D3 E7	D3-Q5 HydrophobicContact CB-CG 4.35Å; D3-Q5 PolarHBondContact O-N 3.21Å; Q5-E7 PolarHBondContact O-N 3.12Å; Q5-E7 VanDerWaalsContact O-N 3.11Å
6	E	49.7	Very low	64.9	Low	116 Å²	116	61.9 Å²	61.9	54%	0.542	30%	0.304	S	S	.	.			trans	-41.4	123.9	151.2	-78.3	174.9	174.8	0	0	106.8	K8	E6-K8 PolarHBondContact O-N 3.23Å
7	E	58.3	Low	65.9	Low	100 Å²	100	60.4 Å²	60.4	47%	0.467	30%	0.3	S	S	.	.			trans	-69.5	68.6	-165.6	-68.2	-169.4	121.9	0	0	111.8	Q5 K48	Q5-E7 PolarHBondContact O-N 3.12Å; Q5-E7 VanDerWaalsContact O-N 3.11Å; E7-K48 WeakPolarHBondContact OE1-CD 3.25Å; E7-K48 VanDerWaalsContact OE1-CE 3.26Å; E7-K48 WeakPolarHBondContact OE1-CE 3.3Å; E7-K48 IonicContact OE1-NZ 2.99Å; E7-K48 PolarHBondContact OE1-NZ 3.47Å; E7-K48 VanDerWaalsContact OE1-NZ 3.16Å; E7-K48 IonicContact OE2-NZ 3.89Å; E7-K48 PolarHBondContact OE2-NZ 3.09Å
8	K	73.6	Confident	66.7	Low	67 Å²	67	59.2 Å²	59.2	29%	0.291	31%	0.307	S	S	.	.			trans	-64.1	135.9	173.6	-67.7	180	-178	-166.4	0	108.1	E6 Y10 M39 A68 A71	E6-K8 PolarHBondContact O-N 3.23Å; K8-Y10 PolarHBondContact O-N 3.44Å; K8-M39 WeakPolarHBondContact O-CG 3.3Å; K8-A68 VanDerWaalsContact CD-O 3.25Å; K8-A68 WeakPolarHBondContact CD-O 3.37Å; K8-A68 WeakPolarHBondContact CE-O 3.5Å; K8-A68 PolarHBondContact NZ-O 3.45Å; K8-A71 HydrophobicContact CB-CB 4.13Å; K8-A71 HydrophobicContact CD-CB 4.13Å
9	L	78.1	Confident	67.5	Low	52 Å²	52	67.9 Å²	67.9	27%	0.272	34%	0.335	S	S	.	.	S	Bend	trans	-63.4	-26.2	-177.3	-171.7	62.4	0	0	0	112	M39 V145 P150	L9-M39 PolarHBondContact O-N 2.91Å; L9-V145 HydrophobicContact CD2-CG1 4.29Å; L9-P150 HydrophobicContact CD1-CB 4.05Å
10	Y	86.3	Confident	68.3	Low	17 Å²	17	65.4 Å²	65.4	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.3	-177.2	-48.1	-62.3	0	0	0	111.7	K8 A37 I38 F58 A62 P64 D69 I70 A71	K8-Y10 PolarHBondContact O-N 3.44Å; Y10-A37 WeakPolarHBondContact CA-O 2.76Å; Y10-I38 HydrophobicContact CD1-CG1 4.35Å; Y10-I38 HydrophobicContact CE1-CG1 4.43Å; Y10-F58 AromaticContact CD1-CE2 3.85Å; Y10-F58 HydrophobicContact CD1-CE2 3.85Å; Y10-F58 AromaticContact CD1-CZ 3.58Å; Y10-F58 HydrophobicContact CD1-CZ 3.58Å; Y10-F58 HydrophobicContact CE1-CZ 4.18Å; Y10-F58 HydrophobicContact CG-CE2 4.48Å; Y10-F58 AromaticContact CG-CZ 3.92Å; Y10-F58 HydrophobicContact CG-CZ 3.92Å; Y10-A62 HydrophobicContact CD1-CB 4.05Å; Y10-A62 HydrophobicContact CE1-CB 3.43Å; Y10-A62 VanDerWaalsContact CE1-CB 3.43Å; Y10-P64 HydrophobicContact CD2-CB 3.65Å; Y10-P64 HydrophobicContact CD2-CG 4.49Å; Y10-P64 HydrophobicContact CE2-CB 3.75Å; Y10-P64 HydrophobicContact CG-CB 4.44Å; Y10-D69 HydrophobicContact CD2-CB 4.12Å; Y10-I70 WeakPolarHBondContact O-CA 3.32Å; Y10-A71 PolarHBondContact O-N 2.85Å
11	K	87.8	Confident	69.3	Low	31 Å²	31	65 Å²	65	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.1	176.6	-178.1	171.1	-179.6	168.2	0	110.7	E13 M36 A37 M39 W52 A71	K11-E13 VanDerWaalsContact CE-OE2 3.23Å; K11-E13 WeakPolarHBondContact CE-OE2 3.47Å; K11-E13 IonicContact NZ-OE2 3.58Å; K11-M36 CarbonylContact O-C 3.59Å; K11-M36 VanDerWaalsContact O-CA 3.28Å; K11-M36 WeakPolarHBondContact O-CA 3.34Å; K11-A37 HydrophobicContact CB-CB 4.41Å; K11-A37 PolarHBondContact N-O 2.66Å; K11-A37 PolarHBondContact O-N 3.18Å; K11-M39 HydrophobicContact CB-SD 4.11Å; K11-M39 HydrophobicContact CD-SD 4.34Å; K11-W52 HydrophobicContact CD-CH2 4.01Å; K11-W52 HydrophobicContact CG-CH2 4.13Å; K11-A71 CarbonylContact C-O 3.53Å; K11-A71 WeakPolarHBondContact CA-O 3.36Å; K11-A71 HydrophobicContact CB-CB 4.35Å; K11-A71 HydrophobicContact CG-CB 4.32Å
12	A	88.6	Confident	72.1	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.6	172.9	0	0	0	0	0	110.4	M36 I70 A71 L76	A12-M36 HydrophobicContact CB-CG 4.17Å; A12-I70 HydrophobicContact CB-CG2 3.62Å; A12-A71 PolarHBondContact N-O 2.79Å; A12-L76 HydrophobicContact CB-CD1 3.99Å; A12-L76 HydrophobicContact CB-CD2 4.46Å
13	E	88.3	Confident	74.9	Confident	33 Å²	33	58.3 Å²	58.3	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	170.1	174.8	66.5	-179.2	-148.8	0	0	111.2	K11 R35 W52	K11-E13 VanDerWaalsContact CE-OE2 3.23Å; K11-E13 WeakPolarHBondContact CE-OE2 3.47Å; K11-E13 IonicContact NZ-OE2 3.58Å; E13-R35 HydrophobicContact CG-CG 4.24Å; E13-R35 PolarHBondContact N-O 3.35Å; E13-R35 VanDerWaalsContact N-O 3.09Å; E13-R35 VanDerWaalsContact O-CG 3.31Å; E13-R35 WeakPolarHBondContact O-CG 3.43Å; E13-R35 PolarHBondContact O-N 2.94Å; E13-R35 VanDerWaalsContact O-O 3.09Å; E13-R35 IonicContact OE1-CZ 2.77Å; E13-R35 IonicContact OE1-NE 2.65Å; E13-R35 PolarHBondContact OE1-NE 2.81Å; E13-R35 IonicContact OE1-NH2 3.75Å; E13-R35 PolarHBondContact OE1-NH2 3.12Å; E13-W52 HydrophobicContact CG-CH2 3.39Å; E13-W52 HydrophobicContact CG-CZ2 4.16Å; E13-W52 HydrophobicContact CG-CZ3 3.69Å; E13-W52 VanDerWaalsContact OE1-CH2 3.32Å; E13-W52 WeakPolarHBondContact OE1-CH2 3.34Å; E13-W52 WeakPolarHBondContact OE1-CZ2 3.46Å
14	Y	87.5	Confident	77.1	Confident	40 Å²	40	57.6 Å²	57.6	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.9	166.3	-62.7	-75.4	0	0	0	110.8	K16 D32 S33 L34 L76 R77 D80 W244	Y14-K16 PolarHBondContact O-N 3.38Å; Y14-K16 VanDerWaalsContact O-N 3.11Å; Y14-D32 WeakPolarHBondContact CD1-O 3.42Å; Y14-S33 WeakPolarHBondContact CA-O 3.33Å; Y14-L34 HydrophobicContact CD1-CB 4.47Å; Y14-L34 HydrophobicContact CE1-CB 4.25Å; Y14-L34 HydrophobicContact CE1-CD1 4.43Å; Y14-L76 HydrophobicContact CD2-CD2 4.43Å; Y14-L76 HydrophobicContact CE2-CD2 3.98Å; Y14-R77 HydrophobicContact CE2-CG 4.34Å; Y14-R77 VanDerWaalsContact OH-CB 3.23Å; Y14-R77 WeakPolarHBondContact OH-CB 3.32Å; Y14-R77 VanDerWaalsContact OH-CG 3.25Å; Y14-R77 WeakPolarHBondContact OH-CG 3.26Å; Y14-R77 PolarHBondContact OH-N 2.81Å; Y14-D80 WeakPolarHBondContact CE1-OD2 3.37Å; Y14-D80 PolarHBondContact OH-OD2 3.33Å; Y14-W244 AromaticContact CD2-CH2 3.73Å; Y14-W244 HydrophobicContact CD2-CH2 3.73Å; Y14-W244 AromaticContact CD2-CZ2 3.99Å; Y14-W244 HydrophobicContact CD2-CZ2 3.99Å; Y14-W244 AromaticContact CE2-CH2 3.56Å; Y14-W244 HydrophobicContact CE2-CH2 3.56Å; Y14-W244 AromaticContact CE2-CZ2 3.46Å; Y14-W244 HydrophobicContact CE2-CZ2 3.46Å; Y14-W244 VanDerWaalsContact CE2-CZ2 3.46Å
15	A	84.6	Confident	79.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.			trans	-65.3	111.2	-177	0	0	0	0	0	112.3	S17 I29 A30 K31 D32 S33 R35	A15-S17 PolarHBondContact O-N 3.49Å; A15-S17 VanDerWaalsContact O-N 3.15Å; A15-I29 HydrophobicContact CB-CG2 3.95Å; A15-A30 WeakPolarHBondContact CB-O 3.47Å; A15-K31 CarbonylContact O-C 3.58Å; A15-K31 WeakPolarHBondContact O-CA 3.2Å; A15-D32 PolarHBondContact O-N 3.16Å; A15-S33 PolarHBondContact N-O 2.86Å; A15-R35 HydrophobicContact CB-CG 4.4Å
16	K	82.5	Confident	81.3	Confident	108 Å²	108	61.6 Å²	61.6	47%	0.47	30%	0.299	S	S	.	.	S	Bend	trans	-62.7	-23.2	-179.9	-58.3	-175.4	-179.6	-173.8	0	114.2	Y14	Y14-K16 PolarHBondContact O-N 3.38Å; Y14-K16 VanDerWaalsContact O-N 3.11Å
17	S	81.7	Confident	83.2	Confident	35 Å²	35	60.9 Å²	60.9	25%	0.245	30%	0.298	C	S	.	.	S	Bend	trans	-154.3	161.5	176.7	69.4	0	0	0	0	110.9	A15 R19	A15-S17 PolarHBondContact O-N 3.49Å; A15-S17 VanDerWaalsContact O-N 3.15Å; S17-R19 PolarHBondContact O-N 3.23Å
18	G	80.7	Confident	84.6	Confident	40 Å²	40	60.3 Å²	60.3	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	5.4	175.5	0	0	0	0	0	115.7	I29	G18-I29 WeakPolarHBondContact CA-O 3.43Å
19	R	82.6	Confident	85.4	Confident	225 Å²	225	57.1 Å²	57.1	85%	0.849	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12	-174.3	-65.3	-174.1	-69.3	175.6	-4.6	114.3	S17	S17-R19 PolarHBondContact O-N 3.23Å
20	A	84.1	Confident	85.9	Confident	16 Å²	16	57.6 Å²	57.6	13%	0.132	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.7	-179.6	0	0	0	0	0	110.3	I29	A20-I29 HydrophobicContact CB-CB 4.42Å; A20-I29 HydrophobicContact CB-CD1 4.45Å; A20-I29 WeakPolarHBondContact O-CB 3.46Å; A20-I29 PolarHBondContact O-N 3.49Å
21	S	87.5	Confident	85.9	Confident	58 Å²	58	62.5 Å²	62.5	41%	0.406	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.9	172.2	56.6	0	0	0	0	111.1	K23 D27	S21-K23 PolarHBondContact O-N 3.42Å; S21-D27 CarbonylContact C-O 3.59Å; S21-D27 WeakPolarHBondContact CA-O 3.47Å
22	C	87.9	Confident	85.7	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.339	C	S	.	.			trans	-70.2	123.3	177.2	175.5	0	0	0	0	110.2	K24 C25 K26 D27 I29 W52 H54	C22-K24 PolarHBondContact O-N 3.4Å; C22-K24 VanDerWaalsContact O-N 3.1Å; C22-C25 VanDerWaalsContact CB-SG 3.58Å; C22-K26 WeakPolarHBondContact O-CA 3.5Å; C22-K26 PolarHBondContact O-N 3.34Å; C22-D27 PolarHBondContact N-O 2.97Å; C22-I29 HydrophobicContact CB-CD1 4.26Å; C22-I29 HydrophobicContact CB-CG1 4.22Å; C22-W52 WeakPolarHBondContact CA-O 3.42Å; C22-H54 WeakPolarHBondContact CB-CE1 3.33Å; C22-H54 WeakPolarHBondContact CB-ND1 3.37Å; C22-H54 PolarHBondContact SG-ND1 3.4Å
23	K	85.7	Confident	85.7	Confident	87 Å²	87	66.6 Å²	66.6	38%	0.378	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.2	-178.3	-67.6	-63.7	-173.5	179.6	0	113.6	S21 K26 H51 W52	S21-K23 PolarHBondContact O-N 3.42Å; K23-K26 PolarHBondContact O-NZ 3.1Å; K23-K26 VanDerWaalsContact O-NZ 3.08Å; K23-H51 HydrophobicContact CG-CB 3.94Å; K23-W52 PolarHBondContact N-O 3.45Å
24	K	81.1	Confident	85.7	Confident	75 Å²	75	66.4 Å²	66.4	33%	0.326	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-66.6	176.4	-179.3	172.8	173.5	156.1	0	113	C22 C57 L60 R61	C22-K24 PolarHBondContact O-N 3.4Å; C22-K24 VanDerWaalsContact O-N 3.1Å; K24-C57 HydrophobicContact CB-CB 4.02Å; K24-C57 HydrophobicContact CD-CB 4.02Å; K24-C57 WeakPolarHBondContact CD-O 3.34Å; K24-C57 HydrophobicContact CG-CB 4.43Å; K24-L60 HydrophobicContact CD-CB 4.08Å; K24-L60 HydrophobicContact CD-CD1 4.25Å; K24-R61 HydrophobicContact CB-CG 4.43Å; K24-R61 HydrophobicContact CD-CG 4.21Å
25	C	85	Confident	85.9	Confident	48 Å²	48	65.2 Å²	65.2	32%	0.324	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.3	-175.7	65.9	0	0	0	0	113.9	C22 D27 H54	C22-C25 VanDerWaalsContact CB-SG 3.58Å; C25-D27 PolarHBondContact O-N 3.3Å; C25-D27 PolarHBondContact SG-OD2 2.65Å; C25-H54 PolarHBondContact SG-CE1 2.87Å; C25-H54 PolarHBondContact SG-ND1 3.07Å; C25-H54 VanDerWaalsContact SG-ND1 3.4Å
26	K	85.8	Confident	86.2	Confident	144 Å²	144	65.2 Å²	65.2	63%	0.626	35%	0.346	S	S	*	.			trans	69.6	-5.9	-177	-51.2	-57	-172.3	-169.9	0	115.8	C22 K23	C22-K26 WeakPolarHBondContact O-CA 3.5Å; C22-K26 PolarHBondContact O-N 3.34Å; K23-K26 PolarHBondContact O-NZ 3.1Å; K23-K26 VanDerWaalsContact O-NZ 3.08Å
27	D	89.4	Confident	86.4	Confident	101 Å²	101	60.1 Å²	60.1	54%	0.54	32%	0.323	S	S	.	.			trans	-69.2	157.9	175.8	-52.7	-46.6	0	0	0	113.1	S21 C22 C25	S21-D27 CarbonylContact C-O 3.59Å; S21-D27 WeakPolarHBondContact CA-O 3.47Å; C22-D27 PolarHBondContact N-O 2.97Å; C25-D27 PolarHBondContact O-N 3.3Å; C25-D27 PolarHBondContact SG-OD2 2.65Å
28	S	88.7	Confident	86.6	Confident	87 Å²	87	58.6 Å²	58.6	61%	0.608	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	147.7	175.4	68	0	0	0	0	112.1	H54	S28-H54 PolarHBondContact O-NE2 2.88Å
29	I	89.4	Confident	86.7	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.8	175	-60	174.7	0	0	0	106.9	A15 G18 A20 C22 S33 R35 W52	A15-I29 HydrophobicContact CB-CG2 3.95Å; G18-I29 WeakPolarHBondContact CA-O 3.43Å; A20-I29 HydrophobicContact CB-CB 4.42Å; A20-I29 HydrophobicContact CB-CD1 4.45Å; A20-I29 WeakPolarHBondContact O-CB 3.46Å; A20-I29 PolarHBondContact O-N 3.49Å; C22-I29 HydrophobicContact CB-CD1 4.26Å; C22-I29 HydrophobicContact CB-CG1 4.22Å; I29-S33 VanDerWaalsContact CG2-OG 3.26Å; I29-S33 WeakPolarHBondContact CG2-OG 3.39Å; I29-R35 HydrophobicContact CD1-CB 4.36Å; I29-R35 HydrophobicContact CG2-CB 4.09Å; I29-W52 HydrophobicContact CD1-CB 3.86Å
30	A	88.1	Confident	86.6	Confident	62 Å²	62	47.7 Å²	47.7	51%	0.512	26%	0.261	S	S	.	.			trans	-60.9	149.6	-176.9	0	0	0	0	0	112.5	A15 S33	A15-A30 WeakPolarHBondContact CB-O 3.47Å; A30-S33 WeakPolarHBondContact O-CB 3.39Å; A30-S33 PolarHBondContact O-N 3.06Å; A30-S33 PolarHBondContact O-OG 3.26Å
31	K	86.4	Confident	86.2	Confident	120 Å²	120	50 Å²	50	52%	0.522	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	144.7	173.1	-173.6	-179.7	177.3	-175.4	0	110.1	A15 S33	A15-K31 CarbonylContact O-C 3.58Å; A15-K31 WeakPolarHBondContact O-CA 3.2Å; K31-S33 PolarHBondContact O-N 3.12Å; K31-S33 VanDerWaalsContact O-N 3.08Å
32	D	83.8	Confident	85.6	Confident	83 Å²	83	47.5 Å²	47.5	44%	0.444	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	6.5	-179.4	-60.5	-26	0	0	0	115	Y14 A15 K251	Y14-D32 WeakPolarHBondContact CD1-O 3.42Å; A15-D32 PolarHBondContact O-N 3.16Å; D32-K251 IonicContact OD1-NZ 2.71Å; D32-K251 IonicContact OD2-NZ 3.75Å; D32-K251 PolarHBondContact OD2-NZ 3.15Å
33	S	88.9	Confident	84.8	Confident	36 Å²	36	51.9 Å²	51.9	25%	0.252	28%	0.281	S	S	.	.			trans	-82.1	146.4	173.7	70.5	0	0	0	0	112.6	Y14 A15 I29 A30 K31 R35	Y14-S33 WeakPolarHBondContact CA-O 3.33Å; A15-S33 PolarHBondContact N-O 2.86Å; I29-S33 VanDerWaalsContact CG2-OG 3.26Å; I29-S33 WeakPolarHBondContact CG2-OG 3.39Å; A30-S33 WeakPolarHBondContact O-CB 3.39Å; A30-S33 PolarHBondContact O-N 3.06Å; A30-S33 PolarHBondContact O-OG 3.26Å; K31-S33 PolarHBondContact O-N 3.12Å; K31-S33 VanDerWaalsContact O-N 3.08Å; S33-R35 PolarHBondContact O-N 3.23Å
34	L	89.3	Confident	84.1	Confident	29 Å²	29	53.6 Å²	53.6	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.2	175	179.3	66	0	0	0	110.3	Y14 F55 L76 D80	Y14-L34 HydrophobicContact CD1-CB 4.47Å; Y14-L34 HydrophobicContact CE1-CB 4.25Å; Y14-L34 HydrophobicContact CE1-CD1 4.43Å; L34-F55 HydrophobicContact CD2-CB 4.39Å; L34-F55 HydrophobicContact CD2-CD2 3.52Å; L34-F55 HydrophobicContact CD2-CE2 4.03Å; L34-F55 HydrophobicContact CD2-CG 4.08Å; L34-F55 HydrophobicContact CG-CD2 4.21Å; L34-L76 HydrophobicContact CD1-CD1 4Å; L34-L76 HydrophobicContact CD1-CD2 3.65Å; L34-L76 HydrophobicContact CD1-CG 4.45Å; L34-D80 HydrophobicContact CD2-CB 4.04Å
35	R	90.1	Very high	83.5	Confident	16 Å²	16	54.6 Å²	54.6	6%	0.06	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.5	175.5	62.6	175.8	-173.5	-164.7	5.5	111.3	E13 A15 I29 S33 W52	E13-R35 HydrophobicContact CG-CG 4.24Å; E13-R35 PolarHBondContact N-O 3.35Å; E13-R35 VanDerWaalsContact N-O 3.09Å; E13-R35 VanDerWaalsContact O-CG 3.31Å; E13-R35 WeakPolarHBondContact O-CG 3.43Å; E13-R35 PolarHBondContact O-N 2.94Å; E13-R35 VanDerWaalsContact O-O 3.09Å; E13-R35 IonicContact OE1-CZ 2.77Å; E13-R35 IonicContact OE1-NE 2.65Å; E13-R35 PolarHBondContact OE1-NE 2.81Å; E13-R35 IonicContact OE1-NH2 3.75Å; E13-R35 PolarHBondContact OE1-NH2 3.12Å; A15-R35 HydrophobicContact CB-CG 4.4Å; I29-R35 HydrophobicContact CD1-CB 4.36Å; I29-R35 HydrophobicContact CG2-CB 4.09Å; S33-R35 PolarHBondContact O-N 3.23Å; R35-W52 HydrophobicContact CB-CE3 4.17Å; R35-W52 VanDerWaalsContact CD-CE3 3.45Å; R35-W52 HydrophobicContact CG-CD2 4.26Å; R35-W52 HydrophobicContact CG-CE3 3.58Å; R35-W52 HydrophobicContact CG-CZ3 3.92Å
36	M	90.8	Very high	82.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.7	177	-61.7	-177.2	75	0	0	109.5	K11 A12 H53 F55 F58 W59 I70	K11-M36 CarbonylContact O-C 3.59Å; K11-M36 VanDerWaalsContact O-CA 3.28Å; K11-M36 WeakPolarHBondContact O-CA 3.34Å; A12-M36 HydrophobicContact CB-CG 4.17Å; M36-H53 PolarHBondContact N-O 3.16Å; M36-H53 VanDerWaalsContact N-O 3.09Å; M36-H53 PolarHBondContact O-N 3.01Å; M36-F55 HydrophobicContact CG-CD2 4.32Å; M36-F55 HydrophobicContact SD-CD2 3.65Å; M36-F55 HydrophobicContact SD-CE2 3.89Å; M36-F58 HydrophobicContact CB-CB 3.82Å; M36-F58 HydrophobicContact CB-CD1 4.04Å; M36-F58 HydrophobicContact CB-CD2 3.49Å; M36-F58 VanDerWaalsContact CB-CD2 3.49Å; M36-F58 HydrophobicContact CB-CE2 4.02Å; M36-F58 HydrophobicContact CB-CG 3.5Å; M36-F58 VanDerWaalsContact CB-CG 3.5Å; M36-F58 HydrophobicContact CE-CD1 3.62Å; M36-F58 HydrophobicContact CE-CE1 3.37Å; M36-F58 HydrophobicContact CE-CE2 4.49Å; M36-F58 HydrophobicContact CE-CG 4.29Å; M36-F58 HydrophobicContact CE-CZ 3.86Å; M36-F58 HydrophobicContact CG-CD1 4.47Å; M36-F58 HydrophobicContact CG-CG 4.32Å; M36-F58 HydrophobicContact SD-CB 4.35Å; M36-F58 HydrophobicContact SD-CD1 3.58Å; M36-F58 VanDerWaalsContact SD-CD1 3.58Å; M36-F58 HydrophobicContact SD-CE1 4.02Å; M36-F58 HydrophobicContact SD-CG 3.99Å; M36-W59 HydrophobicContact CE-CH2 4.26Å; M36-W59 HydrophobicContact CE-CZ2 3.93Å; M36-W59 HydrophobicContact SD-CZ2 3.82Å; M36-I70 HydrophobicContact CE-CD1 3.85Å; M36-I70 HydrophobicContact CE-CG2 4.41Å
37	A	87.1	Confident	82.1	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.5	-179.9	0	0	0	0	0	112.2	Y10 K11 P50 H51 W52	Y10-A37 WeakPolarHBondContact CA-O 2.76Å; K11-A37 HydrophobicContact CB-CB 4.41Å; K11-A37 PolarHBondContact N-O 2.66Å; K11-A37 PolarHBondContact O-N 3.18Å; A37-P50 HydrophobicContact CB-CB 3.56Å; A37-H51 WeakPolarHBondContact CA-O 3.43Å; A37-H51 WeakPolarHBondContact CB-O 3.35Å; A37-W52 HydrophobicContact CB-CD2 3.87Å; A37-W52 HydrophobicContact CB-CE3 3.37Å; A37-W52 HydrophobicContact CB-CH2 4.05Å; A37-W52 HydrophobicContact CB-CZ3 3.45Å; A37-W52 VanDerWaalsContact CB-CZ3 3.45Å
38	I	85.6	Confident	81.5	Confident	4 Å²	4	46 Å²	46	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.4	161.7	-55	173.6	0	0	0	106.4	Y10 V40 H51 F58 R61 A62 P150	Y10-I38 HydrophobicContact CD1-CG1 4.35Å; Y10-I38 HydrophobicContact CE1-CG1 4.43Å; I38-V40 HydrophobicContact CG2-CG2 4.3Å; I38-H51 PolarHBondContact N-O 3.14Å; I38-H51 WeakPolarHBondContact O-CB 3.38Å; I38-H51 PolarHBondContact O-N 2.95Å; I38-F58 HydrophobicContact CG1-CD2 4.3Å; I38-F58 HydrophobicContact CG1-CE2 3.88Å; I38-R61 HydrophobicContact CD1-CB 4.01Å; I38-A62 HydrophobicContact CD1-CB 3.86Å; I38-A62 HydrophobicContact CG1-CB 4.01Å; I38-P150 HydrophobicContact CG2-CB 3.74Å
39	M	83.4	Confident	81.1	Confident	28 Å²	28	43.7 Å²	43.7	14%	0.138	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121	178.3	-62.1	-58.8	-69.9	0	0	109.2	K8 L9 K11 K48 P50 P150	K8-M39 WeakPolarHBondContact O-CG 3.3Å; L9-M39 PolarHBondContact O-N 2.91Å; K11-M39 HydrophobicContact CB-SD 4.11Å; K11-M39 HydrophobicContact CD-SD 4.34Å; M39-K48 HydrophobicContact CB-CB 4.46Å; M39-K48 HydrophobicContact CB-CD 4.44Å; M39-K48 HydrophobicContact CE-CB 4.04Å; M39-P50 HydrophobicContact SD-CB 3.9Å; M39-P150 WeakPolarHBondContact O-CG 3.44Å
40	V	80.1	Confident	81	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.048	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.4	-175.6	-177.5	0	0	0	0	109.7	I38 S42 K48 V49 H51 P150 Q151	I38-V40 HydrophobicContact CG2-CG2 4.3Å; V40-S42 PolarHBondContact O-N 3.19Å; V40-K48 CarbonylContact O-C 3.44Å; V40-K48 VanDerWaalsContact O-CA 3.27Å; V40-K48 WeakPolarHBondContact O-CA 3.36Å; V40-V49 PolarHBondContact N-O 3.23Å; V40-V49 WeakPolarHBondContact O-CG2 3.32Å; V40-V49 PolarHBondContact O-N 3.24Å; V40-H51 HydrophobicContact CG2-CB 4.24Å; V40-P150 HydrophobicContact CB-CG 4.41Å; V40-P150 HydrophobicContact CG1-CG 4.41Å; V40-P150 HydrophobicContact CG2-CB 4.33Å; V40-P150 HydrophobicContact CG2-CG 4.11Å; V40-Q151 HydrophobicContact CG1-CB 3.92Å; V40-Q151 HydrophobicContact CG2-CB 4.38Å
41	Q	76.5	Confident	80.9	Confident	63 Å²	63	45 Å²	45	29%	0.294	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	128.4	173.8	-172.1	63.7	22.2	0	0	110.6	I597	Q41-I597 HydrophobicContact CG-CD1 3.66Å
42	S	74.7	Confident	81.1	Confident	7 Å²	7	40.8 Å²	40.8	5%	0.049	22%	0.216	C	C	.	.			trans	-72	134.8	175	-179	0	0	0	0	110.3	V40 M44 F45 G47 I597	V40-S42 PolarHBondContact O-N 3.19Å; S42-M44 VanDerWaalsContact C-N 3.26Å; S42-M44 PolarHBondContact OG-N 3.14Å; S42-F45 WeakPolarHBondContact CB-O 3.49Å; S42-F45 VanDerWaalsContact OG-CD1 3.23Å; S42-F45 WeakPolarHBondContact OG-CD1 3.04Å; S42-F45 VanDerWaalsContact OG-CE1 3.25Å; S42-F45 WeakPolarHBondContact OG-CE1 3.44Å; S42-G47 VanDerWaalsContact CB-O 3.26Å; S42-G47 WeakPolarHBondContact CB-O 3.42Å; S42-G47 PolarHBondContact N-O 2.9Å; S42-I597 WeakPolarHBondContact O-CG2 3.16Å
43	P	71.6	Confident	81.4	Confident	92 Å²	92	37.1 Å²	37.1	60%	0.597	20%	0.196	S	C	*	.	S	Bend	trans	-74.7	-19	171.7	29.8	-33.1	0	0	0	112.4	G598	P43-G598 PolarHBondContact O-N 3.12Å; P43-G598 VanDerWaalsContact O-N 3.16Å
44	M	69.8	Low	81.3	Confident	123 Å²	123	37.6 Å²	37.6	61%	0.606	19%	0.194	S	C	*	.	S	Bend	trans	-94.5	-19.1	-171	-65.7	-60.9	-146.8	0	0	114.3	S42 W590	S42-M44 VanDerWaalsContact C-N 3.26Å; S42-M44 PolarHBondContact OG-N 3.14Å; M44-W590 PolarHBondContact O-NE1 3.2Å
45	F	70.2	Confident	81.3	Confident	96 Å²	96	37.9 Å²	37.9	42%	0.421	19%	0.194	S	C	.	.	S	Bend	trans	-158.8	160.1	-178	64.7	-94.2	0	0	0	110.9	S42 G47 V49	S42-F45 WeakPolarHBondContact CB-O 3.49Å; S42-F45 VanDerWaalsContact OG-CD1 3.23Å; S42-F45 WeakPolarHBondContact OG-CD1 3.04Å; S42-F45 VanDerWaalsContact OG-CE1 3.25Å; S42-F45 WeakPolarHBondContact OG-CE1 3.44Å; F45-G47 PolarHBondContact O-N 3.05Å; F45-V49 HydrophobicContact CE1-CG1 3.92Å; F45-V49 HydrophobicContact CE2-CG1 4.27Å; F45-V49 HydrophobicContact CZ-CG1 3.36Å
46	D	68.4	Low	81	Confident	16 Å²	16	39.8 Å²	39.8	9%	0.086	21%	0.21	C	C	.	.	S	Bend	trans	-76.6	81.5	-176.6	-168.9	18	0	0	0	112.1	T567 N568 S569 R592	D46-T567 WeakPolarHBondContact OD2-CA 3.5Å; D46-N568 PolarHBondContact OD2-N 3.42Å; D46-S569 WeakPolarHBondContact CB-OG 3.37Å; D46-S569 PolarHBondContact OD2-OG 3Å; D46-R592 HydrophobicContact CB-CB 3.99Å; D46-R592 VanDerWaalsContact CG-NH1 3.27Å; D46-R592 WeakPolarHBondContact OD1-CD 3.28Å; D46-R592 IonicContact OD1-CZ 3.85Å; D46-R592 IonicContact OD1-NE 3.33Å; D46-R592 IonicContact OD1-NH1 2.73Å; D46-R592 PolarHBondContact OD1-NH1 3.31Å; D46-R592 IonicContact OD2-NH1 2.94Å; D46-R592 PolarHBondContact OD2-NH1 3.26Å
47	G	71.6	Confident	80.6	Confident	17 Å²	17	40.5 Å²	40.5	18%	0.175	22%	0.215	C	C	.	.	S	Bend	trans	175.6	163.1	175.3	0	0	0	0	0	114	S42 F45	S42-G47 VanDerWaalsContact CB-O 3.26Å; S42-G47 WeakPolarHBondContact CB-O 3.42Å; S42-G47 PolarHBondContact N-O 2.9Å; F45-G47 PolarHBondContact O-N 3.05Å
48	K	76.6	Confident	80.6	Confident	78 Å²	78	40.5 Å²	40.5	34%	0.339	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.3	176.7	-66.4	176.4	178.9	165	0	111.5	E7 M39 V40	E7-K48 WeakPolarHBondContact OE1-CD 3.25Å; E7-K48 VanDerWaalsContact OE1-CE 3.26Å; E7-K48 WeakPolarHBondContact OE1-CE 3.3Å; E7-K48 IonicContact OE1-NZ 2.99Å; E7-K48 PolarHBondContact OE1-NZ 3.47Å; E7-K48 VanDerWaalsContact OE1-NZ 3.16Å; E7-K48 IonicContact OE2-NZ 3.89Å; E7-K48 PolarHBondContact OE2-NZ 3.09Å; M39-K48 HydrophobicContact CB-CB 4.46Å; M39-K48 HydrophobicContact CB-CD 4.44Å; M39-K48 HydrophobicContact CE-CB 4.04Å; V40-K48 CarbonylContact O-C 3.44Å; V40-K48 VanDerWaalsContact O-CA 3.27Å; V40-K48 WeakPolarHBondContact O-CA 3.36Å
49	V	81.3	Confident	80.4	Confident	39 Å²	39	41.2 Å²	41.2	24%	0.236	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.7	173.9	-71.5	0	0	0	0	110.9	V40 F45 H51	V40-V49 PolarHBondContact N-O 3.23Å; V40-V49 WeakPolarHBondContact O-CG2 3.32Å; V40-V49 PolarHBondContact O-N 3.24Å; F45-V49 HydrophobicContact CE1-CG1 3.92Å; F45-V49 HydrophobicContact CE2-CG1 4.27Å; F45-V49 HydrophobicContact CZ-CG1 3.36Å; V49-H51 PolarHBondContact O-N 3.28Å
50	P	86.1	Confident	80.1	Confident	43 Å²	43	44.2 Å²	44.2	28%	0.279	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.9	175.7	28.9	-33	0	0	0	110.7	A37 M39 W52	A37-P50 HydrophobicContact CB-CB 3.56Å; M39-P50 HydrophobicContact SD-CB 3.9Å; P50-W52 HydrophobicContact CB-CD2 4.13Å; P50-W52 HydrophobicContact CB-CH2 4.07Å; P50-W52 HydrophobicContact CB-CZ2 3.53Å; P50-W52 HydrophobicContact CG-CZ2 3.59Å; P50-W52 PolarHBondContact O-N 3.16Å
51	H	87	Confident	79.7	Confident	47 Å²	47	48.1 Å²	48.1	22%	0.218	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	94	164.5	-83.1	-164.9	0	0	0	109.3	K23 A37 I38 V40 V49 H53	K23-H51 HydrophobicContact CG-CB 3.94Å; A37-H51 WeakPolarHBondContact CA-O 3.43Å; A37-H51 WeakPolarHBondContact CB-O 3.35Å; I38-H51 PolarHBondContact N-O 3.14Å; I38-H51 WeakPolarHBondContact O-CB 3.38Å; I38-H51 PolarHBondContact O-N 2.95Å; V40-H51 HydrophobicContact CG2-CB 4.24Å; V49-H51 PolarHBondContact O-N 3.28Å; H51-H53 PolarHBondContact O-CD2 2.94Å; H51-H53 PolarHBondContact O-NE2 2.9Å
52	W	90.8	Very high	79.7	Confident	31 Å²	31	45.1 Å²	45.1	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	141.5	-178	-63	112.6	0	0	0	113.1	K11 E13 C22 K23 I29 R35 A37 P50	K11-W52 HydrophobicContact CD-CH2 4.01Å; K11-W52 HydrophobicContact CG-CH2 4.13Å; E13-W52 HydrophobicContact CG-CH2 3.39Å; E13-W52 HydrophobicContact CG-CZ2 4.16Å; E13-W52 HydrophobicContact CG-CZ3 3.69Å; E13-W52 VanDerWaalsContact OE1-CH2 3.32Å; E13-W52 WeakPolarHBondContact OE1-CH2 3.34Å; E13-W52 WeakPolarHBondContact OE1-CZ2 3.46Å; C22-W52 WeakPolarHBondContact CA-O 3.42Å; K23-W52 PolarHBondContact N-O 3.45Å; I29-W52 HydrophobicContact CD1-CB 3.86Å; R35-W52 HydrophobicContact CB-CE3 4.17Å; R35-W52 VanDerWaalsContact CD-CE3 3.45Å; R35-W52 HydrophobicContact CG-CD2 4.26Å; R35-W52 HydrophobicContact CG-CE3 3.58Å; R35-W52 HydrophobicContact CG-CZ3 3.92Å; A37-W52 HydrophobicContact CB-CD2 3.87Å; A37-W52 HydrophobicContact CB-CE3 3.37Å; A37-W52 HydrophobicContact CB-CH2 4.05Å; A37-W52 HydrophobicContact CB-CZ3 3.45Å; A37-W52 VanDerWaalsContact CB-CZ3 3.45Å; P50-W52 HydrophobicContact CB-CD2 4.13Å; P50-W52 HydrophobicContact CB-CH2 4.07Å; P50-W52 HydrophobicContact CB-CZ2 3.53Å; P50-W52 HydrophobicContact CG-CZ2 3.59Å; P50-W52 PolarHBondContact O-N 3.16Å
53	H	88.7	Confident	79.8	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.8	174.7	-60.5	-85.1	0	0	0	109.4	M36 H51 C57 F58	M36-H53 PolarHBondContact N-O 3.16Å; M36-H53 VanDerWaalsContact N-O 3.09Å; M36-H53 PolarHBondContact O-N 3.01Å; H51-H53 PolarHBondContact O-CD2 2.94Å; H51-H53 PolarHBondContact O-NE2 2.9Å; H53-C57 HydrophobicContact CB-CB 4.28Å; H53-F58 HydrophobicContact CB-CB 3.96Å
54	H	88.3	Confident	80.1	Confident	46 Å²	46	41.7 Å²	41.7	21%	0.213	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	151.2	160.4	-57.6	98.7	0	0	0	109.3	C22 C25 S28 S56 C57 F58	C22-H54 WeakPolarHBondContact CB-CE1 3.33Å; C22-H54 WeakPolarHBondContact CB-ND1 3.37Å; C22-H54 PolarHBondContact SG-ND1 3.4Å; C25-H54 PolarHBondContact SG-CE1 2.87Å; C25-H54 PolarHBondContact SG-ND1 3.07Å; C25-H54 VanDerWaalsContact SG-ND1 3.4Å; S28-H54 PolarHBondContact O-NE2 2.88Å; H54-S56 VanDerWaalsContact C-N 3.31Å; H54-S56 PolarHBondContact O-N 2.98Å; H54-C57 HydrophobicContact CB-CB 4.16Å; H54-C57 WeakPolarHBondContact O-CA 3.14Å; H54-C57 WeakPolarHBondContact O-CB 3.33Å; H54-C57 PolarHBondContact O-N 2.78Å; H54-F58 PolarHBondContact O-N 3.11Å
55	F	88.1	Confident	80.4	Confident	36 Å²	36	41.1 Å²	41.1	16%	0.158	21%	0.209	C	C	.	.	H	α-helix	trans	-48.3	-50.6	179	179.2	-98	0	0	0	112.7	L34 M36 C57 F58 W59 K83 V84 A87	L34-F55 HydrophobicContact CD2-CB 4.39Å; L34-F55 HydrophobicContact CD2-CD2 3.52Å; L34-F55 HydrophobicContact CD2-CE2 4.03Å; L34-F55 HydrophobicContact CD2-CG 4.08Å; L34-F55 HydrophobicContact CG-CD2 4.21Å; M36-F55 HydrophobicContact CG-CD2 4.32Å; M36-F55 HydrophobicContact SD-CD2 3.65Å; M36-F55 HydrophobicContact SD-CE2 3.89Å; F55-C57 VanDerWaalsContact C-N 3.34Å; F55-C57 PolarHBondContact O-N 3.3Å; F55-F58 PolarHBondContact O-N 2.91Å; F55-W59 AromaticContact CD2-NE1 3.9Å; F55-W59 AromaticContact CE1-NE1 3.67Å; F55-W59 HydrophobicContact CE2-CZ2 4.08Å; F55-W59 AromaticContact CE2-NE1 3.5Å; F55-W59 HydrophobicContact CZ-CZ2 4.3Å; F55-W59 AromaticContact CZ-NE1 3.38Å; F55-W59 PolarHBondContact O-NE1 2.79Å; F55-K83 HydrophobicContact CZ-CB 4.31Å; F55-V84 HydrophobicContact CE2-CG2 3.71Å; F55-A87 HydrophobicContact CZ-CB 3.99Å
56	S	84.4	Confident	80.7	Confident	56 Å²	56	38.9 Å²	38.9	39%	0.392	21%	0.205	S	C	.	.	H	α-helix	trans	-66	-32.8	178.3	55.6	0	0	0	0	113.7	H54	H54-S56 VanDerWaalsContact C-N 3.31Å; H54-S56 PolarHBondContact O-N 2.98Å
57	C	82.8	Confident	81.2	Confident	15 Å²	15	40.2 Å²	40.2	10%	0.101	21%	0.214	C	C	.	.	H	α-helix	trans	-74.3	-29.8	180	-79.4	0	0	0	0	113.1	K24 H53 H54 F55 L60	K24-C57 HydrophobicContact CB-CB 4.02Å; K24-C57 HydrophobicContact CD-CB 4.02Å; K24-C57 WeakPolarHBondContact CD-O 3.34Å; K24-C57 HydrophobicContact CG-CB 4.43Å; H53-C57 HydrophobicContact CB-CB 4.28Å; H54-C57 HydrophobicContact CB-CB 4.16Å; H54-C57 WeakPolarHBondContact O-CA 3.14Å; H54-C57 WeakPolarHBondContact O-CB 3.33Å; H54-C57 PolarHBondContact O-N 2.78Å; F55-C57 VanDerWaalsContact C-N 3.34Å; F55-C57 PolarHBondContact O-N 3.3Å; C57-L60 PolarHBondContact O-N 3.23Å
58	F	85.8	Confident	81.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-46.8	-178	173.4	-95.4	0	0	0	111.9	Y10 M36 I38 H53 H54 F55 L60 R61 A62 P64	Y10-F58 AromaticContact CD1-CE2 3.85Å; Y10-F58 HydrophobicContact CD1-CE2 3.85Å; Y10-F58 AromaticContact CD1-CZ 3.58Å; Y10-F58 HydrophobicContact CD1-CZ 3.58Å; Y10-F58 HydrophobicContact CE1-CZ 4.18Å; Y10-F58 HydrophobicContact CG-CE2 4.48Å; Y10-F58 AromaticContact CG-CZ 3.92Å; Y10-F58 HydrophobicContact CG-CZ 3.92Å; M36-F58 HydrophobicContact CB-CB 3.82Å; M36-F58 HydrophobicContact CB-CD1 4.04Å; M36-F58 HydrophobicContact CB-CD2 3.49Å; M36-F58 VanDerWaalsContact CB-CD2 3.49Å; M36-F58 HydrophobicContact CB-CE2 4.02Å; M36-F58 HydrophobicContact CB-CG 3.5Å; M36-F58 VanDerWaalsContact CB-CG 3.5Å; M36-F58 HydrophobicContact CE-CD1 3.62Å; M36-F58 HydrophobicContact CE-CE1 3.37Å; M36-F58 HydrophobicContact CE-CE2 4.49Å; M36-F58 HydrophobicContact CE-CG 4.29Å; M36-F58 HydrophobicContact CE-CZ 3.86Å; M36-F58 HydrophobicContact CG-CD1 4.47Å; M36-F58 HydrophobicContact CG-CG 4.32Å; M36-F58 HydrophobicContact SD-CB 4.35Å; M36-F58 HydrophobicContact SD-CD1 3.58Å; M36-F58 VanDerWaalsContact SD-CD1 3.58Å; M36-F58 HydrophobicContact SD-CE1 4.02Å; M36-F58 HydrophobicContact SD-CG 3.99Å; I38-F58 HydrophobicContact CG1-CD2 4.3Å; I38-F58 HydrophobicContact CG1-CE2 3.88Å; H53-F58 HydrophobicContact CB-CB 3.96Å; H54-F58 PolarHBondContact O-N 3.11Å; F55-F58 PolarHBondContact O-N 2.91Å; F58-L60 PolarHBondContact O-N 3.02Å; F58-R61 CarbonylContact O-C 3Å; F58-R61 WeakPolarHBondContact O-CA 3.33Å; F58-R61 PolarHBondContact O-N 3.13Å; F58-A62 HydrophobicContact CD2-CB 4.25Å; F58-A62 HydrophobicContact CE1-CB 3.96Å; F58-A62 HydrophobicContact CE2-CB 3.68Å; F58-A62 HydrophobicContact CZ-CB 3.51Å; F58-A62 PolarHBondContact O-N 2.87Å; F58-P64 HydrophobicContact CE1-CG 3.87Å; F58-P64 HydrophobicContact CZ-CG 4.3Å
59	W	82.1	Confident	81.5	Confident	18 Å²	18	41.1 Å²	41.1	7%	0.068	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.9	-178.6	-59.2	109.3	0	0	0	114.4	M36 F55 A62 P64 V84 A87 I88	M36-W59 HydrophobicContact CE-CH2 4.26Å; M36-W59 HydrophobicContact CE-CZ2 3.93Å; M36-W59 HydrophobicContact SD-CZ2 3.82Å; F55-W59 AromaticContact CD2-NE1 3.9Å; F55-W59 AromaticContact CE1-NE1 3.67Å; F55-W59 HydrophobicContact CE2-CZ2 4.08Å; F55-W59 AromaticContact CE2-NE1 3.5Å; F55-W59 HydrophobicContact CZ-CZ2 4.3Å; F55-W59 AromaticContact CZ-NE1 3.38Å; F55-W59 PolarHBondContact O-NE1 2.79Å; W59-A62 WeakPolarHBondContact CA-O 3.42Å; W59-P64 HydrophobicContact CE3-CG 4.42Å; W59-P64 HydrophobicContact CH2-CG 3.65Å; W59-P64 HydrophobicContact CZ3-CG 3.42Å; W59-P64 VanDerWaalsContact CZ3-CG 3.42Å; W59-V84 HydrophobicContact CH2-CG1 4.48Å; W59-V84 HydrophobicContact CZ2-CG1 4.45Å; W59-A87 HydrophobicContact CD2-CB 4.12Å; W59-A87 HydrophobicContact CH2-CB 3.96Å; W59-A87 HydrophobicContact CZ2-CB 3.48Å; W59-A87 VanDerWaalsContact CZ2-CB 3.48Å; W59-A87 HydrophobicContact CZ3-CB 4.42Å; W59-I88 HydrophobicContact CH2-CG1 3.61Å; W59-I88 HydrophobicContact CZ3-CG1 3.94Å
60	L	76.3	Confident	81.6	Confident	91 Å²	91	39.4 Å²	39.4	48%	0.476	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.7	175.4	-57.8	164.8	0	0	0	112.6	K24 C57 F58	K24-L60 HydrophobicContact CD-CB 4.08Å; K24-L60 HydrophobicContact CD-CD1 4.25Å; C57-L60 PolarHBondContact O-N 3.23Å; F58-L60 PolarHBondContact O-N 3.02Å
61	R	72.4	Confident	81.4	Confident	90 Å²	90	37.7 Å²	37.7	34%	0.34	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-19.7	-177.6	-74.5	-76	-172.4	166.1	-0.8	112.6	K24 I38 F58 G153 L154	K24-R61 HydrophobicContact CB-CG 4.43Å; K24-R61 HydrophobicContact CD-CG 4.21Å; I38-R61 HydrophobicContact CD1-CB 4.01Å; F58-R61 CarbonylContact O-C 3Å; F58-R61 WeakPolarHBondContact O-CA 3.33Å; F58-R61 PolarHBondContact O-N 3.13Å; R61-G153 CarbonylContact O-C 3.58Å; R61-G153 VanDerWaalsContact O-CA 3.23Å; R61-G153 WeakPolarHBondContact O-CA 3.39Å; R61-L154 PolarHBondContact O-N 3.5Å
62	A	77.8	Confident	81	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-147.2	152	-179.4	0	0	0	0	0	111.3	Y10 I38 F58 W59 V145	Y10-A62 HydrophobicContact CD1-CB 4.05Å; Y10-A62 HydrophobicContact CE1-CB 3.43Å; Y10-A62 VanDerWaalsContact CE1-CB 3.43Å; I38-A62 HydrophobicContact CD1-CB 3.86Å; I38-A62 HydrophobicContact CG1-CB 4.01Å; F58-A62 HydrophobicContact CD2-CB 4.25Å; F58-A62 HydrophobicContact CE1-CB 3.96Å; F58-A62 HydrophobicContact CE2-CB 3.68Å; F58-A62 HydrophobicContact CZ-CB 3.51Å; F58-A62 PolarHBondContact O-N 2.87Å; W59-A62 WeakPolarHBondContact CA-O 3.42Å; A62-V145 HydrophobicContact CB-CG2 4.22Å
63	A	76.3	Confident	80.6	Confident	21 Å²	21	35.6 Å²	35.6	17%	0.174	20%	0.199	C	C	.	.			trans	-135.4	77.8	178.6	0	0	0	0	0	109.8	Q65 L154	A63-Q65 PolarHBondContact O-NE2 3.29Å; A63-L154 HydrophobicContact CB-CD2 4.21Å
64	P	78.4	Confident	79.9	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.039	21%	0.212	C	C	.	.			trans	-59	139.9	173.3	23.7	-32.1	0	0	0	110.6	Y10 F58 W59 D69 I70 I88	Y10-P64 HydrophobicContact CD2-CB 3.65Å; Y10-P64 HydrophobicContact CD2-CG 4.49Å; Y10-P64 HydrophobicContact CE2-CB 3.75Å; Y10-P64 HydrophobicContact CG-CB 4.44Å; F58-P64 HydrophobicContact CE1-CG 3.87Å; F58-P64 HydrophobicContact CZ-CG 4.3Å; W59-P64 HydrophobicContact CE3-CG 4.42Å; W59-P64 HydrophobicContact CH2-CG 3.65Å; W59-P64 HydrophobicContact CZ3-CG 3.42Å; W59-P64 VanDerWaalsContact CZ3-CG 3.42Å; P64-D69 HydrophobicContact CB-CB 4.5Å; P64-I70 HydrophobicContact CB-CD1 4.08Å; P64-I70 HydrophobicContact CB-CG1 4.04Å; P64-I70 HydrophobicContact CG-CD1 3.97Å; P64-I70 HydrophobicContact CG-CG1 4.36Å; P64-I88 HydrophobicContact CG-CG1 4.29Å
65	Q	74.3	Confident	79.3	Confident	111 Å²	111	38.3 Å²	38.3	52%	0.519	22%	0.219	S	C	.	.	S	Bend	trans	-91.8	-31.4	-176.4	-61.1	-59.1	-60.8	0	0	111.4	A63 D69 I88	A63-Q65 PolarHBondContact O-NE2 3.29Å; Q65-D69 PolarHBondContact N-OD2 2.98Å; Q65-D69 VanDerWaalsContact N-OD2 3.16Å; Q65-I88 WeakPolarHBondContact O-CG2 3.39Å
66	S	77.9	Confident	79.1	Confident	50 Å²	50	36.6 Å²	36.6	35%	0.35	21%	0.211	S	C	.	.	S	Bend	trans	-132.8	153.3	178.5	-179.7	0	0	0	0	111.5	A68 D69	S66-A68 PolarHBondContact O-N 3.03Å; S66-A68 WeakPolarHBondContact OG-CB 3.05Å; S66-A68 PolarHBondContact OG-N 2.91Å; S66-A68 VanDerWaalsContact OG-N 3.09Å; S66-D69 PolarHBondContact N-OD2 2.89Å; S66-D69 WeakPolarHBondContact O-CB 3.31Å; S66-D69 PolarHBondContact O-N 2.91Å
67	T	79	Confident	79.1	Confident	43 Å²	43	38.5 Å²	38.5	26%	0.264	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-60.8	-22.4	166.4	57.6	0	0	0	0	112.4	D69 I70 F73 K85 I88	T67-D69 PolarHBondContact O-N 3.06Å; T67-I70 PolarHBondContact O-N 2.8Å; T67-F73 HydrophobicContact CG2-CD1 4.45Å; T67-F73 HydrophobicContact CG2-CD2 4.3Å; T67-F73 HydrophobicContact CG2-CE1 3.97Å; T67-F73 HydrophobicContact CG2-CE2 3.79Å; T67-F73 HydrophobicContact CG2-CZ 3.62Å; T67-K85 HydrophobicContact CG2-CG 3.66Å; T67-I88 HydrophobicContact CG2-CD1 3.77Å
68	A	77.1	Confident	79.1	Confident	55 Å²	55	39 Å²	39	46%	0.455	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-65.3	-26.1	173.9	0	0	0	0	0	112.6	K8 S66 I70	K8-A68 VanDerWaalsContact CD-O 3.25Å; K8-A68 WeakPolarHBondContact CD-O 3.37Å; K8-A68 WeakPolarHBondContact CE-O 3.5Å; K8-A68 PolarHBondContact NZ-O 3.45Å; S66-A68 PolarHBondContact O-N 3.03Å; S66-A68 WeakPolarHBondContact OG-CB 3.05Å; S66-A68 PolarHBondContact OG-N 2.91Å; S66-A68 VanDerWaalsContact OG-N 3.09Å; A68-I70 PolarHBondContact O-N 2.87Å
69	D	76.6	Confident	79	Confident	60 Å²	60	45.5 Å²	45.5	32%	0.321	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-78.2	-5.4	-178.2	-52.3	-27	0	0	0	112.9	Y10 P64 Q65 S66 T67	Y10-D69 HydrophobicContact CD2-CB 4.12Å; P64-D69 HydrophobicContact CB-CB 4.5Å; Q65-D69 PolarHBondContact N-OD2 2.98Å; Q65-D69 VanDerWaalsContact N-OD2 3.16Å; S66-D69 PolarHBondContact N-OD2 2.89Å; S66-D69 WeakPolarHBondContact O-CB 3.31Å; S66-D69 PolarHBondContact O-N 2.91Å; T67-D69 PolarHBondContact O-N 3.06Å
70	I	82.7	Confident	79.2	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.6	-173.6	-54	172.2	0	0	0	109.2	Y10 A12 M36 P64 T67 A68 F73 V84 I88	Y10-I70 WeakPolarHBondContact O-CA 3.32Å; A12-I70 HydrophobicContact CB-CG2 3.62Å; M36-I70 HydrophobicContact CE-CD1 3.85Å; M36-I70 HydrophobicContact CE-CG2 4.41Å; P64-I70 HydrophobicContact CB-CD1 4.08Å; P64-I70 HydrophobicContact CB-CG1 4.04Å; P64-I70 HydrophobicContact CG-CD1 3.97Å; P64-I70 HydrophobicContact CG-CG1 4.36Å; T67-I70 PolarHBondContact O-N 2.8Å; A68-I70 PolarHBondContact O-N 2.87Å; I70-F73 HydrophobicContact CB-CB 4.3Å; I70-F73 HydrophobicContact CG2-CB 4.34Å; I70-F73 WeakPolarHBondContact O-CB 3.41Å; I70-F73 PolarHBondContact O-N 3.49Å; I70-V84 HydrophobicContact CD1-CG1 3.7Å; I70-I88 HydrophobicContact CD1-CD1 4.02Å
71	A	82.4	Confident	79.6	Confident	7 Å²	7	42 Å²	42	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	138.7	170.9	0	0	0	0	0	111.2	K8 Y10 K11 A12 F73	K8-A71 HydrophobicContact CB-CB 4.13Å; K8-A71 HydrophobicContact CD-CB 4.13Å; Y10-A71 PolarHBondContact O-N 2.85Å; K11-A71 CarbonylContact C-O 3.53Å; K11-A71 WeakPolarHBondContact CA-O 3.36Å; K11-A71 HydrophobicContact CB-CB 4.35Å; K11-A71 HydrophobicContact CG-CB 4.32Å; A12-A71 PolarHBondContact N-O 2.79Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F73 PolarHBondContact O-N 3.07Å
72	G	79.1	Confident	80.1	Confident	11 Å²	11	40.9 Å²	40.9	11%	0.113	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.1	-179.9	0	0	0	0	0	115.3	S74 D75	G72-S74 VanDerWaalsContact C-N 3.35Å; G72-S74 PolarHBondContact O-N 3.06Å; G72-D75 PolarHBondContact O-N 3.09Å; G72-D75 VanDerWaalsContact O-N 3.13Å
73	F	81.9	Confident	80.4	Confident	22 Å²	22	45.5 Å²	45.5	10%	0.096	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-58.5	-42.3	178.7	174.6	-98.8	0	0	0	113.2	T67 I70 A71 D75 L76 Q81 V84 K85	T67-F73 HydrophobicContact CG2-CD1 4.45Å; T67-F73 HydrophobicContact CG2-CD2 4.3Å; T67-F73 HydrophobicContact CG2-CE1 3.97Å; T67-F73 HydrophobicContact CG2-CE2 3.79Å; T67-F73 HydrophobicContact CG2-CZ 3.62Å; I70-F73 HydrophobicContact CB-CB 4.3Å; I70-F73 HydrophobicContact CG2-CB 4.34Å; I70-F73 WeakPolarHBondContact O-CB 3.41Å; I70-F73 PolarHBondContact O-N 3.49Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F73 PolarHBondContact O-N 3.07Å; F73-D75 PolarHBondContact O-N 3.45Å; F73-L76 HydrophobicContact CD2-CD1 4.36Å; F73-L76 WeakPolarHBondContact O-CB 2.9Å; F73-L76 PolarHBondContact O-N 3.17Å; F73-Q81 HydrophobicContact CE1-CB 4.37Å; F73-Q81 HydrophobicContact CE1-CG 4.33Å; F73-Q81 HydrophobicContact CE2-CB 3.95Å; F73-Q81 HydrophobicContact CE2-CG 4.17Å; F73-Q81 HydrophobicContact CZ-CB 3.65Å; F73-Q81 HydrophobicContact CZ-CG 3.98Å; F73-Q81 WeakPolarHBondContact O-CG 3.34Å; F73-V84 HydrophobicContact CD2-CB 4.25Å; F73-V84 HydrophobicContact CD2-CG1 3.87Å; F73-V84 HydrophobicContact CE2-CB 3.84Å; F73-V84 HydrophobicContact CE2-CG1 3.74Å; F73-K85 HydrophobicContact CZ-CD 4.34Å; F73-K85 HydrophobicContact CZ-CG 4Å
74	S	74.6	Confident	80.8	Confident	44 Å²	44	44.5 Å²	44.5	31%	0.308	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60	-25.9	177.3	53.9	0	0	0	0	113.8	G72 L76 Q81 G304	G72-S74 VanDerWaalsContact C-N 3.35Å; G72-S74 PolarHBondContact O-N 3.06Å; S74-L76 VanDerWaalsContact C-N 3.34Å; S74-Q81 PolarHBondContact O-NE2 3.25Å; S74-Q81 VanDerWaalsContact O-NE2 3.14Å; S74-G304 WeakPolarHBondContact CB-O 3.37Å; S74-G304 WeakPolarHBondContact OG-CA 3.41Å; S74-G304 PolarHBondContact OG-O 3.31Å
75	D	75.9	Confident	81.1	Confident	65 Å²	65	47.7 Å²	47.7	35%	0.348	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-89.6	-9.8	-171	-51.4	-27.6	0	0	0	111	G72 F73 W244	G72-D75 PolarHBondContact O-N 3.09Å; G72-D75 VanDerWaalsContact O-N 3.13Å; F73-D75 PolarHBondContact O-N 3.45Å; D75-W244 VanDerWaalsContact O-CZ2 3.28Å; D75-W244 WeakPolarHBondContact O-CZ2 3.35Å; D75-W244 PolarHBondContact O-NE1 3.07Å
76	L	83.3	Confident	81.5	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.245	C	C	.	.	S	Bend	trans	-71	157.4	175.8	-57.3	-178.4	0	0	0	111.9	A12 Y14 L34 F73 S74 D80 Q81 V84 W244	A12-L76 HydrophobicContact CB-CD1 3.99Å; A12-L76 HydrophobicContact CB-CD2 4.46Å; Y14-L76 HydrophobicContact CD2-CD2 4.43Å; Y14-L76 HydrophobicContact CE2-CD2 3.98Å; L34-L76 HydrophobicContact CD1-CD1 4Å; L34-L76 HydrophobicContact CD1-CD2 3.65Å; L34-L76 HydrophobicContact CD1-CG 4.45Å; F73-L76 HydrophobicContact CD2-CD1 4.36Å; F73-L76 WeakPolarHBondContact O-CB 2.9Å; F73-L76 PolarHBondContact O-N 3.17Å; S74-L76 VanDerWaalsContact C-N 3.34Å; L76-D80 HydrophobicContact CB-CB 4.41Å; L76-Q81 HydrophobicContact CB-CG 3.86Å; L76-Q81 PolarHBondContact O-NE2 2.95Å; L76-V84 HydrophobicContact CD1-CG2 4.17Å; L76-W244 PolarHBondContact O-NE1 3.47Å
77	R	85.2	Confident	81.6	Confident	96 Å²	96	45.3 Å²	45.3	36%	0.362	23%	0.228	S	C	.	.			trans	-61.3	147	168.9	-67.8	174.3	172.4	-141.9	-10.9	109.8	Y14 E79 D80 Q81 W244 D248	Y14-R77 HydrophobicContact CE2-CG 4.34Å; Y14-R77 VanDerWaalsContact OH-CB 3.23Å; Y14-R77 WeakPolarHBondContact OH-CB 3.32Å; Y14-R77 VanDerWaalsContact OH-CG 3.25Å; Y14-R77 WeakPolarHBondContact OH-CG 3.26Å; Y14-R77 PolarHBondContact OH-N 2.81Å; R77-E79 VanDerWaalsContact C-N 3.27Å; R77-E79 PolarHBondContact O-N 2.63Å; R77-D80 WeakPolarHBondContact O-CA 3.22Å; R77-D80 PolarHBondContact O-N 2.89Å; R77-Q81 PolarHBondContact O-N 3.04Å; R77-W244 HydrophobicContact CG-CD2 3.59Å; R77-W244 VanDerWaalsContact CG-CE2 3.5Å; R77-W244 HydrophobicContact CG-CE3 4.03Å; R77-W244 HydrophobicContact CG-CG 3.99Å; R77-W244 HydrophobicContact CG-CH2 4.27Å; R77-W244 HydrophobicContact CG-CZ2 3.87Å; R77-W244 HydrophobicContact CG-CZ3 4.34Å; R77-D248 IonicContact CZ-OD2 2.65Å; R77-D248 IonicContact NH2-OD1 3.44Å; R77-D248 PolarHBondContact NH2-OD1 3.01Å; R77-D248 IonicContact NH2-OD2 3.19Å; R77-D248 PolarHBondContact NH2-OD2 3.17Å
78	W	82.3	Confident	81.6	Confident	24 Å²	24	44.8 Å²	44.8	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-51.8	-43.8	-178.7	-178.4	-97.2	0	0	0	113.4	D80 Q81 E82 K236 Q237	W78-D80 VanDerWaalsContact C-N 3.29Å; W78-D80 PolarHBondContact O-N 2.81Å; W78-Q81 WeakPolarHBondContact O-CB 2.89Å; W78-Q81 PolarHBondContact O-N 3.08Å; W78-E82 PolarHBondContact NE1-OE1 3.07Å; W78-E82 PolarHBondContact O-N 2.79Å; W78-K236 HydrophobicContact CH2-CB 4.49Å; W78-K236 HydrophobicContact CZ3-CB 4.04Å; W78-Q237 HydrophobicContact CD2-CB 4.04Å; W78-Q237 HydrophobicContact CD2-CG 4.03Å; W78-Q237 HydrophobicContact CE3-CB 4.36Å; W78-Q237 HydrophobicContact CG-CG 4.01Å; W78-Q237 HydrophobicContact CH2-CB 4.41Å; W78-Q237 HydrophobicContact CZ2-CB 4.13Å
79	E	83.7	Confident	81.5	Confident	137 Å²	137	48.7 Å²	48.7	64%	0.64	23%	0.232	S	C	*	.	H	α-helix	trans	-59.2	-40	177	-64.3	176	-166.9	0	0	112.5	R77 E82 K83	R77-E79 VanDerWaalsContact C-N 3.27Å; R77-E79 PolarHBondContact O-N 2.63Å; E79-E82 PolarHBondContact O-N 2.96Å; E79-K83 VanDerWaalsContact O-CG 3.28Å; E79-K83 WeakPolarHBondContact O-CG 3.43Å; E79-K83 PolarHBondContact O-N 2.87Å
80	D	86	Confident	81.1	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-77.3	-30.9	179.2	-68.2	-30.6	0	0	0	111.8	Y14 L34 L76 R77 W78 E82 K83 V84	Y14-D80 WeakPolarHBondContact CE1-OD2 3.37Å; Y14-D80 PolarHBondContact OH-OD2 3.33Å; L34-D80 HydrophobicContact CD2-CB 4.04Å; L76-D80 HydrophobicContact CB-CB 4.41Å; R77-D80 WeakPolarHBondContact O-CA 3.22Å; R77-D80 PolarHBondContact O-N 2.89Å; W78-D80 VanDerWaalsContact C-N 3.29Å; W78-D80 PolarHBondContact O-N 2.81Å; D80-E82 VanDerWaalsContact C-N 3.34Å; D80-K83 PolarHBondContact O-N 3.41Å; D80-K83 WeakPolarHBondContact OD1-CD 3.37Å; D80-K83 IonicContact OD1-NZ 3.11Å; D80-K83 PolarHBondContact OD1-NZ 3.25Å; D80-V84 VanDerWaalsContact O-CG2 3.31Å; D80-V84 WeakPolarHBondContact O-CG2 3.43Å; D80-V84 PolarHBondContact O-N 2.9Å
81	Q	83.8	Confident	80.2	Confident	19 Å²	19	50 Å²	50	9%	0.089	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-43.7	168.7	-67.4	-174.5	25.1	0	0	111.1	F73 S74 L76 R77 W78 V84 K85	F73-Q81 HydrophobicContact CE1-CB 4.37Å; F73-Q81 HydrophobicContact CE1-CG 4.33Å; F73-Q81 HydrophobicContact CE2-CB 3.95Å; F73-Q81 HydrophobicContact CE2-CG 4.17Å; F73-Q81 HydrophobicContact CZ-CB 3.65Å; F73-Q81 HydrophobicContact CZ-CG 3.98Å; F73-Q81 WeakPolarHBondContact O-CG 3.34Å; S74-Q81 PolarHBondContact O-NE2 3.25Å; S74-Q81 VanDerWaalsContact O-NE2 3.14Å; L76-Q81 HydrophobicContact CB-CG 3.86Å; L76-Q81 PolarHBondContact O-NE2 2.95Å; R77-Q81 PolarHBondContact O-N 3.04Å; W78-Q81 WeakPolarHBondContact O-CB 2.89Å; W78-Q81 PolarHBondContact O-N 3.08Å; Q81-V84 PolarHBondContact O-N 3.34Å; Q81-K85 WeakPolarHBondContact O-CG 3.25Å; Q81-K85 PolarHBondContact O-N 3.34Å
82	E	84.5	Confident	79.1	Confident	67 Å²	67	50.5 Å²	50.5	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-40.7	173.5	-75.6	-168	-167.1	0	0	112.5	W78 E79 D80 V84 K85 K86	W78-E82 PolarHBondContact NE1-OE1 3.07Å; W78-E82 PolarHBondContact O-N 2.79Å; E79-E82 PolarHBondContact O-N 2.96Å; D80-E82 VanDerWaalsContact C-N 3.34Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 2.71Å; E82-K85 PolarHBondContact O-N 3.38Å; E82-K86 WeakPolarHBondContact O-CB 3.41Å; E82-K86 WeakPolarHBondContact O-CG 3.31Å; E82-K86 PolarHBondContact O-N 2.95Å; E82-K86 IonicContact OE2-NZ 2.8Å; E82-K86 PolarHBondContact OE2-NZ 2.82Å
83	K	84.1	Confident	77.5	Confident	96 Å²	96	53.2 Å²	53.2	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-43.9	175.9	-73.7	171.4	-157.6	159.9	0	111.6	F55 E79 D80 A87	F55-K83 HydrophobicContact CZ-CB 4.31Å; E79-K83 VanDerWaalsContact O-CG 3.28Å; E79-K83 WeakPolarHBondContact O-CG 3.43Å; E79-K83 PolarHBondContact O-N 2.87Å; D80-K83 PolarHBondContact O-N 3.41Å; D80-K83 WeakPolarHBondContact OD1-CD 3.37Å; D80-K83 IonicContact OD1-NZ 3.11Å; D80-K83 PolarHBondContact OD1-NZ 3.25Å; K83-A87 VanDerWaalsContact O-CB 3.28Å; K83-A87 WeakPolarHBondContact O-CB 3.48Å; K83-A87 PolarHBondContact O-N 3Å
84	V	84	Confident	75.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-45.2	175.9	170.3	0	0	0	0	110.7	F55 W59 I70 F73 L76 D80 Q81 E82 K86 A87 I88	F55-V84 HydrophobicContact CE2-CG2 3.71Å; W59-V84 HydrophobicContact CH2-CG1 4.48Å; W59-V84 HydrophobicContact CZ2-CG1 4.45Å; I70-V84 HydrophobicContact CD1-CG1 3.7Å; F73-V84 HydrophobicContact CD2-CB 4.25Å; F73-V84 HydrophobicContact CD2-CG1 3.87Å; F73-V84 HydrophobicContact CE2-CB 3.84Å; F73-V84 HydrophobicContact CE2-CG1 3.74Å; L76-V84 HydrophobicContact CD1-CG2 4.17Å; D80-V84 VanDerWaalsContact O-CG2 3.31Å; D80-V84 WeakPolarHBondContact O-CG2 3.43Å; D80-V84 PolarHBondContact O-N 2.9Å; Q81-V84 PolarHBondContact O-N 3.34Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 2.71Å; V84-K86 PolarHBondContact O-N 3.22Å; V84-A87 PolarHBondContact O-N 3.25Å; V84-A87 VanDerWaalsContact O-N 3.17Å; V84-I88 HydrophobicContact CG1-CD1 4.08Å; V84-I88 WeakPolarHBondContact O-CG1 3.28Å; V84-I88 PolarHBondContact O-N 3.1Å
85	K	84.4	Confident	74	Confident	73 Å²	73	56.2 Å²	56.2	32%	0.317	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-50.3	175.9	-77.6	173.3	177.4	175.6	0	112	T67 F73 Q81 E82 A87 I88 E89	T67-K85 HydrophobicContact CG2-CG 3.66Å; F73-K85 HydrophobicContact CZ-CD 4.34Å; F73-K85 HydrophobicContact CZ-CG 4Å; Q81-K85 WeakPolarHBondContact O-CG 3.25Å; Q81-K85 PolarHBondContact O-N 3.34Å; E82-K85 PolarHBondContact O-N 3.38Å; K85-A87 VanDerWaalsContact C-N 3.26Å; K85-A87 PolarHBondContact O-N 2.96Å; K85-I88 PolarHBondContact O-N 3.32Å; K85-I88 VanDerWaalsContact O-N 3.16Å; K85-E89 WeakPolarHBondContact O-CG 3.44Å; K85-E89 PolarHBondContact O-N 3.09Å
86	K	82.4	Confident	72	Confident	112 Å²	112	60.7 Å²	60.7	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-36.9	176.3	-74.2	169.5	179	158.3	0	111.7	E82 V84 S90	E82-K86 WeakPolarHBondContact O-CB 3.41Å; E82-K86 WeakPolarHBondContact O-CG 3.31Å; E82-K86 PolarHBondContact O-N 2.95Å; E82-K86 IonicContact OE2-NZ 2.8Å; E82-K86 PolarHBondContact OE2-NZ 2.82Å; V84-K86 PolarHBondContact O-N 3.22Å; K86-S90 VanDerWaalsContact O-CB 3.29Å; K86-S90 WeakPolarHBondContact O-CB 3.35Å; K86-S90 PolarHBondContact O-N 3.48Å; K86-S90 PolarHBondContact O-OG 2.91Å
87	A	79.4	Confident	69.4	Low	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-69.2	-36.8	176.7	0	0	0	0	0	112.9	F55 W59 K83 V84 K85 S90 G91 G92	F55-A87 HydrophobicContact CZ-CB 3.99Å; W59-A87 HydrophobicContact CD2-CB 4.12Å; W59-A87 HydrophobicContact CH2-CB 3.96Å; W59-A87 HydrophobicContact CZ2-CB 3.48Å; W59-A87 VanDerWaalsContact CZ2-CB 3.48Å; W59-A87 HydrophobicContact CZ3-CB 4.42Å; K83-A87 VanDerWaalsContact O-CB 3.28Å; K83-A87 WeakPolarHBondContact O-CB 3.48Å; K83-A87 PolarHBondContact O-N 3Å; V84-A87 PolarHBondContact O-N 3.25Å; V84-A87 VanDerWaalsContact O-N 3.17Å; K85-A87 VanDerWaalsContact C-N 3.26Å; K85-A87 PolarHBondContact O-N 2.96Å; A87-S90 PolarHBondContact O-OG 2.89Å; A87-G91 PolarHBondContact O-N 3.18Å; A87-G92 PolarHBondContact O-N 3.42Å
88	I	79.7	Confident	66.6	Low	32 Å²	32	69.7 Å²	69.7	16%	0.164	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-48.5	172.5	-65.9	170.8	0	0	0	110.1	W59 P64 Q65 T67 I70 V84 K85 S90 G91	W59-I88 HydrophobicContact CH2-CG1 3.61Å; W59-I88 HydrophobicContact CZ3-CG1 3.94Å; P64-I88 HydrophobicContact CG-CG1 4.29Å; Q65-I88 WeakPolarHBondContact O-CG2 3.39Å; T67-I88 HydrophobicContact CG2-CD1 3.77Å; I70-I88 HydrophobicContact CD1-CD1 4.02Å; V84-I88 HydrophobicContact CG1-CD1 4.08Å; V84-I88 WeakPolarHBondContact O-CG1 3.28Å; V84-I88 PolarHBondContact O-N 3.1Å; K85-I88 PolarHBondContact O-N 3.32Å; K85-I88 VanDerWaalsContact O-N 3.16Å; I88-S90 VanDerWaalsContact C-N 3.27Å; I88-S90 PolarHBondContact O-N 2.89Å; I88-G91 PolarHBondContact O-N 2.89Å
89	E	75.1	Confident	63.9	Low	137 Å²	137	71.4 Å²	71.4	64%	0.64	42%	0.416	S	S	*	.	H	α-helix	trans	-62.9	-31.6	-179.7	-71.6	168.7	-175.5	0	0	113.3	K85	K85-E89 WeakPolarHBondContact O-CG 3.44Å; K85-E89 PolarHBondContact O-N 3.09Å
90	S	69.5	Low	61.1	Low	52 Å²	52	70.7 Å²	70.7	36%	0.364	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.3	179.8	61.9	0	0	0	0	114.6	K86 A87 I88 G92 A93 V94	K86-S90 VanDerWaalsContact O-CB 3.29Å; K86-S90 WeakPolarHBondContact O-CB 3.35Å; K86-S90 PolarHBondContact O-N 3.48Å; K86-S90 PolarHBondContact O-OG 2.91Å; A87-S90 PolarHBondContact O-OG 2.89Å; I88-S90 VanDerWaalsContact C-N 3.27Å; I88-S90 PolarHBondContact O-N 2.89Å; S90-G92 VanDerWaalsContact C-N 3.3Å; S90-G92 PolarHBondContact O-N 2.55Å; S90-A93 PolarHBondContact O-N 3.18Å; S90-V94 WeakPolarHBondContact OG-CG2 3.35Å
91	G	62	Low	58.2	Low	38 Å²	38	78.6 Å²	78.6	39%	0.392	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	35.6	179.5	0	0	0	0	0	113.6	A87 I88	A87-G91 PolarHBondContact O-N 3.18Å; I88-G91 PolarHBondContact O-N 2.89Å
92	G	59.5	Low	55.4	Low	17 Å²	17	88.2 Å²	88.2	18%	0.175	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	11.1	176	0	0	0	0	0	116.3	A87 S90 V94	A87-G92 PolarHBondContact O-N 3.42Å; S90-G92 VanDerWaalsContact C-N 3.3Å; S90-G92 PolarHBondContact O-N 2.55Å; G92-V94 VanDerWaalsContact C-N 3.3Å; G92-V94 PolarHBondContact O-N 3.46Å
93	A	47.1	Very low	52.5	Low	68 Å²	68	90.4 Å²	90.4	56%	0.562	53%	0.526	S	S	*	.			trans	-81.9	8.3	-175.4	0	0	0	0	0	115.8	S90 G95	S90-A93 PolarHBondContact O-N 3.18Å; A93-G95 PolarHBondContact O-N 2.86Å
94	V	42.6	Very low	49.8	Very low	74 Å²	74	91.1 Å²	91.1	45%	0.448	55%	0.55	S	S	.	*	S	Bend	trans	-96.3	98.2	-179.4	-173.9	0	0	0	0	109.8	S90 G92	S90-V94 WeakPolarHBondContact OG-CG2 3.35Å; G92-V94 VanDerWaalsContact C-N 3.3Å; G92-V94 PolarHBondContact O-N 3.46Å
95	G	39.7	Very low	46.9	Very low	56 Å²	56	95.4 Å²	95.4	58%	0.577	59%	0.586	S	S	*	*			trans	128.2	33.8	164.4	0	0	0	0	0	117.9	A93 G97	A93-G95 PolarHBondContact O-N 2.86Å; G95-G97 PolarHBondContact O-N 3.4Å
96	I	32.8	Very low	44.3	Very low	159 Å²	159	103.1 Å²	103.1	82%	0.815	62%	0.619	S	S	*	*			trans	-83.1	109.1	159.4	-57.5	178.3	0	0	0	107.1
97	G	29	Very low	41.9	Very low	62 Å²	62	100.8 Å²	100.8	64%	0.639	63%	0.627	S	S	*	*			trans	-55.3	142	174.7	0	0	0	0	0	111.7	G95 G99	G95-G97 PolarHBondContact O-N 3.4Å; G97-G99 PolarHBondContact O-N 2.62Å
98	K	26.7	Very low	40.1	Very low	223 Å²	223	105.5 Å²	105.5	97%	0.97	65%	0.649	S	S	*	*	S	Bend	trans	-51.1	108.6	172.7	-76.1	174.5	172.3	175.5	0	110.5
99	G	26.8	Very low	38.8	Very low	61 Å²	61	112.9 Å²	112.9	63%	0.629	68%	0.68	S	S	*	*			trans	-174.9	99	170.1	0	0	0	0	0	111.6	G97	G97-G99 PolarHBondContact O-N 2.62Å
100	S	23.9	Very low	37.9	Very low	121 Å²	121	110.6 Å²	110.6	85%	0.846	68%	0.676	S	S	*	*	S	Bend	trans	68.3	126.8	177.7	83.4	0	0	0	0	115
101	Q	25.9	Very low	37.9	Very low	184 Å²	184	109.6 Å²	109.6	86%	0.86	67%	0.666	S	S	*	*			cis	-137.6	145.4	6.7	-76	170.8	-49.9	0	0	108.7
102	K	24.3	Very low	37.9	Very low	220 Å²	220	111.8 Å²	111.8	96%	0.957	67%	0.668	S	S	*	*			trans	-74.9	117.9	162.8	-83.7	177.4	172.9	177	0	108.7
103	S	22.7	Very low	38.4	Very low	113 Å²	113	112.8 Å²	112.8	79%	0.79	67%	0.67	S	S	*	*			trans	-147.4	109.9	141.8	49	0	0	0	0	107.7	A105	S103-A105 PolarHBondContact O-N 2.87Å
104	A	28.7	Very low	39.9	Very low	112 Å²	112	110 Å²	110	93%	0.926	65%	0.645	S	S	*	*			trans	-77.4	110.6	175.8	0	0	0	0	0	108.5
105	A	23	Very low	41.9	Very low	90 Å²	90	107.1 Å²	107.1	74%	0.744	63%	0.629	S	S	*	*			trans	-133.8	134.6	153.6	0	0	0	0	0	106.8	S103 G107	S103-A105 PolarHBondContact O-N 2.87Å; A105-G107 VanDerWaalsContact C-N 3.26Å; A105-G107 PolarHBondContact O-N 3.03Å
106	K	29.7	Very low	44.1	Very low	234 Å²	234	104.5 Å²	104.5	100%	1.017	60%	0.602	S	S	*	*			trans	-59	90.6	170	-90.2	178.3	169.9	176.8	0	108.3
107	G	30.9	Very low	46.7	Very low	63 Å²	63	99.2 Å²	99.2	65%	0.649	57%	0.574	S	S	*	*			trans	-123	138.4	174.3	0	0	0	0	0	109.9	A105	A105-G107 VanDerWaalsContact C-N 3.26Å; A105-G107 PolarHBondContact O-N 3.03Å
108	E	43.1	Very low	49.4	Very low	100 Å²	100	98.6 Å²	98.6	47%	0.467	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-55.4	138.6	174.4	-70.9	178.3	153.7	0	0	110.8	T110 Q181	E108-T110 PolarHBondContact O-N 3.3Å; E108-Q181 HydrophobicContact CB-CG 3.98Å
109	K	50.9	Low	52.1	Low	187 Å²	187	88 Å²	88	81%	0.813	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-63.7	130.2	179.1	-71.8	179.1	179.4	175.7	0	109.9
110	T	57.1	Low	54.8	Low	89 Å²	89	92.2 Å²	92.2	55%	0.546	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-73.2	136.5	174	38.5	0	0	0	0	111.7	E108 Q181	E108-T110 PolarHBondContact O-N 3.3Å; T110-Q181 CarbonylContact C-O 3.53Å; T110-Q181 WeakPolarHBondContact CA-O 3.46Å
111	L	69.4	Low	57.6	Low	30 Å²	30	88.6 Å²	88.6	16%	0.157	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.6	177.9	-62.8	168.9	0	0	0	110	D113 F114 F173 Y177 Q181	L111-D113 VanDerWaalsContact C-N 3.34Å; L111-F114 HydrophobicContact CB-CD2 4.04Å; L111-F114 HydrophobicContact CD1-CD2 3.94Å; L111-F114 HydrophobicContact CD1-CE2 4.48Å; L111-F173 HydrophobicContact CD1-CE2 3.95Å; L111-Y177 HydrophobicContact CD1-CD1 4.17Å; L111-Y177 HydrophobicContact CD1-CD2 3.68Å; L111-Y177 HydrophobicContact CD1-CE2 4.32Å; L111-Y177 HydrophobicContact CD1-CG 3.62Å; L111-Y177 HydrophobicContact CD2-CD1 4.16Å; L111-Y177 HydrophobicContact CD2-CD2 4.3Å; L111-Y177 HydrophobicContact CD2-CE1 4.03Å; L111-Y177 HydrophobicContact CD2-CE2 4.16Å; L111-Y177 HydrophobicContact CD2-CG 4.33Å; L111-Q181 HydrophobicContact CD1-CB 4.07Å; L111-Q181 HydrophobicContact CG-CB 4.01Å; L111-Q181 PolarHBondContact N-O 3.47Å
112	N	62.5	Low	60.1	Low	84 Å²	84	84.3 Å²	84.3	45%	0.449	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-20.7	-177.1	-75.1	-39.3	0	0	0	114	K143	N112-K143 PolarHBondContact O-NZ 2.9Å
113	D	68.7	Low	62.4	Low	39 Å²	39	84.6 Å²	84.6	21%	0.209	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-10.5	-175.7	-64.9	-21.9	0	0	0	113.4	L111 K142 K143	L111-D113 VanDerWaalsContact C-N 3.34Å; D113-K142 CarbonylContact O-C 3.49Å; D113-K142 WeakPolarHBondContact O-CA 3.43Å; D113-K143 PolarHBondContact O-N 3.5Å
114	F	80.4	Confident	65	Low	9 Å²	9	79.9 Å²	79.9	4%	0.039	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.7	-179.2	-56.6	-81.7	0	0	0	110.8	L111 S141 K142 F164 L171 F173 L182 K183	L111-F114 HydrophobicContact CB-CD2 4.04Å; L111-F114 HydrophobicContact CD1-CD2 3.94Å; L111-F114 HydrophobicContact CD1-CE2 4.48Å; F114-S141 VanDerWaalsContact CA-O 3.32Å; F114-S141 WeakPolarHBondContact CA-O 3.42Å; F114-K142 HydrophobicContact CD1-CB 4.12Å; F114-K142 HydrophobicContact CD1-CG 4.22Å; F114-K142 HydrophobicContact CE1-CB 4.02Å; F114-K142 HydrophobicContact CE1-CD 4.1Å; F114-K142 HydrophobicContact CE1-CG 3.77Å; F114-K142 HydrophobicContact CZ-CG 4.48Å; F114-F164 AromaticContact CD1-CE2 3.86Å; F114-F164 HydrophobicContact CD1-CE2 3.86Å; F114-F164 AromaticContact CD1-CZ 3.53Å; F114-F164 HydrophobicContact CD1-CZ 3.53Å; F114-F164 HydrophobicContact CE1-CE2 4.08Å; F114-F164 AromaticContact CE1-CZ 3.72Å; F114-F164 HydrophobicContact CE1-CZ 3.72Å; F114-L171 WeakPolarHBondContact CZ-O 3.13Å; F114-F173 HydrophobicContact CD1-CD2 4.06Å; F114-F173 AromaticContact CD2-CD2 3.98Å; F114-F173 HydrophobicContact CD2-CD2 3.98Å; F114-F173 HydrophobicContact CD2-CE2 4.36Å; F114-F173 HydrophobicContact CE1-CB 4.3Å; F114-F173 HydrophobicContact CE1-CD2 4.01Å; F114-F173 AromaticContact CE2-CD2 3.94Å; F114-F173 HydrophobicContact CE2-CD2 3.94Å; F114-F173 HydrophobicContact CG-CD2 4.04Å; F114-F173 HydrophobicContact CG-CE2 4.38Å; F114-F173 HydrophobicContact CZ-CB 4.14Å; F114-F173 AromaticContact CZ-CD2 3.95Å; F114-F173 HydrophobicContact CZ-CD2 3.95Å; F114-L182 HydrophobicContact CB-CD2 3.36Å; F114-L182 HydrophobicContact CG-CD2 4.28Å; F114-K183 WeakPolarHBondContact O-CB 3.4Å; F114-K183 PolarHBondContact O-N 3.18Å
115	A	83.4	Confident	67.8	Low	13 Å²	13	77.6 Å²	77.6	11%	0.107	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.1	175.8	0	0	0	0	0	111.2	V140 S141 K183	A115-V140 CarbonylContact O-C 3.5Å; A115-V140 WeakPolarHBondContact O-CA 3.43Å; A115-S141 WeakPolarHBondContact CB-OG 3.43Å; A115-S141 PolarHBondContact N-O 2.6Å; A115-S141 PolarHBondContact N-OG 3Å; A115-S141 PolarHBondContact O-N 3.35Å; A115-K183 CarbonylContact C-O 3.59Å; A115-K183 WeakPolarHBondContact CA-O 3.18Å; A115-K183 HydrophobicContact CB-CB 4.2Å; A115-K183 WeakPolarHBondContact CB-O 3.35Å
116	V	85.8	Confident	70.7	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.1	173.4	65.7	0	0	0	0	109.2	I138 R139 V140 L182 K183 G184 F185 L188 L196	V116-I138 HydrophobicContact CG2-CG2 3.61Å; V116-R139 WeakPolarHBondContact CA-O 3.31Å; V116-V140 HydrophobicContact CG2-CG2 4.1Å; V116-L182 HydrophobicContact CB-CB 4.32Å; V116-L182 HydrophobicContact CB-CD1 4.22Å; V116-L182 HydrophobicContact CG1-CB 3.82Å; V116-L182 HydrophobicContact CG1-CD1 4.31Å; V116-K183 PolarHBondContact N-O 2.89Å; V116-G184 CarbonylContact O-C 3.58Å; V116-F185 HydrophobicContact CG1-CB 4.04Å; V116-L188 HydrophobicContact CG1-CD1 3.93Å; V116-L188 HydrophobicContact CG2-CD1 3.78Å; V116-L196 HydrophobicContact CB-CD2 4.47Å; V116-L196 HydrophobicContact CG1-CD2 4.43Å; V116-L196 HydrophobicContact CG2-CD2 3.95Å
117	E	87.8	Confident	73.2	Confident	48 Å²	48	67.6 Å²	67.6	22%	0.224	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166	173.8	64.3	175.4	-171.6	0	0	110.9	K120 R139 W158	E117-K120 WeakPolarHBondContact OE2-CE 3.33Å; E117-K120 IonicContact OE2-NZ 2.74Å; E117-K120 PolarHBondContact OE2-NZ 2.76Å; E117-R139 HydrophobicContact CG-CG 4.39Å; E117-R139 PolarHBondContact N-O 3.27Å; E117-R139 WeakPolarHBondContact O-CG 3.41Å; E117-R139 PolarHBondContact O-N 3.49Å; E117-R139 IonicContact OE1-CZ 2.74Å; E117-R139 IonicContact OE1-NE 2.75Å; E117-R139 PolarHBondContact OE1-NE 2.97Å; E117-R139 IonicContact OE1-NH2 2.61Å; E117-R139 PolarHBondContact OE1-NH2 2.85Å; E117-W158 HydrophobicContact CG-CH2 3.55Å; E117-W158 HydrophobicContact CG-CZ2 4.34Å; E117-W158 HydrophobicContact CG-CZ3 3.81Å; E117-W158 WeakPolarHBondContact OE1-CH2 3.42Å; E117-W158 VanDerWaalsContact OE1-CZ2 3.3Å; E117-W158 WeakPolarHBondContact OE1-CZ2 3.3Å
118	Y	86.3	Confident	75.4	Confident	49 Å²	49	65.2 Å²	65.2	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.5	163.7	-64.1	-70.6	0	0	0	110	K120 D136 I138 L188 R189 D192	Y118-K120 PolarHBondContact O-N 3.23Å; Y118-K120 VanDerWaalsContact O-N 3.12Å; Y118-D136 VanDerWaalsContact CD1-O 3.24Å; Y118-D136 WeakPolarHBondContact CD1-O 3.49Å; Y118-I138 HydrophobicContact CD1-CG1 4Å; Y118-I138 HydrophobicContact CE1-CD1 4.48Å; Y118-I138 HydrophobicContact CE1-CG1 3.68Å; Y118-L188 HydrophobicContact CD2-CD2 3.97Å; Y118-L188 HydrophobicContact CE1-CD2 4.28Å; Y118-L188 HydrophobicContact CE2-CB 4.48Å; Y118-L188 HydrophobicContact CE2-CD2 3.64Å; Y118-L188 HydrophobicContact CG-CD2 4.42Å; Y118-R189 WeakPolarHBondContact OH-CB 3.45Å; Y118-R189 WeakPolarHBondContact OH-CG 3.34Å; Y118-R189 PolarHBondContact OH-N 3.19Å; Y118-D192 WeakPolarHBondContact CE1-OD2 3.32Å; Y118-D192 PolarHBondContact OH-OD2 3.18Å
119	A	83.6	Confident	77.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.308	C	S	.	.			trans	-62.6	115.8	177.5	0	0	0	0	0	110.6	S121 I133 E134 K135 D136 Q137 R139	A119-S121 PolarHBondContact O-N 2.87Å; A119-I133 HydrophobicContact CB-CG2 3.89Å; A119-E134 WeakPolarHBondContact CB-O 3.49Å; A119-K135 CarbonylContact O-C 3.58Å; A119-K135 VanDerWaalsContact O-CA 3.31Å; A119-K135 WeakPolarHBondContact O-CA 3.43Å; A119-D136 PolarHBondContact O-N 2.85Å; A119-Q137 WeakPolarHBondContact CB-O 3.2Å; A119-Q137 PolarHBondContact N-O 2.82Å; A119-R139 HydrophobicContact CB-CG 4.38Å
120	K	83.6	Confident	78.8	Confident	149 Å²	149	59.6 Å²	59.6	65%	0.648	30%	0.298	S	S	*	.	S	Bend	trans	-69.5	-17.2	-177.7	-62.5	172.3	-175.6	155.6	0	113.8	E117 Y118	E117-K120 WeakPolarHBondContact OE2-CE 3.33Å; E117-K120 IonicContact OE2-NZ 2.74Å; E117-K120 PolarHBondContact OE2-NZ 2.76Å; Y118-K120 PolarHBondContact O-N 3.23Å; Y118-K120 VanDerWaalsContact O-N 3.12Å
121	S	81.5	Confident	80.1	Confident	46 Å²	46	61.4 Å²	61.4	32%	0.322	30%	0.3	S	S	.	.	S	Bend	trans	-162.8	164.6	178.2	67.9	0	0	0	0	111.3	A119 R123	A119-S121 PolarHBondContact O-N 2.87Å; S121-R123 PolarHBondContact O-N 2.86Å
122	N	78	Confident	80.9	Confident	94 Å²	94	67.3 Å²	67.3	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	14.6	179	-47.6	-6.4	0	0	0	113.7	K135	N122-K135 WeakPolarHBondContact OD1-CA 3.48Å; N122-K135 WeakPolarHBondContact OD1-CB 3.12Å; N122-K135 PolarHBondContact OD1-N 3.44Å
123	R	73.1	Confident	82	Confident	226 Å²	226	63.3 Å²	63.3	85%	0.853	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.6	-174.8	-64.2	-172.5	179.5	-147.2	1.7	113.6	S121	S121-R123 PolarHBondContact O-N 2.86Å
124	S	77.9	Confident	82.7	Confident	14 Å²	14	67.9 Å²	67.9	10%	0.098	32%	0.323	C	S	.	.			trans	-83.8	133	177.6	44.9	0	0	0	0	111.6	I133 R139	S124-I133 PolarHBondContact O-N 3.26Å; S124-R139 PolarHBondContact OG-NH1 3.47Å
125	T	85.9	Confident	82.7	Confident	63 Å²	63	73.1 Å²	73.1	39%	0.387	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-106.6	131.4	174.5	-50.1	0	0	0	0	109.6	K127 E130	T125-K127 PolarHBondContact O-N 2.96Å; T125-E130 VanDerWaalsContact CG2-C 3.41Å; T125-E130 WeakPolarHBondContact CG2-O 3.3Å
126	C	85.4	Confident	82.6	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.367	C	S	.	.			trans	-64.5	125.9	175.8	175.5	0	0	0	0	110.3	G128 E130 Q131 I133 W158 H160	C126-G128 VanDerWaalsContact C-N 3.26Å; C126-G128 PolarHBondContact O-N 3.06Å; C126-G128 PolarHBondContact SG-N 2.84Å; C126-G128 VanDerWaalsContact SG-N 3.36Å; C126-E130 WeakPolarHBondContact O-CA 3.44Å; C126-E130 PolarHBondContact O-N 2.84Å; C126-Q131 WeakPolarHBondContact CB-O 3.48Å; C126-Q131 PolarHBondContact N-O 3.15Å; C126-I133 HydrophobicContact CB-CD1 4.21Å; C126-I133 HydrophobicContact CB-CG1 4Å; C126-W158 CarbonylContact C-O 3.5Å; C126-W158 WeakPolarHBondContact CA-O 3.45Å; C126-H160 WeakPolarHBondContact CB-ND1 3.26Å; C126-H160 PolarHBondContact SG-N 3.08Å; C126-H160 PolarHBondContact SG-ND1 3.33Å
127	K	82.6	Confident	82.6	Confident	115 Å²	115	81 Å²	81	50%	0.5	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.6	178.2	-69.7	-62	-174.4	-179.5	0	114.9	T125 R157 W158 Y159	T125-K127 PolarHBondContact O-N 2.96Å; K127-R157 HydrophobicContact CG-CB 4.17Å; K127-W158 PolarHBondContact N-O 3.42Å; K127-Y159 HydrophobicContact CB-CD1 4.14Å; K127-Y159 HydrophobicContact CB-CE1 3.56Å; K127-Y159 HydrophobicContact CB-CE2 4.31Å
128	G	77.3	Confident	82.5	Confident	12 Å²	12	79.9 Å²	79.9	12%	0.124	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-24.6	176.3	0	0	0	0	0	114.8	C126 R167	C126-G128 VanDerWaalsContact C-N 3.26Å; C126-G128 PolarHBondContact O-N 3.06Å; C126-G128 PolarHBondContact SG-N 2.84Å; C126-G128 VanDerWaalsContact SG-N 3.36Å; G128-R167 PolarHBondContact O-NH2 3.07Å
129	C	80.6	Confident	82.5	Confident	43 Å²	43	78.5 Å²	78.5	29%	0.291	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	4	-179	66.1	0	0	0	0	113.9	Q131 H160	C129-Q131 PolarHBondContact O-N 2.92Å; C129-H160 VanDerWaalsContact SG-CE1 3.59Å; C129-H160 PolarHBondContact SG-ND1 2.99Å
130	E	83.1	Confident	82.6	Confident	127 Å²	127	78.6 Å²	78.6	59%	0.593	37%	0.374	S	S	*	.			trans	58.2	10.2	178.6	-52.6	-164.4	156.1	0	0	116	T125 C126	T125-E130 VanDerWaalsContact CG2-C 3.41Å; T125-E130 WeakPolarHBondContact CG2-O 3.3Å; C126-E130 WeakPolarHBondContact O-CA 3.44Å; C126-E130 PolarHBondContact O-N 2.84Å
131	Q	84.7	Confident	82.7	Confident	127 Å²	127	71.5 Å²	71.5	59%	0.593	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-86.4	152.7	175.7	-68.3	169.8	-1.2	0	0	111.7	C126 C129	C126-Q131 WeakPolarHBondContact CB-O 3.48Å; C126-Q131 PolarHBondContact N-O 3.15Å; C129-Q131 PolarHBondContact O-N 2.92Å
132	K	85.9	Confident	82.7	Confident	153 Å²	153	70.5 Å²	70.5	67%	0.665	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-66.4	137.6	174.4	-68.7	-177.1	-179.8	174.3	0	110.3
133	I	86	Confident	82.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-89.8	120.5	170.5	-50.9	179.7	0	0	0	106.7	A119 S124 C126 Q137 R139 W158	A119-I133 HydrophobicContact CB-CG2 3.89Å; S124-I133 PolarHBondContact O-N 3.26Å; C126-I133 HydrophobicContact CB-CD1 4.21Å; C126-I133 HydrophobicContact CB-CG1 4Å; I133-Q137 HydrophobicContact CG2-CB 4.12Å; I133-Q137 HydrophobicContact CG2-CG 4.48Å; I133-R139 HydrophobicContact CD1-CB 3.85Å; I133-R139 HydrophobicContact CG2-CB 4.12Å; I133-W158 HydrophobicContact CD1-CB 3.84Å
134	E	84.2	Confident	82.7	Confident	136 Å²	136	59 Å²	59	64%	0.636	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-70.8	151.2	-177.1	-66.1	-177.8	172.8	0	0	111.5	A119 Q137	A119-E134 WeakPolarHBondContact CB-O 3.49Å; E134-Q137 HydrophobicContact CB-CB 4.49Å; E134-Q137 WeakPolarHBondContact O-CB 3.49Å; E134-Q137 PolarHBondContact O-N 3.07Å; E134-Q137 VanDerWaalsContact O-N 3.14Å
135	K	81.1	Confident	82	Confident	119 Å²	119	59 Å²	59	52%	0.517	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	141.6	174.6	-179.1	-172.6	173.2	-163.9	0	109.9	A119 N122 Q137	A119-K135 CarbonylContact O-C 3.58Å; A119-K135 VanDerWaalsContact O-CA 3.31Å; A119-K135 WeakPolarHBondContact O-CA 3.43Å; N122-K135 WeakPolarHBondContact OD1-CA 3.48Å; N122-K135 WeakPolarHBondContact OD1-CB 3.12Å; N122-K135 PolarHBondContact OD1-N 3.44Å; K135-Q137 PolarHBondContact O-N 3.43Å
136	D	80.8	Confident	81.2	Confident	103 Å²	103	57.3 Å²	57.3	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	6	-178.1	-52.2	-41.9	0	0	0	114.6	Y118 A119	Y118-D136 VanDerWaalsContact CD1-O 3.24Å; Y118-D136 WeakPolarHBondContact CD1-O 3.49Å; A119-D136 PolarHBondContact O-N 2.85Å
137	Q	85.3	Confident	79.9	Confident	78 Å²	78	61.9 Å²	61.9	36%	0.364	31%	0.305	S	S	.	.			trans	-81.7	141.1	169.2	-164.2	-178.5	21.8	0	0	111.3	A119 I133 E134 K135 R139	A119-Q137 WeakPolarHBondContact CB-O 3.2Å; A119-Q137 PolarHBondContact N-O 2.82Å; I133-Q137 HydrophobicContact CG2-CB 4.12Å; I133-Q137 HydrophobicContact CG2-CG 4.48Å; E134-Q137 HydrophobicContact CB-CB 4.49Å; E134-Q137 WeakPolarHBondContact O-CB 3.49Å; E134-Q137 PolarHBondContact O-N 3.07Å; E134-Q137 VanDerWaalsContact O-N 3.14Å; K135-Q137 PolarHBondContact O-N 3.43Å; Q137-R139 PolarHBondContact O-N 3.42Å
138	I	85	Confident	78.7	Confident	24 Å²	24	64.5 Å²	64.5	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.5	176	-53.2	169.2	0	0	0	109.9	V116 Y118 T161 D192 L196	V116-I138 HydrophobicContact CG2-CG2 3.61Å; Y118-I138 HydrophobicContact CD1-CG1 4Å; Y118-I138 HydrophobicContact CE1-CD1 4.48Å; Y118-I138 HydrophobicContact CE1-CG1 3.68Å; I138-T161 HydrophobicContact CB-CG2 3.9Å; I138-T161 HydrophobicContact CG2-CG2 3.6Å; I138-D192 HydrophobicContact CD1-CB 3.58Å; I138-L196 HydrophobicContact CG2-CD1 4.01Å
139	R	86.3	Confident	78	Confident	20 Å²	20	69.3 Å²	69.3	8%	0.075	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.2	173.2	55.8	177.3	-167	-160.2	5.4	111.1	V116 E117 A119 S124 I133 Q137 W158 Y159	V116-R139 WeakPolarHBondContact CA-O 3.31Å; E117-R139 HydrophobicContact CG-CG 4.39Å; E117-R139 PolarHBondContact N-O 3.27Å; E117-R139 WeakPolarHBondContact O-CG 3.41Å; E117-R139 PolarHBondContact O-N 3.49Å; E117-R139 IonicContact OE1-CZ 2.74Å; E117-R139 IonicContact OE1-NE 2.75Å; E117-R139 PolarHBondContact OE1-NE 2.97Å; E117-R139 IonicContact OE1-NH2 2.61Å; E117-R139 PolarHBondContact OE1-NH2 2.85Å; A119-R139 HydrophobicContact CB-CG 4.38Å; S124-R139 PolarHBondContact OG-NH1 3.47Å; I133-R139 HydrophobicContact CD1-CB 3.85Å; I133-R139 HydrophobicContact CG2-CB 4.12Å; Q137-R139 PolarHBondContact O-N 3.42Å; R139-W158 HydrophobicContact CB-CE3 3.87Å; R139-W158 VanDerWaalsContact CD-CD2 3.5Å; R139-W158 VanDerWaalsContact CD-CE3 3.41Å; R139-W158 HydrophobicContact CG-CD2 4.06Å; R139-W158 HydrophobicContact CG-CE3 3.41Å; R139-W158 VanDerWaalsContact CG-CE3 3.41Å; R139-W158 HydrophobicContact CG-CZ3 3.83Å; R139-Y159 WeakPolarHBondContact CA-O 3.34Å
140	V	87.2	Confident	77	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.2	176.8	-171.7	0	0	0	0	107.7	A115 V116 Y159 T161 F164 L182	A115-V140 CarbonylContact O-C 3.5Å; A115-V140 WeakPolarHBondContact O-CA 3.43Å; V116-V140 HydrophobicContact CG2-CG2 4.1Å; V140-Y159 PolarHBondContact N-O 2.94Å; V140-Y159 PolarHBondContact O-N 3.34Å; V140-T161 HydrophobicContact CG2-CG2 4.1Å; V140-F164 HydrophobicContact CB-CB 4.27Å; V140-F164 HydrophobicContact CB-CD1 4.43Å; V140-F164 HydrophobicContact CB-CD2 3.94Å; V140-F164 HydrophobicContact CB-CE2 4.42Å; V140-F164 HydrophobicContact CB-CG 3.96Å; V140-F164 HydrophobicContact CG1-CD1 4.01Å; V140-F164 HydrophobicContact CG1-CD2 3.69Å; V140-F164 HydrophobicContact CG1-CE1 4Å; V140-F164 HydrophobicContact CG1-CE2 3.68Å; V140-F164 HydrophobicContact CG1-CG 3.87Å; V140-F164 HydrophobicContact CG1-CZ 3.84Å; V140-L182 HydrophobicContact CG1-CD1 4.28Å; V140-L182 HydrophobicContact CG1-CD2 4.38Å
141	S	84.4	Confident	75.9	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	149.1	173.5	66.3	0	0	0	0	112.2	F114 A115 D156 R157 W158	F114-S141 VanDerWaalsContact CA-O 3.32Å; F114-S141 WeakPolarHBondContact CA-O 3.42Å; A115-S141 WeakPolarHBondContact CB-OG 3.43Å; A115-S141 PolarHBondContact N-O 2.6Å; A115-S141 PolarHBondContact N-OG 3Å; A115-S141 PolarHBondContact O-N 3.35Å; S141-D156 WeakPolarHBondContact CB-OD1 3.22Å; S141-D156 PolarHBondContact OG-OD1 3.22Å; S141-R157 WeakPolarHBondContact CA-O 3.47Å; S141-W158 VanDerWaalsContact CB-CE3 3.46Å
142	K	82.3	Confident	74.9	Confident	26 Å²	26	64.3 Å²	64.3	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	155	-178.2	-178.4	176.8	170.6	0	108.2	D113 F114 T144 R157 Y159 L171	D113-K142 CarbonylContact O-C 3.49Å; D113-K142 WeakPolarHBondContact O-CA 3.43Å; F114-K142 HydrophobicContact CD1-CB 4.12Å; F114-K142 HydrophobicContact CD1-CG 4.22Å; F114-K142 HydrophobicContact CE1-CB 4.02Å; F114-K142 HydrophobicContact CE1-CD 4.1Å; F114-K142 HydrophobicContact CE1-CG 3.77Å; F114-K142 HydrophobicContact CZ-CG 4.48Å; K142-T144 HydrophobicContact CD-CG2 3.99Å; K142-T144 HydrophobicContact CG-CG2 4Å; K142-T144 PolarHBondContact O-N 3.42Å; K142-R157 PolarHBondContact N-O 3.01Å; K142-R157 PolarHBondContact O-N 2.87Å; K142-Y159 HydrophobicContact CB-CE2 4.4Å; K142-L171 HydrophobicContact CB-CD2 4.47Å; K142-L171 HydrophobicContact CD-CB 4.06Å; K142-L171 HydrophobicContact CD-CD2 3.76Å; K142-L171 WeakPolarHBondContact CD-O 3.43Å; K142-L171 VanDerWaalsContact CE-O 3.22Å; K142-L171 WeakPolarHBondContact CE-O 3.34Å; K142-L171 PolarHBondContact NZ-O 3.37Å
143	K	78.9	Confident	73.8	Confident	44 Å²	44	57.1 Å²	57.1	19%	0.191	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.4	171	-75.1	-175.6	-170.4	153.6	0	110	N112 D113 L154 I155 D156	N112-K143 PolarHBondContact O-NZ 2.9Å; D113-K143 PolarHBondContact O-N 3.5Å; K143-L154 HydrophobicContact CB-CB 4.11Å; K143-L154 HydrophobicContact CB-CD2 4.04Å; K143-L154 HydrophobicContact CB-CG 4.47Å; K143-L154 HydrophobicContact CD-CB 4.27Å; K143-I155 WeakPolarHBondContact CA-O 3.32Å; K143-D156 VanDerWaalsContact CG-OD1 3.27Å; K143-D156 WeakPolarHBondContact CG-OD1 3.31Å
144	T	71.3	Confident	73	Confident	33 Å²	33	58.8 Å²	58.8	20%	0.202	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.3	176	51.1	0	0	0	0	109.6	K142 I155 R157	K142-T144 HydrophobicContact CD-CG2 3.99Å; K142-T144 HydrophobicContact CG-CG2 4Å; K142-T144 PolarHBondContact O-N 3.42Å; T144-I155 PolarHBondContact N-O 2.83Å; T144-I155 VanDerWaalsContact O-CG1 3.23Å; T144-I155 WeakPolarHBondContact O-CG1 3.37Å; T144-I155 PolarHBondContact O-N 3.34Å; T144-R157 WeakPolarHBondContact OG1-CD 3.48Å; T144-R157 WeakPolarHBondContact OG1-CG 3.29Å; T144-R157 PolarHBondContact OG1-NE 3.16Å
145	V	64.8	Low	72.5	Confident	14 Å²	14	54.7 Å²	54.7	9%	0.085	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.6	168.8	-179.2	0	0	0	0	107.4	L9 A62 P147 P150 L154	L9-V145 HydrophobicContact CD2-CG1 4.29Å; A62-V145 HydrophobicContact CB-CG2 4.22Å; V145-P147 WeakPolarHBondContact O-CD 3.24Å; V145-P150 HydrophobicContact CG1-CB 4Å; V145-L154 HydrophobicContact CG2-CD2 4.12Å
146	D	67.4	Low	72.4	Confident	29 Å²	29	52 Å²	52	16%	0.155	26%	0.263	C	S	.	.			trans	-74.6	121.9	174.8	-161.3	-61.9	0	0	0	110	E148 K149 P150 I155 R157	D146-E148 PolarHBondContact O-N 2.67Å; D146-E148 PolarHBondContact OD1-N 2.81Å; D146-K149 HydrophobicContact CB-CB 4.24Å; D146-K149 CarbonylContact O-C 3.6Å; D146-K149 PolarHBondContact O-N 2.85Å; D146-K149 PolarHBondContact OD1-N 3.48Å; D146-P150 VanDerWaalsContact O-CA 3.29Å; D146-P150 WeakPolarHBondContact O-CA 3.46Å; D146-P150 WeakPolarHBondContact O-CD 3.37Å; D146-I155 HydrophobicContact CB-CD1 3.96Å; D146-R157 IonicContact OD2-CZ 3.66Å; D146-R157 IonicContact OD2-NH2 3.27Å; D146-R157 PolarHBondContact OD2-NH2 3.37Å
147	P	58.6	Low	72.5	Confident	95 Å²	95	50.3 Å²	50.3	62%	0.617	25%	0.249	S	C	*	.	S	Bend	trans	-61.2	-29.4	179.7	-24.1	35	0	0	0	114.1	V145	V145-P147 WeakPolarHBondContact O-CD 3.24Å
148	E	57.4	Low	72.6	Confident	170 Å²	170	48.5 Å²	48.5	79%	0.794	24%	0.239	S	C	*	.	S	Bend	trans	-87.3	-23.7	178.9	-63.1	-174.1	162.4	0	0	112.2	D146	D146-E148 PolarHBondContact O-N 2.67Å; D146-E148 PolarHBondContact OD1-N 2.81Å
149	K	62.5	Low	72.7	Confident	114 Å²	114	48.3 Å²	48.3	50%	0.496	24%	0.237	S	C	.	.			trans	-129.4	56.6	178.3	-62.3	-179.6	-176.2	172.6	0	112.8	D146 Q151 L152	D146-K149 HydrophobicContact CB-CB 4.24Å; D146-K149 CarbonylContact O-C 3.6Å; D146-K149 PolarHBondContact O-N 2.85Å; D146-K149 PolarHBondContact OD1-N 3.48Å; K149-Q151 VanDerWaalsContact CA-OE1 3.29Å; K149-Q151 PolarHBondContact O-N 3.48Å; K149-L152 HydrophobicContact CB-CD1 3.78Å; K149-L152 HydrophobicContact CB-CG 4.22Å; K149-L152 HydrophobicContact CD-CD1 4.09Å; K149-L152 PolarHBondContact O-N 2.81Å
150	P	59	Low	72.7	Confident	9 Å²	9	48.4 Å²	48.4	6%	0.058	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-63.6	-20	-174.6	24.4	-33.4	0	0	0	113.4	L9 I38 M39 V40 V145 D146 L152 G153	L9-P150 HydrophobicContact CD1-CB 4.05Å; I38-P150 HydrophobicContact CG2-CB 3.74Å; M39-P150 WeakPolarHBondContact O-CG 3.44Å; V40-P150 HydrophobicContact CB-CG 4.41Å; V40-P150 HydrophobicContact CG1-CG 4.41Å; V40-P150 HydrophobicContact CG2-CB 4.33Å; V40-P150 HydrophobicContact CG2-CG 4.11Å; V145-P150 HydrophobicContact CG1-CB 4Å; D146-P150 VanDerWaalsContact O-CA 3.29Å; D146-P150 WeakPolarHBondContact O-CA 3.46Å; D146-P150 WeakPolarHBondContact O-CD 3.37Å; P150-L152 PolarHBondContact O-N 3.12Å; P150-G153 PolarHBondContact O-N 3.4Å; P150-G153 VanDerWaalsContact O-N 3.1Å
151	Q	61.7	Low	72.5	Confident	92 Å²	92	49.5 Å²	49.5	43%	0.43	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60.5	-25.3	173.6	65.6	-82.7	16.5	0	0	114.5	V40 K149 G153	V40-Q151 HydrophobicContact CG1-CB 3.92Å; V40-Q151 HydrophobicContact CG2-CB 4.38Å; K149-Q151 VanDerWaalsContact CA-OE1 3.29Å; K149-Q151 PolarHBondContact O-N 3.48Å; Q151-G153 PolarHBondContact O-N 2.92Å
152	L	62	Low	72.3	Confident	91 Å²	91	52.2 Å²	52.2	48%	0.476	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19.8	178	-65.4	173.7	0	0	0	111.5	K149 P150 I155	K149-L152 HydrophobicContact CB-CD1 3.78Å; K149-L152 HydrophobicContact CB-CG 4.22Å; K149-L152 HydrophobicContact CD-CD1 4.09Å; K149-L152 PolarHBondContact O-N 2.81Å; P150-L152 PolarHBondContact O-N 3.12Å; L152-I155 HydrophobicContact CB-CG2 3.94Å
153	G	63.2	Low	72.4	Confident	1 Å²	1	52 Å²	52	1%	0.01	27%	0.269	C	S	.	.			trans	69.2	-149.1	-173	0	0	0	0	0	111.6	R61 P150 Q151 I155	R61-G153 CarbonylContact O-C 3.58Å; R61-G153 VanDerWaalsContact O-CA 3.23Å; R61-G153 WeakPolarHBondContact O-CA 3.39Å; P150-G153 PolarHBondContact O-N 3.4Å; P150-G153 VanDerWaalsContact O-N 3.1Å; Q151-G153 PolarHBondContact O-N 2.92Å; G153-I155 PolarHBondContact O-N 2.92Å
154	L	70.1	Confident	72.5	Confident	35 Å²	35	49.9 Å²	49.9	18%	0.183	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	113.3	177.1	-71.4	169.4	0	0	0	111.4	R61 A63 K143 V145	R61-L154 PolarHBondContact O-N 3.5Å; A63-L154 HydrophobicContact CB-CD2 4.21Å; K143-L154 HydrophobicContact CB-CB 4.11Å; K143-L154 HydrophobicContact CB-CD2 4.04Å; K143-L154 HydrophobicContact CB-CG 4.47Å; K143-L154 HydrophobicContact CD-CB 4.27Å; V145-L154 HydrophobicContact CG2-CD2 4.12Å
155	I	72.6	Confident	73	Confident	50 Å²	50	50.4 Å²	50.4	26%	0.256	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.9	172.3	56.3	164.2	0	0	0	110.8	K143 T144 D146 L152 G153 R157	K143-I155 WeakPolarHBondContact CA-O 3.32Å; T144-I155 PolarHBondContact N-O 2.83Å; T144-I155 VanDerWaalsContact O-CG1 3.23Å; T144-I155 WeakPolarHBondContact O-CG1 3.37Å; T144-I155 PolarHBondContact O-N 3.34Å; D146-I155 HydrophobicContact CB-CD1 3.96Å; L152-I155 HydrophobicContact CB-CG2 3.94Å; G153-I155 PolarHBondContact O-N 2.92Å; I155-R157 PolarHBondContact O-N 3.47Å
156	D	80	Confident	73.7	Confident	63 Å²	63	54 Å²	54	34%	0.337	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	109	174.8	-72.8	-59.5	0	0	0	110.3	S141 K143 W158	S141-D156 WeakPolarHBondContact CB-OD1 3.22Å; S141-D156 PolarHBondContact OG-OD1 3.22Å; K143-D156 VanDerWaalsContact CG-OD1 3.27Å; K143-D156 WeakPolarHBondContact CG-OD1 3.31Å; D156-W158 HydrophobicContact CB-CH2 4.47Å; D156-W158 HydrophobicContact CB-CZ2 3.74Å
157	R	82.2	Confident	74	Confident	68 Å²	68	56.6 Å²	56.6	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.2	168.7	-70.8	-164.7	173.9	-167.8	-3.8	108.6	K127 S141 K142 T144 D146 I155 Y159	K127-R157 HydrophobicContact CG-CB 4.17Å; S141-R157 WeakPolarHBondContact CA-O 3.47Å; K142-R157 PolarHBondContact N-O 3.01Å; K142-R157 PolarHBondContact O-N 2.87Å; T144-R157 WeakPolarHBondContact OG1-CD 3.48Å; T144-R157 WeakPolarHBondContact OG1-CG 3.29Å; T144-R157 PolarHBondContact OG1-NE 3.16Å; D146-R157 IonicContact OD2-CZ 3.66Å; D146-R157 IonicContact OD2-NH2 3.27Å; D146-R157 PolarHBondContact OD2-NH2 3.37Å; I155-R157 PolarHBondContact O-N 3.47Å; R157-Y159 HydrophobicContact CB-CE2 4.05Å; R157-Y159 WeakPolarHBondContact O-CD2 3.23Å; R157-Y159 WeakPolarHBondContact O-CE2 3.27Å
158	W	87.3	Confident	74.8	Confident	40 Å²	40	54.9 Å²	54.9	15%	0.152	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	140.7	-174.3	-62	102.9	0	0	0	112.5	E117 C126 K127 I133 R139 S141 D156	E117-W158 HydrophobicContact CG-CH2 3.55Å; E117-W158 HydrophobicContact CG-CZ2 4.34Å; E117-W158 HydrophobicContact CG-CZ3 3.81Å; E117-W158 WeakPolarHBondContact OE1-CH2 3.42Å; E117-W158 VanDerWaalsContact OE1-CZ2 3.3Å; E117-W158 WeakPolarHBondContact OE1-CZ2 3.3Å; C126-W158 CarbonylContact C-O 3.5Å; C126-W158 WeakPolarHBondContact CA-O 3.45Å; K127-W158 PolarHBondContact N-O 3.42Å; I133-W158 HydrophobicContact CD1-CB 3.84Å; R139-W158 HydrophobicContact CB-CE3 3.87Å; R139-W158 VanDerWaalsContact CD-CD2 3.5Å; R139-W158 VanDerWaalsContact CD-CE3 3.41Å; R139-W158 HydrophobicContact CG-CD2 4.06Å; R139-W158 HydrophobicContact CG-CE3 3.41Å; R139-W158 VanDerWaalsContact CG-CE3 3.41Å; R139-W158 HydrophobicContact CG-CZ3 3.83Å; S141-W158 VanDerWaalsContact CB-CE3 3.46Å; D156-W158 HydrophobicContact CB-CH2 4.47Å; D156-W158 HydrophobicContact CB-CZ2 3.74Å
159	Y	87.1	Confident	75.2	Confident	19 Å²	19	55.7 Å²	55.7	8%	0.075	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.4	176.1	-60.7	-97.2	0	0	0	109.4	K127 R139 V140 K142 R157 F164 L171	K127-Y159 HydrophobicContact CB-CD1 4.14Å; K127-Y159 HydrophobicContact CB-CE1 3.56Å; K127-Y159 HydrophobicContact CB-CE2 4.31Å; R139-Y159 WeakPolarHBondContact CA-O 3.34Å; V140-Y159 PolarHBondContact N-O 2.94Å; V140-Y159 PolarHBondContact O-N 3.34Å; K142-Y159 HydrophobicContact CB-CE2 4.4Å; R157-Y159 HydrophobicContact CB-CE2 4.05Å; R157-Y159 WeakPolarHBondContact O-CD2 3.23Å; R157-Y159 WeakPolarHBondContact O-CE2 3.27Å; Y159-F164 HydrophobicContact CD2-CD2 4.09Å; Y159-F164 HydrophobicContact CG-CD2 4.31Å; Y159-L171 HydrophobicContact CD1-CD1 4.43Å; Y159-L171 HydrophobicContact CD2-CD1 4.35Å; Y159-L171 HydrophobicContact CE1-CD1 4.3Å; Y159-L171 HydrophobicContact CE1-CD2 4.29Å; Y159-L171 HydrophobicContact CE2-CD1 4.24Å; Y159-L171 HydrophobicContact CE2-CD2 4.03Å; Y159-L171 HydrophobicContact CG-CD1 4.47Å; Y159-L171 WeakPolarHBondContact OH-CD2 3.44Å
160	H	86.9	Confident	75.4	Confident	22 Å²	22	56.2 Å²	56.2	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	147.5	159.8	-64.6	126.2	0	0	0	109.2	C126 C129 A162 C163 F164	C126-H160 WeakPolarHBondContact CB-ND1 3.26Å; C126-H160 PolarHBondContact SG-N 3.08Å; C126-H160 PolarHBondContact SG-ND1 3.33Å; C129-H160 VanDerWaalsContact SG-CE1 3.59Å; C129-H160 PolarHBondContact SG-ND1 2.99Å; H160-A162 PolarHBondContact O-N 3.3Å; H160-C163 HydrophobicContact CB-CB 4.2Å; H160-C163 PolarHBondContact O-N 3.26Å; H160-F164 PolarHBondContact O-N 3.23Å
161	T	82.9	Confident	76	Confident	25 Å²	25	56.1 Å²	56.1	15%	0.153	28%	0.284	C	S	.	.	H	α-helix	trans	-52.3	-43.3	178	56.3	0	0	0	0	111.9	I138 V140 F164 V165 L196 R199	I138-T161 HydrophobicContact CB-CG2 3.9Å; I138-T161 HydrophobicContact CG2-CG2 3.6Å; V140-T161 HydrophobicContact CG2-CG2 4.1Å; T161-F164 PolarHBondContact O-N 3.32Å; T161-V165 WeakPolarHBondContact O-CB 3.41Å; T161-V165 WeakPolarHBondContact O-CG2 3.34Å; T161-V165 PolarHBondContact O-N 2.93Å; T161-L196 HydrophobicContact CG2-CD1 3.66Å; T161-R199 PolarHBondContact OG1-NH1 2.94Å
162	A	81.1	Confident	76.3	Confident	56 Å²	56	54.8 Å²	54.8	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-43	177.1	0	0	0	0	0	113.3	H160 F164 V165 S166	H160-A162 PolarHBondContact O-N 3.3Å; A162-F164 VanDerWaalsContact C-N 3.33Å; A162-F164 PolarHBondContact O-N 2.95Å; A162-V165 PolarHBondContact O-N 3.18Å; A162-S166 PolarHBondContact O-N 3.05Å; A162-S166 PolarHBondContact O-OG 3.22Å
163	C	82.7	Confident	76.6	Confident	22 Å²	22	50.8 Å²	50.8	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-31.9	178.7	-62.1	0	0	0	0	112.7	H160 S166 R167	H160-C163 HydrophobicContact CB-CB 4.2Å; H160-C163 PolarHBondContact O-N 3.26Å; C163-S166 PolarHBondContact O-OG 2.99Å; C163-R167 WeakPolarHBondContact O-CG 3.41Å
164	F	82.8	Confident	77	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-42.8	173	-171.6	-88.1	0	0	0	110.7	F114 V140 Y159 H160 T161 A162 S166 R167 R168 L171 F173 L200	F114-F164 AromaticContact CD1-CE2 3.86Å; F114-F164 HydrophobicContact CD1-CE2 3.86Å; F114-F164 AromaticContact CD1-CZ 3.53Å; F114-F164 HydrophobicContact CD1-CZ 3.53Å; F114-F164 HydrophobicContact CE1-CE2 4.08Å; F114-F164 AromaticContact CE1-CZ 3.72Å; F114-F164 HydrophobicContact CE1-CZ 3.72Å; V140-F164 HydrophobicContact CB-CB 4.27Å; V140-F164 HydrophobicContact CB-CD1 4.43Å; V140-F164 HydrophobicContact CB-CD2 3.94Å; V140-F164 HydrophobicContact CB-CE2 4.42Å; V140-F164 HydrophobicContact CB-CG 3.96Å; V140-F164 HydrophobicContact CG1-CD1 4.01Å; V140-F164 HydrophobicContact CG1-CD2 3.69Å; V140-F164 HydrophobicContact CG1-CE1 4Å; V140-F164 HydrophobicContact CG1-CE2 3.68Å; V140-F164 HydrophobicContact CG1-CG 3.87Å; V140-F164 HydrophobicContact CG1-CZ 3.84Å; Y159-F164 HydrophobicContact CD2-CD2 4.09Å; Y159-F164 HydrophobicContact CG-CD2 4.31Å; H160-F164 PolarHBondContact O-N 3.23Å; T161-F164 PolarHBondContact O-N 3.32Å; A162-F164 VanDerWaalsContact C-N 3.33Å; A162-F164 PolarHBondContact O-N 2.95Å; F164-S166 PolarHBondContact O-N 3.33Å; F164-R167 CarbonylContact O-C 3.55Å; F164-R167 PolarHBondContact O-N 3.33Å; F164-R168 PolarHBondContact O-N 3.04Å; F164-L171 HydrophobicContact CD2-CD1 3.44Å; F164-L171 VanDerWaalsContact CD2-CD1 3.44Å; F164-L171 HydrophobicContact CE2-CB 4.5Å; F164-L171 HydrophobicContact CE2-CD1 3.68Å; F164-L171 HydrophobicContact CG-CD1 4.05Å; F164-L171 HydrophobicContact CZ-CD1 4.45Å; F164-F173 HydrophobicContact CE1-CB 4.19Å; F164-F173 HydrophobicContact CE1-CD1 4.43Å; F164-F173 AromaticContact CE1-CD2 3.92Å; F164-F173 HydrophobicContact CE1-CD2 3.92Å; F164-F173 HydrophobicContact CE1-CE2 4.43Å; F164-F173 AromaticContact CE1-CG 3.91Å; F164-F173 HydrophobicContact CE1-CG 3.91Å; F164-F173 HydrophobicContact CZ-CB 4.19Å; F164-F173 AromaticContact CZ-CD2 3.87Å; F164-F173 HydrophobicContact CZ-CD2 3.87Å; F164-F173 HydrophobicContact CZ-CG 4.14Å; F164-L200 HydrophobicContact CD1-CD2 4.27Å; F164-L200 HydrophobicContact CE1-CD2 4.27Å
165	V	80.4	Confident	76.6	Confident	43 Å²	43	58.9 Å²	58.9	26%	0.261	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-41.9	179.6	164.8	0	0	0	0	112	T161 A162 R167 R168 R199 L200	T161-V165 WeakPolarHBondContact O-CB 3.41Å; T161-V165 WeakPolarHBondContact O-CG2 3.34Å; T161-V165 PolarHBondContact O-N 2.93Å; A162-V165 PolarHBondContact O-N 3.18Å; V165-R167 PolarHBondContact O-N 2.93Å; V165-R168 WeakPolarHBondContact O-CG 3.44Å; V165-R168 PolarHBondContact O-NE 3.18Å; V165-R199 HydrophobicContact CG2-CB 4.14Å; V165-L200 HydrophobicContact CG2-CD2 4.2Å; V165-L200 HydrophobicContact CG2-CG 4.25Å
166	S	78.9	Confident	76.1	Confident	91 Å²	91	61.8 Å²	61.8	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.3	178.4	59.7	0	0	0	0	113.7	A162 C163 F164	A162-S166 PolarHBondContact O-N 3.05Å; A162-S166 PolarHBondContact O-OG 3.22Å; C163-S166 PolarHBondContact O-OG 2.99Å; F164-S166 PolarHBondContact O-N 3.33Å
167	R	75.3	Confident	75.8	Confident	82 Å²	82	61.2 Å²	61.2	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	26.1	-173.9	-64.1	-178.4	-178.2	-147.2	3.7	112.5	G128 C163 F164 V165 E169 E170 L171	G128-R167 PolarHBondContact O-NH2 3.07Å; C163-R167 WeakPolarHBondContact O-CG 3.41Å; F164-R167 CarbonylContact O-C 3.55Å; F164-R167 PolarHBondContact O-N 3.33Å; V165-R167 PolarHBondContact O-N 2.93Å; R167-E169 VanDerWaalsContact C-N 3.31Å; R167-E169 PolarHBondContact O-N 3.19Å; R167-E170 HydrophobicContact CB-CB 4.36Å; R167-E170 WeakPolarHBondContact CD-OE2 3.47Å; R167-E170 IonicContact NH1-OE2 3.44Å; R167-E170 PolarHBondContact O-N 2.94Å; R167-L171 HydrophobicContact CB-CD1 4.1Å; R167-L171 HydrophobicContact CB-CG 4.2Å; R167-L171 VanDerWaalsContact O-CB 3.26Å; R167-L171 WeakPolarHBondContact O-CB 3.42Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 2.88Å
168	R	75.3	Confident	75.5	Confident	59 Å²	59	58.2 Å²	58.2	22%	0.223	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-43.8	-176.6	-76.3	173.7	-161.1	-169.3	6.8	113.3	F164 V165 L171 V172 F173 R199 L200	F164-R168 PolarHBondContact O-N 3.04Å; V165-R168 WeakPolarHBondContact O-CG 3.44Å; V165-R168 PolarHBondContact O-NE 3.18Å; R168-L171 CarbonylContact O-C 3.55Å; R168-L171 PolarHBondContact O-N 2.84Å; R168-V172 PolarHBondContact O-N 3.41Å; R168-F173 HydrophobicContact CB-CB 4.39Å; R168-F173 HydrophobicContact CG-CB 4.48Å; R168-F173 HydrophobicContact CG-CD1 4.38Å; R168-F173 PolarHBondContact O-N 3.25Å; R168-R199 PolarHBondContact NH2-O 2.81Å; R168-L200 HydrophobicContact CG-CD2 4.35Å; R168-L200 VanDerWaalsContact NE-CD2 3.31Å
169	E	64.9	Low	74.9	Confident	187 Å²	187	56.3 Å²	56.3	87%	0.874	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-47.5	-178.9	-64.9	-179.9	179.1	0	0	110.7	R167 L171 V172	R167-E169 VanDerWaalsContact C-N 3.31Å; R167-E169 PolarHBondContact O-N 3.19Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 3.33Å; E169-V172 PolarHBondContact O-N 2.96Å
170	E	68.1	Low	74.3	Confident	125 Å²	125	57.2 Å²	57.2	58%	0.584	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-37	174.3	-169.2	-167.5	165.1	0	0	112	R167 V172	R167-E170 HydrophobicContact CB-CB 4.36Å; R167-E170 WeakPolarHBondContact CD-OE2 3.47Å; R167-E170 IonicContact NH1-OE2 3.44Å; R167-E170 PolarHBondContact O-N 2.94Å; E170-V172 VanDerWaalsContact C-N 3.28Å; E170-V172 PolarHBondContact O-N 3.32Å
171	L	70.5	Confident	73.7	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2	178	-63.1	175.8	0	0	0	113	F114 K142 Y159 F164 R167 R168 E169 F173	F114-L171 WeakPolarHBondContact CZ-O 3.13Å; K142-L171 HydrophobicContact CB-CD2 4.47Å; K142-L171 HydrophobicContact CD-CB 4.06Å; K142-L171 HydrophobicContact CD-CD2 3.76Å; K142-L171 WeakPolarHBondContact CD-O 3.43Å; K142-L171 VanDerWaalsContact CE-O 3.22Å; K142-L171 WeakPolarHBondContact CE-O 3.34Å; K142-L171 PolarHBondContact NZ-O 3.37Å; Y159-L171 HydrophobicContact CD1-CD1 4.43Å; Y159-L171 HydrophobicContact CD2-CD1 4.35Å; Y159-L171 HydrophobicContact CE1-CD1 4.3Å; Y159-L171 HydrophobicContact CE1-CD2 4.29Å; Y159-L171 HydrophobicContact CE2-CD1 4.24Å; Y159-L171 HydrophobicContact CE2-CD2 4.03Å; Y159-L171 HydrophobicContact CG-CD1 4.47Å; Y159-L171 WeakPolarHBondContact OH-CD2 3.44Å; F164-L171 HydrophobicContact CD2-CD1 3.44Å; F164-L171 VanDerWaalsContact CD2-CD1 3.44Å; F164-L171 HydrophobicContact CE2-CB 4.5Å; F164-L171 HydrophobicContact CE2-CD1 3.68Å; F164-L171 HydrophobicContact CG-CD1 4.05Å; F164-L171 HydrophobicContact CZ-CD1 4.45Å; R167-L171 HydrophobicContact CB-CD1 4.1Å; R167-L171 HydrophobicContact CB-CG 4.2Å; R167-L171 VanDerWaalsContact O-CB 3.26Å; R167-L171 WeakPolarHBondContact O-CB 3.42Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 2.88Å; R168-L171 CarbonylContact O-C 3.55Å; R168-L171 PolarHBondContact O-N 2.84Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 3.33Å; L171-F173 PolarHBondContact O-N 3.03Å
172	V	67.2	Low	73.4	Confident	64 Å²	64	56.2 Å²	56.2	39%	0.388	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.6	178.4	-161	0	0	0	0	111.8	R168 E169 E170 R174	R168-V172 PolarHBondContact O-N 3.41Å; E169-V172 PolarHBondContact O-N 2.96Å; E170-V172 VanDerWaalsContact C-N 3.28Å; E170-V172 PolarHBondContact O-N 3.32Å; V172-R174 PolarHBondContact O-N 3.31Å
173	F	69.4	Low	73.4	Confident	7 Å²	7	58.9 Å²	58.9	3%	0.031	30%	0.296	C	S	.	.			trans	-87	96.6	172.3	-168.5	-91.3	0	0	0	108.2	L111 F114 F164 R168 L171 Y177 L182 L200	L111-F173 HydrophobicContact CD1-CE2 3.95Å; F114-F173 HydrophobicContact CD1-CD2 4.06Å; F114-F173 AromaticContact CD2-CD2 3.98Å; F114-F173 HydrophobicContact CD2-CD2 3.98Å; F114-F173 HydrophobicContact CD2-CE2 4.36Å; F114-F173 HydrophobicContact CE1-CB 4.3Å; F114-F173 HydrophobicContact CE1-CD2 4.01Å; F114-F173 AromaticContact CE2-CD2 3.94Å; F114-F173 HydrophobicContact CE2-CD2 3.94Å; F114-F173 HydrophobicContact CG-CD2 4.04Å; F114-F173 HydrophobicContact CG-CE2 4.38Å; F114-F173 HydrophobicContact CZ-CB 4.14Å; F114-F173 AromaticContact CZ-CD2 3.95Å; F114-F173 HydrophobicContact CZ-CD2 3.95Å; F164-F173 HydrophobicContact CE1-CB 4.19Å; F164-F173 HydrophobicContact CE1-CD1 4.43Å; F164-F173 AromaticContact CE1-CD2 3.92Å; F164-F173 HydrophobicContact CE1-CD2 3.92Å; F164-F173 HydrophobicContact CE1-CE2 4.43Å; F164-F173 AromaticContact CE1-CG 3.91Å; F164-F173 HydrophobicContact CE1-CG 3.91Å; F164-F173 HydrophobicContact CZ-CB 4.19Å; F164-F173 AromaticContact CZ-CD2 3.87Å; F164-F173 HydrophobicContact CZ-CD2 3.87Å; F164-F173 HydrophobicContact CZ-CG 4.14Å; R168-F173 HydrophobicContact CB-CB 4.39Å; R168-F173 HydrophobicContact CG-CB 4.48Å; R168-F173 HydrophobicContact CG-CD1 4.38Å; R168-F173 PolarHBondContact O-N 3.25Å; L171-F173 PolarHBondContact O-N 3.03Å; F173-Y177 HydrophobicContact CD2-CD2 4.42Å; F173-Y177 WeakPolarHBondContact CE1-O 3.47Å; F173-L182 HydrophobicContact CE2-CD2 3.74Å; F173-L182 HydrophobicContact CZ-CD2 4.38Å; F173-L200 HydrophobicContact CD1-CD2 4.01Å; F173-L200 HydrophobicContact CE1-CB 4.47Å; F173-L200 HydrophobicContact CE1-CD2 3.69Å; F173-L200 HydrophobicContact CZ-CD2 4.34Å
174	R	70.6	Confident	73.2	Confident	112 Å²	112	59.5 Å²	59.5	42%	0.423	31%	0.306	S	S	.	.			trans	-61.2	150.6	-172.2	-61.7	-172.1	-174.9	-175.9	1.4	111.9	V172 E176 Y177	V172-R174 PolarHBondContact O-N 3.31Å; R174-E176 PolarHBondContact O-N 2.94Å; R174-E176 VanDerWaalsContact O-N 3.12Å; R174-Y177 HydrophobicContact CB-CD1 4.41Å; R174-Y177 HydrophobicContact CB-CD2 3.71Å; R174-Y177 HydrophobicContact CB-CE1 4.35Å; R174-Y177 HydrophobicContact CB-CE2 3.64Å; R174-Y177 HydrophobicContact CB-CG 4.09Å; R174-Y177 WeakPolarHBondContact CD-OH 3.38Å; R174-Y177 HydrophobicContact CG-CD2 4.16Å; R174-Y177 HydrophobicContact CG-CE2 3.59Å; R174-Y177 VanDerWaalsContact N-CD2 3.27Å; R174-Y177 WeakPolarHBondContact O-CB 3.36Å; R174-Y177 PolarHBondContact O-N 2.81Å
175	P	62.7	Low	73.2	Confident	94 Å²	94	59.8 Å²	59.8	61%	0.61	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.5	176.2	-21.7	32.7	0	0	0	113.9	Y177 V203	P175-Y177 PolarHBondContact O-N 3.09Å; P175-V203 PolarHBondContact O-N 2.82Å
176	E	62.2	Low	73.2	Confident	112 Å²	112	64.4 Å²	64.4	52%	0.523	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.3	175.2	-62.6	148.8	-151.6	0	0	112.5	R174	R174-E176 PolarHBondContact O-N 2.94Å; R174-E176 VanDerWaalsContact O-N 3.12Å
177	Y	74.4	Confident	73.2	Confident	51 Å²	51	64 Å²	64	20%	0.2	33%	0.333	C	S	.	.			trans	-89.9	128.6	-176.5	-59.2	-24.4	0	0	0	111.5	L111 F173 R174 P175	L111-Y177 HydrophobicContact CD1-CD1 4.17Å; L111-Y177 HydrophobicContact CD1-CD2 3.68Å; L111-Y177 HydrophobicContact CD1-CE2 4.32Å; L111-Y177 HydrophobicContact CD1-CG 3.62Å; L111-Y177 HydrophobicContact CD2-CD1 4.16Å; L111-Y177 HydrophobicContact CD2-CD2 4.3Å; L111-Y177 HydrophobicContact CD2-CE1 4.03Å; L111-Y177 HydrophobicContact CD2-CE2 4.16Å; L111-Y177 HydrophobicContact CD2-CG 4.33Å; F173-Y177 HydrophobicContact CD2-CD2 4.42Å; F173-Y177 WeakPolarHBondContact CE1-O 3.47Å; R174-Y177 HydrophobicContact CB-CD1 4.41Å; R174-Y177 HydrophobicContact CB-CD2 3.71Å; R174-Y177 HydrophobicContact CB-CE1 4.35Å; R174-Y177 HydrophobicContact CB-CE2 3.64Å; R174-Y177 HydrophobicContact CB-CG 4.09Å; R174-Y177 WeakPolarHBondContact CD-OH 3.38Å; R174-Y177 HydrophobicContact CG-CD2 4.16Å; R174-Y177 HydrophobicContact CG-CE2 3.59Å; R174-Y177 VanDerWaalsContact N-CD2 3.27Å; R174-Y177 WeakPolarHBondContact O-CB 3.36Å; R174-Y177 PolarHBondContact O-N 2.81Å; P175-Y177 PolarHBondContact O-N 3.09Å
178	G	74.8	Confident	73.5	Confident	4 Å²	4	60.6 Å²	60.6	4%	0.041	32%	0.321	C	S	.	.			trans	-101.9	159.4	178.7	0	0	0	0	0	112.8	A180 Q181	G178-A180 PolarHBondContact O-N 2.83Å; G178-A180 VanDerWaalsContact O-N 3.13Å; G178-Q181 WeakPolarHBondContact O-CB 3.28Å; G178-Q181 PolarHBondContact O-N 2.96Å
179	A	74.6	Confident	74	Confident	1 Å²	1	66 Å²	66	1%	0.008	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-50.3	-36.3	171.6	0	0	0	0	0	113.4	Q181 L182 F185 L196 K197 L200	A179-Q181 PolarHBondContact O-N 3.26Å; A179-L182 WeakPolarHBondContact O-CB 3.4Å; A179-L182 WeakPolarHBondContact O-CG 3.25Å; A179-L182 PolarHBondContact O-N 2.82Å; A179-L182 VanDerWaalsContact O-N 3.1Å; A179-F185 HydrophobicContact CB-CD2 4.31Å; A179-F185 HydrophobicContact CB-CE2 3.84Å; A179-F185 HydrophobicContact CB-CZ 4.48Å; A179-F185 WeakPolarHBondContact O-CD2 3.45Å; A179-F185 WeakPolarHBondContact O-CG 3.36Å; A179-L196 HydrophobicContact CB-CB 4.24Å; A179-L196 HydrophobicContact CB-CD2 4.2Å; A179-L196 HydrophobicContact CB-CG 4.37Å; A179-L196 WeakPolarHBondContact CB-O 3.47Å; A179-K197 HydrophobicContact CB-CB 4.42Å; A179-K197 HydrophobicContact CB-CG 4.04Å; A179-L200 HydrophobicContact CB-CB 4.05Å; A179-L200 PolarHBondContact N-O 3.42Å; A179-L200 VanDerWaalsContact N-O 3.1Å
180	A	74.3	Confident	74.7	Confident	38 Å²	38	60.6 Å²	60.6	31%	0.314	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-64.4	-18.2	-179.3	0	0	0	0	0	113.7	G178 F185	G178-A180 PolarHBondContact O-N 2.83Å; G178-A180 VanDerWaalsContact O-N 3.13Å; A180-F185 HydrophobicContact CB-CD1 4.49Å; A180-F185 HydrophobicContact CB-CE1 4.38Å
181	Q	74.4	Confident	75.2	Confident	23 Å²	23	62.3 Å²	62.3	11%	0.107	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-88	-6.6	178.7	-60.7	175.9	-19.2	0	0	112.5	E108 T110 L111 G178 A179	E108-Q181 HydrophobicContact CB-CG 3.98Å; T110-Q181 CarbonylContact C-O 3.53Å; T110-Q181 WeakPolarHBondContact CA-O 3.46Å; L111-Q181 HydrophobicContact CD1-CB 4.07Å; L111-Q181 HydrophobicContact CG-CB 4.01Å; L111-Q181 PolarHBondContact N-O 3.47Å; G178-Q181 WeakPolarHBondContact O-CB 3.28Å; G178-Q181 PolarHBondContact O-N 2.96Å; A179-Q181 PolarHBondContact O-N 3.26Å
182	L	77.8	Confident	75.6	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	134.6	178.5	-64.2	173.4	0	0	0	111.7	F114 V116 V140 F173 A179 G184 F185 L196 L200	F114-L182 HydrophobicContact CB-CD2 3.36Å; F114-L182 HydrophobicContact CG-CD2 4.28Å; V116-L182 HydrophobicContact CB-CB 4.32Å; V116-L182 HydrophobicContact CB-CD1 4.22Å; V116-L182 HydrophobicContact CG1-CB 3.82Å; V116-L182 HydrophobicContact CG1-CD1 4.31Å; V140-L182 HydrophobicContact CG1-CD1 4.28Å; V140-L182 HydrophobicContact CG1-CD2 4.38Å; F173-L182 HydrophobicContact CE2-CD2 3.74Å; F173-L182 HydrophobicContact CZ-CD2 4.38Å; A179-L182 WeakPolarHBondContact O-CB 3.4Å; A179-L182 WeakPolarHBondContact O-CG 3.25Å; A179-L182 PolarHBondContact O-N 2.82Å; A179-L182 VanDerWaalsContact O-N 3.1Å; L182-G184 PolarHBondContact O-N 3.2Å; L182-F185 HydrophobicContact CB-CB 4.42Å; L182-F185 VanDerWaalsContact O-CB 3.26Å; L182-F185 WeakPolarHBondContact O-CB 3.48Å; L182-F185 PolarHBondContact O-N 2.63Å; L182-L196 HydrophobicContact CD1-CD2 3.67Å; L182-L200 HydrophobicContact CD1-CD1 4.02Å
183	K	80.1	Confident	76.1	Confident	113 Å²	113	62.6 Å²	62.6	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.7	176.2	-173.8	178.5	-179.6	176.6	0	110.4	F114 A115 V116	F114-K183 WeakPolarHBondContact O-CB 3.4Å; F114-K183 PolarHBondContact O-N 3.18Å; A115-K183 CarbonylContact C-O 3.59Å; A115-K183 WeakPolarHBondContact CA-O 3.18Å; A115-K183 HydrophobicContact CB-CB 4.2Å; A115-K183 WeakPolarHBondContact CB-O 3.35Å; V116-K183 PolarHBondContact N-O 2.89Å
184	G	77.5	Confident	76.6	Confident	35 Å²	35	67.5 Å²	67.5	36%	0.361	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-1.6	-177.8	0	0	0	0	0	114.6	V116 L182 N186 A187	V116-G184 CarbonylContact O-C 3.58Å; L182-G184 PolarHBondContact O-N 3.2Å; G184-N186 VanDerWaalsContact C-N 3.34Å; G184-N186 PolarHBondContact O-N 2.78Å; G184-A187 WeakPolarHBondContact O-CB 3.42Å; G184-A187 PolarHBondContact O-N 2.94Å
185	F	82.9	Confident	77.1	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.026	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-55.5	-44.6	178.5	-178	-98.2	0	0	0	113.4	V116 A179 A180 L182 A187 L188 Q193 L196 K197	V116-F185 HydrophobicContact CG1-CB 4.04Å; A179-F185 HydrophobicContact CB-CD2 4.31Å; A179-F185 HydrophobicContact CB-CE2 3.84Å; A179-F185 HydrophobicContact CB-CZ 4.48Å; A179-F185 WeakPolarHBondContact O-CD2 3.45Å; A179-F185 WeakPolarHBondContact O-CG 3.36Å; A180-F185 HydrophobicContact CB-CD1 4.49Å; A180-F185 HydrophobicContact CB-CE1 4.38Å; L182-F185 HydrophobicContact CB-CB 4.42Å; L182-F185 VanDerWaalsContact O-CB 3.26Å; L182-F185 WeakPolarHBondContact O-CB 3.48Å; L182-F185 PolarHBondContact O-N 2.63Å; F185-A187 PolarHBondContact O-N 3.42Å; F185-A187 VanDerWaalsContact O-N 3.09Å; F185-L188 HydrophobicContact CD2-CD1 4.3Å; F185-L188 WeakPolarHBondContact O-CB 3.27Å; F185-L188 PolarHBondContact O-N 3.07Å; F185-L188 VanDerWaalsContact O-N 3.08Å; F185-Q193 HydrophobicContact CD1-CG 4.43Å; F185-Q193 HydrophobicContact CE1-CB 4.01Å; F185-Q193 HydrophobicContact CE1-CG 3.9Å; F185-Q193 HydrophobicContact CE2-CB 4.08Å; F185-Q193 HydrophobicContact CE2-CG 4.17Å; F185-Q193 HydrophobicContact CZ-CB 3.49Å; F185-Q193 VanDerWaalsContact CZ-CB 3.49Å; F185-Q193 HydrophobicContact CZ-CG 3.75Å; F185-Q193 WeakPolarHBondContact CZ-O 2.99Å; F185-Q193 PolarHBondContact O-NE2 2.96Å; F185-L196 HydrophobicContact CD2-CD2 3.9Å; F185-L196 HydrophobicContact CE2-CB 4.06Å; F185-L196 HydrophobicContact CE2-CD2 4.03Å; F185-K197 HydrophobicContact CE2-CG 4.42Å; F185-K197 HydrophobicContact CZ-CD 4.21Å; F185-K197 HydrophobicContact CZ-CG 3.83Å
186	N	81	Confident	77.8	Confident	139 Å²	139	61.4 Å²	61.4	74%	0.743	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-66	-12.6	-179.8	-62.5	-18.1	0	0	0	113.9	G184	G184-N186 VanDerWaalsContact C-N 3.34Å; G184-N186 PolarHBondContact O-N 2.78Å
187	A	79.4	Confident	78.7	Confident	82 Å²	82	59.7 Å²	59.7	68%	0.678	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-90.8	-3.6	177.1	0	0	0	0	0	113.1	G184 F185	G184-A187 WeakPolarHBondContact O-CB 3.42Å; G184-A187 PolarHBondContact O-N 2.94Å; F185-A187 PolarHBondContact O-N 3.42Å; F185-A187 VanDerWaalsContact O-N 3.09Å
188	L	82.3	Confident	78.9	Confident	11 Å²	11	65.3 Å²	65.3	6%	0.058	34%	0.342	C	S	.	.	S	Bend	trans	-82.2	157.8	174.6	-57.7	176.7	0	0	0	111.1	V116 Y118 F185 D192 Q193 L196	V116-L188 HydrophobicContact CG1-CD1 3.93Å; V116-L188 HydrophobicContact CG2-CD1 3.78Å; Y118-L188 HydrophobicContact CD2-CD2 3.97Å; Y118-L188 HydrophobicContact CE1-CD2 4.28Å; Y118-L188 HydrophobicContact CE2-CB 4.48Å; Y118-L188 HydrophobicContact CE2-CD2 3.64Å; Y118-L188 HydrophobicContact CG-CD2 4.42Å; F185-L188 HydrophobicContact CD2-CD1 4.3Å; F185-L188 WeakPolarHBondContact O-CB 3.27Å; F185-L188 PolarHBondContact O-N 3.07Å; F185-L188 VanDerWaalsContact O-N 3.08Å; L188-D192 HydrophobicContact CB-CB 4.44Å; L188-Q193 HydrophobicContact CB-CG 3.86Å; L188-Q193 PolarHBondContact O-NE2 3.25Å; L188-L196 HydrophobicContact CD1-CD2 4.3Å
189	R	85.3	Confident	79	Confident	174 Å²	174	70.1 Å²	70.1	66%	0.657	36%	0.359	S	S	*	.			trans	-64.1	152	172.4	-65.6	173.5	-172.1	167	3.7	110.8	Y118 E191 D192 Q193	Y118-R189 WeakPolarHBondContact OH-CB 3.45Å; Y118-R189 WeakPolarHBondContact OH-CG 3.34Å; Y118-R189 PolarHBondContact OH-N 3.19Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 PolarHBondContact O-N 2.96Å; R189-D192 HydrophobicContact CB-CB 4.43Å; R189-D192 WeakPolarHBondContact O-CB 3.49Å; R189-D192 PolarHBondContact O-N 3.38Å; R189-D192 VanDerWaalsContact O-N 3.09Å; R189-Q193 WeakPolarHBondContact O-CG 3.49Å; R189-Q193 PolarHBondContact O-N 2.9Å
190	A	80.3	Confident	79	Confident	72 Å²	72	70.2 Å²	70.2	60%	0.595	36%	0.359	S	S	*	.	H	α-helix	trans	-57.4	-40.1	-177	0	0	0	0	0	113.2	D192 Q193 E194	A190-D192 PolarHBondContact O-N 3.04Å; A190-Q193 WeakPolarHBondContact O-CB 3.33Å; A190-Q193 PolarHBondContact O-N 2.93Å; A190-E194 PolarHBondContact O-N 3.2Å; A190-E194 VanDerWaalsContact O-N 3.11Å
191	E	77.3	Confident	78.8	Confident	161 Å²	161	71.7 Å²	71.7	75%	0.752	37%	0.365	S	S	*	.	H	α-helix	trans	-61.6	-44.2	176	-65	169.9	-169	0	0	111.9	R189 E194 E195	R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 PolarHBondContact O-N 2.96Å; E191-E194 PolarHBondContact O-N 2.7Å; E191-E195 PolarHBondContact O-N 3.2Å
192	D	80.2	Confident	78.2	Confident	39 Å²	39	72.5 Å²	72.5	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-71.3	-32.4	179.4	-71.7	-33.4	0	0	0	112.3	Y118 I138 L188 R189 A190 L196	Y118-D192 WeakPolarHBondContact CE1-OD2 3.32Å; Y118-D192 PolarHBondContact OH-OD2 3.18Å; I138-D192 HydrophobicContact CD1-CB 3.58Å; L188-D192 HydrophobicContact CB-CB 4.44Å; R189-D192 HydrophobicContact CB-CB 4.43Å; R189-D192 WeakPolarHBondContact O-CB 3.49Å; R189-D192 PolarHBondContact O-N 3.38Å; R189-D192 VanDerWaalsContact O-N 3.09Å; A190-D192 PolarHBondContact O-N 3.04Å; D192-L196 WeakPolarHBondContact O-CB 3.29Å; D192-L196 PolarHBondContact O-N 2.92Å
193	Q	77.6	Confident	77.2	Confident	39 Å²	39	77 Å²	77	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-63.7	-44	172.8	-73.6	-179.1	15.5	0	0	111.3	F185 L188 R189 A190 L196 K197	F185-Q193 HydrophobicContact CD1-CG 4.43Å; F185-Q193 HydrophobicContact CE1-CB 4.01Å; F185-Q193 HydrophobicContact CE1-CG 3.9Å; F185-Q193 HydrophobicContact CE2-CB 4.08Å; F185-Q193 HydrophobicContact CE2-CG 4.17Å; F185-Q193 HydrophobicContact CZ-CB 3.49Å; F185-Q193 VanDerWaalsContact CZ-CB 3.49Å; F185-Q193 HydrophobicContact CZ-CG 3.75Å; F185-Q193 WeakPolarHBondContact CZ-O 2.99Å; F185-Q193 PolarHBondContact O-NE2 2.96Å; L188-Q193 HydrophobicContact CB-CG 3.86Å; L188-Q193 PolarHBondContact O-NE2 3.25Å; R189-Q193 WeakPolarHBondContact O-CG 3.49Å; R189-Q193 PolarHBondContact O-N 2.9Å; A190-Q193 WeakPolarHBondContact O-CB 3.33Å; A190-Q193 PolarHBondContact O-N 2.93Å; Q193-L196 PolarHBondContact O-N 3.31Å; Q193-K197 VanDerWaalsContact O-CG 3.31Å; Q193-K197 WeakPolarHBondContact O-CG 3.15Å; Q193-K197 PolarHBondContact O-N 3.37Å
194	E	79.7	Confident	75.4	Confident	109 Å²	109	79.2 Å²	79.2	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-68.6	-40.9	177.9	-70	-55.6	129.6	0	0	111.9	A190 E191 L196 K197 K198	A190-E194 PolarHBondContact O-N 3.2Å; A190-E194 VanDerWaalsContact O-N 3.11Å; E191-E194 PolarHBondContact O-N 2.7Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 2.81Å; E194-K197 PolarHBondContact O-N 2.9Å; E194-K197 IonicContact OE1-NZ 2.74Å; E194-K197 PolarHBondContact OE1-NZ 3.39Å; E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 PolarHBondContact O-N 3.5Å
195	E	79.7	Confident	73.3	Confident	74 Å²	74	83.4 Å²	83.4	35%	0.346	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-39	174.5	-178.2	60.8	-167.1	0	0	111.6	E191 K198 R199	E191-E195 PolarHBondContact O-N 3.2Å; E195-K198 PolarHBondContact O-N 3.49Å; E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 WeakPolarHBondContact O-CG 3.39Å; E195-R199 PolarHBondContact O-N 3.33Å; E195-R199 IonicContact OE1-CZ 3.43Å; E195-R199 IonicContact OE1-NE 3.06Å; E195-R199 PolarHBondContact OE1-NE 3.44Å; E195-R199 IonicContact OE1-NH2 3.72Å; E195-R199 PolarHBondContact OE1-NH2 3.09Å
196	L	78.2	Confident	70.8	Confident	4 Å²	4	91.8 Å²	91.8	2%	0.021	48%	0.476	C	S	.	.	H	α-helix	trans	-69.7	-37.9	176.7	-142.5	85.6	0	0	0	112.1	V116 I138 T161 A179 L182 F185 L188 D192 Q193 E194 R199 L200	V116-L196 HydrophobicContact CB-CD2 4.47Å; V116-L196 HydrophobicContact CG1-CD2 4.43Å; V116-L196 HydrophobicContact CG2-CD2 3.95Å; I138-L196 HydrophobicContact CG2-CD1 4.01Å; T161-L196 HydrophobicContact CG2-CD1 3.66Å; A179-L196 HydrophobicContact CB-CB 4.24Å; A179-L196 HydrophobicContact CB-CD2 4.2Å; A179-L196 HydrophobicContact CB-CG 4.37Å; A179-L196 WeakPolarHBondContact CB-O 3.47Å; L182-L196 HydrophobicContact CD1-CD2 3.67Å; F185-L196 HydrophobicContact CD2-CD2 3.9Å; F185-L196 HydrophobicContact CE2-CB 4.06Å; F185-L196 HydrophobicContact CE2-CD2 4.03Å; L188-L196 HydrophobicContact CD1-CD2 4.3Å; D192-L196 WeakPolarHBondContact O-CB 3.29Å; D192-L196 PolarHBondContact O-N 2.92Å; Q193-L196 PolarHBondContact O-N 3.31Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 2.81Å; L196-R199 PolarHBondContact O-N 2.94Å; L196-L200 HydrophobicContact CG-CD1 4.35Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 PolarHBondContact O-N 2.5Å
197	K	81.1	Confident	68.4	Low	77 Å²	77	88.4 Å²	88.4	34%	0.335	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-42	173.5	-76.4	171.5	-173.3	169.3	0	111.8	A179 F185 Q193 E194 R199 L200	A179-K197 HydrophobicContact CB-CB 4.42Å; A179-K197 HydrophobicContact CB-CG 4.04Å; F185-K197 HydrophobicContact CE2-CG 4.42Å; F185-K197 HydrophobicContact CZ-CD 4.21Å; F185-K197 HydrophobicContact CZ-CG 3.83Å; Q193-K197 VanDerWaalsContact O-CG 3.31Å; Q193-K197 WeakPolarHBondContact O-CG 3.15Å; Q193-K197 PolarHBondContact O-N 3.37Å; E194-K197 PolarHBondContact O-N 2.9Å; E194-K197 IonicContact OE1-NZ 2.74Å; E194-K197 PolarHBondContact OE1-NZ 3.39Å; K197-R199 VanDerWaalsContact C-N 3.31Å; K197-L200 CarbonylContact O-C 3.25Å; K197-L200 VanDerWaalsContact O-C 3.25Å; K197-L200 PolarHBondContact O-N 3.05Å
198	K	79.5	Confident	66.4	Low	169 Å²	169	95 Å²	95	74%	0.735	49%	0.488	S	S	*	.	H	α-helix	trans	-63.3	-40.5	175.5	-174.4	178.4	-178.6	-179.8	0	111.2	E194 E195	E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 PolarHBondContact O-N 3.5Å; E195-K198 PolarHBondContact O-N 3.49Å
199	R	75.4	Confident	63.8	Low	104 Å²	104	106.1 Å²	106.1	39%	0.392	53%	0.529	S	S	.	.	H	α-helix	trans	-69.4	-49.6	175.2	-71.4	-169.5	-171.2	178.9	4.9	110.9	T161 V165 R168 E195 L196 K197 P201	T161-R199 PolarHBondContact OG1-NH1 2.94Å; V165-R199 HydrophobicContact CG2-CB 4.14Å; R168-R199 PolarHBondContact NH2-O 2.81Å; E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 WeakPolarHBondContact O-CG 3.39Å; E195-R199 PolarHBondContact O-N 3.33Å; E195-R199 IonicContact OE1-CZ 3.43Å; E195-R199 IonicContact OE1-NE 3.06Å; E195-R199 PolarHBondContact OE1-NE 3.44Å; E195-R199 IonicContact OE1-NH2 3.72Å; E195-R199 PolarHBondContact OE1-NH2 3.09Å; L196-R199 PolarHBondContact O-N 2.94Å; K197-R199 VanDerWaalsContact C-N 3.31Å; R199-P201 WeakPolarHBondContact O-CD 3.41Å
200	L	74.9	Confident	61	Low	3 Å²	3	107.5 Å²	107.5	2%	0.016	54%	0.539	C	S	.	.	S	Bend	trans	-109.4	74.3	-176.7	-66.3	158.7	0	0	0	112.4	F164 V165 R168 F173 A179 L182 L196 K197	F164-L200 HydrophobicContact CD1-CD2 4.27Å; F164-L200 HydrophobicContact CE1-CD2 4.27Å; V165-L200 HydrophobicContact CG2-CD2 4.2Å; V165-L200 HydrophobicContact CG2-CG 4.25Å; R168-L200 HydrophobicContact CG-CD2 4.35Å; R168-L200 VanDerWaalsContact NE-CD2 3.31Å; F173-L200 HydrophobicContact CD1-CD2 4.01Å; F173-L200 HydrophobicContact CE1-CB 4.47Å; F173-L200 HydrophobicContact CE1-CD2 3.69Å; F173-L200 HydrophobicContact CZ-CD2 4.34Å; A179-L200 HydrophobicContact CB-CB 4.05Å; A179-L200 PolarHBondContact N-O 3.42Å; A179-L200 VanDerWaalsContact N-O 3.1Å; L182-L200 HydrophobicContact CD1-CD1 4.02Å; L196-L200 HydrophobicContact CG-CD1 4.35Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 PolarHBondContact O-N 2.5Å; K197-L200 CarbonylContact O-C 3.25Å; K197-L200 VanDerWaalsContact O-C 3.25Å; K197-L200 PolarHBondContact O-N 3.05Å
201	P	70.3	Confident	58.6	Low	69 Å²	69	109 Å²	109	45%	0.448	55%	0.545	S	S	.	.			trans	-74.6	136.3	178.2	30.2	-34.8	0	0	0	111.4	R199	R199-P201 WeakPolarHBondContact O-CD 3.41Å
202	A	62.6	Low	56.3	Low	41 Å²	41	109 Å²	109	34%	0.339	55%	0.55	S	S	.	*			trans	-80.5	120.5	168.7	0	0	0	0	0	109.6	K204	A202-K204 PolarHBondContact O-N 3.42Å
203	V	57	Low	54.3	Low	95 Å²	95	116.3 Å²	116.3	58%	0.576	58%	0.583	S	S	*	*			trans	-84.8	110.5	173.2	-174.9	0	0	0	0	108.3	P175	P175-V203 PolarHBondContact O-N 2.82Å
204	K	40.7	Very low	52	Low	161 Å²	161	120.8 Å²	120.8	70%	0.7	61%	0.613	S	S	*	*			trans	-79.6	119	171.6	-70.5	-176.6	-179.7	177	0	109.4	A202 E206	A202-K204 PolarHBondContact O-N 3.42Å; K204-E206 PolarHBondContact O-N 3.45Å; K204-E206 VanDerWaalsContact O-N 3.14Å
205	S	34.2	Very low	49.7	Very low	122 Å²	122	122.4 Å²	122.4	85%	0.853	63%	0.625	S	S	*	*			trans	-78.4	89.3	165.8	62.7	0	0	0	0	109.6
206	E	29.5	Very low	47.5	Very low	183 Å²	183	122.4 Å²	122.4	86%	0.855	65%	0.646	S	S	*	*			trans	-97.8	131.2	160.9	-77.6	-165.2	163.3	0	0	109.8	K204	K204-E206 PolarHBondContact O-N 3.45Å; K204-E206 VanDerWaalsContact O-N 3.14Å
207	G	31.6	Very low	45.5	Very low	68 Å²	68	125.8 Å²	125.8	70%	0.701	67%	0.674	S	S	*	*			trans	122.9	95.6	156.1	0	0	0	0	0	116.2	R209	G207-R209 PolarHBondContact O-N 2.94Å
208	K	36.8	Very low	43.3	Very low	221 Å²	221	127.9 Å²	127.9	96%	0.961	69%	0.688	S	S	*	*			trans	-35.2	123.7	136.7	-101.5	174.7	169.2	176.2	0	109.2
209	R	27.7	Very low	41	Very low	244 Å²	244	125.8 Å²	125.8	92%	0.921	68%	0.681	S	S	*	*			trans	-109.8	132.2	156.8	-81.9	-174.7	179.6	168.1	0.7	109.4	G207	G207-R209 PolarHBondContact O-N 2.94Å
210	K	26.6	Very low	39.1	Very low	202 Å²	202	128 Å²	128	88%	0.878	70%	0.696	S	S	*	*			trans	-61	149.7	174.6	-83.2	175.8	169.5	-179.7	0	110.2
211	S	31.1	Very low	37.2	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	73%	0.728	S	S	*	*			trans	-37.6	133.7	165.8	48.6	0	0	0	0	114.4
212	D	27.4	Very low	35.7	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	73%	0.733	S	S	*	*			trans	-145	144.2	137.4	-84.6	-34.6	0	0	0	108.2
213	E	38.4	Very low	34.4	Very low	193 Å²	193	141 Å²	141	90%	0.902	75%	0.745	S	S	*	*			trans	-65.7	133.2	-156.2	-65.7	169.1	136.1	0	0	115.4
214	V	29.1	Very low	33.5	Very low	134 Å²	134	140.7 Å²	140.7	81%	0.812	74%	0.743	S	S	*	*			trans	-142.7	117.5	160.5	-176.7	0	0	0	0	109.6
215	D	31.4	Very low	33.3	Very low	142 Å²	142	135 Å²	135	76%	0.759	73%	0.73	S	S	*	*			trans	16.5	121.6	163	-64.8	-35.3	0	0	0	121.3	A217	D215-A217 PolarHBondContact O-N 3.15Å
216	G	34.4	Very low	33.3	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	18.9	-172.3	0	0	0	0	0	118.9
217	A	35.7	Very low	33.7	Very low	75 Å²	75	128.3 Å²	128.3	62%	0.62	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-18.1	178.4	0	0	0	0	0	114.3	D215	D215-A217 PolarHBondContact O-N 3.15Å
218	L	34.6	Very low	34.5	Very low	120 Å²	120	129.5 Å²	129.5	63%	0.628	69%	0.69	S	S	*	*	H	α-helix	trans	-90.7	-17.9	-176.8	-113.2	139.3	0	0	0	114	L222	L218-L222 HydrophobicContact CD2-CD1 4.16Å; L218-L222 PolarHBondContact O-N 2.85Å
219	E	32.1	Very low	35.1	Very low	126 Å²	126	121.9 Å²	121.9	59%	0.589	67%	0.668	S	S	*	*	H	α-helix	trans	-72.6	-31.6	176.9	-88.8	-155.5	162.7	0	0	113.7	K223	E219-K223 VanDerWaalsContact O-CB 3.32Å; E219-K223 WeakPolarHBondContact O-CB 3.36Å; E219-K223 WeakPolarHBondContact O-CG 3.35Å; E219-K223 PolarHBondContact O-N 3.47Å; E219-K223 VanDerWaalsContact O-N 3.09Å; E219-K223 IonicContact OE2-NZ 3.88Å; E219-K223 PolarHBondContact OE2-NZ 3.13Å
220	E	34.6	Very low	36.5	Very low	151 Å²	151	116.3 Å²	116.3	71%	0.706	65%	0.652	S	S	*	*	H	α-helix	trans	-71.7	-33.8	178.7	-86.9	-169.9	144.5	0	0	112.4	T224	E220-T224 WeakPolarHBondContact O-CB 3.5Å; E220-T224 WeakPolarHBondContact O-CG2 3.35Å; E220-T224 PolarHBondContact O-N 3.37Å; E220-T224 PolarHBondContact O-OG1 2.91Å
221	Q	36.3	Very low	38	Very low	146 Å²	146	111.5 Å²	111.5	68%	0.682	63%	0.632	S	S	*	*	H	α-helix	trans	-76	-34.5	178.9	-69.7	-174.2	-1.7	0	0	113.1	T224 G225	Q221-T224 WeakPolarHBondContact CA-OG1 3.42Å; Q221-T224 PolarHBondContact O-OG1 3.12Å; Q221-G225 PolarHBondContact O-N 3Å; Q221-G225 VanDerWaalsContact O-N 3.08Å
222	L	37.5	Very low	39.5	Very low	107 Å²	107	108.2 Å²	108.2	56%	0.56	61%	0.608	S	S	*	*	H	α-helix	trans	-74.7	-37.6	174.8	-92.8	147.4	0	0	0	112.6	L218 L226	L218-L222 HydrophobicContact CD2-CD1 4.16Å; L218-L222 PolarHBondContact O-N 2.85Å; L222-L226 WeakPolarHBondContact O-CB 3.24Å; L222-L226 PolarHBondContact O-N 3.37Å; L222-L226 VanDerWaalsContact O-N 3.12Å
223	K	36.1	Very low	41.2	Very low	133 Å²	133	103 Å²	103	58%	0.578	58%	0.584	S	S	*	*	H	α-helix	trans	-68.5	-38.7	174.1	-77.4	168.7	178.3	158.6	0	112.2	E219 G227	E219-K223 VanDerWaalsContact O-CB 3.32Å; E219-K223 WeakPolarHBondContact O-CB 3.36Å; E219-K223 WeakPolarHBondContact O-CG 3.35Å; E219-K223 PolarHBondContact O-N 3.47Å; E219-K223 VanDerWaalsContact O-N 3.09Å; E219-K223 IonicContact OE2-NZ 3.88Å; E219-K223 PolarHBondContact OE2-NZ 3.13Å; K223-G227 PolarHBondContact O-N 3.05Å
224	T	37.5	Very low	42.6	Very low	87 Å²	87	97.1 Å²	97.1	53%	0.534	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-32.8	175.8	47.2	0	0	0	0	113.1	E220 Q221 N228	E220-T224 WeakPolarHBondContact O-CB 3.5Å; E220-T224 WeakPolarHBondContact O-CG2 3.35Å; E220-T224 PolarHBondContact O-N 3.37Å; E220-T224 PolarHBondContact O-OG1 2.91Å; Q221-T224 WeakPolarHBondContact CA-OG1 3.42Å; Q221-T224 PolarHBondContact O-OG1 3.12Å; T224-N228 WeakPolarHBondContact O-CB 3.41Å; T224-N228 PolarHBondContact O-N 3.24Å; T224-N228 VanDerWaalsContact O-N 3.07Å; T224-N228 PolarHBondContact O-ND2 3.44Å
225	G	36	Very low	44.6	Very low	43 Å²	43	97.1 Å²	97.1	44%	0.443	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-45.7	174.7	0	0	0	0	0	114.3	Q221 A229	Q221-G225 PolarHBondContact O-N 3Å; Q221-G225 VanDerWaalsContact O-N 3.08Å; G225-A229 PolarHBondContact O-N 3.23Å
226	L	35.3	Very low	46.4	Very low	124 Å²	124	93 Å²	93	65%	0.649	52%	0.519	S	S	*	.	H	α-helix	trans	-70.1	-38.9	175.7	-80.4	158.1	0	0	0	112.2	L222 N228 A229 H230	L222-L226 WeakPolarHBondContact O-CB 3.24Å; L222-L226 PolarHBondContact O-N 3.37Å; L222-L226 VanDerWaalsContact O-N 3.12Å; L226-N228 PolarHBondContact O-N 3.38Å; L226-A229 PolarHBondContact O-N 3.27Å; L226-H230 WeakPolarHBondContact O-CB 3.28Å; L226-H230 PolarHBondContact O-N 3Å
227	G	36.8	Very low	48.3	Very low	40 Å²	40	92.6 Å²	92.6	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-40.6	173.9	0	0	0	0	0	112.9	K223 H231	K223-G227 PolarHBondContact O-N 3.05Å; G227-H231 VanDerWaalsContact O-CB 3.26Å; G227-H231 WeakPolarHBondContact O-CB 3.38Å; G227-H231 PolarHBondContact O-N 2.94Å
228	N	48.4	Very low	50.2	Low	92 Å²	92	92.9 Å²	92.9	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-38.2	175.2	-96	-33.4	0	0	0	113.3	T224 L226 V232	T224-N228 WeakPolarHBondContact O-CB 3.41Å; T224-N228 PolarHBondContact O-N 3.24Å; T224-N228 VanDerWaalsContact O-N 3.07Å; T224-N228 PolarHBondContact O-ND2 3.44Å; L226-N228 PolarHBondContact O-N 3.38Å; N228-V232 WeakPolarHBondContact O-CB 3.42Å; N228-V232 VanDerWaalsContact O-CG2 3.23Å; N228-V232 WeakPolarHBondContact O-CG2 3.4Å; N228-V232 PolarHBondContact O-N 3.11Å
229	A	50.4	Low	52.3	Low	61 Å²	61	88.6 Å²	88.6	50%	0.504	47%	0.467	S	S	.	.	H	α-helix	trans	-67.7	-41.2	177.4	0	0	0	0	0	112.2	G225 L226 V232 C233	G225-A229 PolarHBondContact O-N 3.23Å; L226-A229 PolarHBondContact O-N 3.27Å; A229-V232 PolarHBondContact O-N 3.32Å; A229-C233 WeakPolarHBondContact O-CB 3.25Å; A229-C233 PolarHBondContact O-N 2.83Å
230	H	57	Low	54.6	Low	128 Å²	128	83.2 Å²	83.2	59%	0.593	44%	0.444	S	S	*	.	H	α-helix	trans	-65.6	-43.9	175	-171	-103.6	0	0	0	111.8	L226 V232 C233 I234	L226-H230 WeakPolarHBondContact O-CB 3.28Å; L226-H230 PolarHBondContact O-N 3Å; H230-V232 PolarHBondContact O-N 2.99Å; H230-C233 WeakPolarHBondContact O-CB 3.37Å; H230-C233 PolarHBondContact O-N 2.79Å; H230-I234 VanDerWaalsContact CE1-CD1 3.44Å; H230-I234 WeakPolarHBondContact CE1-CD1 3.48Å; H230-I234 WeakPolarHBondContact ND1-CD1 3.35Å; H230-I234 WeakPolarHBondContact O-CG1 3.47Å; H230-I234 PolarHBondContact O-N 3.14Å
231	H	58.1	Low	56.7	Low	100 Å²	100	81.4 Å²	81.4	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-63	-40.1	176.5	-172.7	-115.9	0	0	0	112.6	G227 I234 R235	G227-H231 VanDerWaalsContact O-CB 3.26Å; G227-H231 WeakPolarHBondContact O-CB 3.38Å; G227-H231 PolarHBondContact O-N 2.94Å; H231-I234 PolarHBondContact O-N 2.78Å; H231-R235 VanDerWaalsContact O-CG 3.32Å; H231-R235 WeakPolarHBondContact O-CG 3.33Å; H231-R235 PolarHBondContact O-N 3.22Å
232	V	61.4	Low	58.9	Low	34 Å²	34	77.5 Å²	77.5	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-67	-36.7	173.9	170.4	0	0	0	0	112	N228 A229 H230 R235 K236 V354	N228-V232 WeakPolarHBondContact O-CB 3.42Å; N228-V232 VanDerWaalsContact O-CG2 3.23Å; N228-V232 WeakPolarHBondContact O-CG2 3.4Å; N228-V232 PolarHBondContact O-N 3.11Å; A229-V232 PolarHBondContact O-N 3.32Å; H230-V232 PolarHBondContact O-N 2.99Å; V232-R235 PolarHBondContact O-N 3.34Å; V232-K236 HydrophobicContact CG1-CD 4.37Å; V232-K236 VanDerWaalsContact O-CG 3.32Å; V232-K236 WeakPolarHBondContact O-CG 3.4Å; V232-K236 PolarHBondContact O-N 3.02Å; V232-V354 HydrophobicContact CG1-CG1 4.42Å
233	C	63.8	Low	61.1	Low	52 Å²	52	73.4 Å²	73.4	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-47.3	175	-168.4	0	0	0	0	111.5	A229 H230 R235 K236 Q237	A229-C233 WeakPolarHBondContact O-CB 3.25Å; A229-C233 PolarHBondContact O-N 2.83Å; H230-C233 WeakPolarHBondContact O-CB 3.37Å; H230-C233 PolarHBondContact O-N 2.79Å; C233-R235 PolarHBondContact O-N 3.49Å; C233-K236 WeakPolarHBondContact O-CB 3.47Å; C233-K236 PolarHBondContact O-N 3.32Å; C233-Q237 PolarHBondContact O-N 2.82Å
234	I	67.9	Low	63.3	Low	70 Å²	70	69.1 Å²	69.1	36%	0.359	38%	0.377	S	S	.	.	H	α-helix	trans	-58.8	-49	175.8	-68.9	168.5	0	0	0	110.5	H230 H231 K236 Q237 T238	H230-I234 VanDerWaalsContact CE1-CD1 3.44Å; H230-I234 WeakPolarHBondContact CE1-CD1 3.48Å; H230-I234 WeakPolarHBondContact ND1-CD1 3.35Å; H230-I234 WeakPolarHBondContact O-CG1 3.47Å; H230-I234 PolarHBondContact O-N 3.14Å; H231-I234 PolarHBondContact O-N 2.78Å; I234-K236 VanDerWaalsContact C-N 3.26Å; I234-K236 PolarHBondContact O-N 3.48Å; I234-Q237 WeakPolarHBondContact O-CB 3.18Å; I234-Q237 PolarHBondContact O-N 3.24Å; I234-Q237 VanDerWaalsContact O-N 3.1Å; I234-T238 PolarHBondContact O-N 3.48Å; I234-T238 PolarHBondContact O-OG1 2.91Å
235	R	70.5	Confident	65.4	Low	134 Å²	134	66.4 Å²	66.4	51%	0.506	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-36	178.7	-71.1	-179.1	76.9	178.3	5.3	112.6	H231 V232 C233 Q239 V354	H231-R235 VanDerWaalsContact O-CG 3.32Å; H231-R235 WeakPolarHBondContact O-CG 3.33Å; H231-R235 PolarHBondContact O-N 3.22Å; V232-R235 PolarHBondContact O-N 3.34Å; C233-R235 PolarHBondContact O-N 3.49Å; R235-Q239 WeakPolarHBondContact O-CB 3.42Å; R235-Q239 PolarHBondContact O-N 3.36Å; R235-V354 HydrophobicContact CB-CG2 4.28Å
236	K	71	Confident	67.7	Low	56 Å²	56	64.8 Å²	64.8	24%	0.243	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-40.8	174.6	-73.8	174.9	-177	173.4	0	112.9	W78 V232 C233 I234 Q239 S240 V354 Y355	W78-K236 HydrophobicContact CH2-CB 4.49Å; W78-K236 HydrophobicContact CZ3-CB 4.04Å; V232-K236 HydrophobicContact CG1-CD 4.37Å; V232-K236 VanDerWaalsContact O-CG 3.32Å; V232-K236 WeakPolarHBondContact O-CG 3.4Å; V232-K236 PolarHBondContact O-N 3.02Å; C233-K236 WeakPolarHBondContact O-CB 3.47Å; C233-K236 PolarHBondContact O-N 3.32Å; I234-K236 VanDerWaalsContact C-N 3.26Å; I234-K236 PolarHBondContact O-N 3.48Å; K236-Q239 PolarHBondContact O-N 2.88Å; K236-S240 WeakPolarHBondContact O-CB 3.42Å; K236-S240 PolarHBondContact O-N 3.34Å; K236-V354 HydrophobicContact CG-CG1 4.06Å; K236-Y355 VanDerWaalsContact CE-O 3.27Å; K236-Y355 WeakPolarHBondContact CE-O 3.4Å
237	Q	73.5	Confident	70	Confident	66 Å²	66	59.9 Å²	59.9	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-48.6	174.8	-176	-179.5	14	0	0	110.3	W78 C233 I234 Q239 S240 Q241	W78-Q237 HydrophobicContact CD2-CB 4.04Å; W78-Q237 HydrophobicContact CD2-CG 4.03Å; W78-Q237 HydrophobicContact CE3-CB 4.36Å; W78-Q237 HydrophobicContact CG-CG 4.01Å; W78-Q237 HydrophobicContact CH2-CB 4.41Å; W78-Q237 HydrophobicContact CZ2-CB 4.13Å; C233-Q237 PolarHBondContact O-N 2.82Å; I234-Q237 WeakPolarHBondContact O-CB 3.18Å; I234-Q237 PolarHBondContact O-N 3.24Å; I234-Q237 VanDerWaalsContact O-N 3.1Å; Q237-Q239 VanDerWaalsContact C-N 3.33Å; Q237-Q239 PolarHBondContact O-N 3.44Å; Q237-S240 PolarHBondContact O-N 3.29Å; Q237-Q241 WeakPolarHBondContact O-CB 3.4Å; Q237-Q241 WeakPolarHBondContact O-CG 3.36Å; Q237-Q241 PolarHBondContact O-N 2.94Å
238	T	75.1	Confident	72.3	Confident	80 Å²	80	61.2 Å²	61.2	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-42.6	176.5	-51.1	0	0	0	0	111.7	I234 Q241 L242	I234-T238 PolarHBondContact O-N 3.48Å; I234-T238 PolarHBondContact O-OG1 2.91Å; T238-Q241 PolarHBondContact O-N 3.41Å; T238-L242 WeakPolarHBondContact O-CB 3.42Å; T238-L242 PolarHBondContact O-N 2.91Å
239	Q	79.7	Confident	73.9	Confident	31 Å²	31	61.9 Å²	61.9	15%	0.145	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-45.2	176.6	-174.5	-178.1	-69.5	0	0	112.5	R235 K236 Q237 Q241 L242 I243 F287	R235-Q239 WeakPolarHBondContact O-CB 3.42Å; R235-Q239 PolarHBondContact O-N 3.36Å; K236-Q239 PolarHBondContact O-N 2.88Å; Q237-Q239 VanDerWaalsContact C-N 3.33Å; Q237-Q239 PolarHBondContact O-N 3.44Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q239-L242 PolarHBondContact O-N 2.73Å; Q239-I243 HydrophobicContact CG-CD1 4.09Å; Q239-I243 WeakPolarHBondContact O-CG1 3.37Å; Q239-I243 PolarHBondContact O-N 2.68Å; Q239-F287 HydrophobicContact CG-CE1 4.25Å; Q239-F287 HydrophobicContact CG-CZ 3.7Å
240	S	79.2	Confident	75.5	Confident	13 Å²	13	59 Å²	59	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-44	178.2	-175.6	0	0	0	0	111.1	K236 Q237 L242 I243 W244	K236-S240 WeakPolarHBondContact O-CB 3.42Å; K236-S240 PolarHBondContact O-N 3.34Å; Q237-S240 PolarHBondContact O-N 3.29Å; S240-L242 VanDerWaalsContact C-N 3.34Å; S240-L242 PolarHBondContact O-N 3.16Å; S240-I243 PolarHBondContact O-N 3.48Å; S240-W244 WeakPolarHBondContact O-CB 3.37Å; S240-W244 PolarHBondContact O-N 3.24Å
241	Q	80.1	Confident	76.8	Confident	112 Å²	112	57.6 Å²	57.6	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-39.3	175.7	-73.3	172.9	-12.3	0	0	112.3	Q237 T238 Q239 G245	Q237-Q241 WeakPolarHBondContact O-CB 3.4Å; Q237-Q241 WeakPolarHBondContact O-CG 3.36Å; Q237-Q241 PolarHBondContact O-N 2.94Å; T238-Q241 PolarHBondContact O-N 3.41Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q241-G245 WeakPolarHBondContact O-CA 3.44Å; Q241-G245 PolarHBondContact O-N 3.37Å
242	L	82	Confident	78	Confident	65 Å²	65	60.7 Å²	60.7	34%	0.34	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-51.3	176.3	179.1	67.7	0	0	0	111.8	T238 Q239 S240 G245 I246 A286	T238-L242 WeakPolarHBondContact O-CB 3.42Å; T238-L242 PolarHBondContact O-N 2.91Å; Q239-L242 PolarHBondContact O-N 2.73Å; S240-L242 VanDerWaalsContact C-N 3.34Å; S240-L242 PolarHBondContact O-N 3.16Å; L242-G245 PolarHBondContact O-N 2.79Å; L242-I246 HydrophobicContact CD1-CD1 4.19Å; L242-I246 HydrophobicContact CG-CD1 4.14Å; L242-I246 WeakPolarHBondContact O-CG1 3.04Å; L242-I246 PolarHBondContact O-N 2.85Å; L242-A286 HydrophobicContact CD2-CB 4.34Å
243	I	82.4	Confident	79	Confident	20 Å²	20	63 Å²	63	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-48.7	-178.4	-67.2	168.9	0	0	0	110.3	Q239 S240 I246 K247 A282 A286 F287	Q239-I243 HydrophobicContact CG-CD1 4.09Å; Q239-I243 WeakPolarHBondContact O-CG1 3.37Å; Q239-I243 PolarHBondContact O-N 2.68Å; S240-I243 PolarHBondContact O-N 3.48Å; I243-I246 PolarHBondContact O-N 2.91Å; I243-K247 HydrophobicContact CG2-CD 4.32Å; I243-K247 WeakPolarHBondContact O-CG 3.32Å; I243-K247 PolarHBondContact O-N 3.01Å; I243-A282 HydrophobicContact CG2-CB 4.41Å; I243-A286 HydrophobicContact CG1-CB 4.31Å; I243-F287 HydrophobicContact CD1-CE2 3.85Å; I243-F287 HydrophobicContact CD1-CZ 4Å; I243-F287 HydrophobicContact CG1-CE2 4.2Å; I243-F287 HydrophobicContact CG1-CZ 4.36Å
244	W	82.8	Confident	79.9	Confident	43 Å²	43	61.3 Å²	61.3	16%	0.163	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-35.7	178.7	-84.2	101.7	0	0	0	112.7	Y14 D75 L76 R77 S240 I246 K247 D248	Y14-W244 AromaticContact CD2-CH2 3.73Å; Y14-W244 HydrophobicContact CD2-CH2 3.73Å; Y14-W244 AromaticContact CD2-CZ2 3.99Å; Y14-W244 HydrophobicContact CD2-CZ2 3.99Å; Y14-W244 AromaticContact CE2-CH2 3.56Å; Y14-W244 HydrophobicContact CE2-CH2 3.56Å; Y14-W244 AromaticContact CE2-CZ2 3.46Å; Y14-W244 HydrophobicContact CE2-CZ2 3.46Å; Y14-W244 VanDerWaalsContact CE2-CZ2 3.46Å; D75-W244 VanDerWaalsContact O-CZ2 3.28Å; D75-W244 WeakPolarHBondContact O-CZ2 3.35Å; D75-W244 PolarHBondContact O-NE1 3.07Å; L76-W244 PolarHBondContact O-NE1 3.47Å; R77-W244 HydrophobicContact CG-CD2 3.59Å; R77-W244 VanDerWaalsContact CG-CE2 3.5Å; R77-W244 HydrophobicContact CG-CE3 4.03Å; R77-W244 HydrophobicContact CG-CG 3.99Å; R77-W244 HydrophobicContact CG-CH2 4.27Å; R77-W244 HydrophobicContact CG-CZ2 3.87Å; R77-W244 HydrophobicContact CG-CZ3 4.34Å; S240-W244 WeakPolarHBondContact O-CB 3.37Å; S240-W244 PolarHBondContact O-N 3.24Å; W244-I246 VanDerWaalsContact C-N 3.29Å; W244-I246 PolarHBondContact O-N 3.04Å; W244-K247 HydrophobicContact CD2-CD 4.37Å; W244-K247 HydrophobicContact CE3-CB 4.43Å; W244-K247 HydrophobicContact CE3-CD 4.22Å; W244-K247 HydrophobicContact CZ3-CD 4.39Å; W244-K247 PolarHBondContact O-N 3.39Å; W244-D248 WeakPolarHBondContact O-CB 3.43Å; W244-D248 PolarHBondContact O-N 3.49Å
245	G	82.7	Confident	80.6	Confident	30 Å²	30	60.3 Å²	60.3	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-33.8	173.1	0	0	0	0	0	113.1	Q241 L242 K249	Q241-G245 WeakPolarHBondContact O-CA 3.44Å; Q241-G245 PolarHBondContact O-N 3.37Å; L242-G245 PolarHBondContact O-N 2.79Å; G245-K249 WeakPolarHBondContact O-CD 3.34Å; G245-K249 VanDerWaalsContact O-CG 3.23Å; G245-K249 WeakPolarHBondContact O-CG 3.13Å; G245-K249 PolarHBondContact O-N 3.1Å
246	I	83.2	Confident	81.2	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-49.1	172	-67.3	164.7	0	0	0	110.2	L242 I243 W244 D248 K249 L250 A282 M285 A286	L242-I246 HydrophobicContact CD1-CD1 4.19Å; L242-I246 HydrophobicContact CG-CD1 4.14Å; L242-I246 WeakPolarHBondContact O-CG1 3.04Å; L242-I246 PolarHBondContact O-N 2.85Å; I243-I246 PolarHBondContact O-N 2.91Å; W244-I246 VanDerWaalsContact C-N 3.29Å; W244-I246 PolarHBondContact O-N 3.04Å; I246-D248 PolarHBondContact O-N 3.39Å; I246-K249 PolarHBondContact O-N 3.19Å; I246-L250 HydrophobicContact CG2-CD1 3.68Å; I246-L250 HydrophobicContact CG2-CG 4.14Å; I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 2.95Å; I246-A282 HydrophobicContact CB-CB 4.47Å; I246-A282 HydrophobicContact CG2-CB 4Å; I246-M285 HydrophobicContact CD1-CB 4.3Å; I246-M285 HydrophobicContact CG2-CB 4.24Å; I246-M285 HydrophobicContact CG2-SD 3.94Å; I246-A286 HydrophobicContact CD1-CB 3.98Å
247	K	83.9	Confident	81.8	Confident	21 Å²	21	58.3 Å²	58.3	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-46	179.2	-71.4	-180	-175.4	-174.7	0	112.7	I243 W244 K249 L250 K251 D279 A282	I243-K247 HydrophobicContact CG2-CD 4.32Å; I243-K247 WeakPolarHBondContact O-CG 3.32Å; I243-K247 PolarHBondContact O-N 3.01Å; W244-K247 HydrophobicContact CD2-CD 4.37Å; W244-K247 HydrophobicContact CE3-CB 4.43Å; W244-K247 HydrophobicContact CE3-CD 4.22Å; W244-K247 HydrophobicContact CZ3-CD 4.39Å; W244-K247 PolarHBondContact O-N 3.39Å; K247-K249 VanDerWaalsContact C-N 3.32Å; K247-K249 PolarHBondContact O-N 2.96Å; K247-L250 PolarHBondContact O-N 3.07Å; K247-K251 WeakPolarHBondContact O-CB 3.46Å; K247-K251 PolarHBondContact O-N 3.33Å; K247-D279 WeakPolarHBondContact CE-OD1 3.12Å; K247-D279 IonicContact NZ-OD1 2.86Å; K247-D279 PolarHBondContact NZ-OD1 2.96Å; K247-A282 HydrophobicContact CD-CB 4.48Å; K247-A282 HydrophobicContact CG-CB 3.59Å
248	D	84.8	Confident	82.3	Confident	68 Å²	68	57.4 Å²	57.4	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-35.3	-178.6	-73	-6.8	0	0	0	111.3	R77 W244 I246 K252	R77-D248 IonicContact CZ-OD2 2.65Å; R77-D248 IonicContact NH2-OD1 3.44Å; R77-D248 PolarHBondContact NH2-OD1 3.01Å; R77-D248 IonicContact NH2-OD2 3.19Å; R77-D248 PolarHBondContact NH2-OD2 3.17Å; W244-D248 WeakPolarHBondContact O-CB 3.43Å; W244-D248 PolarHBondContact O-N 3.49Å; I246-D248 PolarHBondContact O-N 3.39Å; D248-K252 WeakPolarHBondContact O-CB 3.09Å; D248-K252 PolarHBondContact O-N 3Å; D248-K252 VanDerWaalsContact O-N 3.16Å
249	K	82.9	Confident	82.7	Confident	105 Å²	105	53.7 Å²	53.7	46%	0.457	27%	0.272	S	S	.	.	H	α-helix	trans	-71.5	-42.5	174.8	-72.1	175.5	-171.6	176.4	0	112.4	G245 I246 K247 K252 H253 F342	G245-K249 WeakPolarHBondContact O-CD 3.34Å; G245-K249 VanDerWaalsContact O-CG 3.23Å; G245-K249 WeakPolarHBondContact O-CG 3.13Å; G245-K249 PolarHBondContact O-N 3.1Å; I246-K249 PolarHBondContact O-N 3.19Å; K247-K249 VanDerWaalsContact C-N 3.32Å; K247-K249 PolarHBondContact O-N 2.96Å; K249-K252 PolarHBondContact O-N 3.14Å; K249-H253 WeakPolarHBondContact O-CB 3.47Å; K249-H253 PolarHBondContact O-CD2 3.11Å; K249-H253 PolarHBondContact O-N 3.38Å; K249-F342 HydrophobicContact CB-CD1 4.1Å; K249-F342 HydrophobicContact CB-CD2 4.29Å; K249-F342 HydrophobicContact CB-CE1 3.96Å; K249-F342 HydrophobicContact CB-CE2 4.16Å; K249-F342 HydrophobicContact CB-CG 4.26Å; K249-F342 HydrophobicContact CB-CZ 3.98Å; K249-F342 HydrophobicContact CD-CD2 3.57Å; K249-F342 HydrophobicContact CD-CE2 3.37Å; K249-F342 HydrophobicContact CD-CG 4.3Å; K249-F342 HydrophobicContact CD-CZ 3.97Å; K249-F342 HydrophobicContact CG-CD2 4.45Å; K249-F342 HydrophobicContact CG-CE2 4.4Å
250	L	83.9	Confident	82.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-47.4	174.8	-71.7	171.7	0	0	0	110.9	I246 K247 K252 H253 C254 M259 L278 L281 M285 F342	I246-L250 HydrophobicContact CG2-CD1 3.68Å; I246-L250 HydrophobicContact CG2-CG 4.14Å; I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 2.95Å; K247-L250 PolarHBondContact O-N 3.07Å; L250-K252 PolarHBondContact O-N 3Å; L250-H253 PolarHBondContact O-N 3.31Å; L250-C254 WeakPolarHBondContact O-CB 3.47Å; L250-C254 PolarHBondContact O-N 3.33Å; L250-M259 HydrophobicContact CB-SD 4.1Å; L250-L278 HydrophobicContact CB-CD2 3.7Å; L250-L278 HydrophobicContact CD1-CD2 4.42Å; L250-L281 HydrophobicContact CD1-CB 4.43Å; L250-L281 HydrophobicContact CD1-CD2 3.91Å; L250-L281 HydrophobicContact CD1-CG 3.99Å; L250-L281 HydrophobicContact CD2-CD2 3.99Å; L250-M285 HydrophobicContact CD1-SD 4.08Å; L250-M285 HydrophobicContact CD2-SD 4.03Å; L250-M285 HydrophobicContact CG-SD 4.43Å; L250-F342 HydrophobicContact CD2-CE1 4.21Å; L250-F342 HydrophobicContact CG-CE1 4.47Å
251	K	83.6	Confident	83.2	Confident	100 Å²	100	60.2 Å²	60.2	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-29.1	177.7	-170.9	175.1	178.6	-178	0	113.1	D32 K247	D32-K251 IonicContact OD1-NZ 2.71Å; D32-K251 IonicContact OD2-NZ 3.75Å; D32-K251 PolarHBondContact OD2-NZ 3.15Å; K247-K251 WeakPolarHBondContact O-CB 3.46Å; K247-K251 PolarHBondContact O-N 3.33Å
252	K	84	Confident	83.4	Confident	164 Å²	164	55 Å²	55	71%	0.713	28%	0.275	S	S	*	.	H	α-helix	trans	-87.3	-31.5	-179.1	-173.6	175.1	179.5	-179.2	0	113.6	D248 K249 L250	D248-K252 WeakPolarHBondContact O-CB 3.09Å; D248-K252 PolarHBondContact O-N 3Å; D248-K252 VanDerWaalsContact O-N 3.16Å; K249-K252 PolarHBondContact O-N 3.14Å; L250-K252 PolarHBondContact O-N 3Å
253	H	82.3	Confident	83.5	Confident	84 Å²	84	52 Å²	52	39%	0.389	26%	0.26	S	S	.	.	H	α-helix	trans	-122.7	-4.7	-165.6	-65.2	-71.7	0	0	0	115.1	K249 L250 V340	K249-H253 WeakPolarHBondContact O-CB 3.47Å; K249-H253 PolarHBondContact O-CD2 3.11Å; K249-H253 PolarHBondContact O-N 3.38Å; L250-H253 PolarHBondContact O-N 3.31Å; H253-V340 HydrophobicContact CB-CG1 3.94Å
254	C	81.4	Confident	83.7	Confident	15 Å²	15	56.1 Å²	56.1	10%	0.101	28%	0.281	C	S	.	.			trans	-127.3	141.6	-177.7	-56.8	0	0	0	0	111.1	L250 M259	L250-C254 WeakPolarHBondContact O-CB 3.47Å; L250-C254 PolarHBondContact O-N 3.33Å; C254-M259 HydrophobicContact CB-CG 3.94Å
255	S	84	Confident	83.7	Confident	50 Å²	50	56.9 Å²	56.9	35%	0.35	30%	0.296	S	S	.	.			trans	-74.9	161	171.1	98	0	0	0	0	110.8	N257 D258 M259	S255-N257 PolarHBondContact O-N 3.28Å; S255-N257 PolarHBondContact OG-N 3.4Å; S255-D258 WeakPolarHBondContact CB-OD2 3.47Å; S255-D258 PolarHBondContact N-OD2 3.23Å; S255-D258 PolarHBondContact O-N 3.47Å; S255-D258 PolarHBondContact OG-N 3.13Å; S255-D258 PolarHBondContact OG-OD1 3.43Å; S255-D258 PolarHBondContact OG-OD2 3.38Å; S255-M259 WeakPolarHBondContact O-CG 3.47Å; S255-M259 PolarHBondContact O-N 2.67Å; S255-M259 VanDerWaalsContact O-N 3.13Å
256	V	82.2	Confident	83.8	Confident	49 Å²	49	56.4 Å²	56.4	30%	0.297	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-31	176.3	-177.7	0	0	0	0	111.9	M259 K260 E274	V256-M259 HydrophobicContact CB-CE 4.38Å; V256-M259 HydrophobicContact CG2-CE 4.13Å; V256-K260 WeakPolarHBondContact O-CG 3.41Å; V256-K260 PolarHBondContact O-N 2.8Å; V256-E274 HydrophobicContact CG2-CG 3.84Å
257	N	83.1	Confident	83.6	Confident	98 Å²	98	58.7 Å²	58.7	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-74.7	-41.7	178.3	-70.1	-18.7	0	0	0	111.1	S255 M259 K260 E261	S255-N257 PolarHBondContact O-N 3.28Å; S255-N257 PolarHBondContact OG-N 3.4Å; N257-M259 PolarHBondContact O-N 3.06Å; N257-K260 WeakPolarHBondContact O-CB 3.49Å; N257-K260 PolarHBondContact O-N 2.94Å; N257-E261 PolarHBondContact O-N 3.43Å
258	D	84.1	Confident	83.6	Confident	48 Å²	48	58.6 Å²	58.6	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-41.6	176.2	-45	-10.4	0	0	0	110.7	S255 K260 E261 L262 F337	S255-D258 WeakPolarHBondContact CB-OD2 3.47Å; S255-D258 PolarHBondContact N-OD2 3.23Å; S255-D258 PolarHBondContact O-N 3.47Å; S255-D258 PolarHBondContact OG-N 3.13Å; S255-D258 PolarHBondContact OG-OD1 3.43Å; S255-D258 PolarHBondContact OG-OD2 3.38Å; D258-K260 VanDerWaalsContact C-N 3.31Å; D258-K260 PolarHBondContact O-N 3.1Å; D258-E261 PolarHBondContact O-N 2.76Å; D258-L262 WeakPolarHBondContact O-CB 3.37Å; D258-L262 WeakPolarHBondContact O-CG 3.46Å; D258-L262 PolarHBondContact O-N 3.13Å; D258-F337 HydrophobicContact CB-CD1 4.27Å; D258-F337 HydrophobicContact CB-CE1 3.86Å
259	M	83.4	Confident	83.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-32.6	177.1	-68.7	-172.5	-75	0	0	113.1	L250 C254 S255 V256 N257 L263 V277 L278 L281	L250-M259 HydrophobicContact CB-SD 4.1Å; C254-M259 HydrophobicContact CB-CG 3.94Å; S255-M259 WeakPolarHBondContact O-CG 3.47Å; S255-M259 PolarHBondContact O-N 2.67Å; S255-M259 VanDerWaalsContact O-N 3.13Å; V256-M259 HydrophobicContact CB-CE 4.38Å; V256-M259 HydrophobicContact CG2-CE 4.13Å; N257-M259 PolarHBondContact O-N 3.06Å; M259-L263 PolarHBondContact O-N 2.95Å; M259-V277 HydrophobicContact CB-CG1 3.74Å; M259-L278 HydrophobicContact CE-CD2 4.1Å; M259-L278 HydrophobicContact CE-CG 4.23Å; M259-L278 HydrophobicContact SD-CD2 3.32Å; M259-L278 WeakPolarHBondContact SD-CD2 3.36Å; M259-L278 HydrophobicContact SD-CG 3.89Å; M259-L281 HydrophobicContact CB-CD2 3.8Å; M259-L281 HydrophobicContact CG-CD2 3.8Å
260	K	85.9	Confident	83.5	Confident	75 Å²	75	58.1 Å²	58.1	33%	0.326	32%	0.317	S	S	.	.	H	α-helix	trans	-72.2	-43.3	175.1	-66.5	173.2	-178.4	166.3	0	111.1	V256 N257 D258 L262 L263 I264 V270 V277	V256-K260 WeakPolarHBondContact O-CG 3.41Å; V256-K260 PolarHBondContact O-N 2.8Å; N257-K260 WeakPolarHBondContact O-CB 3.49Å; N257-K260 PolarHBondContact O-N 2.94Å; D258-K260 VanDerWaalsContact C-N 3.31Å; D258-K260 PolarHBondContact O-N 3.1Å; K260-L262 VanDerWaalsContact C-N 3.31Å; K260-L262 PolarHBondContact O-N 3.29Å; K260-L263 WeakPolarHBondContact O-CB 3.4Å; K260-L263 PolarHBondContact O-N 3.18Å; K260-I264 WeakPolarHBondContact O-CG1 3.47Å; K260-I264 PolarHBondContact O-N 3.16Å; K260-V270 HydrophobicContact CB-CG1 4.05Å; K260-V270 HydrophobicContact CB-CG2 4.21Å; K260-V270 HydrophobicContact CD-CG1 4.01Å; K260-V270 HydrophobicContact CG-CG1 3.59Å; K260-V277 HydrophobicContact CG-CG1 4.45Å
261	E	84.6	Confident	83.3	Confident	107 Å²	107	59.8 Å²	59.8	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-37.4	178.5	-70.1	178.6	-173.3	0	0	111.8	N257 D258 L263 I264 A265 F337	N257-E261 PolarHBondContact O-N 3.43Å; D258-E261 PolarHBondContact O-N 2.76Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.28Å; E261-I264 PolarHBondContact O-N 2.68Å; E261-A265 WeakPolarHBondContact O-CB 3.43Å; E261-A265 PolarHBondContact O-N 3Å; E261-F337 HydrophobicContact CB-CE1 4.45Å; E261-F337 HydrophobicContact CB-CZ 3.67Å; E261-F337 WeakPolarHBondContact OE2-CZ 3.33Å
262	L	84.1	Confident	83	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-36.7	173.1	-76.8	170.4	0	0	0	113.3	D258 K260 N266 L281 V333 F337 L343	D258-L262 WeakPolarHBondContact O-CB 3.37Å; D258-L262 WeakPolarHBondContact O-CG 3.46Å; D258-L262 PolarHBondContact O-N 3.13Å; K260-L262 VanDerWaalsContact C-N 3.31Å; K260-L262 PolarHBondContact O-N 3.29Å; L262-N266 PolarHBondContact O-N 2.95Å; L262-N266 PolarHBondContact O-ND2 2.94Å; L262-L281 HydrophobicContact CB-CD1 3.97Å; L262-L281 HydrophobicContact CB-CD2 4.35Å; L262-L281 HydrophobicContact CD1-CD2 4.19Å; L262-V333 HydrophobicContact CD2-CG1 4.5Å; L262-F337 HydrophobicContact CD2-CB 4.3Å; L262-F337 HydrophobicContact CD2-CD1 4.37Å; L262-F337 HydrophobicContact CD2-CD2 3.58Å; L262-F337 HydrophobicContact CD2-CE2 3.98Å; L262-F337 HydrophobicContact CD2-CG 3.81Å; L262-F337 HydrophobicContact CG-CD1 4.29Å; L262-F337 HydrophobicContact CG-CD2 4.22Å; L262-F337 HydrophobicContact CG-CE1 4.36Å; L262-F337 HydrophobicContact CG-CE2 4.27Å; L262-F337 HydrophobicContact CG-CG 4.23Å; L262-F337 HydrophobicContact CG-CZ 4.36Å; L262-L343 HydrophobicContact CD1-CD1 3.94Å
263	L	84.8	Confident	82.7	Confident	2 Å²	2	53 Å²	53	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-67.2	-46.6	173.7	-73.7	172.6	0	0	0	111.1	M259 K260 E261 A265 N266 G267 Q268 V270 V277 L281	M259-L263 PolarHBondContact O-N 2.95Å; K260-L263 WeakPolarHBondContact O-CB 3.4Å; K260-L263 PolarHBondContact O-N 3.18Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.28Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 2.58Å; L263-N266 CarbonylContact O-C 3.46Å; L263-N266 PolarHBondContact O-N 3.17Å; L263-N266 VanDerWaalsContact O-N 3.11Å; L263-G267 PolarHBondContact O-N 3.43Å; L263-Q268 HydrophobicContact CB-CB 4.22Å; L263-Q268 HydrophobicContact CD2-CB 3.99Å; L263-Q268 HydrophobicContact CD2-CG 4.35Å; L263-Q268 WeakPolarHBondContact O-CB 3.29Å; L263-Q268 PolarHBondContact O-N 3.14Å; L263-V270 HydrophobicContact CB-CG2 4.41Å; L263-V277 HydrophobicContact CD1-CG1 3.93Å; L263-L281 HydrophobicContact CD2-CB 4.01Å; L263-L281 HydrophobicContact CD2-CD1 4.02Å; L263-L281 HydrophobicContact CG-CB 4.28Å; L263-L281 HydrophobicContact CG-CD1 4.24Å
264	I	85.3	Confident	82.6	Confident	108 Å²	108	53.4 Å²	53.4	55%	0.554	32%	0.321	S	S	*	.	H	α-helix	trans	-60.3	-43.6	178.7	-65	166.4	0	0	0	110.8	K260 E261 N266 G267 V270	K260-I264 WeakPolarHBondContact O-CG1 3.47Å; K260-I264 PolarHBondContact O-N 3.16Å; E261-I264 PolarHBondContact O-N 2.68Å; I264-N266 PolarHBondContact O-N 3.49Å; I264-G267 PolarHBondContact O-N 3.43Å; I264-V270 HydrophobicContact CD1-CG2 3.94Å; I264-V270 HydrophobicContact CG1-CG2 3.61Å
265	A	84.1	Confident	82.4	Confident	58 Å²	58	54.9 Å²	54.9	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-23.9	178.7	0	0	0	0	0	113.6	E261 L263 P334	E261-A265 WeakPolarHBondContact O-CB 3.43Å; E261-A265 PolarHBondContact O-N 3Å; L263-A265 VanDerWaalsContact C-N 3.33Å; L263-A265 PolarHBondContact O-N 2.58Å; A265-P334 HydrophobicContact CB-CG 3.52Å
266	N	84.1	Confident	82.2	Confident	20 Å²	20	54.4 Å²	54.4	11%	0.107	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	14.9	175.8	-75.2	-87.9	0	0	0	112.9	L262 L263 I264 Q268 A289 F331 V332	L262-N266 PolarHBondContact O-N 2.95Å; L262-N266 PolarHBondContact O-ND2 2.94Å; L263-N266 CarbonylContact O-C 3.46Å; L263-N266 PolarHBondContact O-N 3.17Å; L263-N266 VanDerWaalsContact O-N 3.11Å; I264-N266 PolarHBondContact O-N 3.49Å; N266-Q268 HydrophobicContact CB-CG 4.31Å; N266-Q268 PolarHBondContact O-N 2.67Å; N266-Q268 PolarHBondContact O-NE2 3.17Å; N266-A289 HydrophobicContact CB-CB 4.09Å; N266-F331 HydrophobicContact CB-CD2 4.46Å; N266-F331 HydrophobicContact CB-CE2 4.21Å; N266-F331 WeakPolarHBondContact ND2-CZ 3.4Å; N266-V332 PolarHBondContact ND2-O 2.86Å; N266-V332 PolarHBondContact OD1-N 2.9Å; N266-V332 PolarHBondContact OD1-O 3.14Å
267	G	79.9	Confident	82.3	Confident	58 Å²	58	52.1 Å²	52.1	60%	0.598	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	31.6	179.7	0	0	0	0	0	113.4	L263 I264	L263-G267 PolarHBondContact O-N 3.43Å; I264-G267 PolarHBondContact O-N 3.43Å
268	Q	83.6	Confident	82.3	Confident	19 Å²	19	48.2 Å²	48.2	9%	0.089	29%	0.29	C	S	.	.			trans	-103	143.3	175.9	-56.1	-61.9	-78	0	0	110.7	L263 N266 L290	L263-Q268 HydrophobicContact CB-CB 4.22Å; L263-Q268 HydrophobicContact CD2-CB 3.99Å; L263-Q268 HydrophobicContact CD2-CG 4.35Å; L263-Q268 WeakPolarHBondContact O-CB 3.29Å; L263-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 HydrophobicContact CB-CG 4.31Å; N266-Q268 PolarHBondContact O-N 2.67Å; N266-Q268 PolarHBondContact O-NE2 3.17Å; Q268-L290 PolarHBondContact NE2-O 3.29Å
269	D	82.6	Confident	82.2	Confident	105 Å²	105	48.6 Å²	48.6	56%	0.561	29%	0.293	S	S	*	.			trans	-65.9	144.6	173	-74.9	-20	0	0	0	111.8	P271 Q299	D269-P271 WeakPolarHBondContact O-CD 3.48Å; D269-Q299 HydrophobicContact CB-CB 4.03Å; D269-Q299 HydrophobicContact CB-CG 4.13Å; D269-Q299 WeakPolarHBondContact OD2-CB 3.45Å
270	V	82.3	Confident	82.2	Confident	58 Å²	58	50.1 Å²	50.1	35%	0.352	30%	0.303	S	S	.	.			trans	-88.1	109.4	177.3	178.8	0	0	0	0	110.2	K260 L263 I264 V277	K260-V270 HydrophobicContact CB-CG1 4.05Å; K260-V270 HydrophobicContact CB-CG2 4.21Å; K260-V270 HydrophobicContact CD-CG1 4.01Å; K260-V270 HydrophobicContact CG-CG1 3.59Å; L263-V270 HydrophobicContact CB-CG2 4.41Å; I264-V270 HydrophobicContact CD1-CG2 3.94Å; I264-V270 HydrophobicContact CG1-CG2 3.61Å; V270-V277 HydrophobicContact CG1-CG2 4.42Å
271	P	80.1	Confident	82.2	Confident	36 Å²	36	46.6 Å²	46.6	23%	0.234	29%	0.288	C	S	.	.			trans	-73.1	153.5	179.1	31.5	-36.5	0	0	0	111.7	D269 N276 V277	D269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-N276 HydrophobicContact CB-CB 3.88Å; P271-N276 HydrophobicContact CG-CB 4.03Å; P271-N276 WeakPolarHBondContact CG-O 3.49Å; P271-V277 HydrophobicContact CG-CB 4.42Å; P271-V277 HydrophobicContact CG-CG2 3.91Å; P271-V277 VanDerWaalsContact O-CG2 3.29Å; P271-V277 WeakPolarHBondContact O-CG2 3.32Å
272	S	76.9	Confident	82.2	Confident	85 Å²	85	41.5 Å²	41.5	59%	0.594	26%	0.264	S	S	*	.	S	Bend	trans	-73.7	130.7	174.4	-173	0	0	0	0	111.1	M1 N276	M1-S272 WeakPolarHBondContact CE-O 3.02Å; M1-S272 WeakPolarHBondContact CE-OG 3.2Å; S272-N276 PolarHBondContact O-ND2 3.05Å
273	G	77.8	Confident	82.3	Confident	36 Å²	36	42 Å²	42	37%	0.371	27%	0.267	S	S	.	.	S	Bend	trans	94.2	134.9	175.8	0	0	0	0	0	114.3	S275 N276 V277	G273-S275 VanDerWaalsContact C-N 3.34Å; G273-S275 PolarHBondContact O-N 2.99Å; G273-N276 PolarHBondContact O-N 2.87Å; G273-V277 PolarHBondContact O-N 2.94Å; G273-V277 VanDerWaalsContact O-N 3.15Å
274	E	80	Confident	82.2	Confident	93 Å²	93	42 Å²	42	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-53.2	-43.6	-174.6	-175.4	-175.6	176.1	0	0	113.8	V256 N276 V277 L278	V256-E274 HydrophobicContact CG2-CG 3.84Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 3.13Å; E274-V277 PolarHBondContact O-N 3.16Å; E274-L278 HydrophobicContact CG-CD1 4.28Å; E274-L278 PolarHBondContact O-N 2.98Å
275	S	78.2	Confident	82.1	Confident	46 Å²	46	37 Å²	37	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-42.5	177.1	-175.2	0	0	0	0	112.4	G273 V277 L278 D279	G273-S275 VanDerWaalsContact C-N 3.34Å; G273-S275 PolarHBondContact O-N 2.99Å; S275-V277 VanDerWaalsContact C-N 3.35Å; S275-L278 WeakPolarHBondContact O-CB 3.43Å; S275-L278 PolarHBondContact O-N 3.45Å; S275-D279 WeakPolarHBondContact O-CB 3.38Å; S275-D279 PolarHBondContact O-N 3.33Å; S275-D279 VanDerWaalsContact O-OD2 3.09Å
276	N	79.5	Confident	82.1	Confident	39 Å²	39	34.4 Å²	34.4	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-73.3	-33.2	-176.3	-62.1	-13.6	0	0	0	110.9	P271 S272 G273 E274 D279 S280	P271-N276 HydrophobicContact CB-CB 3.88Å; P271-N276 HydrophobicContact CG-CB 4.03Å; P271-N276 WeakPolarHBondContact CG-O 3.49Å; S272-N276 PolarHBondContact O-ND2 3.05Å; G273-N276 PolarHBondContact O-N 2.87Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 3.13Å; N276-D279 PolarHBondContact O-N 3.17Å; N276-S280 WeakPolarHBondContact O-CB 3.34Å; N276-S280 PolarHBondContact O-N 3.41Å; N276-S280 PolarHBondContact O-OG 2.73Å
277	V	83.8	Confident	82.1	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-48.6	172.3	173.9	0	0	0	0	109.8	M259 K260 L263 V270 P271 G273 E274 S275 D279 S280 L281	M259-V277 HydrophobicContact CB-CG1 3.74Å; K260-V277 HydrophobicContact CG-CG1 4.45Å; L263-V277 HydrophobicContact CD1-CG1 3.93Å; V270-V277 HydrophobicContact CG1-CG2 4.42Å; P271-V277 HydrophobicContact CG-CB 4.42Å; P271-V277 HydrophobicContact CG-CG2 3.91Å; P271-V277 VanDerWaalsContact O-CG2 3.29Å; P271-V277 WeakPolarHBondContact O-CG2 3.32Å; G273-V277 PolarHBondContact O-N 2.94Å; G273-V277 VanDerWaalsContact O-N 3.15Å; E274-V277 PolarHBondContact O-N 3.16Å; S275-V277 VanDerWaalsContact C-N 3.35Å; V277-D279 VanDerWaalsContact C-N 3.34Å; V277-D279 PolarHBondContact O-N 2.87Å; V277-S280 PolarHBondContact O-N 3.16Å; V277-L281 VanDerWaalsContact O-CB 3.26Å; V277-L281 WeakPolarHBondContact O-CB 3.3Å; V277-L281 PolarHBondContact O-N 3.01Å
278	L	83.9	Confident	82.3	Confident	16 Å²	16	31 Å²	31	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-44.3	175.4	-80.6	165.2	0	0	0	112.3	L250 M259 E274 S275 A282	L250-L278 HydrophobicContact CB-CD2 3.7Å; L250-L278 HydrophobicContact CD1-CD2 4.42Å; M259-L278 HydrophobicContact CE-CD2 4.1Å; M259-L278 HydrophobicContact CE-CG 4.23Å; M259-L278 HydrophobicContact SD-CD2 3.32Å; M259-L278 WeakPolarHBondContact SD-CD2 3.36Å; M259-L278 HydrophobicContact SD-CG 3.89Å; E274-L278 HydrophobicContact CG-CD1 4.28Å; E274-L278 PolarHBondContact O-N 2.98Å; S275-L278 WeakPolarHBondContact O-CB 3.43Å; S275-L278 PolarHBondContact O-N 3.45Å; L278-A282 WeakPolarHBondContact O-CB 3.15Å; L278-A282 PolarHBondContact O-N 3.09Å
279	D	82.3	Confident	82.4	Confident	57 Å²	57	30.3 Å²	30.3	31%	0.305	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-45.1	-179.7	-66.4	-28.1	0	0	0	111.9	K247 S275 N276 V277 D283	K247-D279 WeakPolarHBondContact CE-OD1 3.12Å; K247-D279 IonicContact NZ-OD1 2.86Å; K247-D279 PolarHBondContact NZ-OD1 2.96Å; S275-D279 WeakPolarHBondContact O-CB 3.38Å; S275-D279 PolarHBondContact O-N 3.33Å; S275-D279 VanDerWaalsContact O-OD2 3.09Å; N276-D279 PolarHBondContact O-N 3.17Å; V277-D279 VanDerWaalsContact C-N 3.34Å; V277-D279 PolarHBondContact O-N 2.87Å; D279-D283 PolarHBondContact O-N 3.35Å; D279-D283 VanDerWaalsContact O-N 3.08Å
280	S	83.6	Confident	82.5	Confident	33 Å²	33	25.9 Å²	25.9	23%	0.231	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-42	-179.2	-53.8	0	0	0	0	111.8	N276 V277 D283 G284	N276-S280 WeakPolarHBondContact O-CB 3.34Å; N276-S280 PolarHBondContact O-N 3.41Å; N276-S280 PolarHBondContact O-OG 2.73Å; V277-S280 PolarHBondContact O-N 3.16Å; S280-D283 PolarHBondContact O-N 3.5Å; S280-G284 PolarHBondContact O-N 3.44Å
281	L	84.9	Confident	82.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-42	178.3	-176.7	60	0	0	0	111.5	L250 M259 L262 L263 V277 D283 G284 M285 F331	L250-L281 HydrophobicContact CD1-CB 4.43Å; L250-L281 HydrophobicContact CD1-CD2 3.91Å; L250-L281 HydrophobicContact CD1-CG 3.99Å; L250-L281 HydrophobicContact CD2-CD2 3.99Å; M259-L281 HydrophobicContact CB-CD2 3.8Å; M259-L281 HydrophobicContact CG-CD2 3.8Å; L262-L281 HydrophobicContact CB-CD1 3.97Å; L262-L281 HydrophobicContact CB-CD2 4.35Å; L262-L281 HydrophobicContact CD1-CD2 4.19Å; L263-L281 HydrophobicContact CD2-CB 4.01Å; L263-L281 HydrophobicContact CD2-CD1 4.02Å; L263-L281 HydrophobicContact CG-CB 4.28Å; L263-L281 HydrophobicContact CG-CD1 4.24Å; V277-L281 VanDerWaalsContact O-CB 3.26Å; V277-L281 WeakPolarHBondContact O-CB 3.3Å; V277-L281 PolarHBondContact O-N 3.01Å; L281-D283 VanDerWaalsContact C-N 3.28Å; L281-D283 PolarHBondContact O-N 3.36Å; L281-G284 PolarHBondContact O-N 3.34Å; L281-M285 HydrophobicContact CD1-CG 4.28Å; L281-M285 HydrophobicContact CD1-SD 4.44Å; L281-M285 HydrophobicContact CG-CG 4.47Å; L281-M285 HydrophobicContact CG-SD 4.22Å; L281-M285 WeakPolarHBondContact O-CB 3.4Å; L281-M285 WeakPolarHBondContact O-CG 3.47Å; L281-M285 PolarHBondContact O-N 3.28Å; L281-F331 HydrophobicContact CD1-CE2 3.9Å; L281-F331 HydrophobicContact CD1-CZ 3.56Å
282	A	85.4	Confident	82.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-36	175.8	0	0	0	0	0	112.1	I243 I246 K247 L278 A286	I243-A282 HydrophobicContact CG2-CB 4.41Å; I246-A282 HydrophobicContact CB-CB 4.47Å; I246-A282 HydrophobicContact CG2-CB 4Å; K247-A282 HydrophobicContact CD-CB 4.48Å; K247-A282 HydrophobicContact CG-CB 3.59Å; L278-A282 WeakPolarHBondContact O-CB 3.15Å; L278-A282 PolarHBondContact O-N 3.09Å; A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.47Å
283	D	85.1	Confident	82.8	Confident	11 Å²	11	24.7 Å²	24.7	6%	0.059	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-47.4	172.9	-162.8	80.1	0	0	0	112	D279 S280 L281 M285 A286 F287 R328 R353	D279-D283 PolarHBondContact O-N 3.35Å; D279-D283 VanDerWaalsContact O-N 3.08Å; S280-D283 PolarHBondContact O-N 3.5Å; L281-D283 VanDerWaalsContact C-N 3.28Å; L281-D283 PolarHBondContact O-N 3.36Å; D283-M285 PolarHBondContact O-N 2.96Å; D283-A286 PolarHBondContact O-N 3.24Å; D283-F287 PolarHBondContact O-N 3.28Å; D283-R328 IonicContact OD2-CZ 2.73Å; D283-R328 IonicContact OD2-NH1 3.21Å; D283-R328 PolarHBondContact OD2-NH1 2.73Å; D283-R328 IonicContact OD2-NH2 3.46Å; D283-R328 PolarHBondContact OD2-NH2 3.38Å; D283-R353 IonicContact OD1-CZ 3.98Å; D283-R353 VanDerWaalsContact OD1-CZ 3.26Å; D283-R353 IonicContact OD1-NH1 3.33Å; D283-R353 PolarHBondContact OD1-NH1 3.32Å; D283-R353 IonicContact OD1-NH2 2.85Å; D283-R353 PolarHBondContact OD1-NH2 3.07Å; D283-R353 VanDerWaalsContact OD1-NH2 3.09Å
284	G	83.8	Confident	82.8	Confident	3 Å²	3	31.3 Å²	31.3	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-46.6	176.8	0	0	0	0	0	112.3	S280 L281 G288 F331	S280-G284 PolarHBondContact O-N 3.44Å; L281-G284 PolarHBondContact O-N 3.34Å; G284-G288 WeakPolarHBondContact CA-O 3.21Å; G284-G288 CarbonylContact O-C 3.56Å; G284-G288 VanDerWaalsContact O-C 3.24Å; G284-G288 WeakPolarHBondContact O-CA 3.36Å; G284-G288 PolarHBondContact O-N 3.32Å; G284-F331 WeakPolarHBondContact O-CD2 3.39Å
285	M	83.1	Confident	82.6	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-35.9	177.6	-69	-176.4	82	0	0	112.5	I246 L250 L281 D283 F331 F342 L343 F346	I246-M285 HydrophobicContact CD1-CB 4.3Å; I246-M285 HydrophobicContact CG2-CB 4.24Å; I246-M285 HydrophobicContact CG2-SD 3.94Å; L250-M285 HydrophobicContact CD1-SD 4.08Å; L250-M285 HydrophobicContact CD2-SD 4.03Å; L250-M285 HydrophobicContact CG-SD 4.43Å; L281-M285 HydrophobicContact CD1-CG 4.28Å; L281-M285 HydrophobicContact CD1-SD 4.44Å; L281-M285 HydrophobicContact CG-CG 4.47Å; L281-M285 HydrophobicContact CG-SD 4.22Å; L281-M285 WeakPolarHBondContact O-CB 3.4Å; L281-M285 WeakPolarHBondContact O-CG 3.47Å; L281-M285 PolarHBondContact O-N 3.28Å; D283-M285 PolarHBondContact O-N 2.96Å; M285-F331 HydrophobicContact CG-CD1 3.93Å; M285-F331 HydrophobicContact CG-CD2 4.37Å; M285-F331 HydrophobicContact CG-CE1 3.57Å; M285-F331 HydrophobicContact CG-CE2 4.02Å; M285-F331 HydrophobicContact CG-CG 4.33Å; M285-F331 HydrophobicContact CG-CZ 3.62Å; M285-F342 HydrophobicContact CE-CE1 4.17Å; M285-F342 HydrophobicContact CE-CZ 4.19Å; M285-L343 HydrophobicContact CE-CD2 3.74Å; M285-F346 HydrophobicContact CB-CE1 4.4Å; M285-F346 HydrophobicContact CB-CZ 3.89Å; M285-F346 HydrophobicContact CE-CD1 3.85Å; M285-F346 HydrophobicContact CE-CD2 3.83Å; M285-F346 HydrophobicContact CE-CE1 3.85Å; M285-F346 HydrophobicContact CE-CE2 3.84Å; M285-F346 HydrophobicContact CE-CG 3.85Å; M285-F346 HydrophobicContact CE-CZ 3.85Å; M285-F346 HydrophobicContact CG-CZ 4.47Å; M285-F346 WeakPolarHBondContact O-CZ 3.32Å
286	A	82.9	Confident	82.4	Confident	3 Å²	3	31.5 Å²	31.5	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-76.9	-34	-177.6	0	0	0	0	0	113.6	L242 I243 I246 A282 D283 Q351	L242-A286 HydrophobicContact CD2-CB 4.34Å; I243-A286 HydrophobicContact CG1-CB 4.31Å; I246-A286 HydrophobicContact CD1-CB 3.98Å; A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.47Å; D283-A286 PolarHBondContact O-N 3.24Å; A286-Q351 WeakPolarHBondContact O-CG 3.44Å; A286-Q351 PolarHBondContact O-NE2 2.94Å
287	F	84.9	Confident	82.3	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-129.6	-11.8	-169.4	-53.9	-68.7	0	0	0	114.8	Q239 I243 D283 R328 Q351 R353	Q239-F287 HydrophobicContact CG-CE1 4.25Å; Q239-F287 HydrophobicContact CG-CZ 3.7Å; I243-F287 HydrophobicContact CD1-CE2 3.85Å; I243-F287 HydrophobicContact CD1-CZ 4Å; I243-F287 HydrophobicContact CG1-CE2 4.2Å; I243-F287 HydrophobicContact CG1-CZ 4.36Å; D283-F287 PolarHBondContact O-N 3.28Å; F287-R328 WeakPolarHBondContact O-CD 3.41Å; F287-Q351 HydrophobicContact CD1-CG 4.01Å; F287-Q351 WeakPolarHBondContact CD1-O 3.22Å; F287-Q351 HydrophobicContact CE1-CG 4.33Å; F287-R353 HydrophobicContact CD1-CB 4.43Å; F287-R353 HydrophobicContact CE1-CB 4.19Å; F287-R353 HydrophobicContact CE1-CG 4.32Å; F287-R353 HydrophobicContact CE2-CG 4.33Å; F287-R353 HydrophobicContact CZ-CB 4.32Å; F287-R353 HydrophobicContact CZ-CG 3.99Å
288	G	84.7	Confident	82.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.			trans	114.5	161.6	-179.1	0	0	0	0	0	112.3	G284 R328 K329 F348	G284-G288 WeakPolarHBondContact CA-O 3.21Å; G284-G288 CarbonylContact O-C 3.56Å; G284-G288 VanDerWaalsContact O-C 3.24Å; G284-G288 WeakPolarHBondContact O-CA 3.36Å; G284-G288 PolarHBondContact O-N 3.32Å; G288-R328 PolarHBondContact O-NH1 3.46Å; G288-K329 CarbonylContact C-O 3.54Å; G288-K329 VanDerWaalsContact CA-O 3.25Å; G288-K329 WeakPolarHBondContact CA-O 3.36Å; G288-F348 VanDerWaalsContact CA-CZ 3.49Å; G288-F348 VanDerWaalsContact N-CE2 3.28Å
289	A	83.9	Confident	82.1	Confident	5 Å²	5	38.6 Å²	38.6	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134	175.6	0	0	0	0	0	110.8	N266 R328 K329	N266-A289 HydrophobicContact CB-CB 4.09Å; A289-R328 CarbonylContact O-C 3.43Å; A289-R328 WeakPolarHBondContact O-CA 3.47Å; A289-R328 WeakPolarHBondContact O-CB 3.48Å; A289-K329 PolarHBondContact N-O 3.04Å; A289-K329 PolarHBondContact O-N 2.83Å
290	L	85.1	Confident	82.1	Confident	12 Å²	12	36.2 Å²	36.2	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.2	-178.1	-71.8	162	0	0	0	111	Q268 L300 Y307 P326 R328	Q268-L290 PolarHBondContact NE2-O 3.29Å; L290-L300 HydrophobicContact CB-CB 4.49Å; L290-L300 HydrophobicContact CD1-CB 4.23Å; L290-L300 WeakPolarHBondContact CD1-O 3.23Å; L290-Y307 HydrophobicContact CD1-CD1 4Å; L290-Y307 HydrophobicContact CD1-CE1 4.12Å; L290-Y307 HydrophobicContact CD2-CD1 4.02Å; L290-Y307 HydrophobicContact CD2-CE1 4.03Å; L290-P326 HydrophobicContact CD2-CB 3.53Å; L290-P326 HydrophobicContact CD2-CG 3.4Å; L290-P326 VanDerWaalsContact CD2-CG 3.4Å; L290-R328 HydrophobicContact CD2-CG 3.97Å; L290-R328 VanDerWaalsContact CD2-CZ 3.41Å
291	E	83.4	Confident	82	Confident	76 Å²	76	36.4 Å²	36.4	36%	0.355	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-75.8	156.9	168.7	-65.2	-169.5	157	0	0	111.6	S327 K329	E291-S327 PolarHBondContact N-O 3.21Å; E291-S327 WeakPolarHBondContact OE2-CB 3.47Å; E291-K329 HydrophobicContact CG-CG 4.28Å; E291-K329 VanDerWaalsContact OE1-CE 3.28Å; E291-K329 WeakPolarHBondContact OE1-CE 3.34Å
292	C	81.3	Confident	81.8	Confident	76 Å²	76	38 Å²	38	51%	0.514	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-58.8	151.1	176.1	-60.1	0	0	0	0	111.8	K294 K297	C292-K294 PolarHBondContact O-N 2.93Å; C292-K297 WeakPolarHBondContact CB-O 3.46Å
293	C	80.6	Confident	81.1	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.02	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-57.9	136.1	174.8	-178.8	0	0	0	0	111.1	E295 K297 G298 L300 C309	C293-E295 VanDerWaalsContact C-N 3.28Å; C293-E295 PolarHBondContact O-N 2.82Å; C293-E295 PolarHBondContact SG-N 3.37Å; C293-K297 WeakPolarHBondContact O-CA 3.45Å; C293-K297 PolarHBondContact O-N 3.34Å; C293-G298 WeakPolarHBondContact CB-O 3.17Å; C293-G298 PolarHBondContact N-O 3.48Å; C293-L300 HydrophobicContact CB-CD2 4.16Å; C293-C309 HydrophobicContact CB-CB 4.23Å; C293-C309 WeakPolarHBondContact CB-SG 3.32Å; C293-C309 VanDerWaalsContact SG-SG 3.66Å
294	K	78.2	Confident	80.2	Confident	174 Å²	174	41.5 Å²	41.5	76%	0.757	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.1	-179.5	-63.1	-176.7	-179.2	-178.8	0	113.1	C292	C292-K294 PolarHBondContact O-N 2.93Å
295	E	75.9	Confident	79.5	Confident	112 Å²	112	43.8 Å²	43.8	52%	0.523	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-44.7	-177.4	-65.2	-176.9	-177.5	0	0	113	C293 F321	C293-E295 VanDerWaalsContact C-N 3.28Å; C293-E295 PolarHBondContact O-N 2.82Å; C293-E295 PolarHBondContact SG-N 3.37Å; E295-F321 HydrophobicContact CG-CD2 4.1Å; E295-F321 WeakPolarHBondContact OE1-CD2 3.1Å
296	C	73.4	Confident	79.3	Confident	31 Å²	31	44.5 Å²	44.5	21%	0.209	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	5.6	-173.5	71.9	0	0	0	0	114.8	G298 C309 D312 C319	C296-G298 PolarHBondContact O-N 2.93Å; C296-G298 PolarHBondContact SG-N 2.95Å; C296-G298 VanDerWaalsContact SG-N 3.45Å; C296-C309 PolarHBondContact SG-SG 3.27Å; C296-D312 WeakPolarHBondContact CB-O 3.27Å; C296-C319 HydrophobicContact CB-CB 4.26Å; C296-C319 VanDerWaalsContact SG-CB 3.51Å; C296-C319 VanDerWaalsContact SG-SG 3.6Å
297	K	79.1	Confident	79.2	Confident	179 Å²	179	44.5 Å²	44.5	78%	0.778	23%	0.228	S	C	*	.			trans	58.6	7.6	-174.1	-56.2	179.4	-179	176.7	0	115.3	C292 C293	C292-K297 WeakPolarHBondContact CB-O 3.46Å; C293-K297 WeakPolarHBondContact O-CA 3.45Å; C293-K297 PolarHBondContact O-N 3.34Å
298	G	77.6	Confident	79	Confident	11 Å²	11	45.7 Å²	45.7	11%	0.113	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-73.3	163.5	176.3	0	0	0	0	0	113.9	C293 C296	C293-G298 WeakPolarHBondContact CB-O 3.17Å; C293-G298 PolarHBondContact N-O 3.48Å; C296-G298 PolarHBondContact O-N 2.93Å; C296-G298 PolarHBondContact SG-N 2.95Å; C296-G298 VanDerWaalsContact SG-N 3.45Å
299	Q	83.8	Confident	78.9	Confident	15 Å²	15	46 Å²	46	7%	0.07	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.9	141.8	177.7	-179.7	64.8	53.5	0	0	112.4	D269 V301 S310	D269-Q299 HydrophobicContact CB-CB 4.03Å; D269-Q299 HydrophobicContact CB-CG 4.13Å; D269-Q299 WeakPolarHBondContact OD2-CB 3.45Å; Q299-V301 HydrophobicContact CG-CG2 4.21Å; Q299-S310 PolarHBondContact O-N 3.5Å; Q299-S310 PolarHBondContact O-OG 3.32Å; Q299-S310 VanDerWaalsContact O-OG 3.04Å
300	L	83.4	Confident	78.6	Confident	7 Å²	7	49 Å²	49	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.6	168.6	-64	179.1	0	0	0	109.6	L290 C293 C309 F321 T323 P326	L290-L300 HydrophobicContact CB-CB 4.49Å; L290-L300 HydrophobicContact CD1-CB 4.23Å; L290-L300 WeakPolarHBondContact CD1-O 3.23Å; C293-L300 HydrophobicContact CB-CD2 4.16Å; L300-C309 HydrophobicContact CD2-CB 3.93Å; L300-F321 HydrophobicContact CD2-CD1 3.86Å; L300-F321 HydrophobicContact CD2-CE1 4.14Å; L300-T323 HydrophobicContact CD1-CG2 4.41Å; L300-P326 HydrophobicContact CD1-CB 3.75Å
301	V	81.4	Confident	78.3	Confident	37 Å²	37	49 Å²	49	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131	178.5	-176.3	0	0	0	0	109.1	Q299 K303 Y307 Y308	Q299-V301 HydrophobicContact CG-CG2 4.21Å; V301-K303 HydrophobicContact CG1-CG 4.37Å; V301-Y307 WeakPolarHBondContact O-CA 3.3Å; V301-Y308 PolarHBondContact N-O 3.49Å; V301-Y308 PolarHBondContact O-N 3.01Å
302	F	79.9	Confident	78.1	Confident	35 Å²	35	47.9 Å²	47.9	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.1	173.6	-175.9	-105.9	0	0	0	111.1	G304 L306 Y307 R353 Y355	F302-G304 WeakPolarHBondContact CZ-O 3.42Å; F302-L306 WeakPolarHBondContact CD2-O 3.33Å; F302-Y307 HydrophobicContact CB-CD1 3.79Å; F302-Y307 HydrophobicContact CB-CE1 3.55Å; F302-Y307 HydrophobicContact CD2-CD1 4.26Å; F302-Y307 HydrophobicContact CD2-CD2 4.42Å; F302-Y307 AromaticContact CD2-CE1 3.95Å; F302-Y307 HydrophobicContact CD2-CE1 3.95Å; F302-Y307 HydrophobicContact CD2-CE2 4.19Å; F302-Y307 HydrophobicContact CD2-CG 4.44Å; F302-Y307 AromaticContact CD2-CZ 3.86Å; F302-Y307 HydrophobicContact CG-CE1 4.17Å; F302-R353 VanDerWaalsContact CB-NH1 3.34Å; F302-R353 VanDerWaalsContact CD1-NH1 3.29Å; F302-R353 VanDerWaalsContact CE2-CD 3.49Å; F302-R353 VanDerWaalsContact CZ-NE 3.3Å; F302-Y355 HydrophobicContact CE2-CE1 4.08Å
303	K	71.3	Confident	77.8	Confident	57 Å²	57	47.2 Å²	47.2	25%	0.248	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	118.9	171.9	-62.2	-173.6	-178	178.1	0	109.3	D3 V301 D305 L306 Y308	D3-K303 IonicContact OD1-NZ 2.73Å; D3-K303 PolarHBondContact OD1-NZ 3.49Å; V301-K303 HydrophobicContact CG1-CG 4.37Å; K303-D305 VanDerWaalsContact C-N 3.3Å; K303-D305 PolarHBondContact O-N 2.78Å; K303-L306 PolarHBondContact N-O 3.13Å; K303-L306 PolarHBondContact O-N 3.31Å; K303-Y308 HydrophobicContact CB-CD2 3.91Å; K303-Y308 HydrophobicContact CB-CE2 4.13Å; K303-Y308 VanDerWaalsContact O-CE2 3.3Å; K303-Y308 WeakPolarHBondContact O-CE2 3.32Å
304	G	66.8	Low	77.7	Confident	27 Å²	27	48.6 Å²	48.6	28%	0.278	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-79.1	172.8	0	0	0	0	0	114.4	S74 F302	S74-G304 WeakPolarHBondContact CB-O 3.37Å; S74-G304 WeakPolarHBondContact OG-CA 3.41Å; S74-G304 PolarHBondContact OG-O 3.31Å; F302-G304 WeakPolarHBondContact CZ-O 3.42Å
305	D	68.8	Low	77.7	Confident	50 Å²	50	41.6 Å²	41.6	27%	0.267	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.7	-18.1	-161	60.3	-25.9	0	0	0	113	K303 Y308 Y355	K303-D305 VanDerWaalsContact C-N 3.3Å; K303-D305 PolarHBondContact O-N 2.78Å; D305-Y308 PolarHBondContact OD1-OH 3.04Å; D305-Y355 WeakPolarHBondContact O-CD1 3.28Å; D305-Y355 WeakPolarHBondContact O-CE1 3.37Å
306	L	77.9	Confident	77.9	Confident	19 Å²	19	38.8 Å²	38.8	10%	0.099	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	163.5	-178.3	-63.7	173.1	0	0	0	111.6	F302 K303 Y308 K322 K324	F302-L306 WeakPolarHBondContact CD2-O 3.33Å; K303-L306 PolarHBondContact N-O 3.13Å; K303-L306 PolarHBondContact O-N 3.31Å; L306-Y308 HydrophobicContact CB-CD2 4.28Å; L306-Y308 HydrophobicContact CB-CE2 3.69Å; L306-Y308 WeakPolarHBondContact O-CD2 3.44Å; L306-K322 HydrophobicContact CD1-CB 4.31Å; L306-K322 HydrophobicContact CD1-CD 3.77Å; L306-K322 HydrophobicContact CD1-CG 4.13Å; L306-K324 HydrophobicContact CD2-CB 4.27Å; L306-K324 HydrophobicContact CD2-CD 4.02Å; L306-K324 HydrophobicContact CD2-CG 3.15Å
307	Y	81.8	Confident	78.2	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.6	161.4	-61.9	-89.7	0	0	0	108.5	L290 V301 F302 K322 T323 P326 R328 R353 Y355	L290-Y307 HydrophobicContact CD1-CD1 4Å; L290-Y307 HydrophobicContact CD1-CE1 4.12Å; L290-Y307 HydrophobicContact CD2-CD1 4.02Å; L290-Y307 HydrophobicContact CD2-CE1 4.03Å; V301-Y307 WeakPolarHBondContact O-CA 3.3Å; F302-Y307 HydrophobicContact CB-CD1 3.79Å; F302-Y307 HydrophobicContact CB-CE1 3.55Å; F302-Y307 HydrophobicContact CD2-CD1 4.26Å; F302-Y307 HydrophobicContact CD2-CD2 4.42Å; F302-Y307 AromaticContact CD2-CE1 3.95Å; F302-Y307 HydrophobicContact CD2-CE1 3.95Å; F302-Y307 HydrophobicContact CD2-CE2 4.19Å; F302-Y307 HydrophobicContact CD2-CG 4.44Å; F302-Y307 AromaticContact CD2-CZ 3.86Å; F302-Y307 HydrophobicContact CG-CE1 4.17Å; Y307-K322 CarbonylContact O-C 3.45Å; Y307-K322 WeakPolarHBondContact O-CA 3.32Å; Y307-T323 WeakPolarHBondContact CD2-O 3.49Å; Y307-T323 PolarHBondContact N-O 3.16Å; Y307-T323 PolarHBondContact O-N 2.93Å; Y307-P326 HydrophobicContact CD1-CG 4.1Å; Y307-P326 HydrophobicContact CD2-CB 4.23Å; Y307-P326 HydrophobicContact CD2-CG 3.41Å; Y307-P326 VanDerWaalsContact CD2-CG 3.41Å; Y307-P326 HydrophobicContact CE1-CG 4.15Å; Y307-P326 HydrophobicContact CE2-CG 3.4Å; Y307-P326 VanDerWaalsContact CE2-CG 3.4Å; Y307-P326 HydrophobicContact CG-CB 4.29Å; Y307-P326 HydrophobicContact CG-CG 3.77Å; Y307-R328 PolarHBondContact OH-NH2 2.93Å; Y307-R353 PolarHBondContact OH-NH1 3.06Å; Y307-Y355 WeakPolarHBondContact CE2-OH 3.5Å
308	Y	80.2	Confident	78.2	Confident	31 Å²	31	30.5 Å²	30.5	12%	0.122	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.1	176.5	-64.1	-95.3	0	0	0	108.8	V301 K303 D305 L306 K322	V301-Y308 PolarHBondContact N-O 3.49Å; V301-Y308 PolarHBondContact O-N 3.01Å; K303-Y308 HydrophobicContact CB-CD2 3.91Å; K303-Y308 HydrophobicContact CB-CE2 4.13Å; K303-Y308 VanDerWaalsContact O-CE2 3.3Å; K303-Y308 WeakPolarHBondContact O-CE2 3.32Å; D305-Y308 PolarHBondContact OD1-OH 3.04Å; L306-Y308 HydrophobicContact CB-CD2 4.28Å; L306-Y308 HydrophobicContact CB-CE2 3.69Å; L306-Y308 WeakPolarHBondContact O-CD2 3.44Å; Y308-K322 HydrophobicContact CD1-CB 4.05Å; Y308-K322 HydrophobicContact CE1-CB 4.22Å; Y308-K322 HydrophobicContact CE1-CD 4.14Å
309	C	82.9	Confident	78.3	Confident	7 Å²	7	30 Å²	30	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.5	167.9	-169.5	0	0	0	0	110.5	C293 C296 L300 G311 C319 F321	C293-C309 HydrophobicContact CB-CB 4.23Å; C293-C309 WeakPolarHBondContact CB-SG 3.32Å; C293-C309 VanDerWaalsContact SG-SG 3.66Å; C296-C309 PolarHBondContact SG-SG 3.27Å; L300-C309 HydrophobicContact CD2-CB 3.93Å; C309-G311 PolarHBondContact SG-N 3.23Å; C309-C319 HydrophobicContact CB-CB 3.94Å; C309-F321 HydrophobicContact CB-CB 4.12Å; C309-F321 PolarHBondContact N-O 3.34Å
310	S	78.4	Confident	78	Confident	67 Å²	67	32.2 Å²	32.2	47%	0.469	18%	0.184	S	C	.	.			trans	-98.2	0.6	171.7	59.6	0	0	0	0	113.5	Q299	Q299-S310 PolarHBondContact O-N 3.5Å; Q299-S310 PolarHBondContact O-OG 3.32Å; Q299-S310 VanDerWaalsContact O-OG 3.04Å
311	G	77.8	Confident	77.9	Confident	12 Å²	12	34.1 Å²	34.1	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-81.1	177.2	176.3	0	0	0	0	0	113.4	C309 C319	C309-G311 PolarHBondContact SG-N 3.23Å; G311-C319 WeakPolarHBondContact O-CB 3.32Å; G311-C319 PolarHBondContact O-N 2.96Å
312	D	79.4	Confident	77.9	Confident	54 Å²	54	37.7 Å²	37.7	29%	0.289	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-116.7	137	179.8	-55.3	-66.9	0	0	0	109.3	C296 S314 T317 P636	C296-D312 WeakPolarHBondContact CB-O 3.27Å; D312-S314 VanDerWaalsContact C-N 3.34Å; D312-S314 WeakPolarHBondContact CB-O 3.38Å; D312-T317 CarbonylContact C-O 3.13Å; D312-P636 HydrophobicContact CB-CB 4.45Å; D312-P636 HydrophobicContact CB-CG 4.35Å; D312-P636 VanDerWaalsContact OD2-CB 3.26Å; D312-P636 WeakPolarHBondContact OD2-CB 3.44Å
313	I	75.8	Confident	78	Confident	62 Å²	62	37.4 Å²	37.4	32%	0.318	21%	0.205	S	C	.	.	S	Bend	trans	-70.7	-38.4	173.9	-69.4	154.3	0	0	0	109.5	T317 C319 A728	I313-T317 HydrophobicContact CD1-CG2 4.38Å; I313-T317 PolarHBondContact N-O 3.2Å; I313-C319 HydrophobicContact CG1-CB 4.07Å; I313-A728 HydrophobicContact CD1-CB 3.81Å
314	S	77.9	Confident	78.4	Confident	32 Å²	32	39.2 Å²	39.2	22%	0.224	21%	0.213	C	C	.	.	S	Bend	trans	-146.4	176.6	177.8	86.2	0	0	0	0	109.2	D312 W316 T317 D732	D312-S314 VanDerWaalsContact C-N 3.34Å; D312-S314 WeakPolarHBondContact CB-O 3.38Å; S314-W316 PolarHBondContact O-N 3.07Å; S314-W316 VanDerWaalsContact O-N 3.07Å; S314-W316 WeakPolarHBondContact OG-CB 3.38Å; S314-W316 PolarHBondContact OG-N 3.25Å; S314-T317 PolarHBondContact N-O 2.72Å; S314-T317 PolarHBondContact O-N 3.29Å; S314-T317 PolarHBondContact OG-N 2.77Å; S314-D732 WeakPolarHBondContact CB-OD1 3.26Å; S314-D732 PolarHBondContact OG-OD1 3.37Å
315	A	78.5	Confident	79	Confident	27 Å²	27	43.4 Å²	43.4	22%	0.223	23%	0.234	C	C	.	.	S	Bend	trans	-64	-9.6	171.3	0	0	0	0	0	115.1	K634 Y635 P636	A315-K634 HydrophobicContact CB-CB 3.96Å; A315-K634 HydrophobicContact CB-CG 3.83Å; A315-K634 WeakPolarHBondContact CB-O 3.35Å; A315-K634 WeakPolarHBondContact O-CG 3.46Å; A315-K634 PolarHBondContact O-NZ 3.42Å; A315-Y635 CarbonylContact O-C 3.49Å; A315-P636 WeakPolarHBondContact O-CA 3.44Å
316	W	79.8	Confident	79.6	Confident	52 Å²	52	42 Å²	42	20%	0.197	23%	0.228	C	C	.	.	S	Bend	trans	-103.6	-29	-178.9	-55.4	90.5	0	0	0	112.4	S314 K634 Y640 D732 R736 T739	S314-W316 PolarHBondContact O-N 3.07Å; S314-W316 VanDerWaalsContact O-N 3.07Å; S314-W316 WeakPolarHBondContact OG-CB 3.38Å; S314-W316 PolarHBondContact OG-N 3.25Å; W316-K634 HydrophobicContact CD2-CB 4.43Å; W316-K634 HydrophobicContact CD2-CD 4.39Å; W316-K634 HydrophobicContact CD2-CG 3.76Å; W316-K634 HydrophobicContact CE3-CD 4.25Å; W316-K634 HydrophobicContact CE3-CG 4.12Å; W316-K634 HydrophobicContact CG-CG 4.27Å; W316-K634 HydrophobicContact CH2-CB 4.45Å; W316-K634 HydrophobicContact CH2-CD 4.24Å; W316-K634 HydrophobicContact CH2-CG 4.25Å; W316-K634 HydrophobicContact CZ2-CB 3.78Å; W316-K634 HydrophobicContact CZ2-CD 4.35Å; W316-K634 HydrophobicContact CZ2-CG 3.87Å; W316-K634 HydrophobicContact CZ3-CD 4.18Å; W316-K634 HydrophobicContact CZ3-CG 4.35Å; W316-Y640 HydrophobicContact CH2-CD1 4.21Å; W316-Y640 AromaticContact CH2-CD2 3.29Å; W316-Y640 HydrophobicContact CH2-CD2 3.29Å; W316-Y640 AromaticContact CH2-CE2 3.69Å; W316-Y640 HydrophobicContact CH2-CE2 3.69Å; W316-Y640 AromaticContact CH2-CG 3.59Å; W316-Y640 HydrophobicContact CH2-CG 3.59Å; W316-Y640 AromaticContact CZ2-CD2 3.93Å; W316-Y640 HydrophobicContact CZ2-CD2 3.93Å; W316-Y640 HydrophobicContact CZ2-CE2 4.07Å; W316-Y640 HydrophobicContact CZ3-CD2 4.14Å; W316-Y640 HydrophobicContact CZ3-CG 4.05Å; W316-D732 WeakPolarHBondContact CB-OD1 3.42Å; W316-R736 HydrophobicContact CB-CG 4.13Å; W316-R736 HydrophobicContact CD2-CG 3.52Å; W316-R736 HydrophobicContact CE3-CG 3.93Å; W316-R736 HydrophobicContact CG-CG 3.59Å; W316-R736 HydrophobicContact CZ2-CG 4.43Å; W316-T739 HydrophobicContact CZ3-CG2 3.76Å
317	T	79.8	Confident	79.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.24	C	C	.	.			trans	-133.9	129.2	-164.5	-56.5	0	0	0	0	113	D312 I313 S314 L731 D732 N735	D312-T317 CarbonylContact C-O 3.13Å; I313-T317 HydrophobicContact CD1-CG2 4.38Å; I313-T317 PolarHBondContact N-O 3.2Å; S314-T317 PolarHBondContact N-O 2.72Å; S314-T317 PolarHBondContact O-N 3.29Å; S314-T317 PolarHBondContact OG-N 2.77Å; T317-L731 HydrophobicContact CG2-CD2 3.56Å; T317-L731 HydrophobicContact CG2-CG 3.73Å; T317-D732 VanDerWaalsContact CB-OD1 3.25Å; T317-D732 WeakPolarHBondContact CB-OD1 3.21Å; T317-D732 WeakPolarHBondContact OG1-CA 3.29Å; T317-D732 PolarHBondContact OG1-OD1 2.98Å; T317-N735 PolarHBondContact OG1-ND2 3.3Å
318	K	79.4	Confident	79.9	Confident	36 Å²	36	45.3 Å²	45.3	16%	0.157	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-70.8	144.9	173.7	-67.8	-162.8	173.3	-169.7	0	111.5	V320 N637	K318-V320 PolarHBondContact O-N 3.4Å; K318-N637 WeakPolarHBondContact CE-OD1 3.33Å; K318-N637 PolarHBondContact NZ-OD1 3.29Å
319	C	78.5	Confident	80.1	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	27%	0.269	C	S	.	.			trans	-65.7	126.7	171.5	-173.4	0	0	0	0	110.4	C296 C309 G311 I313 F321	C296-C319 HydrophobicContact CB-CB 4.26Å; C296-C319 VanDerWaalsContact SG-CB 3.51Å; C296-C319 VanDerWaalsContact SG-SG 3.6Å; C309-C319 HydrophobicContact CB-CB 3.94Å; G311-C319 WeakPolarHBondContact O-CB 3.32Å; G311-C319 PolarHBondContact O-N 2.96Å; I313-C319 HydrophobicContact CG1-CB 4.07Å; C319-F321 WeakPolarHBondContact SG-CB 3.44Å
320	V	79.1	Confident	80.1	Confident	60 Å²	60	54.2 Å²	54.2	36%	0.364	29%	0.29	S	S	.	.			trans	-95.5	2.1	178.3	-66.1	0	0	0	0	112.5	K318 K322 V564 L731	K318-V320 PolarHBondContact O-N 3.4Å; V320-K322 PolarHBondContact O-N 2.85Å; V320-V564 HydrophobicContact CG1-CG2 3.95Å; V320-L731 HydrophobicContact CG1-CD2 4.03Å
321	F	79.4	Confident	80.4	Confident	47 Å²	47	51.6 Å²	51.6	21%	0.206	27%	0.27	C	S	.	.			trans	-57.6	126.9	-179.6	-176.5	-100.4	0	0	0	111.4	E295 L300 C309 C319 T323	E295-F321 HydrophobicContact CG-CD2 4.1Å; E295-F321 WeakPolarHBondContact OE1-CD2 3.1Å; L300-F321 HydrophobicContact CD2-CD1 3.86Å; L300-F321 HydrophobicContact CD2-CE1 4.14Å; C309-F321 HydrophobicContact CB-CB 4.12Å; C309-F321 PolarHBondContact N-O 3.34Å; C319-F321 WeakPolarHBondContact SG-CB 3.44Å; F321-T323 HydrophobicContact CE1-CG2 3.87Å; F321-T323 HydrophobicContact CZ-CG2 4.31Å
322	K	82.7	Confident	80.6	Confident	113 Å²	113	55.3 Å²	55.3	49%	0.491	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.6	176.3	65.5	-171.2	-176	178.3	0	111.4	L306 Y307 Y308 V320	L306-K322 HydrophobicContact CD1-CB 4.31Å; L306-K322 HydrophobicContact CD1-CD 3.77Å; L306-K322 HydrophobicContact CD1-CG 4.13Å; Y307-K322 CarbonylContact O-C 3.45Å; Y307-K322 WeakPolarHBondContact O-CA 3.32Å; Y308-K322 HydrophobicContact CD1-CB 4.05Å; Y308-K322 HydrophobicContact CE1-CB 4.22Å; Y308-K322 HydrophobicContact CE1-CD 4.14Å; V320-K322 PolarHBondContact O-N 2.85Å
323	T	81	Confident	80.8	Confident	28 Å²	28	53.8 Å²	53.8	17%	0.172	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.4	-179.4	-176.6	0	0	0	0	112.8	L300 Y307 F321 T325 P326	L300-T323 HydrophobicContact CD1-CG2 4.41Å; Y307-T323 WeakPolarHBondContact CD2-O 3.49Å; Y307-T323 PolarHBondContact N-O 3.16Å; Y307-T323 PolarHBondContact O-N 2.93Å; F321-T323 HydrophobicContact CE1-CG2 3.87Å; F321-T323 HydrophobicContact CZ-CG2 4.31Å; T323-T325 PolarHBondContact OG1-N 3.34Å; T323-T325 VanDerWaalsContact OG1-N 3.08Å; T323-T325 PolarHBondContact OG1-O 2.93Å; T323-P326 HydrophobicContact CG2-CB 4.02Å
324	K	80.7	Confident	81.1	Confident	95 Å²	95	52.1 Å²	52.1	41%	0.413	28%	0.276	S	S	.	.	S	Bend	trans	-85.7	-22.3	168.2	-71.7	-178.2	-179.2	178.7	0	112	L306 Y355 E358	L306-K324 HydrophobicContact CD2-CB 4.27Å; L306-K324 HydrophobicContact CD2-CD 4.02Å; L306-K324 HydrophobicContact CD2-CG 3.15Å; K324-Y355 HydrophobicContact CB-CE2 4.16Å; K324-Y355 HydrophobicContact CG-CE1 4.48Å; K324-Y355 VanDerWaalsContact O-CE2 3.32Å; K324-Y355 WeakPolarHBondContact O-CE2 3.23Å; K324-Y355 VanDerWaalsContact O-CZ 3.28Å; K324-Y355 PolarHBondContact O-OH 3Å; K324-E358 IonicContact NZ-OE2 3.82Å; K324-E358 PolarHBondContact NZ-OE2 2.82Å
325	T	79.1	Confident	80.9	Confident	116 Å²	116	58.6 Å²	58.6	71%	0.712	30%	0.3	S	S	*	.	S	Bend	trans	-132	80.1	-173.2	53.1	0	0	0	0	109.5	T323	T323-T325 PolarHBondContact OG1-N 3.34Å; T323-T325 VanDerWaalsContact OG1-N 3.08Å; T323-T325 PolarHBondContact OG1-O 2.93Å
326	P	81.8	Confident	80.7	Confident	21 Å²	21	64 Å²	64	14%	0.136	32%	0.32	C	S	.	.			trans	-73.2	147.4	176	33.5	-36.6	0	0	0	110	L290 L300 Y307 T323 R328	L290-P326 HydrophobicContact CD2-CB 3.53Å; L290-P326 HydrophobicContact CD2-CG 3.4Å; L290-P326 VanDerWaalsContact CD2-CG 3.4Å; L300-P326 HydrophobicContact CD1-CB 3.75Å; Y307-P326 HydrophobicContact CD1-CG 4.1Å; Y307-P326 HydrophobicContact CD2-CB 4.23Å; Y307-P326 HydrophobicContact CD2-CG 3.41Å; Y307-P326 VanDerWaalsContact CD2-CG 3.41Å; Y307-P326 HydrophobicContact CE1-CG 4.15Å; Y307-P326 HydrophobicContact CE2-CG 3.4Å; Y307-P326 VanDerWaalsContact CE2-CG 3.4Å; Y307-P326 HydrophobicContact CG-CB 4.29Å; Y307-P326 HydrophobicContact CG-CG 3.77Å; T323-P326 HydrophobicContact CG2-CB 4.02Å; P326-R328 HydrophobicContact CG-CG 4.5Å
327	S	81.7	Confident	80.4	Confident	52 Å²	52	62.6 Å²	62.6	36%	0.364	32%	0.316	S	S	.	.			trans	-67.3	138.5	168.7	-64.8	0	0	0	0	109.7	E291	E291-S327 PolarHBondContact N-O 3.21Å; E291-S327 WeakPolarHBondContact OE2-CB 3.47Å
328	R	82.9	Confident	80.2	Confident	37 Å²	37	66 Å²	66	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.7	-176	-68	-175.9	179.2	-99.1	7.3	112.1	D283 F287 G288 A289 L290 Y307 P326	D283-R328 IonicContact OD2-CZ 2.73Å; D283-R328 IonicContact OD2-NH1 3.21Å; D283-R328 PolarHBondContact OD2-NH1 2.73Å; D283-R328 IonicContact OD2-NH2 3.46Å; D283-R328 PolarHBondContact OD2-NH2 3.38Å; F287-R328 WeakPolarHBondContact O-CD 3.41Å; G288-R328 PolarHBondContact O-NH1 3.46Å; A289-R328 CarbonylContact O-C 3.43Å; A289-R328 WeakPolarHBondContact O-CA 3.47Å; A289-R328 WeakPolarHBondContact O-CB 3.48Å; L290-R328 HydrophobicContact CD2-CG 3.97Å; L290-R328 VanDerWaalsContact CD2-CZ 3.41Å; Y307-R328 PolarHBondContact OH-NH2 2.93Å; P326-R328 HydrophobicContact CG-CG 4.5Å
329	K	84.5	Confident	79.5	Confident	134 Å²	134	73.2 Å²	73.2	58%	0.583	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	158.5	167.8	-65.6	-179	-179.5	177.6	0	110.2	G288 A289 E291	G288-K329 CarbonylContact C-O 3.54Å; G288-K329 VanDerWaalsContact CA-O 3.25Å; G288-K329 WeakPolarHBondContact CA-O 3.36Å; A289-K329 PolarHBondContact N-O 3.04Å; A289-K329 PolarHBondContact O-N 2.83Å; E291-K329 HydrophobicContact CG-CG 4.28Å; E291-K329 VanDerWaalsContact OE1-CE 3.28Å; E291-K329 WeakPolarHBondContact OE1-CE 3.34Å
330	D	84.3	Confident	79.2	Confident	92 Å²	92	74.4 Å²	74.4	49%	0.492	37%	0.373	S	S	.	.			trans	-65.8	138.1	177.4	-69.5	-2.2	0	0	0	110.1	F348	D330-F348 HydrophobicContact CB-CD1 3.88Å; D330-F348 HydrophobicContact CB-CE1 3.99Å; D330-F348 WeakPolarHBondContact OD1-CE1 3.46Å
331	F	84.1	Confident	78.7	Confident	11 Å²	11	75.1 Å²	75.1	5%	0.048	38%	0.381	C	S	.	.			trans	-76.5	125.9	-179.4	-169.3	-86.2	0	0	0	110.4	N266 L281 G284 M285 V333 F346 F348	N266-F331 HydrophobicContact CB-CD2 4.46Å; N266-F331 HydrophobicContact CB-CE2 4.21Å; N266-F331 WeakPolarHBondContact ND2-CZ 3.4Å; L281-F331 HydrophobicContact CD1-CE2 3.9Å; L281-F331 HydrophobicContact CD1-CZ 3.56Å; G284-F331 WeakPolarHBondContact O-CD2 3.39Å; M285-F331 HydrophobicContact CG-CD1 3.93Å; M285-F331 HydrophobicContact CG-CD2 4.37Å; M285-F331 HydrophobicContact CG-CE1 3.57Å; M285-F331 HydrophobicContact CG-CE2 4.02Å; M285-F331 HydrophobicContact CG-CG 4.33Å; M285-F331 HydrophobicContact CG-CZ 3.62Å; F331-V333 HydrophobicContact CD1-CG2 4.24Å; F331-V333 HydrophobicContact CE1-CG2 3.97Å; F331-F346 HydrophobicContact CD1-CE1 4.36Å; F331-F348 HydrophobicContact CB-CD2 3.88Å; F331-F348 HydrophobicContact CB-CE2 4.29Å; F331-F348 HydrophobicContact CB-CG 4.25Å
332	V	83	Confident	78.6	Confident	90 Å²	90	74.4 Å²	74.4	55%	0.545	38%	0.377	S	S	.	.			trans	-110.1	128.9	-177.8	-176.9	0	0	0	0	109.8	N266 P334	N266-V332 PolarHBondContact ND2-O 2.86Å; N266-V332 PolarHBondContact OD1-N 2.9Å; N266-V332 PolarHBondContact OD1-O 3.14Å; V332-P334 WeakPolarHBondContact O-CD 3.33Å
333	V	81.9	Confident	78.4	Confident	23 Å²	23	69.1 Å²	69.1	14%	0.139	36%	0.355	C	S	.	.			trans	-96.6	115.2	170.3	179.2	0	0	0	0	107.6	L262 F331 F337 L343 F346	L262-V333 HydrophobicContact CD2-CG1 4.5Å; F331-V333 HydrophobicContact CD1-CG2 4.24Å; F331-V333 HydrophobicContact CE1-CG2 3.97Å; V333-F337 HydrophobicContact CG1-CB 4.17Å; V333-L343 HydrophobicContact CG1-CB 4.05Å; V333-F346 HydrophobicContact CG2-CD1 4.03Å
334	P	82.3	Confident	78	Confident	26 Å²	26	74.5 Å²	74.5	17%	0.169	38%	0.376	C	S	.	.			trans	-61.4	149.9	176	-20.1	32	0	0	0	111.8	A265 V332 E336 F337	A265-P334 HydrophobicContact CB-CG 3.52Å; V332-P334 WeakPolarHBondContact O-CD 3.33Å; P334-E336 VanDerWaalsContact C-OE2 3.31Å; P334-E336 WeakPolarHBondContact CB-OE2 3.46Å; P334-E336 PolarHBondContact O-N 3.25Å; P334-E336 VanDerWaalsContact O-N 3.17Å; P334-F337 HydrophobicContact CB-CD2 3.88Å; P334-F337 HydrophobicContact CB-CE2 4.18Å; P334-F337 HydrophobicContact CG-CD2 3.97Å; P334-F337 HydrophobicContact CG-CE2 4.07Å; P334-F337 PolarHBondContact O-N 2.87Å; P334-F337 VanDerWaalsContact O-N 3.09Å
335	K	74.3	Confident	77.6	Confident	169 Å²	169	78.2 Å²	78.2	74%	0.735	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-63.8	-24.6	-173.5	-69.7	179.8	-178.4	174.1	0	112.3	F337 H338	K335-F337 PolarHBondContact O-N 2.87Å; K335-H338 VanDerWaalsContact O-CB 3.31Å; K335-H338 WeakPolarHBondContact O-CB 3.5Å; K335-H338 PolarHBondContact O-N 2.72Å
336	E	73.9	Confident	77.6	Confident	139 Å²	139	74.9 Å²	74.9	65%	0.65	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-62.6	-26.2	177.7	-57.9	73.7	-157.5	0	0	111.7	P334	P334-E336 VanDerWaalsContact C-OE2 3.31Å; P334-E336 WeakPolarHBondContact CB-OE2 3.46Å; P334-E336 PolarHBondContact O-N 3.25Å; P334-E336 VanDerWaalsContact O-N 3.17Å
337	F	74.9	Confident	77.1	Confident	23 Å²	23	82.6 Å²	82.6	10%	0.101	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-94	5.6	179.1	-61.5	-79.3	0	0	0	113.7	D258 E261 L262 V333 P334 K335 E339 V340 L343	D258-F337 HydrophobicContact CB-CD1 4.27Å; D258-F337 HydrophobicContact CB-CE1 3.86Å; E261-F337 HydrophobicContact CB-CE1 4.45Å; E261-F337 HydrophobicContact CB-CZ 3.67Å; E261-F337 WeakPolarHBondContact OE2-CZ 3.33Å; L262-F337 HydrophobicContact CD2-CB 4.3Å; L262-F337 HydrophobicContact CD2-CD1 4.37Å; L262-F337 HydrophobicContact CD2-CD2 3.58Å; L262-F337 HydrophobicContact CD2-CE2 3.98Å; L262-F337 HydrophobicContact CD2-CG 3.81Å; L262-F337 HydrophobicContact CG-CD1 4.29Å; L262-F337 HydrophobicContact CG-CD2 4.22Å; L262-F337 HydrophobicContact CG-CE1 4.36Å; L262-F337 HydrophobicContact CG-CE2 4.27Å; L262-F337 HydrophobicContact CG-CG 4.23Å; L262-F337 HydrophobicContact CG-CZ 4.36Å; V333-F337 HydrophobicContact CG1-CB 4.17Å; P334-F337 HydrophobicContact CB-CD2 3.88Å; P334-F337 HydrophobicContact CB-CE2 4.18Å; P334-F337 HydrophobicContact CG-CD2 3.97Å; P334-F337 HydrophobicContact CG-CE2 4.07Å; P334-F337 PolarHBondContact O-N 2.87Å; P334-F337 VanDerWaalsContact O-N 3.09Å; K335-F337 PolarHBondContact O-N 2.87Å; F337-E339 PolarHBondContact O-N 3.09Å; F337-V340 PolarHBondContact O-N 3.36Å; F337-L343 HydrophobicContact CB-CD1 3.86Å
338	H	74.9	Confident	76.9	Confident	74 Å²	74	82.1 Å²	82.1	34%	0.343	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-73.1	-7.8	178.1	-72.1	177.6	0	0	0	114.2	K335 V340 K344	K335-H338 VanDerWaalsContact O-CB 3.31Å; K335-H338 WeakPolarHBondContact O-CB 3.5Å; K335-H338 PolarHBondContact O-N 2.72Å; H338-V340 PolarHBondContact O-N 3.41Å; H338-K344 HydrophobicContact CB-CB 4.19Å; H338-K344 HydrophobicContact CB-CD 4.45Å; H338-K344 HydrophobicContact CB-CG 4.2Å; H338-K344 WeakPolarHBondContact O-CB 3.39Å
339	E	63.9	Low	76.6	Confident	186 Å²	186	88.3 Å²	88.3	87%	0.869	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-64.3	-29.8	169	-60.3	-169.1	165	0	0	111.3	F337 S341	F337-E339 PolarHBondContact O-N 3.09Å; E339-S341 PolarHBondContact O-N 3.39Å
340	V	73.1	Confident	76.1	Confident	26 Å²	26	90.6 Å²	90.6	16%	0.158	42%	0.423	C	S	.	.	S	Bend	trans	-77.7	107.6	172.2	-174.8	0	0	0	0	109.1	H253 F337 H338 F342 L343 K344	H253-V340 HydrophobicContact CB-CG1 3.94Å; F337-V340 PolarHBondContact O-N 3.36Å; H338-V340 PolarHBondContact O-N 3.41Å; V340-F342 HydrophobicContact CG1-CB 4.3Å; V340-F342 PolarHBondContact O-N 3.24Å; V340-L343 HydrophobicContact CB-CB 4.17Å; V340-L343 HydrophobicContact CB-CD1 3.97Å; V340-L343 HydrophobicContact CB-CG 4.08Å; V340-L343 HydrophobicContact CG1-CB 4.47Å; V340-L343 HydrophobicContact CG1-CD1 4.24Å; V340-L343 HydrophobicContact CG1-CG 4.05Å; V340-L343 HydrophobicContact CG2-CD1 4.27Å; V340-L343 PolarHBondContact O-N 2.83Å; V340-K344 PolarHBondContact O-N 3.3Å
341	S	68.8	Low	75.7	Confident	76 Å²	76	90 Å²	90	53%	0.531	42%	0.418	S	S	.	.	H	α-helix	trans	-52.8	-28.5	-176.5	60.4	0	0	0	0	115.1	E339 K345	E339-S341 PolarHBondContact O-N 3.39Å; S341-K345 WeakPolarHBondContact O-CG 3.45Å
342	F	77.9	Confident	75.3	Confident	31 Å²	31	96 Å²	96	14%	0.136	45%	0.45	C	S	.	.	H	α-helix	trans	-70	-46.2	172.9	163.1	-116.7	0	0	0	112.5	K249 L250 M285 V340 K345 F346	K249-F342 HydrophobicContact CB-CD1 4.1Å; K249-F342 HydrophobicContact CB-CD2 4.29Å; K249-F342 HydrophobicContact CB-CE1 3.96Å; K249-F342 HydrophobicContact CB-CE2 4.16Å; K249-F342 HydrophobicContact CB-CG 4.26Å; K249-F342 HydrophobicContact CB-CZ 3.98Å; K249-F342 HydrophobicContact CD-CD2 3.57Å; K249-F342 HydrophobicContact CD-CE2 3.37Å; K249-F342 HydrophobicContact CD-CG 4.3Å; K249-F342 HydrophobicContact CD-CZ 3.97Å; K249-F342 HydrophobicContact CG-CD2 4.45Å; K249-F342 HydrophobicContact CG-CE2 4.4Å; L250-F342 HydrophobicContact CD2-CE1 4.21Å; L250-F342 HydrophobicContact CG-CE1 4.47Å; M285-F342 HydrophobicContact CE-CE1 4.17Å; M285-F342 HydrophobicContact CE-CZ 4.19Å; V340-F342 HydrophobicContact CG1-CB 4.3Å; V340-F342 PolarHBondContact O-N 3.24Å; F342-K345 PolarHBondContact O-N 2.97Å; F342-F346 HydrophobicContact CE2-CD2 4.42Å; F342-F346 HydrophobicContact CZ-CD2 4.38Å; F342-F346 PolarHBondContact O-N 2.94Å
343	L	77.3	Confident	75	Confident	2 Å²	2	93.2 Å²	93.2	1%	0.01	43%	0.43	C	S	.	.	H	α-helix	trans	-72.1	-36.3	-176.9	-66.1	179.6	0	0	0	111.8	L262 M285 V333 F337 V340 K345 F346	L262-L343 HydrophobicContact CD1-CD1 3.94Å; M285-L343 HydrophobicContact CE-CD2 3.74Å; V333-L343 HydrophobicContact CG1-CB 4.05Å; F337-L343 HydrophobicContact CB-CD1 3.86Å; V340-L343 HydrophobicContact CB-CB 4.17Å; V340-L343 HydrophobicContact CB-CD1 3.97Å; V340-L343 HydrophobicContact CB-CG 4.08Å; V340-L343 HydrophobicContact CG1-CB 4.47Å; V340-L343 HydrophobicContact CG1-CD1 4.24Å; V340-L343 HydrophobicContact CG1-CG 4.05Å; V340-L343 HydrophobicContact CG2-CD1 4.27Å; V340-L343 PolarHBondContact O-N 2.83Å; L343-K345 VanDerWaalsContact C-N 3.25Å; L343-K345 PolarHBondContact O-N 3.1Å; L343-F346 WeakPolarHBondContact O-CB 3.25Å; L343-F346 PolarHBondContact O-N 2.84Å; L343-F346 VanDerWaalsContact O-N 3.12Å
344	K	73.4	Confident	74.7	Confident	142 Å²	142	93.6 Å²	93.6	62%	0.617	43%	0.432	S	S	*	.	H	α-helix	trans	-59.8	-32.6	173.5	-173.3	175.5	-178.6	173.6	0	113.8	H338 V340	H338-K344 HydrophobicContact CB-CB 4.19Å; H338-K344 HydrophobicContact CB-CD 4.45Å; H338-K344 HydrophobicContact CB-CG 4.2Å; H338-K344 WeakPolarHBondContact O-CB 3.39Å; V340-K344 PolarHBondContact O-N 3.3Å
345	K	72.4	Confident	74	Confident	172 Å²	172	94.6 Å²	94.6	75%	0.748	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.9	180	-67.4	-179.5	-177.9	-179.9	0	112.7	S341 F342 L343 K347	S341-K345 WeakPolarHBondContact O-CG 3.45Å; F342-K345 PolarHBondContact O-N 2.97Å; L343-K345 VanDerWaalsContact C-N 3.25Å; L343-K345 PolarHBondContact O-N 3.1Å; K345-K347 PolarHBondContact O-N 3.35Å
346	F	77.8	Confident	73.1	Confident	47 Å²	47	90.3 Å²	90.3	21%	0.206	42%	0.422	C	S	.	.			trans	-74.3	123.2	-177.1	-174.7	-99.9	0	0	0	110	M285 F331 V333 F342 L343 F348	M285-F346 HydrophobicContact CB-CE1 4.4Å; M285-F346 HydrophobicContact CB-CZ 3.89Å; M285-F346 HydrophobicContact CE-CD1 3.85Å; M285-F346 HydrophobicContact CE-CD2 3.83Å; M285-F346 HydrophobicContact CE-CE1 3.85Å; M285-F346 HydrophobicContact CE-CE2 3.84Å; M285-F346 HydrophobicContact CE-CG 3.85Å; M285-F346 HydrophobicContact CE-CZ 3.85Å; M285-F346 HydrophobicContact CG-CZ 4.47Å; M285-F346 WeakPolarHBondContact O-CZ 3.32Å; F331-F346 HydrophobicContact CD1-CE1 4.36Å; V333-F346 HydrophobicContact CG2-CD1 4.03Å; F342-F346 HydrophobicContact CE2-CD2 4.42Å; F342-F346 HydrophobicContact CZ-CD2 4.38Å; F342-F346 PolarHBondContact O-N 2.94Å; L343-F346 WeakPolarHBondContact O-CB 3.25Å; L343-F346 PolarHBondContact O-N 2.84Å; L343-F346 VanDerWaalsContact O-N 3.12Å; F346-F348 HydrophobicContact CE1-CB 4.38Å
347	K	71.6	Confident	71.8	Confident	182 Å²	182	92.1 Å²	92.1	79%	0.791	43%	0.428	S	S	*	.			trans	-118.9	119.7	171.7	-69.4	-173.1	177.6	-175.4	0	108.3	K345	K345-K347 PolarHBondContact O-N 3.35Å
348	F	78.4	Confident	70	Confident	43 Å²	43	97.9 Å²	97.9	19%	0.189	46%	0.455	C	S	.	.			trans	-63.9	135	177	179.5	-110.4	0	0	0	110.4	G288 D330 F331 F346 R350	G288-F348 VanDerWaalsContact CA-CZ 3.49Å; G288-F348 VanDerWaalsContact N-CE2 3.28Å; D330-F348 HydrophobicContact CB-CD1 3.88Å; D330-F348 HydrophobicContact CB-CE1 3.99Å; D330-F348 WeakPolarHBondContact OD1-CE1 3.46Å; F331-F348 HydrophobicContact CB-CD2 3.88Å; F331-F348 HydrophobicContact CB-CE2 4.29Å; F331-F348 HydrophobicContact CB-CG 4.25Å; F346-F348 HydrophobicContact CE1-CB 4.38Å; F348-R350 HydrophobicContact CE1-CB 4.14Å
349	K	76.1	Confident	67.8	Low	167 Å²	167	98.7 Å²	98.7	73%	0.726	48%	0.475	S	S	*	.			trans	-124.1	120.3	172.3	-70.2	-173.5	179.8	-175.8	0	107.9	Q351	K349-Q351 PolarHBondContact O-N 3.18Å
350	R	74.3	Confident	66	Low	182 Å²	182	95.6 Å²	95.6	69%	0.687	47%	0.471	S	S	*	.			trans	-67.2	124.7	178.5	-168.4	171.1	-177.3	144.8	-2.3	109.9	F348	F348-R350 HydrophobicContact CE1-CB 4.14Å
351	Q	75.2	Confident	63.8	Low	80 Å²	80	98.1 Å²	98.1	37%	0.374	49%	0.494	S	S	.	.			trans	-152.7	147	177.3	59.7	-178.7	-0.9	0	0	108.9	A286 F287 K349	A286-Q351 WeakPolarHBondContact O-CG 3.44Å; A286-Q351 PolarHBondContact O-NE2 2.94Å; F287-Q351 HydrophobicContact CD1-CG 4.01Å; F287-Q351 WeakPolarHBondContact CD1-O 3.22Å; F287-Q351 HydrophobicContact CE1-CG 4.33Å; K349-Q351 PolarHBondContact O-N 3.18Å
352	D	76.3	Confident	61.8	Low	136 Å²	136	103.9 Å²	103.9	73%	0.727	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-89.9	149	178.5	-64	-39.1	0	0	0	111.6
353	R	76.4	Confident	59.3	Low	32 Å²	32	108.2 Å²	108.2	12%	0.121	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-70.3	133.5	175	-161.6	-172.3	-140.1	117.3	6.8	110.4	D283 F287 F302 Y307 Y355	D283-R353 IonicContact OD1-CZ 3.98Å; D283-R353 VanDerWaalsContact OD1-CZ 3.26Å; D283-R353 IonicContact OD1-NH1 3.33Å; D283-R353 PolarHBondContact OD1-NH1 3.32Å; D283-R353 IonicContact OD1-NH2 2.85Å; D283-R353 PolarHBondContact OD1-NH2 3.07Å; D283-R353 VanDerWaalsContact OD1-NH2 3.09Å; F287-R353 HydrophobicContact CD1-CB 4.43Å; F287-R353 HydrophobicContact CE1-CB 4.19Å; F287-R353 HydrophobicContact CE1-CG 4.32Å; F287-R353 HydrophobicContact CE2-CG 4.33Å; F287-R353 HydrophobicContact CZ-CB 4.32Å; F287-R353 HydrophobicContact CZ-CG 3.99Å; F302-R353 VanDerWaalsContact CB-NH1 3.34Å; F302-R353 VanDerWaalsContact CD1-NH1 3.29Å; F302-R353 VanDerWaalsContact CE2-CD 3.49Å; F302-R353 VanDerWaalsContact CZ-NE 3.3Å; Y307-R353 PolarHBondContact OH-NH1 3.06Å; R353-Y355 HydrophobicContact CB-CE2 4.26Å; R353-Y355 WeakPolarHBondContact O-CD2 3.46Å; R353-Y355 WeakPolarHBondContact O-CE2 3.46Å
354	V	75	Confident	57	Low	31 Å²	31	116.4 Å²	116.4	19%	0.188	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-89.8	127.7	175.2	-175.2	0	0	0	0	110.2	V232 R235 K236	V232-V354 HydrophobicContact CG1-CG1 4.42Å; R235-V354 HydrophobicContact CB-CG2 4.28Å; K236-V354 HydrophobicContact CG-CG1 4.06Å
355	Y	68.8	Low	54.7	Low	46 Å²	46	119 Å²	119	18%	0.18	60%	0.596	C	S	.	*	P	Polyproline II helix	trans	-101.6	158.7	-177.3	-67.6	-83.1	0	0	0	113.5	K236 F302 D305 Y307 K324 R353	K236-Y355 VanDerWaalsContact CE-O 3.27Å; K236-Y355 WeakPolarHBondContact CE-O 3.4Å; F302-Y355 HydrophobicContact CE2-CE1 4.08Å; D305-Y355 WeakPolarHBondContact O-CD1 3.28Å; D305-Y355 WeakPolarHBondContact O-CE1 3.37Å; Y307-Y355 WeakPolarHBondContact CE2-OH 3.5Å; K324-Y355 HydrophobicContact CB-CE2 4.16Å; K324-Y355 HydrophobicContact CG-CE1 4.48Å; K324-Y355 VanDerWaalsContact O-CE2 3.32Å; K324-Y355 WeakPolarHBondContact O-CE2 3.23Å; K324-Y355 VanDerWaalsContact O-CZ 3.28Å; K324-Y355 PolarHBondContact O-OH 3Å; R353-Y355 HydrophobicContact CB-CE2 4.26Å; R353-Y355 WeakPolarHBondContact O-CD2 3.46Å; R353-Y355 WeakPolarHBondContact O-CE2 3.46Å
356	P	55.5	Low	52.6	Low	80 Å²	80	116.6 Å²	116.6	52%	0.519	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-61.4	133.6	161.7	-15.9	30.6	0	0	0	111.8	E358	P356-E358 PolarHBondContact O-N 2.77Å
357	K	45.7	Very low	50.2	Low	177 Å²	177	119.1 Å²	119.1	77%	0.77	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-69.7	119.6	163.1	-81	-173.8	176	-177.8	0	107.1
358	E	37.8	Very low	48.1	Very low	144 Å²	144	120.5 Å²	120.5	67%	0.673	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-69.9	146.1	159.1	-74.1	165.6	136.4	0	0	108.3	K324 P356	K324-E358 IonicContact NZ-OE2 3.82Å; K324-E358 PolarHBondContact NZ-OE2 2.82Å; P356-E358 PolarHBondContact O-N 2.77Å
359	A	28.2	Very low	45.7	Very low	90 Å²	90	123.3 Å²	123.3	74%	0.744	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-55.9	133.6	158.3	0	0	0	0	0	107	A361	A359-A361 PolarHBondContact O-N 2.89Å
360	P	26.5	Very low	43.2	Very low	122 Å²	122	124.7 Å²	124.7	79%	0.792	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-62	118.4	-173.3	12.7	-14.5	0	0	0	109.8	Q362	P360-Q362 PolarHBondContact O-N 3.45Å
361	A	26.5	Very low	40.8	Very low	79 Å²	79	122 Å²	122	65%	0.653	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-59.6	123.1	148.7	0	0	0	0	0	106.4	A359 T363	A359-A361 PolarHBondContact O-N 2.89Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.42Å; A361-T363 PolarHBondContact O-OG1 3.46Å
362	Q	27.3	Very low	38.3	Very low	196 Å²	196	126.1 Å²	126.1	92%	0.916	70%	0.701	S	S	*	*			trans	-58.1	97	170.3	-71.7	179.2	-7.5	0	0	108.1	P360	P360-Q362 PolarHBondContact O-N 3.45Å
363	T	24.8	Very low	35.8	Very low	122 Å²	122	123.8 Å²	123.8	75%	0.748	70%	0.701	S	S	*	*			trans	-102.2	107	165.9	31.4	0	0	0	0	106	A361 K365	A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.42Å; A361-T363 PolarHBondContact O-OG1 3.46Å; T363-K365 PolarHBondContact O-N 3.03Å
364	L	28.9	Very low	33.3	Very low	174 Å²	174	128.2 Å²	128.2	91%	0.911	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-46.7	119.6	164	-72.8	153.8	0	0	0	108.1
365	K	25	Very low	30.8	Very low	196 Å²	196	131.7 Å²	131.7	85%	0.852	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-70.8	136.4	169.8	-78.3	-176.3	177.2	178.9	0	108.9	T363 A367	T363-K365 PolarHBondContact O-N 3.03Å; K365-A367 PolarHBondContact O-N 3.06Å
366	P	28.7	Very low	28.7	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.1	126.2	169.6	28.3	-29.9	0	0	0	109.3
367	A	28.4	Very low	27.2	Very low	100 Å²	100	136.4 Å²	136.4	83%	0.826	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73	130.4	173.9	0	0	0	0	0	110	K365	K365-A367 PolarHBondContact O-N 3.06Å
368	K	26.2	Very low	26.2	Very low	210 Å²	210	132.8 Å²	132.8	91%	0.913	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-64.4	137	167.1	-79.2	179.4	171	-175.1	0	109.5
369	A	28.5	Very low	25.7	Very low	102 Å²	102	132 Å²	132	84%	0.843	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-77.1	131.8	167.4	0	0	0	0	0	110.4
370	E	24.1	Very low	25.4	Very low	197 Å²	197	133.3 Å²	133.3	92%	0.921	83%	0.825	S	S	*	*			trans	-147	142.1	152.4	-107.4	172.3	-155.9	0	0	108.7
371	T	22.6	Very low	25.4	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	83%	0.829	S	S	*	*			trans	-86.3	143.5	-166.5	41.7	0	0	0	0	114
372	L	24.1	Very low	25.2	Very low	167 Å²	167	144.4 Å²	144.4	87%	0.874	84%	0.842	S	S	*	*				166.8	135.9	116.3	-90.9	156.1	0	0	0	115
373	A	22.1	Very low	24.9	Very low	87 Å²	87	143.1 Å²	143.1	72%	0.719	84%	0.841	S	S	*	*			trans	74.7	105.3	143	0	0	0	0	0	123.6
374	S	24.4	Very low	24.9	Very low	126 Å²	126	145.7 Å²	145.7	88%	0.881	85%	0.849	S	S	*	*			trans	33.6	120.8	131.4	-57.8	0	0	0	0	123.1
375	A	23.2	Very low	24.7	Very low	104 Å²	104	147 Å²	147	86%	0.86	85%	0.85	S	S	*	*				-171.5	151.3	116.7	0	0	0	0	0	112
376	S	24.1	Very low	24.8	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	85%	0.85	S	S	*	*			trans	-67.3	149.3	-169.4	49.9	0	0	0	0	118.1
377	S	24.7	Very low	24.6	Very low	113 Å²	113	141 Å²	141	79%	0.79	85%	0.848	S	S	*	*				150.5	119.4	110.6	66.1	0	0	0	0	114.9
378	A	23.9	Very low	24.8	Very low	101 Å²	101	142.3 Å²	142.3	84%	0.835	85%	0.848	S	S	*	*			trans	57.6	153.5	145.2	0	0	0	0	0	122.1
379	P	28	Very low	25.4	Very low	129 Å²	129	137.7 Å²	137.7	84%	0.838	84%	0.842	S	S	*	*			trans	-98	144.5	-150	37.5	-31.5	0	0	0	113.5
380	S	21.8	Very low	26.4	Very low	116 Å²	116	139.8 Å²	139.8	81%	0.811	84%	0.839	S	S	*	*			trans	-144.4	128.2	164.1	-159.6	0	0	0	0	110.5
381	E	26.6	Very low	28.2	Very low	188 Å²	188	136 Å²	136	88%	0.879	82%	0.819	S	S	*	*			trans	-47.6	133.2	175	-66.2	171	139.2	0	0	111.7
382	R	21.6	Very low	30.2	Very low	247 Å²	247	133.1 Å²	133.1	93%	0.932	80%	0.803	S	S	*	*			trans	-102.3	102.5	169.5	-84.2	-173.4	-174.3	176.8	2.2	110.1
383	L	22.2	Very low	32.3	Very low	169 Å²	169	125.1 Å²	125.1	89%	0.885	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.2	134.5	151.9	-71.5	158.8	0	0	0	109.3
384	L	24.9	Very low	34.6	Very low	176 Å²	176	124.9 Å²	124.9	92%	0.921	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-82.1	123	170.3	-76.4	158.6	0	0	0	108.8
385	E	24.4	Very low	36.5	Very low	200 Å²	200	122.4 Å²	122.4	94%	0.935	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-73.6	139.6	170.4	-76.3	179	148.8	0	0	111.4
386	A	26.5	Very low	38.9	Very low	102 Å²	102	118.4 Å²	118.4	84%	0.843	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-89.7	148.7	-170.4	0	0	0	0	0	114
387	A	24.5	Very low	41.6	Very low	92 Å²	92	117.5 Å²	117.5	76%	0.76	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-88.9	163.3	161	0	0	0	0	0	110.3
388	P	32.6	Very low	44.2	Very low	127 Å²	127	112.2 Å²	112.2	83%	0.825	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-79.1	147.8	-150.4	30.1	-32.8	0	0	0	115.5
389	S	40	Very low	47	Very low	113 Å²	113	108.1 Å²	108.1	79%	0.79	62%	0.618	S	S	*	*			trans	-38.4	112.2	-178.9	56.8	0	0	0	0	118.3
390	D	48.9	Very low	49.5	Very low	147 Å²	147	103.3 Å²	103.3	79%	0.786	59%	0.589	S	S	*	*			trans	-85.1	135.2	141.4	-87.2	-34.6	0	0	0	108.6
391	K	62.1	Low	52.1	Low	116 Å²	116	98.6 Å²	98.6	50%	0.504	56%	0.555	S	S	.	*			trans	-62.9	141.7	178.8	-63.6	179.9	168.5	-160.9	0	109.9	L393 T394 E417 L418	K391-L393 VanDerWaalsContact C-N 3.31Å; K391-L393 PolarHBondContact O-N 2.88Å; K391-L393 VanDerWaalsContact O-N 3.13Å; K391-T394 WeakPolarHBondContact O-CB 3.45Å; K391-T394 PolarHBondContact O-N 3.28Å; K391-T394 VanDerWaalsContact O-N 3.1Å; K391-T394 PolarHBondContact O-OG1 2.81Å; K391-E417 WeakPolarHBondContact CD-O 3.27Å; K391-E417 PolarHBondContact NZ-O 2.94Å; K391-L418 CarbonylContact C-O 3.49Å; K391-L418 WeakPolarHBondContact CB-O 3.33Å
392	P	64	Low	54.2	Low	64 Å²	64	91.6 Å²	91.6	42%	0.416	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.5	-163.8	21.3	-32.7	0	0	0	115.3	L418 V465 L472	P392-L418 HydrophobicContact CG-CD2 3.94Å; P392-V465 HydrophobicContact CB-CG1 3.81Å; P392-V465 HydrophobicContact CG-CG1 3.54Å; P392-L472 HydrophobicContact CB-CD1 4.22Å; P392-L472 WeakPolarHBondContact O-CD1 3.48Å
393	L	68.4	Low	56.3	Low	0 Å²	0	89.1 Å²	89.1	0%	0	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.8	179.3	-60.6	178.3	0	0	0	113.8	K391 G395 M396 L398 L418 G419 G420 F461 L462 L472	K391-L393 VanDerWaalsContact C-N 3.31Å; K391-L393 PolarHBondContact O-N 2.88Å; K391-L393 VanDerWaalsContact O-N 3.13Å; L393-G395 PolarHBondContact O-N 3.44Å; L393-M396 HydrophobicContact CD2-SD 4.06Å; L393-M396 WeakPolarHBondContact O-CB 3.42Å; L393-M396 PolarHBondContact O-N 2.98Å; L393-M396 VanDerWaalsContact O-N 3.08Å; L393-L398 HydrophobicContact CD1-CD1 4.31Å; L393-L418 WeakPolarHBondContact CA-O 3.48Å; L393-L418 HydrophobicContact CB-CB 4.23Å; L393-L418 WeakPolarHBondContact CB-O 3.49Å; L393-L418 HydrophobicContact CD1-CB 3.75Å; L393-L418 HydrophobicContact CD1-CD1 3.91Å; L393-L418 HydrophobicContact CG-CB 4.02Å; L393-L418 PolarHBondContact N-O 2.85Å; L393-G419 CarbonylContact O-C 3.56Å; L393-G420 WeakPolarHBondContact O-CA 3.48Å; L393-G420 PolarHBondContact O-N 3.26Å; L393-F461 HydrophobicContact CD2-CE1 4.1Å; L393-F461 HydrophobicContact CD2-CZ 4.25Å; L393-L462 HydrophobicContact CD1-CD2 4.08Å; L393-L472 HydrophobicContact CD2-CD1 3.76Å; L393-L472 HydrophobicContact CD2-CD2 4.5Å
394	T	70.9	Confident	58.5	Low	81 Å²	81	82.4 Å²	82.4	50%	0.497	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	120.5	-176.4	-58.7	0	0	0	0	111.8	K391 G419	K391-T394 WeakPolarHBondContact O-CB 3.45Å; K391-T394 PolarHBondContact O-N 3.28Å; K391-T394 VanDerWaalsContact O-N 3.1Å; K391-T394 PolarHBondContact O-OG1 2.81Å; T394-G419 WeakPolarHBondContact CA-O 3.34Å
395	G	63.4	Low	60.3	Low	75 Å²	75	79 Å²	79	77%	0.773	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-3.2	177.7	0	0	0	0	0	115.4	L393	L393-G395 PolarHBondContact O-N 3.44Å
396	M	74.3	Confident	62.3	Low	20 Å²	20	73.7 Å²	73.7	10%	0.099	46%	0.46	C	S	.	.			trans	-92	145.2	-178.2	-58.8	-174.5	80.5	0	0	112.7	L393 L398 G420 K421 L431 L472 V488	L393-M396 HydrophobicContact CD2-SD 4.06Å; L393-M396 WeakPolarHBondContact O-CB 3.42Å; L393-M396 PolarHBondContact O-N 2.98Å; L393-M396 VanDerWaalsContact O-N 3.08Å; M396-L398 HydrophobicContact CB-CD1 4.25Å; M396-G420 WeakPolarHBondContact O-CA 3.44Å; M396-K421 PolarHBondContact O-N 2.83Å; M396-L431 HydrophobicContact CE-CD1 3.34Å; M396-L472 HydrophobicContact CE-CD2 3.98Å; M396-L472 HydrophobicContact SD-CD2 3.41Å; M396-L472 WeakPolarHBondContact SD-CD2 3.43Å; M396-V488 HydrophobicContact CE-CG1 4.25Å; M396-V488 HydrophobicContact CE-CG2 4.36Å
397	K	79.9	Confident	64.2	Low	92 Å²	92	74.6 Å²	74.6	40%	0.4	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.9	174.3	-71.1	176.3	-175.4	168.4	0	110.3	K421 T423 K428 A429 S430 L431	K397-K421 CarbonylContact C-O 3.35Å; K397-K421 WeakPolarHBondContact CA-O 3.32Å; K397-T423 HydrophobicContact CB-CG2 4.16Å; K397-K428 WeakPolarHBondContact CB-O 3.42Å; K397-K428 WeakPolarHBondContact CD-O 3.26Å; K397-A429 CarbonylContact O-C 3.54Å; K397-A429 WeakPolarHBondContact O-CA 3.15Å; K397-S430 PolarHBondContact N-OG 3.16Å; K397-S430 WeakPolarHBondContact O-CB 3.31Å; K397-S430 PolarHBondContact O-N 3Å; K397-L431 PolarHBondContact O-N 3.37Å
398	L	80.4	Confident	66.1	Low	1 Å²	1	77.9 Å²	77.9	1%	0.005	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	-179.7	-69.5	87.7	0	0	0	110.5	L393 M396 V415 K421 I422 T423 L431 L433	L393-L398 HydrophobicContact CD1-CD1 4.31Å; M396-L398 HydrophobicContact CB-CD1 4.25Å; L398-V415 HydrophobicContact CB-CG1 4.5Å; L398-V415 HydrophobicContact CD1-CG1 3.89Å; L398-V415 HydrophobicContact CD2-CG2 4.4Å; L398-K421 PolarHBondContact N-O 3.27Å; L398-I422 CarbonylContact O-C 3.44Å; L398-I422 WeakPolarHBondContact O-CA 3.41Å; L398-T423 PolarHBondContact O-N 2.91Å; L398-L431 CarbonylContact C-O 3.44Å; L398-L431 VanDerWaalsContact CA-O 3.32Å; L398-L431 WeakPolarHBondContact CA-O 3.47Å; L398-L431 HydrophobicContact CG-CB 4.43Å; L398-L433 HydrophobicContact CD2-CD1 3.81Å; L398-L433 HydrophobicContact CD2-CG 4.2Å
399	L	82.3	Confident	67.7	Low	15 Å²	15	77.8 Å²	77.8	8%	0.079	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	171.4	176.4	68.5	0	0	0	108.5	V401 T423 A426 A429 L431 C432 L433 V449	L399-V401 HydrophobicContact CD1-CG2 4.48Å; L399-V401 HydrophobicContact CD2-CG2 3.74Å; L399-V401 HydrophobicContact CG-CG2 3.8Å; L399-T423 HydrophobicContact CB-CG2 4.39Å; L399-T423 WeakPolarHBondContact CD1-O 3.4Å; L399-A426 HydrophobicContact CD2-CB 4.18Å; L399-A429 HydrophobicContact CB-CB 3.69Å; L399-L431 PolarHBondContact N-O 3.4Å; L399-C432 CarbonylContact O-C 3.49Å; L399-C432 VanDerWaalsContact O-CA 3.25Å; L399-C432 WeakPolarHBondContact O-CA 3.37Å; L399-L433 PolarHBondContact O-N 3.28Å; L399-V449 HydrophobicContact CD2-CG2 3.47Å; L399-V449 VanDerWaalsContact CD2-CG2 3.47Å
400	A	80.8	Confident	69.2	Low	29 Å²	29	76.9 Å²	76.9	24%	0.24	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.2	172.4	0	0	0	0	0	109.3	L404	A400-L404 HydrophobicContact CB-CD1 3.9Å
401	V	74.9	Confident	70.3	Confident	16 Å²	16	70.1 Å²	70.1	10%	0.097	39%	0.39	C	S	.	.			trans	-122.4	110.3	177	-176.8	0	0	0	0	107.8	L399 L433 S434 E438 K445 V449	L399-V401 HydrophobicContact CD1-CG2 4.48Å; L399-V401 HydrophobicContact CD2-CG2 3.74Å; L399-V401 HydrophobicContact CG-CG2 3.8Å; V401-L433 PolarHBondContact N-O 2.99Å; V401-S434 WeakPolarHBondContact O-CA 3.09Å; V401-S434 VanDerWaalsContact O-CB 3.28Å; V401-S434 WeakPolarHBondContact O-CB 3.45Å; V401-S434 PolarHBondContact O-OG 2.95Å; V401-E438 VanDerWaalsContact C-OE2 3.32Å; V401-E438 VanDerWaalsContact O-OE2 3.05Å; V401-K445 HydrophobicContact CG1-CB 4.28Å; V401-V449 HydrophobicContact CG2-CG2 4.47Å
402	G	70.9	Confident	70.9	Confident	41 Å²	41	69.3 Å²	69.3	42%	0.423	39%	0.387	S	S	.	.	S	Bend	trans	134.7	-176.8	161.4	0	0	0	0	0	119.5	L404 E438	G402-L404 VanDerWaalsContact C-N 3.31Å; G402-L404 PolarHBondContact O-N 2.92Å; G402-L404 VanDerWaalsContact O-N 3.12Å; G402-E438 WeakPolarHBondContact CA-OE1 3.36Å; G402-E438 WeakPolarHBondContact CA-OE2 3.46Å; G402-E438 PolarHBondContact N-OE2 3.35Å
403	K	66.7	Low	71.5	Confident	195 Å²	195	69 Å²	69	85%	0.848	39%	0.389	S	S	*	.			trans	-75.8	88	161.9	-80.6	-170	179.7	-175.3	0	109.2	E438	K403-E438 PolarHBondContact N-OE1 2.79Å
404	L	68.8	Low	71.7	Confident	28 Å²	28	69.5 Å²	69.5	15%	0.147	39%	0.394	C	S	.	.			trans	-87.1	155.4	177.6	-60.2	179.1	0	0	0	111	A400 G402 K406 L411 E459	A400-L404 HydrophobicContact CB-CD1 3.9Å; G402-L404 VanDerWaalsContact C-N 3.31Å; G402-L404 PolarHBondContact O-N 2.92Å; G402-L404 VanDerWaalsContact O-N 3.12Å; L404-K406 VanDerWaalsContact C-N 3.26Å; L404-K406 PolarHBondContact O-N 2.84Å; L404-L411 HydrophobicContact CB-CD1 3.95Å; L404-L411 HydrophobicContact CD1-CD1 3.43Å; L404-L411 VanDerWaalsContact CD1-CD1 3.43Å; L404-L411 HydrophobicContact CG-CD1 4.32Å; L404-E459 WeakPolarHBondContact CA-OE1 3.23Å; L404-E459 VanDerWaalsContact CB-CD 3.49Å; L404-E459 HydrophobicContact CB-CG 4.34Å; L404-E459 WeakPolarHBondContact CB-OE1 3.43Å; L404-E459 HydrophobicContact CD2-CG 3.86Å; L404-E459 WeakPolarHBondContact CD2-OE1 3.23Å; L404-E459 HydrophobicContact CG-CG 4.44Å
405	S	62.4	Low	71.9	Confident	106 Å²	106	65.7 Å²	65.7	74%	0.741	37%	0.37	S	S	*	.	S	Bend	trans	-68	-26.2	-177.3	71.4	0	0	0	0	113.2	E459	S405-E459 WeakPolarHBondContact CB-OE2 3.43Å; S405-E459 VanDerWaalsContact N-CD 3.33Å; S405-E459 PolarHBondContact N-OE1 3.43Å; S405-E459 PolarHBondContact N-OE2 2.93Å; S405-E459 PolarHBondContact OG-OE2 2.83Å
406	K	65.3	Low	72.6	Confident	87 Å²	87	66.9 Å²	66.9	38%	0.378	36%	0.356	S	S	.	.	S	Bend	trans	-103.5	144.8	174.2	-67.4	177.4	-176.9	170.8	0	111.1	L404 D410 L411	L404-K406 VanDerWaalsContact C-N 3.26Å; L404-K406 PolarHBondContact O-N 2.84Å; K406-D410 HydrophobicContact CB-CB 4.43Å; K406-L411 HydrophobicContact CB-CD1 4.42Å; K406-L411 HydrophobicContact CB-CD2 4.38Å; K406-L411 HydrophobicContact CB-CG 3.96Å
407	N	66.9	Low	72.7	Confident	122 Å²	122	71.5 Å²	71.5	65%	0.652	38%	0.377	S	S	*	.			trans	-65.6	155.3	176.6	-81.7	-23.8	0	0	0	111.2	D409 D410 L411	N407-D409 PolarHBondContact O-N 2.98Å; N407-D409 VanDerWaalsContact O-N 3.16Å; N407-D410 PolarHBondContact O-N 3.4Å; N407-L411 PolarHBondContact O-N 2.98Å
408	K	64.2	Low	72.4	Confident	160 Å²	160	67.8 Å²	67.8	70%	0.696	36%	0.361	S	S	*	.	H	α-helix	trans	-59	-31.5	-173.6	-165.8	177.8	178.7	-177.1	0	113.4	K412	K408-K412 WeakPolarHBondContact O-CB 3.32Å; K408-K412 PolarHBondContact O-N 2.75Å
409	D	67.2	Low	71.9	Confident	126 Å²	126	69 Å²	69	67%	0.674	37%	0.374	S	S	*	.	H	α-helix	trans	-75.7	-35.6	177.5	-63.7	-38.6	0	0	0	112.1	N407 K412 A413	N407-D409 PolarHBondContact O-N 2.98Å; N407-D409 VanDerWaalsContact O-N 3.16Å; D409-K412 PolarHBondContact O-N 3.2Å; D409-A413 PolarHBondContact O-N 3.2Å
410	D	70.5	Confident	71.7	Confident	94 Å²	94	68.4 Å²	68.4	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-70	-38.2	176.3	-59.1	-34.4	0	0	0	111.9	K406 N407 K412 A413 A414	K406-D410 HydrophobicContact CB-CB 4.43Å; N407-D410 PolarHBondContact O-N 3.4Å; D410-K412 VanDerWaalsContact C-N 3.32Å; D410-A413 PolarHBondContact O-N 2.73Å; D410-A414 WeakPolarHBondContact O-CB 3.36Å; D410-A414 PolarHBondContact O-N 3.25Å
411	L	71.3	Confident	71.6	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-38.4	173	-79.3	164.6	0	0	0	111.6	L404 K406 N407 A414 V415 I422 L462	L404-L411 HydrophobicContact CB-CD1 3.95Å; L404-L411 HydrophobicContact CD1-CD1 3.43Å; L404-L411 VanDerWaalsContact CD1-CD1 3.43Å; L404-L411 HydrophobicContact CG-CD1 4.32Å; K406-L411 HydrophobicContact CB-CD1 4.42Å; K406-L411 HydrophobicContact CB-CD2 4.38Å; K406-L411 HydrophobicContact CB-CG 3.96Å; N407-L411 PolarHBondContact O-N 2.98Å; L411-A414 PolarHBondContact O-N 2.84Å; L411-V415 WeakPolarHBondContact O-CB 3.28Å; L411-V415 VanDerWaalsContact O-CG2 3.25Å; L411-V415 WeakPolarHBondContact O-CG2 3.31Å; L411-V415 PolarHBondContact O-N 3.37Å; L411-I422 HydrophobicContact CB-CD1 4.38Å; L411-L462 HydrophobicContact CD2-CD1 3.56Å
412	K	75.9	Confident	71.7	Confident	99 Å²	99	75.4 Å²	75.4	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-65.4	-45.2	176.4	-168.6	-179.2	173	-166.9	0	111.3	K408 D409 D410 V415 E416 I422	K408-K412 WeakPolarHBondContact O-CB 3.32Å; K408-K412 PolarHBondContact O-N 2.75Å; D409-K412 PolarHBondContact O-N 3.2Å; D410-K412 VanDerWaalsContact C-N 3.32Å; K412-V415 PolarHBondContact O-N 2.89Å; K412-E416 WeakPolarHBondContact CE-OE1 3.48Å; K412-E416 WeakPolarHBondContact O-CB 3.41Å; K412-E416 WeakPolarHBondContact O-CG 3.28Å; K412-E416 PolarHBondContact O-N 3.36Å; K412-I422 HydrophobicContact CB-CD1 3.84Å; K412-I422 HydrophobicContact CG-CD1 4.24Å; K412-I422 HydrophobicContact CG-CG1 4.43Å
413	A	76.3	Confident	72	Confident	57 Å²	57	74.6 Å²	74.6	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-45.5	175	0	0	0	0	0	111.7	D409 D410 V415 E416 E417	D409-A413 PolarHBondContact O-N 3.2Å; D410-A413 PolarHBondContact O-N 2.73Å; A413-V415 PolarHBondContact O-N 3.31Å; A413-E416 PolarHBondContact O-N 3.29Å; A413-E417 VanDerWaalsContact O-CB 3.27Å; A413-E417 WeakPolarHBondContact O-CB 2.77Å; A413-E417 PolarHBondContact O-N 3.26Å
414	A	73.5	Confident	72.2	Confident	12 Å²	12	68.6 Å²	68.6	10%	0.099	38%	0.378	C	S	.	.	H	α-helix	trans	-65.1	-37.6	179.7	0	0	0	0	0	113.4	D410 L411 L418	D410-A414 WeakPolarHBondContact O-CB 3.36Å; D410-A414 PolarHBondContact O-N 3.25Å; L411-A414 PolarHBondContact O-N 2.84Å; A414-L418 WeakPolarHBondContact O-CG 3.35Å; A414-L418 PolarHBondContact O-N 3.17Å
415	V	75.1	Confident	72.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-72.5	-40.1	177.5	168.6	0	0	0	0	111.6	L398 L411 K412 A413 L418 G419 G420 I422 L433 L462	L398-V415 HydrophobicContact CB-CG1 4.5Å; L398-V415 HydrophobicContact CD1-CG1 3.89Å; L398-V415 HydrophobicContact CD2-CG2 4.4Å; L411-V415 WeakPolarHBondContact O-CB 3.28Å; L411-V415 VanDerWaalsContact O-CG2 3.25Å; L411-V415 WeakPolarHBondContact O-CG2 3.31Å; L411-V415 PolarHBondContact O-N 3.37Å; K412-V415 PolarHBondContact O-N 2.89Å; A413-V415 PolarHBondContact O-N 3.31Å; V415-L418 PolarHBondContact O-N 2.77Å; V415-G419 PolarHBondContact O-N 2.86Å; V415-G420 PolarHBondContact O-N 2.88Å; V415-I422 HydrophobicContact CB-CD1 4.43Å; V415-I422 HydrophobicContact CB-CG1 4.1Å; V415-I422 HydrophobicContact CG1-CG1 4.04Å; V415-I422 HydrophobicContact CG2-CD1 4.34Å; V415-I422 HydrophobicContact CG2-CG1 4.3Å; V415-L433 HydrophobicContact CG2-CD1 4.39Å; V415-L462 HydrophobicContact CG2-CD1 4Å; V415-L462 HydrophobicContact CG2-CD2 3.87Å
416	E	78.1	Confident	72.9	Confident	101 Å²	101	65.9 Å²	65.9	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-69.6	-36.2	177.4	-73.5	177.7	176.9	0	0	112	K412 A413 L418 G419	K412-E416 WeakPolarHBondContact CE-OE1 3.48Å; K412-E416 WeakPolarHBondContact O-CB 3.41Å; K412-E416 WeakPolarHBondContact O-CG 3.28Å; K412-E416 PolarHBondContact O-N 3.36Å; A413-E416 PolarHBondContact O-N 3.29Å; E416-L418 VanDerWaalsContact C-N 3.25Å; E416-L418 PolarHBondContact O-N 2.92Å; E416-G419 PolarHBondContact O-N 3.41Å; E416-G419 VanDerWaalsContact O-N 3.11Å
417	E	75.2	Confident	73.3	Confident	116 Å²	116	68 Å²	68	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-38	174.7	-170.5	-176.3	175.1	0	0	111.9	K391 A413 K466	K391-E417 WeakPolarHBondContact CD-O 3.27Å; K391-E417 PolarHBondContact NZ-O 2.94Å; A413-E417 VanDerWaalsContact O-CB 3.27Å; A413-E417 WeakPolarHBondContact O-CB 2.77Å; A413-E417 PolarHBondContact O-N 3.26Å; E417-K466 IonicContact OE1-NZ 2.99Å; E417-K466 IonicContact OE2-NZ 3.26Å; E417-K466 PolarHBondContact OE2-NZ 3.41Å
418	L	73.6	Confident	73.5	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.073	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.7	178.3	-66.9	174.4	0	0	0	114.4	K391 P392 L393 A414 V415 E416 L462 V465 K466	K391-L418 CarbonylContact C-O 3.49Å; K391-L418 WeakPolarHBondContact CB-O 3.33Å; P392-L418 HydrophobicContact CG-CD2 3.94Å; L393-L418 WeakPolarHBondContact CA-O 3.48Å; L393-L418 HydrophobicContact CB-CB 4.23Å; L393-L418 WeakPolarHBondContact CB-O 3.49Å; L393-L418 HydrophobicContact CD1-CB 3.75Å; L393-L418 HydrophobicContact CD1-CD1 3.91Å; L393-L418 HydrophobicContact CG-CB 4.02Å; L393-L418 PolarHBondContact N-O 2.85Å; A414-L418 WeakPolarHBondContact O-CG 3.35Å; A414-L418 PolarHBondContact O-N 3.17Å; V415-L418 PolarHBondContact O-N 2.77Å; E416-L418 VanDerWaalsContact C-N 3.25Å; E416-L418 PolarHBondContact O-N 2.92Å; L418-L462 HydrophobicContact CD1-CD2 4.18Å; L418-V465 HydrophobicContact CD1-CB 4.39Å; L418-V465 HydrophobicContact CD1-CG1 3.89Å; L418-V465 HydrophobicContact CD2-CG1 4.23Å; L418-K466 HydrophobicContact CD1-CG 4.2Å; L418-K466 HydrophobicContact CD2-CG 3.84Å; L418-K466 HydrophobicContact CG-CG 4.39Å
419	G	69.9	Low	74.2	Confident	26 Å²	26	61.6 Å²	61.6	27%	0.268	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	1.8	175.1	0	0	0	0	0	116.2	L393 T394 V415 E416	L393-G419 CarbonylContact O-C 3.56Å; T394-G419 WeakPolarHBondContact CA-O 3.34Å; V415-G419 PolarHBondContact O-N 2.86Å; E416-G419 PolarHBondContact O-N 3.41Å; E416-G419 VanDerWaalsContact O-N 3.11Å
420	G	78.4	Confident	74.7	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.031	33%	0.326	C	S	.	.			trans	-92.5	173.2	178.3	0	0	0	0	0	113.7	L393 M396 V415	L393-G420 WeakPolarHBondContact O-CA 3.48Å; L393-G420 PolarHBondContact O-N 3.26Å; M396-G420 WeakPolarHBondContact O-CA 3.44Å; V415-G420 PolarHBondContact O-N 2.88Å
421	K	78.1	Confident	75.2	Confident	144 Å²	144	53.4 Å²	53.4	63%	0.626	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.9	174.8	-70.5	-176.9	179.5	178.4	0	112	M396 K397 L398	M396-K421 PolarHBondContact O-N 2.83Å; K397-K421 CarbonylContact C-O 3.35Å; K397-K421 WeakPolarHBondContact CA-O 3.32Å; L398-K421 PolarHBondContact N-O 3.27Å
422	I	77.6	Confident	75.7	Confident	48 Å²	48	53.2 Å²	53.2	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.8	173.2	-62.3	-167.8	0	0	0	111	L398 L411 K412 V415	L398-I422 CarbonylContact O-C 3.44Å; L398-I422 WeakPolarHBondContact O-CA 3.41Å; L411-I422 HydrophobicContact CB-CD1 4.38Å; K412-I422 HydrophobicContact CB-CD1 3.84Å; K412-I422 HydrophobicContact CG-CD1 4.24Å; K412-I422 HydrophobicContact CG-CG1 4.43Å; V415-I422 HydrophobicContact CB-CD1 4.43Å; V415-I422 HydrophobicContact CB-CG1 4.1Å; V415-I422 HydrophobicContact CG1-CG1 4.04Å; V415-I422 HydrophobicContact CG2-CD1 4.34Å; V415-I422 HydrophobicContact CG2-CG1 4.3Å
423	T	77	Confident	76	Confident	25 Å²	25	48.5 Å²	48.5	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	152	173.1	-169.7	0	0	0	0	111	K397 L398 L399 A429	K397-T423 HydrophobicContact CB-CG2 4.16Å; L398-T423 PolarHBondContact O-N 2.91Å; L399-T423 HydrophobicContact CB-CG2 4.39Å; L399-T423 WeakPolarHBondContact CD1-O 3.4Å; T423-A429 HydrophobicContact CG2-CB 3.7Å
424	G	71.1	Confident	76.2	Confident	69 Å²	69	45.8 Å²	45.8	71%	0.711	26%	0.258	S	S	*	.	S	Bend	trans	-96	3.2	175.7	0	0	0	0	0	114.2
425	T	72.9	Confident	76.6	Confident	72 Å²	72	46.9 Å²	46.9	44%	0.442	27%	0.265	S	S	.	.			trans	-125	126.4	-172.7	-47.6	0	0	0	0	110.7	N427 K428	T425-N427 PolarHBondContact O-N 3.35Å; T425-K428 PolarHBondContact O-N 3.1Å
426	A	72.9	Confident	76.6	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.033	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.4	-47.6	-179.1	0	0	0	0	0	113.1	L399 K428 A429 E448 V449 A452 V454	L399-A426 HydrophobicContact CD2-CB 4.18Å; A426-K428 PolarHBondContact O-N 2.93Å; A426-A429 WeakPolarHBondContact O-CB 3.34Å; A426-A429 PolarHBondContact O-N 3.3Å; A426-E448 HydrophobicContact CB-CB 4.25Å; A426-V449 HydrophobicContact CB-CG2 3.78Å; A426-A452 HydrophobicContact CB-CB 4.18Å; A426-V454 WeakPolarHBondContact O-CG2 3.43Å
427	N	72.9	Confident	76.4	Confident	131 Å²	131	57.1 Å²	57.1	70%	0.701	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-65.3	-6.5	-176.3	-59.2	8.8	0	0	0	115.4	T425 A452	T425-N427 PolarHBondContact O-N 3.35Å; N427-A452 WeakPolarHBondContact OD1-CB 3.08Å
428	K	72.8	Confident	76.2	Confident	137 Å²	137	54 Å²	54	60%	0.596	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-115.8	0.4	178.9	-66.3	-178.7	-179.6	174.7	0	112.4	K397 T425 A426	K397-K428 WeakPolarHBondContact CB-O 3.42Å; K397-K428 WeakPolarHBondContact CD-O 3.26Å; T425-K428 PolarHBondContact O-N 3.1Å; A426-K428 PolarHBondContact O-N 2.93Å
429	A	78.5	Confident	76.1	Confident	11 Å²	11	53.9 Å²	53.9	9%	0.091	29%	0.293	C	S	.	.			trans	-90.2	135.2	-179	0	0	0	0	0	110.3	K397 L399 T423 A426 V454	K397-A429 CarbonylContact O-C 3.54Å; K397-A429 WeakPolarHBondContact O-CA 3.15Å; L399-A429 HydrophobicContact CB-CB 3.69Å; T423-A429 HydrophobicContact CG2-CB 3.7Å; A426-A429 WeakPolarHBondContact O-CB 3.34Å; A426-A429 PolarHBondContact O-N 3.3Å; A429-V454 HydrophobicContact CB-CG1 4.19Å; A429-V454 VanDerWaalsContact O-CG2 3.31Å; A429-V454 WeakPolarHBondContact O-CG2 3.07Å
430	S	78.1	Confident	76.2	Confident	48 Å²	48	60.1 Å²	60.1	34%	0.336	32%	0.315	S	S	.	.	S	Bend	trans	-79.3	-34.4	171.1	-46.8	0	0	0	0	111.3	K397	K397-S430 PolarHBondContact N-OG 3.16Å; K397-S430 WeakPolarHBondContact O-CB 3.31Å; K397-S430 PolarHBondContact O-N 3Å
431	L	79.7	Confident	76	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.3	178	-87.7	123	0	0	0	110.7	M396 K397 L398 L399 V457 V476 V488	M396-L431 HydrophobicContact CE-CD1 3.34Å; K397-L431 PolarHBondContact O-N 3.37Å; L398-L431 CarbonylContact C-O 3.44Å; L398-L431 VanDerWaalsContact CA-O 3.32Å; L398-L431 WeakPolarHBondContact CA-O 3.47Å; L398-L431 HydrophobicContact CG-CB 4.43Å; L399-L431 PolarHBondContact N-O 3.4Å; L431-V457 HydrophobicContact CD2-CB 4.3Å; L431-V457 HydrophobicContact CD2-CG1 3.53Å; L431-V457 HydrophobicContact CD2-CG2 3.73Å; L431-V476 HydrophobicContact CD1-CG2 4.16Å; L431-V476 HydrophobicContact CD2-CG1 3.92Å; L431-V476 HydrophobicContact CD2-CG2 3.97Å; L431-V488 HydrophobicContact CD1-CG2 4.23Å
432	C	82.4	Confident	75.5	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.1	173.9	-172.3	0	0	0	0	110.5	L399 V449 V454 R455 V456 V457	L399-C432 CarbonylContact O-C 3.49Å; L399-C432 VanDerWaalsContact O-CA 3.25Å; L399-C432 WeakPolarHBondContact O-CA 3.37Å; C432-V449 HydrophobicContact CB-CG1 3.89Å; C432-V454 HydrophobicContact CB-CG1 4.2Å; C432-R455 PolarHBondContact N-O 2.87Å; C432-V456 HydrophobicContact CB-CB 4.29Å; C432-V456 HydrophobicContact CB-CG1 4.27Å; C432-V456 HydrophobicContact CB-CG2 3.78Å; C432-V456 CarbonylContact O-C 3.58Å; C432-V456 WeakPolarHBondContact O-CA 3.28Å; C432-V456 WeakPolarHBondContact O-CG1 3.19Å; C432-V457 PolarHBondContact O-N 3.15Å
433	L	81.9	Confident	75.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118	171.6	-71.3	160.9	0	0	0	108.5	L398 L399 V401 V415 V457 S458 F461 L462	L398-L433 HydrophobicContact CD2-CD1 3.81Å; L398-L433 HydrophobicContact CD2-CG 4.2Å; L399-L433 PolarHBondContact O-N 3.28Å; V401-L433 PolarHBondContact N-O 2.99Å; V415-L433 HydrophobicContact CG2-CD1 4.39Å; L433-V457 WeakPolarHBondContact CA-O 3.42Å; L433-V457 HydrophobicContact CD2-CG2 3.79Å; L433-V457 HydrophobicContact CG-CG2 4.44Å; L433-S458 WeakPolarHBondContact CD2-O 3.2Å; L433-F461 HydrophobicContact CD2-CD1 4.4Å; L433-L462 HydrophobicContact CD1-CD1 3.73Å; L433-L462 HydrophobicContact CD1-CD2 4.43Å; L433-L462 HydrophobicContact CD1-CG 4.16Å; L433-L462 HydrophobicContact CD2-CD1 4.47Å; L433-L462 HydrophobicContact CD2-CG 4.25Å
434	S	81.5	Confident	75.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.367	C	S	.	.			trans	-149.6	175.1	177.6	-161.8	0	0	0	0	112	V401 E438 V457 I481	V401-S434 WeakPolarHBondContact O-CA 3.09Å; V401-S434 VanDerWaalsContact O-CB 3.28Å; V401-S434 WeakPolarHBondContact O-CB 3.45Å; V401-S434 PolarHBondContact O-OG 2.95Å; S434-E438 PolarHBondContact OG-OE2 3.34Å; S434-V457 PolarHBondContact N-O 2.87Å; S434-V457 VanDerWaalsContact N-O 3.07Å; S434-I481 WeakPolarHBondContact O-CD1 3.44Å
435	S	80.6	Confident	75.5	Confident	34 Å²	34	73.6 Å²	73.6	24%	0.238	36%	0.361	C	S	.	.			trans	-102.8	150.6	176.2	72.2	0	0	0	0	111.1	K437 E438 V439	S435-K437 PolarHBondContact O-N 2.9Å; S435-K437 VanDerWaalsContact O-N 3.13Å; S435-E438 PolarHBondContact O-N 3.38Å; S435-V439 PolarHBondContact O-N 2.97Å
436	K	75.6	Confident	75.7	Confident	143 Å²	143	70.4 Å²	70.4	62%	0.622	34%	0.341	S	S	*	.	H	α-helix	trans	-52.2	-38.5	179	-71.2	-176.7	178.2	178.1	0	112.8	E438 V439 E440 I481	K436-E438 VanDerWaalsContact C-N 3.28Å; K436-E438 PolarHBondContact O-N 3.02Å; K436-V439 PolarHBondContact O-N 3.45Å; K436-E440 WeakPolarHBondContact O-CG 3.5Å; K436-E440 PolarHBondContact O-N 2.87Å; K436-E440 VanDerWaalsContact O-N 3.09Å; K436-I481 HydrophobicContact CD-CG2 4.39Å; K436-I481 HydrophobicContact CG-CB 4.12Å; K436-I481 HydrophobicContact CG-CG2 3.73Å
437	K	73.6	Confident	75.8	Confident	173 Å²	173	74 Å²	74	75%	0.752	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-28.8	178.4	-67.4	-175.6	178.7	179.3	0	113.7	S435 K441	S435-K437 PolarHBondContact O-N 2.9Å; S435-K437 VanDerWaalsContact O-N 3.13Å; K437-K441 WeakPolarHBondContact O-CB 3.39Å; K437-K441 PolarHBondContact O-N 3.34Å
438	E	71.4	Confident	76	Confident	51 Å²	51	72.4 Å²	72.4	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-86	-30.9	177.4	-89.2	-168.5	-168.1	0	0	113.7	V401 G402 K403 S434 S435 K436 E440 K441 M442	V401-E438 VanDerWaalsContact C-OE2 3.32Å; V401-E438 VanDerWaalsContact O-OE2 3.05Å; G402-E438 WeakPolarHBondContact CA-OE1 3.36Å; G402-E438 WeakPolarHBondContact CA-OE2 3.46Å; G402-E438 PolarHBondContact N-OE2 3.35Å; K403-E438 PolarHBondContact N-OE1 2.79Å; S434-E438 PolarHBondContact OG-OE2 3.34Å; S435-E438 PolarHBondContact O-N 3.38Å; K436-E438 VanDerWaalsContact C-N 3.28Å; K436-E438 PolarHBondContact O-N 3.02Å; E438-E440 VanDerWaalsContact C-N 3.31Å; E438-K441 PolarHBondContact O-N 2.87Å; E438-M442 PolarHBondContact O-N 3.1Å
439	V	71.2	Confident	76.3	Confident	12 Å²	12	65.9 Å²	65.9	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-40.6	170.8	-175.5	0	0	0	0	110.3	S435 K436 K441 M442 M446 V456 I481 W484	S435-V439 PolarHBondContact O-N 2.97Å; K436-V439 PolarHBondContact O-N 3.45Å; V439-K441 VanDerWaalsContact C-N 3.35Å; V439-M442 WeakPolarHBondContact O-CG 3.47Å; V439-M446 HydrophobicContact CB-CE 4.36Å; V439-M446 HydrophobicContact CG1-CE 4.31Å; V439-M446 HydrophobicContact CG2-CE 3.73Å; V439-V456 HydrophobicContact CG2-CG1 4.18Å; V439-I481 HydrophobicContact CG2-CD1 3.67Å; V439-I481 HydrophobicContact CG2-CG1 4Å; V439-W484 HydrophobicContact CG1-CH2 3.58Å; V439-W484 HydrophobicContact CG1-CZ2 4.23Å; V439-W484 HydrophobicContact CG1-CZ3 4.27Å
440	E	71.1	Confident	76.2	Confident	156 Å²	156	69.9 Å²	69.9	73%	0.729	33%	0.33	S	S	*	.	H	α-helix	trans	-68.6	-31.4	175.8	-71.6	172.2	176.8	0	0	113.1	K436 E438	K436-E440 WeakPolarHBondContact O-CG 3.5Å; K436-E440 PolarHBondContact O-N 2.87Å; K436-E440 VanDerWaalsContact O-N 3.09Å; E438-E440 VanDerWaalsContact C-N 3.31Å
441	K	75.6	Confident	76.2	Confident	176 Å²	176	73.2 Å²	73.2	77%	0.765	34%	0.344	S	S	*	.	H	α-helix	trans	-79.1	-17.6	-178	-169.4	173.8	178.3	-179.7	0	113.8	K437 E438 V439 G443	K437-K441 WeakPolarHBondContact O-CB 3.39Å; K437-K441 PolarHBondContact O-N 3.34Å; E438-K441 PolarHBondContact O-N 2.87Å; V439-K441 VanDerWaalsContact C-N 3.35Å; K441-G443 PolarHBondContact O-N 3.32Å
442	M	68.2	Low	76	Confident	53 Å²	53	74.9 Å²	74.9	26%	0.261	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	55.7	177.1	-66.5	-64.5	-90	0	0	114.3	E438 V439 M446 W484	E438-M442 PolarHBondContact O-N 3.1Å; V439-M442 WeakPolarHBondContact O-CG 3.47Å; M442-M446 HydrophobicContact SD-CG 4.34Å; M442-W484 HydrophobicContact CE-CH2 4.04Å; M442-W484 HydrophobicContact CE-CZ3 4.31Å; M442-W484 HydrophobicContact SD-CH2 3.62Å; M442-W484 HydrophobicContact SD-CZ2 4.38Å; M442-W484 HydrophobicContact SD-CZ3 4.28Å
443	G	75.7	Confident	75.5	Confident	36 Å²	36	76.8 Å²	76.8	37%	0.371	38%	0.378	S	S	.	.			trans	-69.3	164.7	175	0	0	0	0	0	113.3	K441 K445 M446 E447	K441-G443 PolarHBondContact O-N 3.32Å; G443-K445 VanDerWaalsContact C-N 3.28Å; G443-K445 PolarHBondContact O-N 3.14Å; G443-K445 VanDerWaalsContact O-N 3.07Å; G443-M446 WeakPolarHBondContact O-CA 3.45Å; G443-M446 VanDerWaalsContact O-CB 3.28Å; G443-M446 WeakPolarHBondContact O-CB 3.04Å; G443-M446 PolarHBondContact O-N 3.3Å; G443-E447 PolarHBondContact O-N 3.46Å
444	K	75.1	Confident	75.5	Confident	169 Å²	169	77.3 Å²	77.3	74%	0.735	38%	0.381	S	S	*	.	H	α-helix	trans	-49.4	-39.5	-175.5	-166.3	175.5	-177.9	177.2	0	115.3	E448	K444-E448 WeakPolarHBondContact O-CG 3.49Å; K444-E448 PolarHBondContact O-N 3.33Å
445	K	73.8	Confident	75.5	Confident	138 Å²	138	80 Å²	80	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-74.7	-26.3	175.7	-79.3	-174.9	176.8	176.7	0	113.7	V401 G443 V449	V401-K445 HydrophobicContact CG1-CB 4.28Å; G443-K445 VanDerWaalsContact C-N 3.28Å; G443-K445 PolarHBondContact O-N 3.14Å; G443-K445 VanDerWaalsContact O-N 3.07Å; K445-V449 VanDerWaalsContact O-CG2 3.27Å; K445-V449 WeakPolarHBondContact O-CG2 3.47Å; K445-V449 PolarHBondContact O-N 3.49Å; K445-V449 VanDerWaalsContact O-N 3.16Å
446	M	76.6	Confident	75.5	Confident	5 Å²	5	78.4 Å²	78.4	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-77.9	-34.3	176.7	-159.4	67.8	-161.4	0	0	111.1	V439 M442 G443 V449 R450 V456 W484	V439-M446 HydrophobicContact CB-CE 4.36Å; V439-M446 HydrophobicContact CG1-CE 4.31Å; V439-M446 HydrophobicContact CG2-CE 3.73Å; M442-M446 HydrophobicContact SD-CG 4.34Å; G443-M446 WeakPolarHBondContact O-CA 3.45Å; G443-M446 VanDerWaalsContact O-CB 3.28Å; G443-M446 WeakPolarHBondContact O-CB 3.04Å; G443-M446 PolarHBondContact O-N 3.3Å; M446-V449 HydrophobicContact CE-CG1 4.43Å; M446-V449 PolarHBondContact O-N 3.04Å; M446-R450 PolarHBondContact O-N 3.32Å; M446-V456 HydrophobicContact CE-CB 3.96Å; M446-V456 HydrophobicContact CE-CG1 3.89Å; M446-V456 HydrophobicContact CE-CG2 3.17Å; M446-V456 HydrophobicContact SD-CG2 4.49Å; M446-W484 HydrophobicContact CE-CH2 4.36Å; M446-W484 HydrophobicContact CE-CZ2 3.64Å
447	E	75.9	Confident	75.9	Confident	81 Å²	81	71.6 Å²	71.6	38%	0.379	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-45.6	167.9	-65.6	-179.2	144.5	0	0	110.9	G443 V449 R450 D451	G443-E447 PolarHBondContact O-N 3.46Å; E447-V449 VanDerWaalsContact C-N 3.25Å; E447-V449 PolarHBondContact O-N 3.44Å; E447-R450 PolarHBondContact O-N 3.28Å; E447-R450 VanDerWaalsContact O-N 3.14Å; E447-D451 WeakPolarHBondContact O-CB 3.46Å; E447-D451 PolarHBondContact O-N 3.49Å
448	E	77.8	Confident	76.3	Confident	96 Å²	96	64.2 Å²	64.2	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-35.9	173.5	-72.1	171.1	-167.1	0	0	112.6	A426 K444 A452	A426-E448 HydrophobicContact CB-CB 4.25Å; K444-E448 WeakPolarHBondContact O-CG 3.49Å; K444-E448 PolarHBondContact O-N 3.33Å; E448-A452 WeakPolarHBondContact O-CB 3.14Å; E448-A452 PolarHBondContact O-N 2.75Å
449	V	78.4	Confident	76.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.2	-38.5	176.5	168.7	0	0	0	0	112	L399 V401 A426 C432 K445 M446 E447 G453 V454 V456	L399-V449 HydrophobicContact CD2-CG2 3.47Å; L399-V449 VanDerWaalsContact CD2-CG2 3.47Å; V401-V449 HydrophobicContact CG2-CG2 4.47Å; A426-V449 HydrophobicContact CB-CG2 3.78Å; C432-V449 HydrophobicContact CB-CG1 3.89Å; K445-V449 VanDerWaalsContact O-CG2 3.27Å; K445-V449 WeakPolarHBondContact O-CG2 3.47Å; K445-V449 PolarHBondContact O-N 3.49Å; K445-V449 VanDerWaalsContact O-N 3.16Å; M446-V449 HydrophobicContact CE-CG1 4.43Å; M446-V449 PolarHBondContact O-N 3.04Å; E447-V449 VanDerWaalsContact C-N 3.25Å; E447-V449 PolarHBondContact O-N 3.44Å; V449-G453 PolarHBondContact O-N 2.86Å; V449-V454 HydrophobicContact CG1-CB 4.1Å; V449-V454 PolarHBondContact O-N 2.74Å; V449-V454 VanDerWaalsContact O-N 3.09Å; V449-V456 HydrophobicContact CG1-CG2 3.69Å
450	R	76.5	Confident	76.5	Confident	96 Å²	96	67.2 Å²	67.2	36%	0.362	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-49.4	173.9	-178.9	-164.7	62.6	-155.7	-6.3	111.1	M446 E447 A452 G453 W484	M446-R450 PolarHBondContact O-N 3.32Å; E447-R450 PolarHBondContact O-N 3.28Å; E447-R450 VanDerWaalsContact O-N 3.14Å; R450-A452 PolarHBondContact O-N 2.87Å; R450-G453 PolarHBondContact O-N 3.23Å; R450-W484 HydrophobicContact CB-CD2 4.23Å; R450-W484 HydrophobicContact CB-CG 4.47Å; R450-W484 HydrophobicContact CB-CZ2 4.13Å; R450-W484 HydrophobicContact CG-CD2 3.87Å; R450-W484 HydrophobicContact CG-CE3 4.34Å; R450-W484 HydrophobicContact CG-CG 3.98Å
451	D	78	Confident	76.9	Confident	118 Å²	118	59.8 Å²	59.8	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-67.4	-26.3	-177	-61.7	-6.6	0	0	0	111.2	E447 G453	E447-D451 WeakPolarHBondContact O-CB 3.46Å; E447-D451 PolarHBondContact O-N 3.49Å; D451-G453 VanDerWaalsContact C-N 3.32Å
452	A	75.4	Confident	76.7	Confident	35 Å²	35	51.6 Å²	51.6	29%	0.289	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.9	170.8	0	0	0	0	0	114.5	A426 N427 E448 R450 V454	A426-A452 HydrophobicContact CB-CB 4.18Å; N427-A452 WeakPolarHBondContact OD1-CB 3.08Å; E448-A452 WeakPolarHBondContact O-CB 3.14Å; E448-A452 PolarHBondContact O-N 2.75Å; R450-A452 PolarHBondContact O-N 2.87Å; A452-V454 VanDerWaalsContact C-N 3.28Å; A452-V454 HydrophobicContact CB-CG2 4.05Å; A452-V454 PolarHBondContact O-N 3.39Å
453	G	72.8	Confident	77	Confident	40 Å²	40	51.9 Å²	51.9	41%	0.412	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	20.4	179.4	0	0	0	0	0	115	V449 R450 D451 G485	V449-G453 PolarHBondContact O-N 2.86Å; R450-G453 PolarHBondContact O-N 3.23Å; D451-G453 VanDerWaalsContact C-N 3.32Å; G453-G485 WeakPolarHBondContact O-CA 3.18Å
454	V	80.8	Confident	76.7	Confident	11 Å²	11	52.9 Å²	52.9	7%	0.067	27%	0.268	C	S	.	.			trans	-86.3	127.9	-175.5	178.8	0	0	0	0	110.8	A426 A429 C432 V449 A452	A426-V454 WeakPolarHBondContact O-CG2 3.43Å; A429-V454 HydrophobicContact CB-CG1 4.19Å; A429-V454 VanDerWaalsContact O-CG2 3.31Å; A429-V454 WeakPolarHBondContact O-CG2 3.07Å; C432-V454 HydrophobicContact CB-CG1 4.2Å; V449-V454 HydrophobicContact CG1-CB 4.1Å; V449-V454 PolarHBondContact O-N 2.74Å; V449-V454 VanDerWaalsContact O-N 3.09Å; A452-V454 VanDerWaalsContact C-N 3.28Å; A452-V454 HydrophobicContact CB-CG2 4.05Å; A452-V454 PolarHBondContact O-N 3.39Å
455	R	80.7	Confident	76.6	Confident	58 Å²	58	45.4 Å²	45.4	22%	0.219	24%	0.237	C	C	.	.			trans	-69.8	138.3	179.5	-173.3	68.2	106.5	148.1	6.9	111.4	C432 V476 S482 W484 G485	C432-R455 PolarHBondContact N-O 2.87Å; R455-V476 HydrophobicContact CG-CG1 4.43Å; R455-S482 WeakPolarHBondContact CD-OG 3.42Å; R455-S482 PolarHBondContact NH1-O 2.76Å; R455-W484 WeakPolarHBondContact CD-O 3.26Å; R455-G485 PolarHBondContact NE-O 3.34Å
456	V	82.2	Confident	76.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.7	-179.5	-172.3	0	0	0	0	110.4	C432 V439 M446 V449 I481 S482	C432-V456 HydrophobicContact CB-CB 4.29Å; C432-V456 HydrophobicContact CB-CG1 4.27Å; C432-V456 HydrophobicContact CB-CG2 3.78Å; C432-V456 CarbonylContact O-C 3.58Å; C432-V456 WeakPolarHBondContact O-CA 3.28Å; C432-V456 WeakPolarHBondContact O-CG1 3.19Å; V439-V456 HydrophobicContact CG2-CG1 4.18Å; M446-V456 HydrophobicContact CE-CB 3.96Å; M446-V456 HydrophobicContact CE-CG1 3.89Å; M446-V456 HydrophobicContact CE-CG2 3.17Å; M446-V456 HydrophobicContact SD-CG2 4.49Å; V449-V456 HydrophobicContact CG1-CG2 3.69Å; V456-I481 HydrophobicContact CB-CG1 4.18Å; V456-I481 HydrophobicContact CG1-CD1 3.85Å; V456-I481 HydrophobicContact CG1-CG1 3.76Å; V456-I481 WeakPolarHBondContact O-CG1 3.35Å; V456-I481 PolarHBondContact O-N 2.79Å; V456-S482 PolarHBondContact N-OG 2.63Å; V456-S482 PolarHBondContact O-N 2.99Å
457	V	83.6	Confident	75.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154	179.7	-68	0	0	0	0	111.2	L431 C432 L433 S434 F461 V476 H479	L431-V457 HydrophobicContact CD2-CB 4.3Å; L431-V457 HydrophobicContact CD2-CG1 3.53Å; L431-V457 HydrophobicContact CD2-CG2 3.73Å; C432-V457 PolarHBondContact O-N 3.15Å; L433-V457 WeakPolarHBondContact CA-O 3.42Å; L433-V457 HydrophobicContact CD2-CG2 3.79Å; L433-V457 HydrophobicContact CG-CG2 4.44Å; S434-V457 PolarHBondContact N-O 2.87Å; S434-V457 VanDerWaalsContact N-O 3.07Å; V457-F461 HydrophobicContact CB-CB 4.31Å; V457-F461 HydrophobicContact CB-CG 4.46Å; V457-F461 HydrophobicContact CG2-CB 4.23Å; V457-F461 HydrophobicContact CG2-CD1 4.17Å; V457-F461 HydrophobicContact CG2-CG 4.14Å; V457-V476 HydrophobicContact CG1-CG1 4.23Å; V457-H479 CarbonylContact C-O 3.54Å; V457-H479 WeakPolarHBondContact CA-O 3.46Å; V457-H479 HydrophobicContact CB-CB 4.42Å
458	S	81	Confident	74.6	Confident	18 Å²	18	45.8 Å²	45.8	13%	0.126	25%	0.253	C	S	.	.			trans	-69.4	163.7	174.5	62	0	0	0	0	112.2	L433 D460 F461 H479	L433-S458 WeakPolarHBondContact CD2-O 3.2Å; S458-D460 PolarHBondContact O-N 2.81Å; S458-F461 VanDerWaalsContact O-CB 3.24Å; S458-F461 WeakPolarHBondContact O-CB 3.34Å; S458-F461 PolarHBondContact O-N 3.45Å; S458-H479 PolarHBondContact N-O 3.43Å; S458-H479 PolarHBondContact OG-ND1 3.23Å
459	E	72.9	Confident	73.5	Confident	28 Å²	28	45.6 Å²	45.6	13%	0.131	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.6	175.5	-71.4	175.1	-127.7	0	0	113.6	L404 S405 F461 L462	L404-E459 WeakPolarHBondContact CA-OE1 3.23Å; L404-E459 VanDerWaalsContact CB-CD 3.49Å; L404-E459 HydrophobicContact CB-CG 4.34Å; L404-E459 WeakPolarHBondContact CB-OE1 3.43Å; L404-E459 HydrophobicContact CD2-CG 3.86Å; L404-E459 WeakPolarHBondContact CD2-OE1 3.23Å; L404-E459 HydrophobicContact CG-CG 4.44Å; S405-E459 WeakPolarHBondContact CB-OE2 3.43Å; S405-E459 VanDerWaalsContact N-CD 3.33Å; S405-E459 PolarHBondContact N-OE1 3.43Å; S405-E459 PolarHBondContact N-OE2 2.93Å; S405-E459 PolarHBondContact OG-OE2 2.83Å; E459-F461 PolarHBondContact O-N 3.13Å; E459-F461 VanDerWaalsContact O-N 3.17Å; E459-L462 PolarHBondContact O-N 3.33Å; E459-L462 VanDerWaalsContact O-N 3.1Å
460	D	74.8	Confident	73	Confident	98 Å²	98	50.7 Å²	50.7	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-18.6	179.8	-55.1	-37.7	0	0	0	112.1	S458 L462 T463 D464	S458-D460 PolarHBondContact O-N 2.81Å; D460-L462 VanDerWaalsContact C-N 3.29Å; D460-L462 PolarHBondContact O-N 3.2Å; D460-T463 WeakPolarHBondContact CA-OG1 3.5Å; D460-T463 PolarHBondContact O-N 3.45Å; D460-T463 PolarHBondContact O-OG1 3.01Å; D460-D464 PolarHBondContact O-N 3.47Å
461	F	78.4	Confident	72.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-55.6	-41.6	170.5	176.6	-104.1	0	0	0	112.4	L393 L433 V457 S458 E459 T463 D464 V465 L472 L475 V476 H479	L393-F461 HydrophobicContact CD2-CE1 4.1Å; L393-F461 HydrophobicContact CD2-CZ 4.25Å; L433-F461 HydrophobicContact CD2-CD1 4.4Å; V457-F461 HydrophobicContact CB-CB 4.31Å; V457-F461 HydrophobicContact CB-CG 4.46Å; V457-F461 HydrophobicContact CG2-CB 4.23Å; V457-F461 HydrophobicContact CG2-CD1 4.17Å; V457-F461 HydrophobicContact CG2-CG 4.14Å; S458-F461 VanDerWaalsContact O-CB 3.24Å; S458-F461 WeakPolarHBondContact O-CB 3.34Å; S458-F461 PolarHBondContact O-N 3.45Å; E459-F461 PolarHBondContact O-N 3.13Å; E459-F461 VanDerWaalsContact O-N 3.17Å; F461-T463 VanDerWaalsContact C-N 3.33Å; F461-T463 PolarHBondContact O-N 3.4Å; F461-D464 PolarHBondContact O-N 2.9Å; F461-V465 HydrophobicContact CD1-CG2 4.26Å; F461-V465 HydrophobicContact CD2-CG2 4.05Å; F461-V465 HydrophobicContact CE1-CG2 3.92Å; F461-V465 HydrophobicContact CE2-CG2 3.68Å; F461-V465 HydrophobicContact CG-CG2 4.33Å; F461-V465 HydrophobicContact CZ-CG2 3.62Å; F461-V465 WeakPolarHBondContact O-CB 3.45Å; F461-V465 WeakPolarHBondContact O-CG2 3.28Å; F461-V465 PolarHBondContact O-N 3.39Å; F461-L472 HydrophobicContact CZ-CD1 4.27Å; F461-L475 HydrophobicContact CD2-CB 4.18Å; F461-L475 HydrophobicContact CE2-CB 3.84Å; F461-V476 HydrophobicContact CE2-CB 4.46Å; F461-V476 HydrophobicContact CE2-CG2 3.59Å; F461-V476 HydrophobicContact CZ-CG2 3.85Å; F461-H479 HydrophobicContact CB-CB 3.98Å; F461-H479 HydrophobicContact CD2-CB 4.4Å
462	L	73.1	Confident	72.1	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-72.8	-26.9	-177.4	-69.2	176.9	0	0	0	112.9	L393 L411 V415 L418 L433 E459 D460	L393-L462 HydrophobicContact CD1-CD2 4.08Å; L411-L462 HydrophobicContact CD2-CD1 3.56Å; V415-L462 HydrophobicContact CG2-CD1 4Å; V415-L462 HydrophobicContact CG2-CD2 3.87Å; L418-L462 HydrophobicContact CD1-CD2 4.18Å; L433-L462 HydrophobicContact CD1-CD1 3.73Å; L433-L462 HydrophobicContact CD1-CD2 4.43Å; L433-L462 HydrophobicContact CD1-CG 4.16Å; L433-L462 HydrophobicContact CD2-CD1 4.47Å; L433-L462 HydrophobicContact CD2-CG 4.25Å; E459-L462 PolarHBondContact O-N 3.33Å; E459-L462 VanDerWaalsContact O-N 3.1Å; D460-L462 VanDerWaalsContact C-N 3.29Å; D460-L462 PolarHBondContact O-N 3.2Å
463	T	73.3	Confident	71.6	Confident	59 Å²	59	49 Å²	49	36%	0.362	30%	0.298	S	S	.	.	H	α-helix	trans	-77	-39	174	35.7	0	0	0	0	111.4	D460 F461 K466 S467	D460-T463 WeakPolarHBondContact CA-OG1 3.5Å; D460-T463 PolarHBondContact O-N 3.45Å; D460-T463 PolarHBondContact O-OG1 3.01Å; F461-T463 VanDerWaalsContact C-N 3.33Å; F461-T463 PolarHBondContact O-N 3.4Å; T463-K466 WeakPolarHBondContact O-CB 3.31Å; T463-K466 PolarHBondContact O-N 3.29Å; T463-K466 VanDerWaalsContact O-N 3.15Å; T463-S467 PolarHBondContact O-N 2.85Å; T463-S467 VanDerWaalsContact O-N 3.08Å; T463-S467 PolarHBondContact O-OG 2.75Å
464	D	70.1	Confident	71.4	Confident	56 Å²	56	51.3 Å²	51.3	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-77.6	-27.6	-178.6	-74.6	4.4	0	0	0	113	D460 F461 K466 S467 S468 L475 H479	D460-D464 PolarHBondContact O-N 3.47Å; F461-D464 PolarHBondContact O-N 2.9Å; D464-K466 PolarHBondContact O-N 2.91Å; D464-S467 WeakPolarHBondContact CA-OG 3.36Å; D464-S467 PolarHBondContact O-N 2.85Å; D464-S468 VanDerWaalsContact O-CB 3.3Å; D464-S468 WeakPolarHBondContact O-CB 3.34Å; D464-S468 PolarHBondContact O-N 2.84Å; D464-S468 PolarHBondContact O-OG 3.24Å; D464-L475 HydrophobicContact CB-CD2 4.13Å; D464-H479 IonicContact OD2-CD2 3.79Å; D464-H479 IonicContact OD2-CE1 3.77Å; D464-H479 PolarHBondContact OD2-CE1 3.23Å; D464-H479 VanDerWaalsContact OD2-CE1 3.28Å; D464-H479 IonicContact OD2-NE2 3.93Å; D464-H479 PolarHBondContact OD2-NE2 2.97Å
465	V	72.4	Confident	70.9	Confident	12 Å²	12	51 Å²	51	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-24.3	167.9	172.2	0	0	0	0	111.8	P392 L418 F461 L472 L475	P392-V465 HydrophobicContact CB-CG1 3.81Å; P392-V465 HydrophobicContact CG-CG1 3.54Å; L418-V465 HydrophobicContact CD1-CB 4.39Å; L418-V465 HydrophobicContact CD1-CG1 3.89Å; L418-V465 HydrophobicContact CD2-CG1 4.23Å; F461-V465 HydrophobicContact CD1-CG2 4.26Å; F461-V465 HydrophobicContact CD2-CG2 4.05Å; F461-V465 HydrophobicContact CE1-CG2 3.92Å; F461-V465 HydrophobicContact CE2-CG2 3.68Å; F461-V465 HydrophobicContact CG-CG2 4.33Å; F461-V465 HydrophobicContact CZ-CG2 3.62Å; F461-V465 WeakPolarHBondContact O-CB 3.45Å; F461-V465 WeakPolarHBondContact O-CG2 3.28Å; F461-V465 PolarHBondContact O-N 3.39Å; V465-L472 HydrophobicContact CG2-CD1 4.41Å; V465-L475 HydrophobicContact CB-CD1 4.45Å; V465-L475 HydrophobicContact CG2-CD1 3.74Å
466	K	65.4	Low	70.5	Confident	104 Å²	104	48.9 Å²	48.9	45%	0.452	29%	0.29	S	S	.	.	H	α-helix	trans	-84.4	-32.1	175	-78.9	-176.4	176.1	-158.2	0	113.2	E417 L418 T463 D464	E417-K466 IonicContact OE1-NZ 2.99Å; E417-K466 IonicContact OE2-NZ 3.26Å; E417-K466 PolarHBondContact OE2-NZ 3.41Å; L418-K466 HydrophobicContact CD1-CG 4.2Å; L418-K466 HydrophobicContact CD2-CG 3.84Å; L418-K466 HydrophobicContact CG-CG 4.39Å; T463-K466 WeakPolarHBondContact O-CB 3.31Å; T463-K466 PolarHBondContact O-N 3.29Å; T463-K466 VanDerWaalsContact O-N 3.15Å; D464-K466 PolarHBondContact O-N 2.91Å
467	S	60.9	Low	70.1	Confident	93 Å²	93	51.9 Å²	51.9	65%	0.65	31%	0.311	S	S	*	.	H	α-helix	trans	-102.3	-22.4	-171.1	63.8	0	0	0	0	114.4	T463 D464	T463-S467 PolarHBondContact O-N 2.85Å; T463-S467 VanDerWaalsContact O-N 3.08Å; T463-S467 PolarHBondContact O-OG 2.75Å; D464-S467 WeakPolarHBondContact CA-OG 3.36Å; D464-S467 PolarHBondContact O-N 2.85Å
468	S	58.7	Low	69.7	Low	36 Å²	36	57 Å²	57	25%	0.252	34%	0.338	S	S	.	.			trans	-109.5	136.8	-175.8	77.3	0	0	0	0	112.6	D464 K470 L475	D464-S468 VanDerWaalsContact O-CB 3.3Å; D464-S468 WeakPolarHBondContact O-CB 3.34Å; D464-S468 PolarHBondContact O-N 2.84Å; D464-S468 PolarHBondContact O-OG 3.24Å; S468-K470 PolarHBondContact O-N 2.93Å; S468-L475 WeakPolarHBondContact OG-CD2 3.35Å
469	G	55	Low	69.4	Low	92 Å²	92	57.5 Å²	57.5	95%	0.948	34%	0.338	S	S	*	.			trans	-81	21.9	171.8	0	0	0	0	0	113.9
470	K	66.6	Low	69.7	Low	107 Å²	107	57.7 Å²	57.7	47%	0.465	34%	0.344	S	S	.	.			trans	-82.7	153.5	-175.8	-71.5	-172.2	166.6	-149	0	111.8	S468 E474 L475	S468-K470 PolarHBondContact O-N 2.93Å; K470-E474 IonicContact NZ-OE1 3.28Å; K470-E474 PolarHBondContact NZ-OE1 3.05Å; K470-L475 HydrophobicContact CB-CD1 4.47Å; K470-L475 HydrophobicContact CB-CD2 4.32Å; K470-L475 HydrophobicContact CB-CG 4.2Å
471	A	69	Low	69.9	Low	66 Å²	66	54.2 Å²	54.2	55%	0.545	33%	0.325	S	S	.	.			trans	-62.4	139.4	177.5	0	0	0	0	0	111.1	Q473 E474 L475	A471-Q473 PolarHBondContact O-N 3.43Å; A471-Q473 VanDerWaalsContact O-N 3.1Å; A471-E474 WeakPolarHBondContact O-CB 3.42Å; A471-E474 PolarHBondContact O-N 3.2Å; A471-L475 PolarHBondContact O-N 3.49Å
472	L	67	Low	69.6	Low	46 Å²	46	54.5 Å²	54.5	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-54.1	-36.6	-174.3	-162.9	88.7	0	0	0	113.3	P392 L393 M396 F461 V465 E474 L475 V476	P392-L472 HydrophobicContact CB-CD1 4.22Å; P392-L472 WeakPolarHBondContact O-CD1 3.48Å; L393-L472 HydrophobicContact CD2-CD1 3.76Å; L393-L472 HydrophobicContact CD2-CD2 4.5Å; M396-L472 HydrophobicContact CE-CD2 3.98Å; M396-L472 HydrophobicContact SD-CD2 3.41Å; M396-L472 WeakPolarHBondContact SD-CD2 3.43Å; F461-L472 HydrophobicContact CZ-CD1 4.27Å; V465-L472 HydrophobicContact CG2-CD1 4.41Å; L472-E474 VanDerWaalsContact C-N 3.34Å; L472-E474 PolarHBondContact O-N 3.14Å; L472-L475 PolarHBondContact O-N 2.92Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-V476 PolarHBondContact O-N 3.33Å
473	Q	64.9	Low	69	Low	100 Å²	100	59.8 Å²	59.8	47%	0.467	36%	0.362	S	S	.	.	H	α-helix	trans	-68.3	-32.4	-179.3	-165.1	161.9	-4.1	0	0	112.4	A471 S477 E487	A471-Q473 PolarHBondContact O-N 3.43Å; A471-Q473 VanDerWaalsContact O-N 3.1Å; Q473-S477 PolarHBondContact O-N 2.58Å; Q473-S477 PolarHBondContact O-OG 2.97Å; Q473-E487 PolarHBondContact NE2-OE2 3.11Å
474	E	69.6	Low	68.5	Low	89 Å²	89	59.3 Å²	59.3	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-70.5	-39.6	174.8	-160.7	-173.5	151.1	0	0	110.9	K470 A471 L472 S477 L478	K470-E474 IonicContact NZ-OE1 3.28Å; K470-E474 PolarHBondContact NZ-OE1 3.05Å; A471-E474 WeakPolarHBondContact O-CB 3.42Å; A471-E474 PolarHBondContact O-N 3.2Å; L472-E474 VanDerWaalsContact C-N 3.34Å; L472-E474 PolarHBondContact O-N 3.14Å; E474-S477 PolarHBondContact O-N 2.87Å; E474-L478 HydrophobicContact CG-CD1 4.38Å; E474-L478 WeakPolarHBondContact O-CG 3.27Å; E474-L478 PolarHBondContact O-N 2.89Å
475	L	68.9	Low	67.6	Low	5 Å²	5	57.8 Å²	57.8	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-36.4	177	-67.7	173.5	0	0	0	112.9	F461 D464 V465 S468 K470 A471 L472 S477 L478 H479	F461-L475 HydrophobicContact CD2-CB 4.18Å; F461-L475 HydrophobicContact CE2-CB 3.84Å; D464-L475 HydrophobicContact CB-CD2 4.13Å; V465-L475 HydrophobicContact CB-CD1 4.45Å; V465-L475 HydrophobicContact CG2-CD1 3.74Å; S468-L475 WeakPolarHBondContact OG-CD2 3.35Å; K470-L475 HydrophobicContact CB-CD1 4.47Å; K470-L475 HydrophobicContact CB-CD2 4.32Å; K470-L475 HydrophobicContact CB-CG 4.2Å; A471-L475 PolarHBondContact O-N 3.49Å; L472-L475 PolarHBondContact O-N 2.92Å; L475-S477 VanDerWaalsContact C-N 3.35Å; L475-L478 PolarHBondContact O-N 3.04Å; L475-H479 PolarHBondContact O-CD2 3.15Å; L475-H479 PolarHBondContact O-N 2.71Å; L475-H479 VanDerWaalsContact O-N 3.17Å
476	V	72.4	Confident	66.6	Low	14 Å²	14	60.1 Å²	60.1	9%	0.085	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-40.2	174.4	169	0	0	0	0	110.9	L431 R455 V457 F461 L472 A480	L431-V476 HydrophobicContact CD1-CG2 4.16Å; L431-V476 HydrophobicContact CD2-CG1 3.92Å; L431-V476 HydrophobicContact CD2-CG2 3.97Å; R455-V476 HydrophobicContact CG-CG1 4.43Å; V457-V476 HydrophobicContact CG1-CG1 4.23Å; F461-V476 HydrophobicContact CE2-CB 4.46Å; F461-V476 HydrophobicContact CE2-CG2 3.59Å; F461-V476 HydrophobicContact CZ-CG2 3.85Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-V476 PolarHBondContact O-N 3.33Å; V476-A480 WeakPolarHBondContact O-CB 3.5Å; V476-A480 PolarHBondContact O-N 3.42Å; V476-A480 VanDerWaalsContact O-N 3.08Å
477	S	73.4	Confident	65.7	Low	63 Å²	63	60.5 Å²	60.5	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-70.7	-36.1	178.2	-67.2	0	0	0	0	113	Q473 E474 L475	Q473-S477 PolarHBondContact O-N 2.58Å; Q473-S477 PolarHBondContact O-OG 2.97Å; E474-S477 PolarHBondContact O-N 2.87Å; L475-S477 VanDerWaalsContact C-N 3.35Å
478	L	75.9	Confident	64.7	Low	108 Å²	108	59.2 Å²	59.2	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-68.1	-35.7	177.4	-77.1	164	0	0	0	113.1	E474 L475	E474-L478 HydrophobicContact CG-CD1 4.38Å; E474-L478 WeakPolarHBondContact O-CG 3.27Å; E474-L478 PolarHBondContact O-N 2.89Å; L475-L478 PolarHBondContact O-N 3.04Å
479	H	75.3	Confident	63.4	Low	28 Å²	28	64.3 Å²	64.3	13%	0.13	38%	0.38	C	S	.	.	S	Bend	trans	-103.3	7.1	-176.1	-71.4	-69.7	0	0	0	114.2	V457 S458 F461 D464 L475 I481	V457-H479 CarbonylContact C-O 3.54Å; V457-H479 WeakPolarHBondContact CA-O 3.46Å; V457-H479 HydrophobicContact CB-CB 4.42Å; S458-H479 PolarHBondContact N-O 3.43Å; S458-H479 PolarHBondContact OG-ND1 3.23Å; F461-H479 HydrophobicContact CB-CB 3.98Å; F461-H479 HydrophobicContact CD2-CB 4.4Å; D464-H479 IonicContact OD2-CD2 3.79Å; D464-H479 IonicContact OD2-CE1 3.77Å; D464-H479 PolarHBondContact OD2-CE1 3.23Å; D464-H479 VanDerWaalsContact OD2-CE1 3.28Å; D464-H479 IonicContact OD2-NE2 3.93Å; D464-H479 PolarHBondContact OD2-NE2 2.97Å; L475-H479 PolarHBondContact O-CD2 3.15Å; L475-H479 PolarHBondContact O-N 2.71Å; L475-H479 VanDerWaalsContact O-N 3.17Å; H479-I481 PolarHBondContact O-N 2.96Å
480	A	78	Confident	62.4	Low	31 Å²	31	65 Å²	65	26%	0.256	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-66.7	126.7	178.5	0	0	0	0	0	111.6	V476	V476-A480 WeakPolarHBondContact O-CB 3.5Å; V476-A480 PolarHBondContact O-N 3.42Å; V476-A480 VanDerWaalsContact O-N 3.08Å
481	I	79.4	Confident	60.5	Low	26 Å²	26	66.2 Å²	66.2	13%	0.133	38%	0.384	C	S	.	.			trans	-115.4	-10.5	179	59.1	170.4	0	0	0	113.4	S434 K436 V439 V456 H479	S434-I481 WeakPolarHBondContact O-CD1 3.44Å; K436-I481 HydrophobicContact CD-CG2 4.39Å; K436-I481 HydrophobicContact CG-CB 4.12Å; K436-I481 HydrophobicContact CG-CG2 3.73Å; V439-I481 HydrophobicContact CG2-CD1 3.67Å; V439-I481 HydrophobicContact CG2-CG1 4Å; V456-I481 HydrophobicContact CB-CG1 4.18Å; V456-I481 HydrophobicContact CG1-CD1 3.85Å; V456-I481 HydrophobicContact CG1-CG1 3.76Å; V456-I481 WeakPolarHBondContact O-CG1 3.35Å; V456-I481 PolarHBondContact O-N 2.79Å; H479-I481 PolarHBondContact O-N 2.96Å
482	S	72.8	Confident	58.5	Low	5 Å²	5	68.8 Å²	68.8	4%	0.035	40%	0.395	C	S	.	.			trans	-94.5	137.1	173	60.8	0	0	0	0	112.8	R455 V456 W484	R455-S482 WeakPolarHBondContact CD-OG 3.42Å; R455-S482 PolarHBondContact NH1-O 2.76Å; V456-S482 PolarHBondContact N-OG 2.63Å; V456-S482 PolarHBondContact O-N 2.99Å; S482-W484 PolarHBondContact O-N 3.15Å; S482-W484 PolarHBondContact OG-O 2.79Å
483	P	59.3	Low	56.6	Low	116 Å²	116	74.7 Å²	74.7	75%	0.753	42%	0.422	S	S	*	.	S	Bend	trans	-75	-0.7	170.8	27.9	-31.2	0	0	0	113.9
484	W	63.8	Low	54.7	Low	49 Å²	49	74.1 Å²	74.1	19%	0.186	43%	0.434	C	S	.	.			trans	-119.5	161.6	177	61.7	84.7	0	0	0	112.1	V439 M442 M446 R450 R455 S482	V439-W484 HydrophobicContact CG1-CH2 3.58Å; V439-W484 HydrophobicContact CG1-CZ2 4.23Å; V439-W484 HydrophobicContact CG1-CZ3 4.27Å; M442-W484 HydrophobicContact CE-CH2 4.04Å; M442-W484 HydrophobicContact CE-CZ3 4.31Å; M442-W484 HydrophobicContact SD-CH2 3.62Å; M442-W484 HydrophobicContact SD-CZ2 4.38Å; M442-W484 HydrophobicContact SD-CZ3 4.28Å; M446-W484 HydrophobicContact CE-CH2 4.36Å; M446-W484 HydrophobicContact CE-CZ2 3.64Å; R450-W484 HydrophobicContact CB-CD2 4.23Å; R450-W484 HydrophobicContact CB-CG 4.47Å; R450-W484 HydrophobicContact CB-CZ2 4.13Å; R450-W484 HydrophobicContact CG-CD2 3.87Å; R450-W484 HydrophobicContact CG-CE3 4.34Å; R450-W484 HydrophobicContact CG-CG 3.98Å; R455-W484 WeakPolarHBondContact CD-O 3.26Å; S482-W484 PolarHBondContact O-N 3.15Å; S482-W484 PolarHBondContact OG-O 2.79Å
485	G	51.3	Low	52.6	Low	24 Å²	24	75.7 Å²	75.7	25%	0.247	45%	0.452	C	S	.	.			trans	109.4	130.3	175.5	0	0	0	0	0	113.6	G453 R455	G453-G485 WeakPolarHBondContact O-CA 3.18Å; R455-G485 PolarHBondContact NE-O 3.34Å
486	A	51.5	Low	50.5	Low	60 Å²	60	80.2 Å²	80.2	50%	0.496	49%	0.49	S	S	.	.			trans	-74.4	152.9	-179.2	0	0	0	0	0	112.5	W1015	A486-W1015 HydrophobicContact CB-CZ3 4.49Å
487	E	47.1	Very low	48.2	Very low	112 Å²	112	84.7 Å²	84.7	52%	0.523	53%	0.528	S	S	.	.			trans	-59.9	142	171	-72.5	-171.1	174.9	0	0	110.8	Q473 K489	Q473-E487 PolarHBondContact NE2-OE2 3.11Å; E487-K489 VanDerWaalsContact C-N 3.26Å; E487-K489 PolarHBondContact O-N 3.05Å
488	V	40	Very low	45.9	Very low	67 Å²	67	88.4 Å²	88.4	41%	0.406	55%	0.549	S	S	.	.			trans	-68.2	85.7	179.9	-176.7	0	0	0	0	109.2	M396 L431	M396-V488 HydrophobicContact CE-CG1 4.25Å; M396-V488 HydrophobicContact CE-CG2 4.36Å; L431-V488 HydrophobicContact CD1-CG2 4.23Å
489	K	30.4	Very low	43.4	Very low	143 Å²	143	89.2 Å²	89.2	62%	0.622	56%	0.563	S	S	*	*			trans	-74.8	125.2	163.5	-75.6	-174	170.1	-172	0	109.1	E487 E491	E487-K489 VanDerWaalsContact C-N 3.26Å; E487-K489 PolarHBondContact O-N 3.05Å; K489-E491 HydrophobicContact CB-CG 4.33Å; K489-E491 HydrophobicContact CD-CG 4.36Å; K489-E491 WeakPolarHBondContact CD-OE1 3.25Å; K489-E491 IonicContact NZ-OE1 2.97Å; K489-E491 PolarHBondContact NZ-OE1 3.21Å; K489-E491 PolarHBondContact O-N 3.08Å
490	A	34.3	Very low	41	Very low	106 Å²	106	97.6 Å²	97.6	88%	0.876	60%	0.599	S	S	*	*			trans	-73.5	96.4	156.8	0	0	0	0	0	107.6
491	E	26	Very low	38.5	Very low	132 Å²	132	102.4 Å²	102.4	62%	0.617	63%	0.631	S	S	*	*			trans	-118.1	139.7	176.7	-99.6	-178.5	-165.1	0	0	112.7	K489	K489-E491 HydrophobicContact CB-CG 4.33Å; K489-E491 HydrophobicContact CD-CG 4.36Å; K489-E491 WeakPolarHBondContact CD-OE1 3.25Å; K489-E491 IonicContact NZ-OE1 2.97Å; K489-E491 PolarHBondContact NZ-OE1 3.21Å; K489-E491 PolarHBondContact O-N 3.08Å
492	P	26.7	Very low	35.7	Very low	120 Å²	120	105.2 Å²	105.2	78%	0.779	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-82.1	139.6	165.1	32.3	-28.9	0	0	0	111
493	Q	27.4	Very low	33.3	Very low	171 Å²	171	109.4 Å²	109.4	80%	0.799	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-101.9	142.3	-177.7	-92.3	-175.9	-15.2	0	0	114.5
494	A	24.8	Very low	31.5	Very low	87 Å²	87	112 Å²	112	72%	0.719	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-90.9	155.6	165.5	0	0	0	0	0	111.2
495	P	26.2	Very low	29.5	Very low	123 Å²	123	115.3 Å²	115.3	80%	0.799	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-88.7	136.2	-173.1	32.1	-32.2	0	0	0	114.5
496	A	25.2	Very low	28.1	Very low	100 Å²	100	117.8 Å²	117.8	83%	0.826	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-91.8	150.5	174.5	0	0	0	0	0	113.8
497	A	23.9	Very low	26.7	Very low	107 Å²	107	124.9 Å²	124.9	88%	0.884	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.3	149.9	179.1	0	0	0	0	0	113.3
498	T	25	Very low	25.6	Very low	142 Å²	142	124.4 Å²	124.4	87%	0.871	79%	0.786	S	S	*	*			trans	-112.5	134.6	179.2	39.2	0	0	0	0	113.1
499	S	23.1	Very low	24.7	Very low	124 Å²	124	128 Å²	128	87%	0.867	81%	0.808	S	S	*	*			trans	-83.9	159.9	172.5	49.4	0	0	0	0	112.7
500	K	26	Very low	24.3	Very low	205 Å²	205	125.2 Å²	125.2	89%	0.891	82%	0.819	S	S	*	*			trans	-93.5	143.6	-179.6	-70	177.7	175.9	175.9	0	112.2
501	S	23.5	Very low	23.7	Very low	132 Å²	132	132.1 Å²	132.1	92%	0.923	82%	0.822	S	S	*	*				172.5	153.3	123.1	53.3	0	0	0	0	112.2
502	G	22.1	Very low	23.7	Very low	84 Å²	84	132.9 Å²	132.9	87%	0.866	84%	0.836	S	S	*	*			trans	129.8	97.4	166.8	0	0	0	0	0	115.6
503	A	22.3	Very low	23.5	Very low	94 Å²	94	137 Å²	137	78%	0.777	84%	0.842	S	S	*	*			trans	-99.3	161.9	-176.9	0	0	0	0	0	113.6
504	L	22	Very low	23.3	Very low	171 Å²	171	137.8 Å²	137.8	90%	0.895	85%	0.845	S	S	*	*				170	135.2	120.7	-89.4	166.8	0	0	0	114.7
505	S	20.8	Very low	23.2	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	86%	0.855	S	S	*	*			trans	72.7	136.2	143.3	-156.1	0	0	0	0	120
506	A	21.6	Very low	23.2	Very low	76 Å²	76	146.8 Å²	146.8	63%	0.628	86%	0.862	S	S	*	*			cis	-168.8	155.1	0.3	0	0	0	0	0	112.7
507	K	21.5	Very low	23.1	Very low	208 Å²	208	145.7 Å²	145.7	90%	0.904	86%	0.86	S	S	*	*			trans	60.6	137.5	150.7	-69.5	173	178.4	178.9	0	119.2
508	S	24.3	Very low	23.1	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	86%	0.856	S	S	*	*			cis	-158.1	135.2	35.3	51.5	0	0	0	0	115.9
509	T	21.1	Very low	23.1	Very low	143 Å²	143	143.4 Å²	143.4	88%	0.877	86%	0.856	S	S	*	*			trans	51.5	119.5	136.7	57.6	0	0	0	0	123.9
510	G	23.3	Very low	23.3	Very low	83 Å²	83	146.6 Å²	146.6	86%	0.856	85%	0.854	S	S	*	*			trans	176.4	93.7	150.8	0	0	0	0	0	112.9
511	R	21.8	Very low	23.5	Very low	251 Å²	251	141.8 Å²	141.8	95%	0.947	85%	0.853	S	S	*	*			trans	-70.9	132	-173.7	-111.5	175.8	171.8	176	-2.9	113.8
512	V	24.8	Very low	23.6	Very low	149 Å²	149	144.9 Å²	144.9	90%	0.903	85%	0.849	S	S	*	*			trans	-146.8	141.2	139.7	-175.8	0	0	0	0	108.5
513	K	23.7	Very low	23.8	Very low	206 Å²	206	150.9 Å²	150.9	90%	0.896	85%	0.852	S	S	*	*			trans	-52.9	142.8	-163.4	-76.8	173.8	168.5	179.4	0	117.4
514	E	21.6	Very low	24.6	Very low	188 Å²	188	154.3 Å²	154.3	88%	0.879	85%	0.854	S	S	*	*			trans	-69	136.7	165.3	-68.1	166.3	139.9	0	0	112
515	E	23.7	Very low	25	Very low	198 Å²	198	151.8 Å²	151.8	93%	0.925	84%	0.835	S	S	*	*			trans	-119.5	130.5	138.4	-89.6	-163.9	161.6	0	0	107.5
516	E	26.6	Very low	25.9	Very low	201 Å²	201	147.9 Å²	147.9	94%	0.939	81%	0.805	S	S	*	*			trans	-63.4	137.4	-177.3	-69.8	176.4	123.4	0	0	112.3
517	G	23.2	Very low	26.7	Very low	76 Å²	76	145 Å²	145	78%	0.784	78%	0.78	S	S	*	*			trans	-168.1	60.8	176.1	0	0	0	0	0	113	S519	G517-S519 PolarHBondContact O-N 2.69Å
518	G	23.6	Very low	27.9	Very low	78 Å²	78	137 Å²	137	80%	0.804	75%	0.748	S	S	*	*			trans	-65.8	111.9	169.8	0	0	0	0	0	110.9	K520	G518-K520 PolarHBondContact O-N 3.11Å
519	S	24.5	Very low	29	Very low	123 Å²	123	136.3 Å²	136.3	86%	0.86	73%	0.732	S	S	*	*			trans	-71.4	92.6	173.6	66.9	0	0	0	0	110.3	G517	G517-S519 PolarHBondContact O-N 2.69Å
520	K	26.5	Very low	30	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	71%	0.711	S	S	*	*			trans	-62.8	135.2	156.6	-76.5	-179.8	177	175.7	0	108.3	G518 K522	G518-K520 PolarHBondContact O-N 3.11Å; K520-K522 PolarHBondContact O-N 3.12Å
521	A	30.6	Very low	31.4	Very low	104 Å²	104	128 Å²	128	86%	0.86	68%	0.675	S	S	*	*			trans	-52.9	111.9	165.8	0	0	0	0	0	108.6	K523	A521-K523 PolarHBondContact O-N 2.96Å
522	K	25.9	Very low	33.1	Very low	197 Å²	197	116.1 Å²	116.1	86%	0.857	63%	0.63	S	S	*	*			trans	-67.5	119	178.5	-97.7	-178.3	174	-179.8	0	108.4	K520 M524	K520-K522 PolarHBondContact O-N 3.12Å; K522-M524 PolarHBondContact O-N 2.89Å; K522-M524 VanDerWaalsContact O-N 3.11Å
523	K	27.1	Very low	35	Very low	210 Å²	210	109.1 Å²	109.1	91%	0.913	59%	0.588	S	S	*	*			trans	-52.8	114.5	160.9	-92.7	180	170.9	179.1	0	108	A521	A521-K523 PolarHBondContact O-N 2.96Å
524	M	37.8	Very low	37.4	Very low	166 Å²	166	99.4 Å²	99.4	82%	0.818	55%	0.546	S	S	*	.			trans	-70.4	125.7	177.2	-69.2	165.3	164.8	0	0	109.4	K522	K522-M524 PolarHBondContact O-N 2.89Å; K522-M524 VanDerWaalsContact O-N 3.11Å
525	K	31.3	Very low	39.9	Very low	117 Å²	117	91 Å²	91	51%	0.509	51%	0.507	S	S	.	.			trans	-116.4	106.2	178.2	-169.1	-178.6	-177.9	-172.1	0	107.5	E651	K525-E651 WeakPolarHBondContact CE-OE1 3.47Å; K525-E651 IonicContact NZ-OE1 3.65Å; K525-E651 PolarHBondContact NZ-OE1 2.99Å
526	L	38.8	Very low	42.3	Very low	37 Å²	37	83.7 Å²	83.7	19%	0.194	48%	0.477	C	S	.	.			trans	-76.6	121.6	165.6	-90	87.5	0	0	0	107.7	A533 P536	L526-A533 HydrophobicContact CD2-CB 3.97Å; L526-P536 HydrophobicContact CD1-CG 3.9Å; L526-P536 HydrophobicContact CG-CG 3.87Å
527	T	38.8	Very low	44.9	Very low	15 Å²	15	78 Å²	78	9%	0.092	45%	0.453	C	S	.	.			trans	-105.7	127.9	172	12.7	0	0	0	0	108.2	E541 N542	T527-E541 WeakPolarHBondContact CB-O 3.38Å; T527-E541 PolarHBondContact OG1-O 3.42Å; T527-N542 WeakPolarHBondContact CB-OD1 3.45Å; T527-N542 VanDerWaalsContact CG2-OD1 3.28Å; T527-N542 WeakPolarHBondContact CG2-OD1 3.49Å; T527-N542 PolarHBondContact OG1-OD1 3.48Å
528	V	47.6	Very low	47.6	Very low	40 Å²	40	75 Å²	75	24%	0.242	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.4	179.7	-173.5	0	0	0	0	108.5	A533 Q648	V528-A533 HydrophobicContact CG2-CB 3.7Å; V528-Q648 WeakPolarHBondContact CB-O 3.46Å; V528-Q648 HydrophobicContact CG1-CB 4.42Å
529	K	47.1	Very low	50.4	Low	89 Å²	89	73.9 Å²	73.9	39%	0.387	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137	169.5	-63	-178.3	-170.8	171.5	0	107	N542 H545 D579	K529-N542 PolarHBondContact NZ-O 2.95Å; K529-H545 HydrophobicContact CB-CB 4.05Å; K529-H545 WeakPolarHBondContact O-CB 3.37Å; K529-D579 WeakPolarHBondContact CD-OD2 3.32Å; K529-D579 IonicContact NZ-OD2 2.69Å; K529-D579 PolarHBondContact NZ-OD2 2.82Å
530	G	42.5	Very low	53	Low	42 Å²	42	69.5 Å²	69.5	43%	0.433	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	31.9	176.1	0	0	0	0	0	116.1	A532	G530-A532 PolarHBondContact O-N 2.98Å
531	G	51.3	Low	55.3	Low	10 Å²	10	62.3 Å²	62.3	10%	0.103	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-17.9	164.5	0	0	0	0	0	117.6	M553 Y646 Q648	G531-M553 WeakPolarHBondContact O-CE 3.3Å; G531-Y646 VanDerWaalsContact O-O 3.12Å; G531-Q648 WeakPolarHBondContact O-CG 3.47Å
532	A	58.3	Low	57.4	Low	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.1	171.6	0	0	0	0	0	112	G530 V534 V546 M553 Y646	G530-A532 PolarHBondContact O-N 2.98Å; A532-V534 PolarHBondContact O-N 3.42Å; A532-V546 HydrophobicContact CB-CB 4.05Å; A532-V546 HydrophobicContact CB-CG1 4.31Å; A532-V546 HydrophobicContact CB-CG2 3.96Å; A532-M553 HydrophobicContact CB-SD 3.91Å; A532-Y646 HydrophobicContact CB-CG 4.29Å
533	A	65.1	Low	60	Low	3 Å²	3	54.1 Å²	54.1	3%	0.025	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.8	179.4	0	0	0	0	0	111.9	L526 V528 Q574	L526-A533 HydrophobicContact CD2-CB 3.97Å; V528-A533 HydrophobicContact CG2-CB 3.7Å; A533-Q574 PolarHBondContact O-NE2 2.95Å
534	V	73.6	Confident	62.5	Low	1 Å²	1	44.1 Å²	44.1	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.3	136	169.6	177.9	0	0	0	0	109.1	A532 P536 S538 E541 A544 V546 L576	A532-V534 PolarHBondContact O-N 3.42Å; V534-P536 WeakPolarHBondContact O-CD 3.49Å; V534-S538 WeakPolarHBondContact CG1-OG 3.48Å; V534-E541 HydrophobicContact CB-CB 4.47Å; V534-E541 HydrophobicContact CG1-CB 4.48Å; V534-A544 VanDerWaalsContact CG2-O 3.31Å; V534-A544 WeakPolarHBondContact CG2-O 3.21Å; V534-V546 HydrophobicContact CG2-CG2 4.11Å; V534-L576 HydrophobicContact CB-CD2 4.29Å; V534-L576 HydrophobicContact CG1-CD1 3.79Å; V534-L576 HydrophobicContact CG1-CD2 3.83Å; V534-L576 HydrophobicContact CG1-CG 4.47Å; V534-L576 HydrophobicContact CG2-CD2 3.78Å
535	D	74.8	Confident	64.7	Low	11 Å²	11	38.3 Å²	38.3	6%	0.059	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64	123.9	175.7	-158.3	-48.7	0	0	0	110.9	D537 S538 K572 Q574 F587	D535-D537 PolarHBondContact O-N 2.84Å; D535-D537 VanDerWaalsContact O-N 3.15Å; D535-D537 VanDerWaalsContact OD1-CB 3.28Å; D535-D537 WeakPolarHBondContact OD1-CB 3.46Å; D535-D537 PolarHBondContact OD1-N 3.04Å; D535-S538 VanDerWaalsContact O-CB 3.23Å; D535-S538 WeakPolarHBondContact O-CB 3.25Å; D535-S538 PolarHBondContact O-N 3.26Å; D535-S538 PolarHBondContact O-OG 3.08Å; D535-K572 VanDerWaalsContact CG-NZ 3.35Å; D535-K572 VanDerWaalsContact OD2-CD 3.25Å; D535-K572 WeakPolarHBondContact OD2-CD 3.48Å; D535-K572 VanDerWaalsContact OD2-CE 3.32Å; D535-K572 WeakPolarHBondContact OD2-CE 3.44Å; D535-K572 IonicContact OD2-NZ 3.81Å; D535-K572 PolarHBondContact OD2-NZ 3.17Å; D535-Q574 VanDerWaalsContact CB-OE1 3.28Å; D535-F587 HydrophobicContact CB-CD1 3.88Å; D535-F587 HydrophobicContact CB-CE1 3.47Å; D535-F587 VanDerWaalsContact CB-CE1 3.47Å; D535-F587 HydrophobicContact CB-CZ 4.28Å
536	P	73.9	Confident	67.1	Low	45 Å²	45	32.9 Å²	32.9	29%	0.292	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.7	-25.2	176.5	-23.9	34.2	0	0	0	113.6	L526 V534 S538 G539	L526-P536 HydrophobicContact CD1-CG 3.9Å; L526-P536 HydrophobicContact CG-CG 3.87Å; V534-P536 WeakPolarHBondContact O-CD 3.49Å; P536-S538 PolarHBondContact O-N 3.24Å; P536-S538 VanDerWaalsContact O-N 3.12Å; P536-G539 PolarHBondContact O-N 2.88Å
537	D	79.8	Confident	69.3	Low	81 Å²	81	31.2 Å²	31.2	43%	0.433	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-64.3	-14.7	175.8	-75	-12.4	0	0	0	112.5	D535 F587 N600	D535-D537 PolarHBondContact O-N 2.84Å; D535-D537 VanDerWaalsContact O-N 3.15Å; D535-D537 VanDerWaalsContact OD1-CB 3.28Å; D535-D537 WeakPolarHBondContact OD1-CB 3.46Å; D535-D537 PolarHBondContact OD1-N 3.04Å; D537-F587 HydrophobicContact CB-CE1 4.43Å; D537-F587 HydrophobicContact CB-CE2 4.42Å; D537-F587 HydrophobicContact CB-CZ 3.64Å; D537-N600 PolarHBondContact O-ND2 3.35Å
538	S	81	Confident	71.3	Confident	13 Å²	13	34.9 Å²	34.9	9%	0.091	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-75.2	-24.5	172.3	71.8	0	0	0	0	113.3	V534 D535 P536 L540	V534-S538 WeakPolarHBondContact CG1-OG 3.48Å; D535-S538 VanDerWaalsContact O-CB 3.23Å; D535-S538 WeakPolarHBondContact O-CB 3.25Å; D535-S538 PolarHBondContact O-N 3.26Å; D535-S538 PolarHBondContact O-OG 3.08Å; P536-S538 PolarHBondContact O-N 3.24Å; P536-S538 VanDerWaalsContact O-N 3.12Å; S538-L540 PolarHBondContact O-N 3.44Å; S538-L540 PolarHBondContact OG-N 2.73Å
539	G	81.9	Confident	72.8	Confident	56 Å²	56	36.4 Å²	36.4	58%	0.577	22%	0.215	S	C	*	.	S	Bend	trans	66.8	12.4	-171.4	0	0	0	0	0	114.7	P536 E541	P536-G539 PolarHBondContact O-N 2.88Å; G539-E541 VanDerWaalsContact CA-OE2 3.28Å; G539-E541 WeakPolarHBondContact CA-OE2 3.23Å
540	L	80.3	Confident	73.9	Confident	30 Å²	30	39.6 Å²	39.6	16%	0.157	24%	0.237	C	C	.	.			trans	-115.2	14.4	-179.1	-63.2	-179.3	0	0	0	112.7	S538 N542 S543 A544 L576 W585 L602	S538-L540 PolarHBondContact O-N 3.44Å; S538-L540 PolarHBondContact OG-N 2.73Å; L540-N542 PolarHBondContact O-N 3.43Å; L540-N542 VanDerWaalsContact O-N 3.08Å; L540-S543 PolarHBondContact O-N 3.07Å; L540-S543 VanDerWaalsContact O-N 3.11Å; L540-S543 PolarHBondContact O-OG 3.18Å; L540-A544 HydrophobicContact CB-CB 4.19Å; L540-A544 PolarHBondContact O-N 3.02Å; L540-L576 HydrophobicContact CD1-CD1 4.44Å; L540-W585 HydrophobicContact CD1-CB 4.42Å; L540-W585 HydrophobicContact CD1-CD2 3.56Å; L540-W585 HydrophobicContact CD1-CE3 3.71Å; L540-W585 HydrophobicContact CD1-CG 3.85Å; L540-W585 HydrophobicContact CD1-CH2 4.48Å; L540-W585 HydrophobicContact CD1-CZ2 4.42Å; L540-W585 HydrophobicContact CD1-CZ3 4.12Å; L540-L602 HydrophobicContact CD1-CD1 4.17Å; L540-L602 HydrophobicContact CD1-CD2 3.77Å; L540-L602 HydrophobicContact CG-CD2 4.25Å
541	E	73.6	Confident	75	Confident	41 Å²	41	40.6 Å²	40.6	19%	0.192	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.3	-172.8	66.8	-82.7	-170.6	0	0	114	T527 V534 G539	T527-E541 WeakPolarHBondContact CB-O 3.38Å; T527-E541 PolarHBondContact OG1-O 3.42Å; V534-E541 HydrophobicContact CB-CB 4.47Å; V534-E541 HydrophobicContact CG1-CB 4.48Å; G539-E541 VanDerWaalsContact CA-OE2 3.28Å; G539-E541 WeakPolarHBondContact CA-OE2 3.23Å
542	N	75	Confident	76	Confident	86 Å²	86	45.1 Å²	45.1	46%	0.46	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-15	-179.7	-63.1	-59.1	0	0	0	114.3	T527 K529 L540	T527-N542 WeakPolarHBondContact CB-OD1 3.45Å; T527-N542 VanDerWaalsContact CG2-OD1 3.28Å; T527-N542 WeakPolarHBondContact CG2-OD1 3.49Å; T527-N542 PolarHBondContact OG1-OD1 3.48Å; K529-N542 PolarHBondContact NZ-O 2.95Å; L540-N542 PolarHBondContact O-N 3.43Å; L540-N542 VanDerWaalsContact O-N 3.08Å
543	S	80	Confident	77	Confident	44 Å²	44	47.9 Å²	47.9	31%	0.308	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-17.8	-170.3	57.5	0	0	0	0	114.4	L540 D579	L540-S543 PolarHBondContact O-N 3.07Å; L540-S543 VanDerWaalsContact O-N 3.11Å; L540-S543 PolarHBondContact O-OG 3.18Å; S543-D579 PolarHBondContact O-N 2.88Å
544	A	81.2	Confident	78.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.7	-178	0	0	0	0	0	111.2	V534 L540 L576 E577 W585	V534-A544 VanDerWaalsContact CG2-O 3.31Å; V534-A544 WeakPolarHBondContact CG2-O 3.21Å; L540-A544 HydrophobicContact CB-CB 4.19Å; L540-A544 PolarHBondContact O-N 3.02Å; A544-L576 HydrophobicContact CB-CB 4.17Å; A544-E577 CarbonylContact C-O 3.51Å; A544-E577 VanDerWaalsContact CA-O 3.23Å; A544-E577 WeakPolarHBondContact CA-O 3.31Å; A544-E577 WeakPolarHBondContact CB-O 3.36Å; A544-W585 HydrophobicContact CB-CE3 4.35Å; A544-W585 HydrophobicContact CB-CZ3 4.1Å
545	H	82.6	Confident	78.7	Confident	44 Å²	44	49.6 Å²	49.6	20%	0.204	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.8	170.1	60.9	-80.1	0	0	0	110.7	K529 L576 E577 D579	K529-H545 HydrophobicContact CB-CB 4.05Å; K529-H545 WeakPolarHBondContact O-CB 3.37Å; H545-L576 CarbonylContact O-C 3.53Å; H545-L576 VanDerWaalsContact O-CA 3.28Å; H545-L576 WeakPolarHBondContact O-CA 2.95Å; H545-E577 PolarHBondContact N-O 3.1Å; H545-E577 PolarHBondContact ND1-O 3.35Å; H545-E577 IonicContact NE2-OE2 2.82Å; H545-E577 PolarHBondContact O-N 2.71Å; H545-D579 IonicContact CE1-OD1 2.89Å; H545-D579 IonicContact CG-OD1 2.6Å; H545-D579 PolarHBondContact N-OD1 3.44Å; H545-D579 IonicContact ND1-OD1 3.77Å; H545-D579 PolarHBondContact ND1-OD1 2.86Å
546	V	83	Confident	79.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.6	172.6	178.4	0	0	0	0	108.8	A532 V534 E548 L575 L576	A532-V546 HydrophobicContact CB-CB 4.05Å; A532-V546 HydrophobicContact CB-CG1 4.31Å; A532-V546 HydrophobicContact CB-CG2 3.96Å; V534-V546 HydrophobicContact CG2-CG2 4.11Å; V546-E548 PolarHBondContact O-N 3.07Å; V546-L575 WeakPolarHBondContact CA-O 3.34Å; V546-L576 HydrophobicContact CG2-CD2 3.96Å
547	L	84.4	Confident	79.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	27%	0.274	C	S	.	.			trans	-65.8	128.4	178.9	-178.7	72.6	0	0	0	110.7	Y554 L575 E577 L612	L547-Y554 HydrophobicContact CB-CD2 4.48Å; L547-Y554 HydrophobicContact CD2-CD2 4.07Å; L547-Y554 HydrophobicContact CD2-CE2 4.33Å; L547-Y554 HydrophobicContact CG-CD2 4.2Å; L547-Y554 WeakPolarHBondContact O-CD2 3.36Å; L547-Y554 PolarHBondContact O-N 2.91Å; L547-L575 HydrophobicContact CB-CD2 4.29Å; L547-L575 HydrophobicContact CB-CG 4.03Å; L547-L575 HydrophobicContact CD2-CD2 3.47Å; L547-L575 VanDerWaalsContact CD2-CD2 3.47Å; L547-L575 HydrophobicContact CD2-CG 4.05Å; L547-L575 HydrophobicContact CG-CD2 4.49Å; L547-L575 PolarHBondContact N-O 2.83Å; L547-E577 HydrophobicContact CD1-CB 4.42Å; L547-E577 WeakPolarHBondContact CD1-OE2 3.42Å; L547-L612 HydrophobicContact CD2-CD2 4.07Å; L547-L612 HydrophobicContact CD2-CG 4.41Å
548	E	80.9	Confident	80.2	Confident	93 Å²	93	44 Å²	44	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.4	170.7	-171.2	179.5	176.4	0	0	110.2	V546 M553	V546-E548 PolarHBondContact O-N 3.07Å; E548-M553 HydrophobicContact CB-CG 4.39Å; E548-M553 HydrophobicContact CG-CG 4Å
549	Q	78.1	Confident	80.6	Confident	72 Å²	72	43.7 Å²	43.7	34%	0.336	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.9	174.6	-162.1	176.8	-7.7	0	0	110.2	G551 K552 Y554	Q549-G551 PolarHBondContact O-N 3.36Å; Q549-K552 PolarHBondContact N-O 3.02Å; Q549-K552 PolarHBondContact O-N 2.67Å; Q549-Y554 HydrophobicContact CB-CE2 3.81Å
550	N	69.8	Low	81	Confident	156 Å²	156	42 Å²	42	83%	0.834	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	37.6	178.8	-56.4	-17.9	0	0	0	113.5	K552	N550-K552 PolarHBondContact O-N 2.49Å
551	G	67	Low	81.4	Confident	62 Å²	62	40.8 Å²	40.8	64%	0.639	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	9.5	-177.6	0	0	0	0	0	114.8	Q549	Q549-G551 PolarHBondContact O-N 3.36Å
552	K	72.6	Confident	82	Confident	106 Å²	106	39.3 Å²	39.3	46%	0.461	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.5	172.8	-65.6	-173.8	-179.2	-177.5	0	109.5	Q549 N550 G628	Q549-K552 PolarHBondContact N-O 3.02Å; Q549-K552 PolarHBondContact O-N 2.67Å; N550-K552 PolarHBondContact O-N 2.49Å; K552-G628 PolarHBondContact NZ-O 2.91Å
553	M	79.4	Confident	82.6	Confident	58 Å²	58	35.9 Å²	35.9	29%	0.286	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.9	173.5	-66.3	-178	177.3	0	0	110.3	G531 A532 E548 S555 W627	G531-M553 WeakPolarHBondContact O-CE 3.3Å; A532-M553 HydrophobicContact CB-SD 3.91Å; E548-M553 HydrophobicContact CB-CG 4.39Å; E548-M553 HydrophobicContact CG-CG 4Å; M553-S555 PolarHBondContact O-N 3.22Å; M553-W627 WeakPolarHBondContact O-CZ2 3.37Å
554	Y	86.8	Confident	82.7	Confident	28 Å²	28	36 Å²	36	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-83.2	66.5	178.8	-70.5	-91.1	0	0	0	111.6	L547 Q549 L575 L612 F615 W627	L547-Y554 HydrophobicContact CB-CD2 4.48Å; L547-Y554 HydrophobicContact CD2-CD2 4.07Å; L547-Y554 HydrophobicContact CD2-CE2 4.33Å; L547-Y554 HydrophobicContact CG-CD2 4.2Å; L547-Y554 WeakPolarHBondContact O-CD2 3.36Å; L547-Y554 PolarHBondContact O-N 2.91Å; Q549-Y554 HydrophobicContact CB-CE2 3.81Å; Y554-L575 HydrophobicContact CD1-CD2 4.39Å; Y554-L575 HydrophobicContact CG-CD2 4.15Å; Y554-L575 PolarHBondContact O-N 3.23Å; Y554-L612 HydrophobicContact CD1-CD2 3.85Å; Y554-L612 HydrophobicContact CD2-CD2 4.31Å; Y554-L612 HydrophobicContact CE1-CD2 3.38Å; Y554-L612 HydrophobicContact CE2-CD2 3.88Å; Y554-L612 HydrophobicContact CG-CD2 4.28Å; Y554-F615 AromaticContact CD1-CD1 3.82Å; Y554-F615 HydrophobicContact CD1-CD1 3.82Å; Y554-F615 AromaticContact CD1-CE1 3.75Å; Y554-F615 HydrophobicContact CD1-CE1 3.75Å; Y554-F615 HydrophobicContact CD1-CG 4.46Å; Y554-F615 HydrophobicContact CD1-CZ 4.3Å; Y554-F615 WeakPolarHBondContact O-CE2 3.19Å; Y554-W627 HydrophobicContact CD1-CZ2 4.47Å; Y554-W627 AromaticContact CD1-NE1 3.71Å; Y554-W627 AromaticContact CE1-CD1 3.79Å; Y554-W627 AromaticContact CE1-NE1 3.52Å
555	S	85.8	Confident	82.5	Confident	12 Å²	12	39.6 Å²	39.6	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.1	175.1	178.5	0	0	0	0	109.5	M553 L573 Q574 Y646	M553-S555 PolarHBondContact O-N 3.22Å; S555-L573 CarbonylContact C-O 3.48Å; S555-L573 WeakPolarHBondContact CA-O 3.36Å; S555-Q574 PolarHBondContact OG-NE2 3.25Å; S555-Y646 WeakPolarHBondContact OG-CE2 3.23Å; S555-Y646 PolarHBondContact OG-OH 2.94Å
556	A	86.1	Confident	82.4	Confident	8 Å²	8	37.8 Å²	37.8	7%	0.066	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.7	174.6	0	0	0	0	0	111.2	L558 K572 L573 Y619 W627	A556-L558 HydrophobicContact CB-CD2 4.01Å; A556-K572 WeakPolarHBondContact O-CA 3.36Å; A556-L573 PolarHBondContact N-O 2.92Å; A556-L573 PolarHBondContact O-N 2.95Å; A556-Y619 HydrophobicContact CB-CD2 4.41Å; A556-Y619 HydrophobicContact CB-CE2 4.13Å; A556-W627 HydrophobicContact CB-CH2 4.03Å; A556-W627 HydrophobicContact CB-CZ3 3.78Å
557	T	86.4	Confident	82.5	Confident	11 Å²	11	38.1 Å²	38.1	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.5	163.8	-62.4	0	0	0	0	107.9	L642 I644 Y646	T557-L642 HydrophobicContact CG2-CD1 4.33Å; T557-L642 PolarHBondContact O-N 3.42Å; T557-I644 VanDerWaalsContact CB-CD1 3.45Å; T557-I644 HydrophobicContact CG2-CD1 3.73Å; T557-I644 WeakPolarHBondContact OG1-CD1 3.29Å; T557-Y646 PolarHBondContact N-OH 3.42Å; T557-Y646 PolarHBondContact OG1-OH 3.26Å
558	L	88.9	Confident	82.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.7	-179.5	-37.3	171.8	0	0	0	110.2	A556 Y570 Y571 Y619 K622 T623 F639 Y640 P641	A556-L558 HydrophobicContact CB-CD2 4.01Å; L558-Y570 CarbonylContact O-C 3.59Å; L558-Y570 VanDerWaalsContact O-CA 3.31Å; L558-Y570 WeakPolarHBondContact O-CA 3.48Å; L558-Y571 WeakPolarHBondContact CB-O 3.26Å; L558-Y571 HydrophobicContact CD1-CD1 4.06Å; L558-Y571 WeakPolarHBondContact CG-O 3.4Å; L558-Y571 PolarHBondContact N-O 3.42Å; L558-Y571 PolarHBondContact O-N 3.44Å; L558-Y619 HydrophobicContact CD2-CE2 3.96Å; L558-K622 HydrophobicContact CD1-CB 3.96Å; L558-T623 HydrophobicContact CD1-CG2 3.74Å; L558-T623 HydrophobicContact CD2-CG2 3.88Å; L558-T623 HydrophobicContact CG-CG2 4.46Å; L558-F639 HydrophobicContact CB-CB 3.58Å; L558-F639 HydrophobicContact CB-CD1 4Å; L558-F639 HydrophobicContact CB-CG 4.1Å; L558-F639 HydrophobicContact CD1-CB 3.95Å; L558-F639 HydrophobicContact CD1-CG 4.46Å; L558-F639 HydrophobicContact CG-CB 4.38Å; L558-Y640 CarbonylContact C-O 3.56Å; L558-Y640 VanDerWaalsContact CA-O 3.23Å; L558-Y640 WeakPolarHBondContact CA-O 3.4Å; L558-P641 HydrophobicContact CD2-CB 3.71Å
559	G	89	Confident	82.9	Confident	6 Å²	6	34.6 Å²	34.6	6%	0.062	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.8	175.4	0	0	0	0	0	112.3	Y640	G559-Y640 PolarHBondContact N-O 3.43Å; G559-Y640 PolarHBondContact O-N 3.11Å
560	L	89.4	Confident	83.4	Confident	22 Å²	22	32 Å²	32	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	116.4	170.4	174	62.8	0	0	0	109.6	S569 F639	L560-S569 PolarHBondContact N-O 3.11Å; L560-S569 PolarHBondContact O-N 3.37Å; L560-F639 HydrophobicContact CB-CD1 3.59Å; L560-F639 HydrophobicContact CB-CE1 3.69Å; L560-F639 HydrophobicContact CB-CG 4.09Å; L560-F639 HydrophobicContact CB-CZ 4.28Å; L560-F639 HydrophobicContact CD2-CE2 4.37Å; L560-F639 HydrophobicContact CD2-CZ 4.36Å
561	V	89.2	Confident	84.4	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.8	173.4	-174.8	0	0	0	0	110.4	T567 N568 Y738 T739 P750	V561-T567 WeakPolarHBondContact CA-O 3.25Å; V561-N568 WeakPolarHBondContact CG2-OD1 3.46Å; V561-Y738 WeakPolarHBondContact CG2-O 3.19Å; V561-T739 PolarHBondContact N-OG1 3.25Å; V561-P750 HydrophobicContact CG1-CG 3.93Å
562	D	87.2	Confident	85.4	Confident	9 Å²	9	23.8 Å²	23.8	5%	0.048	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	105.2	168.8	177.8	-29.9	0	0	0	107.4	V564 R565 G566 T567	D562-V564 VanDerWaalsContact C-N 3.31Å; D562-V564 PolarHBondContact O-N 2.96Å; D562-V564 WeakPolarHBondContact OD1-CB 3.45Å; D562-V564 PolarHBondContact OD1-N 3.01Å; D562-R565 HydrophobicContact CB-CB 4.18Å; D562-R565 HydrophobicContact CB-CG 4.45Å; D562-R565 PolarHBondContact O-N 2.7Å; D562-R565 PolarHBondContact OD1-N 3.27Å; D562-R565 WeakPolarHBondContact OD2-CD 3.41Å; D562-R565 WeakPolarHBondContact OD2-CG 3.46Å; D562-G566 CarbonylContact O-C 3.6Å; D562-G566 WeakPolarHBondContact O-CA 3.5Å; D562-G566 PolarHBondContact O-N 3.01Å; D562-T567 WeakPolarHBondContact CB-OG1 3.46Å; D562-T567 PolarHBondContact N-O 3.45Å; D562-T567 PolarHBondContact O-N 3.05Å
563	I	87	Confident	86.2	Confident	14 Å²	14	18.8 Å²	18.8	7%	0.072	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.6	-176.4	-70.3	162	0	0	0	111.8	G566 L731 N735 Y738 P750 L752	I563-G566 PolarHBondContact O-N 2.91Å; I563-G566 VanDerWaalsContact O-N 3.1Å; I563-L731 HydrophobicContact CB-CD1 3.71Å; I563-L731 HydrophobicContact CD1-CD1 4.17Å; I563-L731 HydrophobicContact CG2-CD1 3.93Å; I563-N735 WeakPolarHBondContact CD1-OD1 3.33Å; I563-N735 WeakPolarHBondContact CG1-OD1 3.19Å; I563-N735 PolarHBondContact N-OD1 3.4Å; I563-Y738 HydrophobicContact CD1-CD2 4.07Å; I563-Y738 HydrophobicContact CD1-CE2 4.24Å; I563-Y738 HydrophobicContact CG1-CD2 4.47Å; I563-P750 HydrophobicContact CG1-CB 4.06Å; I563-P750 HydrophobicContact CG1-CG 4.49Å; I563-L752 HydrophobicContact CD1-CD2 3.99Å; I563-L752 HydrophobicContact CG2-CD2 3.91Å; I563-L752 HydrophobicContact CG2-CG 4.09Å
564	V	82.6	Confident	86.7	Confident	46 Å²	46	16 Å²	16	28%	0.279	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-49	-178.7	-179.4	0	0	0	0	109.6	V320 D562 G566 L731 K749	V320-V564 HydrophobicContact CG1-CG2 3.95Å; D562-V564 VanDerWaalsContact C-N 3.31Å; D562-V564 PolarHBondContact O-N 2.96Å; D562-V564 WeakPolarHBondContact OD1-CB 3.45Å; D562-V564 PolarHBondContact OD1-N 3.01Å; V564-G566 PolarHBondContact O-N 3.02Å; V564-L731 HydrophobicContact CG2-CD1 3.94Å; V564-L731 HydrophobicContact CG2-CD2 3.59Å; V564-L731 HydrophobicContact CG2-CG 4.39Å; V564-K749 PolarHBondContact O-NZ 2.94Å
565	R	76.6	Confident	86.8	Confident	77 Å²	77	14.7 Å²	14.7	29%	0.291	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.5	175.4	-65.9	177.3	64.3	-153.5	-10.2	112.4	D562 T567	D562-R565 HydrophobicContact CB-CB 4.18Å; D562-R565 HydrophobicContact CB-CG 4.45Å; D562-R565 PolarHBondContact O-N 2.7Å; D562-R565 PolarHBondContact OD1-N 3.27Å; D562-R565 WeakPolarHBondContact OD2-CD 3.41Å; D562-R565 WeakPolarHBondContact OD2-CG 3.46Å; R565-T567 HydrophobicContact CB-CG2 4.02Å; R565-T567 PolarHBondContact O-N 3.06Å
566	G	80.8	Confident	87	Confident	6 Å²	6	14.1 Å²	14.1	6%	0.062	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	11.2	-171.7	0	0	0	0	0	113.5	D562 I563 V564 R592	D562-G566 CarbonylContact O-C 3.6Å; D562-G566 WeakPolarHBondContact O-CA 3.5Å; D562-G566 PolarHBondContact O-N 3.01Å; I563-G566 PolarHBondContact O-N 2.91Å; I563-G566 VanDerWaalsContact O-N 3.1Å; V564-G566 PolarHBondContact O-N 3.02Å; G566-R592 PolarHBondContact O-NH1 3.16Å; G566-R592 PolarHBondContact O-NH2 2.79Å
567	T	83.9	Confident	87.1	Confident	8 Å²	8	15.3 Å²	15.3	5%	0.049	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.6	-179.7	52.2	0	0	0	0	109.8	D46 V561 D562 R565	D46-T567 WeakPolarHBondContact OD2-CA 3.5Å; V561-T567 WeakPolarHBondContact CA-O 3.25Å; D562-T567 WeakPolarHBondContact CB-OG1 3.46Å; D562-T567 PolarHBondContact N-O 3.45Å; D562-T567 PolarHBondContact O-N 3.05Å; R565-T567 HydrophobicContact CB-CG2 4.02Å; R565-T567 PolarHBondContact O-N 3.06Å
568	N	87.7	Confident	87.2	Confident	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	83	176.9	177.7	13.8	0	0	0	107.6	D46 V561 R592 V593 H743 P750	D46-N568 PolarHBondContact OD2-N 3.42Å; V561-N568 WeakPolarHBondContact CG2-OD1 3.46Å; N568-R592 WeakPolarHBondContact O-CA 3.3Å; N568-R592 WeakPolarHBondContact O-CG 3.08Å; N568-V593 PolarHBondContact O-N 2.89Å; N568-V593 WeakPolarHBondContact OD1-CG2 3.18Å; N568-H743 PolarHBondContact ND2-O 2.77Å; N568-P750 HydrophobicContact CB-CG 4.36Å
569	S	87.7	Confident	86.8	Confident	17 Å²	17	18.6 Å²	18.6	12%	0.119	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.1	-166.9	-56.1	0	0	0	0	112	D46 L560 G591	D46-S569 WeakPolarHBondContact CB-OG 3.37Å; D46-S569 PolarHBondContact OD2-OG 3Å; L560-S569 PolarHBondContact N-O 3.11Å; L560-S569 PolarHBondContact O-N 3.37Å; S569-G591 CarbonylContact C-O 3.57Å; S569-G591 VanDerWaalsContact CA-O 3.24Å; S569-G591 WeakPolarHBondContact CA-O 3.23Å
570	Y	88.6	Confident	86.3	Confident	19 Å²	19	24.8 Å²	24.8	8%	0.075	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	156.1	167.9	72.6	-88.4	0	0	0	111.2	L558 W590 G591 V593 K696	L558-Y570 CarbonylContact O-C 3.59Å; L558-Y570 VanDerWaalsContact O-CA 3.31Å; L558-Y570 WeakPolarHBondContact O-CA 3.48Å; Y570-W590 WeakPolarHBondContact O-CA 3.46Å; Y570-G591 WeakPolarHBondContact CD1-O 3.14Å; Y570-G591 PolarHBondContact N-O 3.33Å; Y570-G591 PolarHBondContact O-N 3.45Å; Y570-V593 HydrophobicContact CD1-CG2 4.05Å; Y570-K696 HydrophobicContact CD1-CD 4.34Å; Y570-K696 HydrophobicContact CD1-CG 4.2Å; Y570-K696 HydrophobicContact CD2-CD 4.06Å; Y570-K696 HydrophobicContact CE1-CD 4.06Å; Y570-K696 HydrophobicContact CE1-CG 4.2Å; Y570-K696 HydrophobicContact CE2-CD 3.78Å; Y570-K696 HydrophobicContact CG-CD 4.35Å; Y570-K696 HydrophobicContact CG-CG 4.43Å; Y570-K696 WeakPolarHBondContact OH-CE 2.98Å; Y570-K696 PolarHBondContact OH-NZ 3.26Å
571	Y	89.3	Confident	85.4	Confident	15 Å²	15	27.9 Å²	27.9	6%	0.059	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	111.7	171.6	-165	-84.3	0	0	0	109.7	L558 L573 R588 S589 W590 V618 K622	L558-Y571 WeakPolarHBondContact CB-O 3.26Å; L558-Y571 HydrophobicContact CD1-CD1 4.06Å; L558-Y571 WeakPolarHBondContact CG-O 3.4Å; L558-Y571 PolarHBondContact N-O 3.42Å; L558-Y571 PolarHBondContact O-N 3.44Å; Y571-L573 HydrophobicContact CE1-CB 4.27Å; Y571-R588 WeakPolarHBondContact OH-CD 3.28Å; Y571-S589 CarbonylContact C-O 3.2Å; Y571-S589 WeakPolarHBondContact CA-O 3.39Å; Y571-W590 HydrophobicContact CD2-CB 3.54Å; Y571-W590 HydrophobicContact CD2-CG 4.47Å; Y571-W590 HydrophobicContact CE2-CB 3.91Å; Y571-W590 HydrophobicContact CE2-CE3 4.24Å; Y571-W590 HydrophobicContact CE2-CG 4.43Å; Y571-W590 HydrophobicContact CG-CB 4.46Å; Y571-V618 HydrophobicContact CE1-CG1 4.15Å; Y571-K622 HydrophobicContact CD1-CG 4.24Å; Y571-K622 HydrophobicContact CE1-CG 4Å
572	K	88.3	Confident	84.9	Confident	30 Å²	30	36.1 Å²	36.1	13%	0.13	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.6	175.7	-173.8	173.9	171	-173.5	0	110	D535 A556 Q574 R588 S589	D535-K572 VanDerWaalsContact CG-NZ 3.35Å; D535-K572 VanDerWaalsContact OD2-CD 3.25Å; D535-K572 WeakPolarHBondContact OD2-CD 3.48Å; D535-K572 VanDerWaalsContact OD2-CE 3.32Å; D535-K572 WeakPolarHBondContact OD2-CE 3.44Å; D535-K572 IonicContact OD2-NZ 3.81Å; D535-K572 PolarHBondContact OD2-NZ 3.17Å; A556-K572 WeakPolarHBondContact O-CA 3.36Å; K572-Q574 VanDerWaalsContact CE-CD 3.41Å; K572-Q574 HydrophobicContact CG-CG 4.38Å; K572-R588 WeakPolarHBondContact O-CA 3.42Å; K572-S589 PolarHBondContact N-O 3.48Å; K572-S589 PolarHBondContact O-N 3.29Å
573	L	90.1	Very high	84.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.5	-178.8	-177	66.9	0	0	0	108.6	S555 A556 Y571 V586 F587 R588 F615 V618	S555-L573 CarbonylContact C-O 3.48Å; S555-L573 WeakPolarHBondContact CA-O 3.36Å; A556-L573 PolarHBondContact N-O 2.92Å; A556-L573 PolarHBondContact O-N 2.95Å; Y571-L573 HydrophobicContact CE1-CB 4.27Å; L573-V586 HydrophobicContact CD1-CG1 3.8Å; L573-F587 WeakPolarHBondContact CA-O 3.16Å; L573-R588 HydrophobicContact CD1-CG 3.65Å; L573-F615 HydrophobicContact CB-CE2 4.33Å; L573-F615 HydrophobicContact CD1-CD2 4.24Å; L573-F615 HydrophobicContact CD2-CD1 4.46Å; L573-F615 HydrophobicContact CD2-CD2 3.79Å; L573-F615 HydrophobicContact CD2-CE1 4.35Å; L573-F615 HydrophobicContact CD2-CE2 3.7Å; L573-F615 HydrophobicContact CD2-CG 4.18Å; L573-F615 HydrophobicContact CD2-CZ 3.99Å; L573-F615 HydrophobicContact CG-CD2 3.64Å; L573-F615 HydrophobicContact CG-CE2 3.5Å; L573-F615 VanDerWaalsContact CG-CE2 3.5Å; L573-F615 HydrophobicContact CG-CG 4.48Å; L573-F615 HydrophobicContact CG-CZ 4.21Å; L573-V618 HydrophobicContact CD1-CB 4.43Å; L573-V618 HydrophobicContact CD1-CG1 3.93Å; L573-V618 HydrophobicContact CD2-CB 4.39Å; L573-V618 HydrophobicContact CD2-CG1 4.15Å
574	Q	88.8	Confident	85	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.1	178	-63.4	-170.7	-60.4	0	0	110.6	A533 D535 S555 K572 L576 V586 F587	A533-Q574 PolarHBondContact O-NE2 2.95Å; D535-Q574 VanDerWaalsContact CB-OE1 3.28Å; S555-Q574 PolarHBondContact OG-NE2 3.25Å; K572-Q574 VanDerWaalsContact CE-CD 3.41Å; K572-Q574 HydrophobicContact CG-CG 4.38Å; Q574-L576 HydrophobicContact CB-CD2 4.12Å; Q574-V586 CarbonylContact O-C 3.48Å; Q574-V586 WeakPolarHBondContact O-CA 3.37Å; Q574-F587 HydrophobicContact CB-CB 4.38Å; Q574-F587 PolarHBondContact N-O 3.15Å; Q574-F587 PolarHBondContact O-N 3.39Å
575	L	90.4	Very high	85.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119	168.4	177.7	58.1	0	0	0	108.4	V546 L547 Y554 W585 V586 A611 L612 F615	V546-L575 WeakPolarHBondContact CA-O 3.34Å; L547-L575 HydrophobicContact CB-CD2 4.29Å; L547-L575 HydrophobicContact CB-CG 4.03Å; L547-L575 HydrophobicContact CD2-CD2 3.47Å; L547-L575 VanDerWaalsContact CD2-CD2 3.47Å; L547-L575 HydrophobicContact CD2-CG 4.05Å; L547-L575 HydrophobicContact CG-CD2 4.49Å; L547-L575 PolarHBondContact N-O 2.83Å; Y554-L575 HydrophobicContact CD1-CD2 4.39Å; Y554-L575 HydrophobicContact CG-CD2 4.15Å; Y554-L575 PolarHBondContact O-N 3.23Å; L575-W585 CarbonylContact C-O 3.43Å; L575-W585 WeakPolarHBondContact CA-O 3.34Å; L575-V586 HydrophobicContact CD1-CG2 3.84Å; L575-A611 HydrophobicContact CD1-CB 3.59Å; L575-L612 HydrophobicContact CD2-CD2 3.5Å; L575-L612 HydrophobicContact CD2-CG 3.94Å; L575-F615 HydrophobicContact CB-CD2 3.84Å; L575-F615 HydrophobicContact CB-CE2 4.33Å; L575-F615 HydrophobicContact CB-CG 4.43Å; L575-F615 HydrophobicContact CD2-CB 4.5Å
576	L	89.6	Confident	86.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.9	-175.2	-50.4	177.2	0	0	0	109.9	V534 L540 A544 H545 V546 Q574 Y584 W585 F587 L602	V534-L576 HydrophobicContact CB-CD2 4.29Å; V534-L576 HydrophobicContact CG1-CD1 3.79Å; V534-L576 HydrophobicContact CG1-CD2 3.83Å; V534-L576 HydrophobicContact CG1-CG 4.47Å; V534-L576 HydrophobicContact CG2-CD2 3.78Å; L540-L576 HydrophobicContact CD1-CD1 4.44Å; A544-L576 HydrophobicContact CB-CB 4.17Å; H545-L576 CarbonylContact O-C 3.53Å; H545-L576 VanDerWaalsContact O-CA 3.28Å; H545-L576 WeakPolarHBondContact O-CA 2.95Å; V546-L576 HydrophobicContact CG2-CD2 3.96Å; Q574-L576 HydrophobicContact CB-CD2 4.12Å; L576-Y584 CarbonylContact O-C 3.58Å; L576-Y584 WeakPolarHBondContact O-CA 3.36Å; L576-W585 HydrophobicContact CB-CB 4.27Å; L576-W585 HydrophobicContact CB-CE3 4.44Å; L576-W585 PolarHBondContact N-O 3.32Å; L576-W585 PolarHBondContact O-N 3.29Å; L576-F587 HydrophobicContact CD1-CB 4.13Å; L576-L602 HydrophobicContact CD1-CD1 4.46Å
577	E	87.9	Confident	86.6	Confident	34 Å²	34	36.5 Å²	36.5	16%	0.159	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.4	171.5	178.9	164.7	-148.6	0	0	108.6	A544 H545 L547 Y584	A544-E577 CarbonylContact C-O 3.51Å; A544-E577 VanDerWaalsContact CA-O 3.23Å; A544-E577 WeakPolarHBondContact CA-O 3.31Å; A544-E577 WeakPolarHBondContact CB-O 3.36Å; H545-E577 PolarHBondContact N-O 3.1Å; H545-E577 PolarHBondContact ND1-O 3.35Å; H545-E577 IonicContact NE2-OE2 2.82Å; H545-E577 PolarHBondContact O-N 2.71Å; L547-E577 HydrophobicContact CD1-CB 4.42Å; L547-E577 WeakPolarHBondContact CD1-OE2 3.42Å; E577-Y584 HydrophobicContact CB-CD1 4.05Å; E577-Y584 HydrophobicContact CB-CE1 3.98Å; E577-Y584 HydrophobicContact CG-CD1 4.07Å; E577-Y584 HydrophobicContact CG-CE1 3.57Å; E577-Y584 WeakPolarHBondContact OE1-CE1 3.45Å; E577-Y584 VanDerWaalsContact OE1-CZ 3.26Å; E577-Y584 PolarHBondContact OE1-OH 3.26Å
578	D	87.4	Confident	87	Confident	23 Å²	23	38.1 Å²	38.1	12%	0.123	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	141.7	176.2	-166.5	81.3	0	0	0	110.7	V580 Q581 R583 W585	D578-V580 VanDerWaalsContact C-N 3.29Å; D578-V580 PolarHBondContact O-N 2.98Å; D578-V580 PolarHBondContact OD2-N 3.04Å; D578-Q581 VanDerWaalsContact CB-O 3.27Å; D578-Q581 WeakPolarHBondContact CB-O 3.17Å; D578-Q581 WeakPolarHBondContact OD2-CA 3.39Å; D578-Q581 WeakPolarHBondContact OD2-CB 3.19Å; D578-Q581 PolarHBondContact OD2-N 3.26Å; D578-R583 HydrophobicContact CB-CB 4.16Å; D578-R583 PolarHBondContact N-O 3.2Å; D578-W585 HydrophobicContact CB-CH2 3.55Å; D578-W585 HydrophobicContact CB-CZ3 3.37Å; D578-W585 VanDerWaalsContact OD1-CH2 3.3Å; D578-W585 WeakPolarHBondContact OD1-CH2 3.44Å
579	D	80.7	Confident	87.1	Confident	57 Å²	57	38 Å²	38	31%	0.305	18%	0.178	S	C	.	.	S	Bend	trans	-71.6	-25.2	-176.3	-66.4	-19.6	0	0	0	112.9	K529 S543 H545	K529-D579 WeakPolarHBondContact CD-OD2 3.32Å; K529-D579 IonicContact NZ-OD2 2.69Å; K529-D579 PolarHBondContact NZ-OD2 2.82Å; S543-D579 PolarHBondContact O-N 2.88Å; H545-D579 IonicContact CE1-OD1 2.89Å; H545-D579 IonicContact CG-OD1 2.6Å; H545-D579 PolarHBondContact N-OD1 3.44Å; H545-D579 IonicContact ND1-OD1 3.77Å; H545-D579 PolarHBondContact ND1-OD1 2.86Å
580	V	78.9	Confident	87.2	Confident	135 Å²	135	40.8 Å²	40.8	82%	0.818	19%	0.186	S	C	*	.	S	Bend	trans	-116.5	-41.5	-168.7	-175.7	0	0	0	0	111.4	D578	D578-V580 VanDerWaalsContact C-N 3.29Å; D578-V580 PolarHBondContact O-N 2.98Å; D578-V580 PolarHBondContact OD2-N 3.04Å
581	Q	71.8	Confident	87.1	Confident	88 Å²	88	40 Å²	40	41%	0.411	19%	0.185	S	C	.	.	S	Bend	trans	-103.6	149.7	-178.1	-55.8	-178	-2.2	0	0	108.7	D578 R583	D578-Q581 VanDerWaalsContact CB-O 3.27Å; D578-Q581 WeakPolarHBondContact CB-O 3.17Å; D578-Q581 WeakPolarHBondContact OD2-CA 3.39Å; D578-Q581 WeakPolarHBondContact OD2-CB 3.19Å; D578-Q581 PolarHBondContact OD2-N 3.26Å; Q581-R583 HydrophobicContact CB-CG 4.09Å; Q581-R583 PolarHBondContact O-N 3.44Å
582	K	78.3	Confident	86.9	Confident	177 Å²	177	39.8 Å²	39.8	77%	0.77	18%	0.184	S	C	*	.	S	Bend	trans	-79.9	59.1	174.3	-67.8	-174.3	177.8	-178.3	0	111.1
583	R	85.9	Confident	86.6	Confident	126 Å²	126	38.6 Å²	38.6	48%	0.475	18%	0.179	S	C	.	.			trans	-109.9	143.8	179.6	-67.3	-179.1	-177.4	172.6	6.1	109.6	D578 Q581 W585	D578-R583 HydrophobicContact CB-CB 4.16Å; D578-R583 PolarHBondContact N-O 3.2Å; Q581-R583 HydrophobicContact CB-CG 4.09Å; Q581-R583 PolarHBondContact O-N 3.44Å; R583-W585 HydrophobicContact CB-CH2 3.7Å; R583-W585 HydrophobicContact CB-CZ2 3.84Å; R583-W585 HydrophobicContact CB-CZ3 4.25Å
584	Y	89.7	Confident	85.9	Confident	18 Å²	18	39.6 Å²	39.6	7%	0.071	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.8	-175.4	-58.7	-83.9	0	0	0	110.2	L576 E577 F605 K608 A611	L576-Y584 CarbonylContact O-C 3.58Å; L576-Y584 WeakPolarHBondContact O-CA 3.36Å; E577-Y584 HydrophobicContact CB-CD1 4.05Å; E577-Y584 HydrophobicContact CB-CE1 3.98Å; E577-Y584 HydrophobicContact CG-CD1 4.07Å; E577-Y584 HydrophobicContact CG-CE1 3.57Å; E577-Y584 WeakPolarHBondContact OE1-CE1 3.45Å; E577-Y584 VanDerWaalsContact OE1-CZ 3.26Å; E577-Y584 PolarHBondContact OE1-OH 3.26Å; Y584-F605 PolarHBondContact N-O 3.48Å; Y584-F605 VanDerWaalsContact N-O 3.11Å; Y584-F605 PolarHBondContact O-N 3.27Å; Y584-F605 VanDerWaalsContact O-O 3.11Å; Y584-K608 HydrophobicContact CD1-CB 4.33Å; Y584-K608 HydrophobicContact CD1-CG 4.23Å; Y584-K608 HydrophobicContact CD2-CB 4.18Å; Y584-K608 HydrophobicContact CE1-CB 3.84Å; Y584-K608 HydrophobicContact CE1-CD 3.98Å; Y584-K608 HydrophobicContact CE1-CG 3.71Å; Y584-K608 HydrophobicContact CE2-CB 3.69Å; Y584-K608 HydrophobicContact CE2-CG 4.48Å; Y584-K608 HydrophobicContact CG-CB 4.49Å; Y584-A611 HydrophobicContact CG-CB 4.41Å
585	W	91.3	Very high	85.5	Confident	15 Å²	15	40.7 Å²	40.7	6%	0.057	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.9	175.1	-61.3	-85.6	0	0	0	112.1	L540 A544 L575 L576 D578 R583 L602 D603	L540-W585 HydrophobicContact CD1-CB 4.42Å; L540-W585 HydrophobicContact CD1-CD2 3.56Å; L540-W585 HydrophobicContact CD1-CE3 3.71Å; L540-W585 HydrophobicContact CD1-CG 3.85Å; L540-W585 HydrophobicContact CD1-CH2 4.48Å; L540-W585 HydrophobicContact CD1-CZ2 4.42Å; L540-W585 HydrophobicContact CD1-CZ3 4.12Å; A544-W585 HydrophobicContact CB-CE3 4.35Å; A544-W585 HydrophobicContact CB-CZ3 4.1Å; L575-W585 CarbonylContact C-O 3.43Å; L575-W585 WeakPolarHBondContact CA-O 3.34Å; L576-W585 HydrophobicContact CB-CB 4.27Å; L576-W585 HydrophobicContact CB-CE3 4.44Å; L576-W585 PolarHBondContact N-O 3.32Å; L576-W585 PolarHBondContact O-N 3.29Å; D578-W585 HydrophobicContact CB-CH2 3.55Å; D578-W585 HydrophobicContact CB-CZ3 3.37Å; D578-W585 VanDerWaalsContact OD1-CH2 3.3Å; D578-W585 WeakPolarHBondContact OD1-CH2 3.44Å; R583-W585 HydrophobicContact CB-CH2 3.7Å; R583-W585 HydrophobicContact CB-CZ2 3.84Å; R583-W585 HydrophobicContact CB-CZ3 4.25Å; W585-L602 HydrophobicContact CB-CD1 3.69Å; W585-L602 HydrophobicContact CB-CG 4.35Å; W585-L602 HydrophobicContact CG-CD1 4.15Å; W585-L602 HydrophobicContact CG-CG 4.41Å; W585-D603 CarbonylContact C-O 3.56Å; W585-D603 WeakPolarHBondContact CA-O 3.32Å
586	V	92	Very high	84.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.5	166.4	-179.4	0	0	0	0	107.7	L573 Q574 L575 R588 D603 F605 A611 N614 F615	L573-V586 HydrophobicContact CD1-CG1 3.8Å; Q574-V586 CarbonylContact O-C 3.48Å; Q574-V586 WeakPolarHBondContact O-CA 3.37Å; L575-V586 HydrophobicContact CD1-CG2 3.84Å; V586-R588 HydrophobicContact CG1-CG 4.24Å; V586-D603 PolarHBondContact N-O 3.09Å; V586-D603 PolarHBondContact O-N 2.88Å; V586-F605 HydrophobicContact CB-CE2 3.9Å; V586-F605 HydrophobicContact CG2-CD2 4.05Å; V586-F605 HydrophobicContact CG2-CE2 3.6Å; V586-F605 HydrophobicContact CG2-CZ 4.45Å; V586-A611 HydrophobicContact CG2-CB 4.39Å; V586-A611 WeakPolarHBondContact CG2-O 2.98Å; V586-N614 HydrophobicContact CG2-CB 4.29Å; V586-F615 HydrophobicContact CG2-CB 4.49Å
587	F	91.2	Very high	84.4	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	176.1	-179	-107.4	0	0	0	110.7	D535 D537 L573 Q574 L576 N600 L602	D535-F587 HydrophobicContact CB-CD1 3.88Å; D535-F587 HydrophobicContact CB-CE1 3.47Å; D535-F587 VanDerWaalsContact CB-CE1 3.47Å; D535-F587 HydrophobicContact CB-CZ 4.28Å; D537-F587 HydrophobicContact CB-CE1 4.43Å; D537-F587 HydrophobicContact CB-CE2 4.42Å; D537-F587 HydrophobicContact CB-CZ 3.64Å; L573-F587 WeakPolarHBondContact CA-O 3.16Å; Q574-F587 HydrophobicContact CB-CB 4.38Å; Q574-F587 PolarHBondContact N-O 3.15Å; Q574-F587 PolarHBondContact O-N 3.39Å; L576-F587 HydrophobicContact CD1-CB 4.13Å; F587-N600 HydrophobicContact CE2-CB 3.81Å; F587-N600 HydrophobicContact CZ-CB 3.8Å; F587-L602 HydrophobicContact CB-CD1 3.91Å; F587-L602 HydrophobicContact CD2-CB 4.31Å; F587-L602 HydrophobicContact CD2-CD1 3.93Å; F587-L602 HydrophobicContact CG-CD1 4.39Å
588	R	92.6	Very high	84.2	Confident	41 Å²	41	47.5 Å²	47.5	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129	-179	-59.3	-176.4	-74.3	176.5	-7.6	108.5	Y571 K572 L573 V586 W590 N600 K601 D603	Y571-R588 WeakPolarHBondContact OH-CD 3.28Å; K572-R588 WeakPolarHBondContact O-CA 3.42Å; L573-R588 HydrophobicContact CD1-CG 3.65Å; V586-R588 HydrophobicContact CG1-CG 4.24Å; R588-W590 HydrophobicContact CB-CE3 4.28Å; R588-W590 HydrophobicContact CB-CZ3 4.07Å; R588-N600 CarbonylContact O-C 3.5Å; R588-N600 WeakPolarHBondContact O-CA 3.42Å; R588-K601 PolarHBondContact N-O 3.34Å; R588-K601 PolarHBondContact O-N 3.33Å; R588-D603 IonicContact CZ-OD2 3.6Å; R588-D603 VanDerWaalsContact CZ-OD2 3.27Å; R588-D603 IonicContact NE-OD2 3.8Å; R588-D603 PolarHBondContact NE-OD2 3.15Å; R588-D603 IonicContact NH2-OD1 2.66Å; R588-D603 IonicContact NH2-OD2 3.63Å; R588-D603 PolarHBondContact NH2-OD2 3.11Å
589	S	88.9	Confident	84.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.4	174.6	179	0	0	0	0	109	Y571 K572	Y571-S589 CarbonylContact C-O 3.2Å; Y571-S589 WeakPolarHBondContact CA-O 3.39Å; K572-S589 PolarHBondContact N-O 3.48Å; K572-S589 PolarHBondContact O-N 3.29Å
590	W	90	Very high	84.5	Confident	75 Å²	75	48.5 Å²	48.5	28%	0.284	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.8	-177.5	64.3	85	0	0	0	110.6	M44 Y570 Y571 R588 G598 G599 K601	M44-W590 PolarHBondContact O-NE1 3.2Å; Y570-W590 WeakPolarHBondContact O-CA 3.46Å; Y571-W590 HydrophobicContact CD2-CB 3.54Å; Y571-W590 HydrophobicContact CD2-CG 4.47Å; Y571-W590 HydrophobicContact CE2-CB 3.91Å; Y571-W590 HydrophobicContact CE2-CE3 4.24Å; Y571-W590 HydrophobicContact CE2-CG 4.43Å; Y571-W590 HydrophobicContact CG-CB 4.46Å; R588-W590 HydrophobicContact CB-CE3 4.28Å; R588-W590 HydrophobicContact CB-CZ3 4.07Å; W590-G598 CarbonylContact O-C 3.59Å; W590-G598 WeakPolarHBondContact O-CA 3.28Å; W590-G599 PolarHBondContact N-O 2.96Å; W590-G599 PolarHBondContact O-N 2.73Å; W590-K601 HydrophobicContact CH2-CB 3.83Å; W590-K601 HydrophobicContact CZ3-CB 3.78Å
591	G	86	Confident	85.1	Confident	4 Å²	4	46.6 Å²	46.6	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-174.5	179.6	0	0	0	0	0	112.9	S569 Y570 I597	S569-G591 CarbonylContact C-O 3.57Å; S569-G591 VanDerWaalsContact CA-O 3.24Å; S569-G591 WeakPolarHBondContact CA-O 3.23Å; Y570-G591 WeakPolarHBondContact CD1-O 3.14Å; Y570-G591 PolarHBondContact N-O 3.33Å; Y570-G591 PolarHBondContact O-N 3.45Å; G591-I597 CarbonylContact C-O 3.53Å; G591-I597 WeakPolarHBondContact CA-O 3.42Å
592	R	84.6	Confident	86	Confident	10 Å²	10	45 Å²	45	4%	0.038	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.4	169.6	-177.5	-179	-172.2	84.4	3.6	108.9	D46 G566 N568 G594 T595 I597 G746 K748	D46-R592 HydrophobicContact CB-CB 3.99Å; D46-R592 VanDerWaalsContact CG-NH1 3.27Å; D46-R592 WeakPolarHBondContact OD1-CD 3.28Å; D46-R592 IonicContact OD1-CZ 3.85Å; D46-R592 IonicContact OD1-NE 3.33Å; D46-R592 IonicContact OD1-NH1 2.73Å; D46-R592 PolarHBondContact OD1-NH1 3.31Å; D46-R592 IonicContact OD2-NH1 2.94Å; D46-R592 PolarHBondContact OD2-NH1 3.26Å; G566-R592 PolarHBondContact O-NH1 3.16Å; G566-R592 PolarHBondContact O-NH2 2.79Å; N568-R592 WeakPolarHBondContact O-CA 3.3Å; N568-R592 WeakPolarHBondContact O-CG 3.08Å; R592-G594 PolarHBondContact O-N 2.76Å; R592-T595 WeakPolarHBondContact CB-OG1 3.4Å; R592-T595 HydrophobicContact CG-CG2 4.39Å; R592-T595 PolarHBondContact O-N 3.46Å; R592-T595 PolarHBondContact O-OG1 2.83Å; R592-T595 VanDerWaalsContact O-OG1 3.09Å; R592-I597 HydrophobicContact CB-CB 4.31Å; R592-I597 HydrophobicContact CB-CG2 4.5Å; R592-I597 PolarHBondContact N-O 3.17Å; R592-G746 PolarHBondContact NE-O 2.79Å; R592-K748 PolarHBondContact NH2-O 2.87Å
593	V	83.1	Confident	86.6	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135	-179.3	-179.3	0	0	0	0	109.5	N568 Y570 T595 D693 P742 H743	N568-V593 PolarHBondContact O-N 2.89Å; N568-V593 WeakPolarHBondContact OD1-CG2 3.18Å; Y570-V593 HydrophobicContact CD1-CG2 4.05Å; V593-T595 VanDerWaalsContact C-N 3.29Å; V593-T595 PolarHBondContact O-N 2.88Å; V593-D693 HydrophobicContact CG1-CB 3.64Å; V593-D693 WeakPolarHBondContact CG1-OD2 3.17Å; V593-P742 HydrophobicContact CG1-CB 4.04Å; V593-H743 WeakPolarHBondContact CG1-O 3.37Å
594	G	74.1	Confident	86.8	Confident	22 Å²	22	39.8 Å²	39.8	23%	0.227	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	3.5	177.7	0	0	0	0	0	116.7	R592 D693 D744	R592-G594 PolarHBondContact O-N 2.76Å; G594-D693 WeakPolarHBondContact CA-OD2 3.4Å; G594-D693 PolarHBondContact N-OD2 2.61Å; G594-D744 VanDerWaalsContact CA-CG 3.42Å; G594-D744 WeakPolarHBondContact CA-OD1 3.34Å
595	T	80.6	Confident	86.8	Confident	23 Å²	23	40.9 Å²	40.9	14%	0.141	22%	0.216	C	C	.	.	S	Bend	trans	-128.4	164.7	-176.7	73.3	0	0	0	0	113.4	R592 V593 I597 M747	R592-T595 WeakPolarHBondContact CB-OG1 3.4Å; R592-T595 HydrophobicContact CG-CG2 4.39Å; R592-T595 PolarHBondContact O-N 3.46Å; R592-T595 PolarHBondContact O-OG1 2.83Å; R592-T595 VanDerWaalsContact O-OG1 3.09Å; V593-T595 VanDerWaalsContact C-N 3.29Å; V593-T595 PolarHBondContact O-N 2.88Å; T595-I597 PolarHBondContact O-N 2.97Å; T595-I597 PolarHBondContact OG1-N 2.83Å; T595-M747 HydrophobicContact CG2-CE 3.89Å; T595-M747 HydrophobicContact CG2-SD 4.49Å
596	T	78.3	Confident	86.4	Confident	144 Å²	144	48.3 Å²	48.3	88%	0.883	25%	0.251	S	S	*	.	S	Bend	trans	-76.3	-0.3	171.8	55.9	0	0	0	0	113.5	G598	T596-G598 PolarHBondContact O-N 3.37Å
597	I	79	Confident	86.2	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.067	27%	0.268	C	S	.	.			trans	-75.4	117.9	176.6	-64.3	-178.9	0	0	0	108.7	Q41 S42 G591 R592 T595 M747	Q41-I597 HydrophobicContact CG-CD1 3.66Å; S42-I597 WeakPolarHBondContact O-CG2 3.16Å; G591-I597 CarbonylContact C-O 3.53Å; G591-I597 WeakPolarHBondContact CA-O 3.42Å; R592-I597 HydrophobicContact CB-CB 4.31Å; R592-I597 HydrophobicContact CB-CG2 4.5Å; R592-I597 PolarHBondContact N-O 3.17Å; T595-I597 PolarHBondContact O-N 2.97Å; T595-I597 PolarHBondContact OG1-N 2.83Å; I597-M747 HydrophobicContact CD1-CE 3.33Å; I597-M747 HydrophobicContact CD1-SD 3.55Å; I597-M747 VanDerWaalsContact CD1-SD 3.55Å; I597-M747 HydrophobicContact CG1-CE 3.84Å
598	G	83.2	Confident	86	Confident	19 Å²	19	54.2 Å²	54.2	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-175.5	-178.1	0	0	0	0	0	112.5	P43 W590 T596	P43-G598 PolarHBondContact O-N 3.12Å; P43-G598 VanDerWaalsContact O-N 3.16Å; W590-G598 CarbonylContact O-C 3.59Å; W590-G598 WeakPolarHBondContact O-CA 3.28Å; T596-G598 PolarHBondContact O-N 3.37Å
599	G	85.6	Confident	85.8	Confident	21 Å²	21	57.1 Å²	57.1	22%	0.216	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	166.9	175.2	0	0	0	0	0	110.5	W590	W590-G599 PolarHBondContact N-O 2.96Å; W590-G599 PolarHBondContact O-N 2.73Å
600	N	89.6	Confident	85.9	Confident	80 Å²	80	59.8 Å²	59.8	43%	0.428	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.4	173.3	61.6	31.6	0	0	0	110.1	D537 F587 R588	D537-N600 PolarHBondContact O-ND2 3.35Å; F587-N600 HydrophobicContact CE2-CB 3.81Å; F587-N600 HydrophobicContact CZ-CB 3.8Å; R588-N600 CarbonylContact O-C 3.5Å; R588-N600 WeakPolarHBondContact O-CA 3.42Å
601	K	91.7	Very high	85.9	Confident	95 Å²	95	56.2 Å²	56.2	41%	0.413	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	130.3	176	-176.4	167.6	173.1	-170.2	0	109.7	R588 W590 D603	R588-K601 PolarHBondContact N-O 3.34Å; R588-K601 PolarHBondContact O-N 3.33Å; W590-K601 HydrophobicContact CH2-CB 3.83Å; W590-K601 HydrophobicContact CZ3-CB 3.78Å; K601-D603 WeakPolarHBondContact CE-OD1 3.27Å; K601-D603 WeakPolarHBondContact CE-OD2 3.1Å; K601-D603 IonicContact NZ-OD1 3.4Å; K601-D603 PolarHBondContact NZ-OD1 3Å
602	L	91.1	Very high	86	Confident	54 Å²	54	56.8 Å²	56.8	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.9	176.5	-175	73.5	0	0	0	108.6	L540 L576 W585 F587	L540-L602 HydrophobicContact CD1-CD1 4.17Å; L540-L602 HydrophobicContact CD1-CD2 3.77Å; L540-L602 HydrophobicContact CG-CD2 4.25Å; L576-L602 HydrophobicContact CD1-CD1 4.46Å; W585-L602 HydrophobicContact CB-CD1 3.69Å; W585-L602 HydrophobicContact CB-CG 4.35Å; W585-L602 HydrophobicContact CG-CD1 4.15Å; W585-L602 HydrophobicContact CG-CG 4.41Å; F587-L602 HydrophobicContact CB-CD1 3.91Å; F587-L602 HydrophobicContact CD2-CB 4.31Å; F587-L602 HydrophobicContact CD2-CD1 3.93Å; F587-L602 HydrophobicContact CG-CD1 4.39Å
603	D	90.2	Very high	86.3	Confident	35 Å²	35	61.3 Å²	61.3	19%	0.187	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.5	175.7	-66.5	-72	0	0	0	109.9	W585 V586 R588 K601 F605	W585-D603 CarbonylContact C-O 3.56Å; W585-D603 WeakPolarHBondContact CA-O 3.32Å; V586-D603 PolarHBondContact N-O 3.09Å; V586-D603 PolarHBondContact O-N 2.88Å; R588-D603 IonicContact CZ-OD2 3.6Å; R588-D603 VanDerWaalsContact CZ-OD2 3.27Å; R588-D603 IonicContact NE-OD2 3.8Å; R588-D603 PolarHBondContact NE-OD2 3.15Å; R588-D603 IonicContact NH2-OD1 2.66Å; R588-D603 IonicContact NH2-OD2 3.63Å; R588-D603 PolarHBondContact NH2-OD2 3.11Å; K601-D603 WeakPolarHBondContact CE-OD1 3.27Å; K601-D603 WeakPolarHBondContact CE-OD2 3.1Å; K601-D603 IonicContact NZ-OD1 3.4Å; K601-D603 PolarHBondContact NZ-OD1 3Å; D603-F605 HydrophobicContact CB-CE2 3.61Å; D603-F605 HydrophobicContact CB-CZ 4.02Å
604	K	90.4	Very high	86.7	Confident	159 Å²	159	63.3 Å²	63.3	69%	0.691	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.6	-178.6	-43.6	-163.6	171.7	177.2	0	110.4
605	F	89.2	Confident	87.6	Confident	42 Å²	42	62.3 Å²	62.3	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.6	177.9	-62.7	-87.7	0	0	0	110.3	Y584 V586 D603 A611 N614	Y584-F605 PolarHBondContact N-O 3.48Å; Y584-F605 VanDerWaalsContact N-O 3.11Å; Y584-F605 PolarHBondContact O-N 3.27Å; Y584-F605 VanDerWaalsContact O-O 3.11Å; V586-F605 HydrophobicContact CB-CE2 3.9Å; V586-F605 HydrophobicContact CG2-CD2 4.05Å; V586-F605 HydrophobicContact CG2-CE2 3.6Å; V586-F605 HydrophobicContact CG2-CZ 4.45Å; D603-F605 HydrophobicContact CB-CE2 3.61Å; D603-F605 HydrophobicContact CB-CZ 4.02Å; F605-A611 HydrophobicContact CB-CB 3.85Å; F605-A611 HydrophobicContact CD2-CB 3.95Å; F605-A611 HydrophobicContact CG-CB 3.89Å; F605-N614 HydrophobicContact CE1-CB 4.1Å; F605-N614 HydrophobicContact CE2-CB 4.31Å; F605-N614 HydrophobicContact CZ-CB 3.66Å
606	H	83.4	Confident	88.1	Confident	171 Å²	171	64.1 Å²	64.1	79%	0.792	34%	0.339	S	S	*	.	S	Bend	trans	-95.8	-14.9	178.5	-62.4	-69.9	0	0	0	112.8
607	D	87.3	Confident	88.8	Confident	69 Å²	69	60.9 Å²	60.9	37%	0.369	32%	0.322	S	S	.	.	S	Bend	trans	-128.5	141.7	-177.1	171.6	-119	0	0	0	110.5	N609 S610 A611	D607-N609 WeakPolarHBondContact OD1-CB 3.41Å; D607-N609 PolarHBondContact OD1-N 3.49Å; D607-S610 PolarHBondContact OD1-N 2.78Å; D607-S610 PolarHBondContact OD1-OG 2.92Å; D607-S610 VanDerWaalsContact OD1-OG 3.06Å; D607-A611 PolarHBondContact O-N 3.28Å
608	K	87.3	Confident	89.4	Confident	56 Å²	56	60.5 Å²	60.5	24%	0.243	32%	0.321	C	S	.	.	H	α-helix	trans	-67.2	-43.9	-176.5	-173.4	171.6	179	163.8	0	111.6	Y584 S610 A611 L612	Y584-K608 HydrophobicContact CD1-CB 4.33Å; Y584-K608 HydrophobicContact CD1-CG 4.23Å; Y584-K608 HydrophobicContact CD2-CB 4.18Å; Y584-K608 HydrophobicContact CE1-CB 3.84Å; Y584-K608 HydrophobicContact CE1-CD 3.98Å; Y584-K608 HydrophobicContact CE1-CG 3.71Å; Y584-K608 HydrophobicContact CE2-CB 3.69Å; Y584-K608 HydrophobicContact CE2-CG 4.48Å; Y584-K608 HydrophobicContact CG-CB 4.49Å; K608-S610 VanDerWaalsContact C-N 3.35Å; K608-A611 PolarHBondContact O-N 3.27Å; K608-L612 HydrophobicContact CG-CD1 4.16Å; K608-L612 WeakPolarHBondContact O-CG 3.43Å; K608-L612 PolarHBondContact O-N 3.45Å
609	N	89.3	Confident	89.8	Confident	101 Å²	101	60.3 Å²	60.3	54%	0.54	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-42.7	-177.4	-61.9	-34.1	0	0	0	110.3	D607 A611 L612 D613	D607-N609 WeakPolarHBondContact OD1-CB 3.41Å; D607-N609 PolarHBondContact OD1-N 3.49Å; N609-A611 VanDerWaalsContact C-N 3.28Å; N609-A611 PolarHBondContact O-N 3.41Å; N609-L612 WeakPolarHBondContact O-CB 3.07Å; N609-L612 PolarHBondContact O-N 3.32Å; N609-D613 PolarHBondContact O-N 2.98Å
610	S	89.9	Confident	90.1	Very high	58 Å²	58	64.1 Å²	64.1	41%	0.406	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-39.3	174.4	-58.2	0	0	0	0	113	D607 K608 N614	D607-S610 PolarHBondContact OD1-N 2.78Å; D607-S610 PolarHBondContact OD1-OG 2.92Å; D607-S610 VanDerWaalsContact OD1-OG 3.06Å; K608-S610 VanDerWaalsContact C-N 3.35Å; S610-N614 WeakPolarHBondContact O-CB 3.22Å; S610-N614 PolarHBondContact O-N 3.06Å; S610-N614 VanDerWaalsContact O-N 3.15Å
611	A	89.6	Confident	90.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-71.5	-39	177.5	0	0	0	0	0	112.1	L575 Y584 V586 F605 D607 K608 N609 N614 F615	L575-A611 HydrophobicContact CD1-CB 3.59Å; Y584-A611 HydrophobicContact CG-CB 4.41Å; V586-A611 HydrophobicContact CG2-CB 4.39Å; V586-A611 WeakPolarHBondContact CG2-O 2.98Å; F605-A611 HydrophobicContact CB-CB 3.85Å; F605-A611 HydrophobicContact CD2-CB 3.95Å; F605-A611 HydrophobicContact CG-CB 3.89Å; D607-A611 PolarHBondContact O-N 3.28Å; K608-A611 PolarHBondContact O-N 3.27Å; N609-A611 VanDerWaalsContact C-N 3.28Å; N609-A611 PolarHBondContact O-N 3.41Å; A611-N614 PolarHBondContact O-N 2.9Å; A611-F615 WeakPolarHBondContact O-CB 3.32Å; A611-F615 PolarHBondContact O-N 2.8Å
612	L	89.3	Confident	90.2	Very high	16 Å²	16	63 Å²	63	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-49.6	173.5	-79.7	167.4	0	0	0	111.5	L547 Y554 L575 K608 N609 N614 F615 L616	L547-L612 HydrophobicContact CD2-CD2 4.07Å; L547-L612 HydrophobicContact CD2-CG 4.41Å; Y554-L612 HydrophobicContact CD1-CD2 3.85Å; Y554-L612 HydrophobicContact CD2-CD2 4.31Å; Y554-L612 HydrophobicContact CE1-CD2 3.38Å; Y554-L612 HydrophobicContact CE2-CD2 3.88Å; Y554-L612 HydrophobicContact CG-CD2 4.28Å; L575-L612 HydrophobicContact CD2-CD2 3.5Å; L575-L612 HydrophobicContact CD2-CG 3.94Å; K608-L612 HydrophobicContact CG-CD1 4.16Å; K608-L612 WeakPolarHBondContact O-CG 3.43Å; K608-L612 PolarHBondContact O-N 3.45Å; N609-L612 WeakPolarHBondContact O-CB 3.07Å; N609-L612 PolarHBondContact O-N 3.32Å; L612-N614 VanDerWaalsContact C-N 3.25Å; L612-N614 PolarHBondContact O-N 2.9Å; L612-F615 WeakPolarHBondContact O-CB 3.39Å; L612-F615 PolarHBondContact O-N 3.18Å; L612-F615 VanDerWaalsContact O-N 3.1Å; L612-L616 WeakPolarHBondContact O-CB 3.24Å; L612-L616 VanDerWaalsContact O-CG 3.22Å; L612-L616 WeakPolarHBondContact O-CG 3.35Å; L612-L616 PolarHBondContact O-N 3.28Å
613	D	90.1	Very high	90.1	Very high	106 Å²	106	60.4 Å²	60.4	57%	0.567	30%	0.304	S	S	*	.	H	α-helix	trans	-59	-39.6	178.2	-73	-20.2	0	0	0	111.5	N609 S617	N609-D613 PolarHBondContact O-N 2.98Å; D613-S617 WeakPolarHBondContact O-CB 3.33Å; D613-S617 PolarHBondContact O-N 3.42Å
614	N	92.5	Very high	90	Very high	46 Å²	46	60 Å²	60	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-47.1	174.6	-168.1	-91.7	0	0	0	111.9	V586 F605 S610 A611 L612 S617 V618	V586-N614 HydrophobicContact CG2-CB 4.29Å; F605-N614 HydrophobicContact CE1-CB 4.1Å; F605-N614 HydrophobicContact CE2-CB 4.31Å; F605-N614 HydrophobicContact CZ-CB 3.66Å; S610-N614 WeakPolarHBondContact O-CB 3.22Å; S610-N614 PolarHBondContact O-N 3.06Å; S610-N614 VanDerWaalsContact O-N 3.15Å; A611-N614 PolarHBondContact O-N 2.9Å; L612-N614 VanDerWaalsContact C-N 3.25Å; L612-N614 PolarHBondContact O-N 2.9Å; N614-S617 PolarHBondContact O-N 3.05Å; N614-V618 WeakPolarHBondContact O-CB 3.4Å; N614-V618 VanDerWaalsContact O-CG2 3.25Å; N614-V618 WeakPolarHBondContact O-CG2 3.46Å; N614-V618 PolarHBondContact O-N 2.92Å
615	F	92.1	Very high	90	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-49.2	177	179.1	-81.8	0	0	0	111.3	Y554 L573 L575 V586 A611 L612 V618 Y619 W627	Y554-F615 AromaticContact CD1-CD1 3.82Å; Y554-F615 HydrophobicContact CD1-CD1 3.82Å; Y554-F615 AromaticContact CD1-CE1 3.75Å; Y554-F615 HydrophobicContact CD1-CE1 3.75Å; Y554-F615 HydrophobicContact CD1-CG 4.46Å; Y554-F615 HydrophobicContact CD1-CZ 4.3Å; Y554-F615 WeakPolarHBondContact O-CE2 3.19Å; L573-F615 HydrophobicContact CB-CE2 4.33Å; L573-F615 HydrophobicContact CD1-CD2 4.24Å; L573-F615 HydrophobicContact CD2-CD1 4.46Å; L573-F615 HydrophobicContact CD2-CD2 3.79Å; L573-F615 HydrophobicContact CD2-CE1 4.35Å; L573-F615 HydrophobicContact CD2-CE2 3.7Å; L573-F615 HydrophobicContact CD2-CG 4.18Å; L573-F615 HydrophobicContact CD2-CZ 3.99Å; L573-F615 HydrophobicContact CG-CD2 3.64Å; L573-F615 HydrophobicContact CG-CE2 3.5Å; L573-F615 VanDerWaalsContact CG-CE2 3.5Å; L573-F615 HydrophobicContact CG-CG 4.48Å; L573-F615 HydrophobicContact CG-CZ 4.21Å; L575-F615 HydrophobicContact CB-CD2 3.84Å; L575-F615 HydrophobicContact CB-CE2 4.33Å; L575-F615 HydrophobicContact CB-CG 4.43Å; L575-F615 HydrophobicContact CD2-CB 4.5Å; V586-F615 HydrophobicContact CG2-CB 4.49Å; A611-F615 WeakPolarHBondContact O-CB 3.32Å; A611-F615 PolarHBondContact O-N 2.8Å; L612-F615 WeakPolarHBondContact O-CB 3.39Å; L612-F615 PolarHBondContact O-N 3.18Å; L612-F615 VanDerWaalsContact O-N 3.1Å; F615-V618 PolarHBondContact O-N 2.81Å; F615-Y619 WeakPolarHBondContact O-CB 3.44Å; F615-Y619 PolarHBondContact O-N 2.82Å; F615-W627 AromaticContact CE1-CD2 3.75Å; F615-W627 HydrophobicContact CE1-CD2 3.75Å; F615-W627 AromaticContact CE1-CE2 3.93Å; F615-W627 AromaticContact CE1-CE3 3.68Å; F615-W627 HydrophobicContact CE1-CE3 3.68Å; F615-W627 HydrophobicContact CE1-CG 4.4Å; F615-W627 HydrophobicContact CE1-CH2 4.03Å; F615-W627 HydrophobicContact CE1-CZ2 4.09Å; F615-W627 AromaticContact CE1-CZ3 3.82Å; F615-W627 HydrophobicContact CE1-CZ3 3.82Å; F615-W627 HydrophobicContact CZ-CE3 4.21Å; F615-W627 AromaticContact CZ-CH2 3.84Å; F615-W627 HydrophobicContact CZ-CH2 3.84Å; F615-W627 HydrophobicContact CZ-CZ2 4.16Å; F615-W627 AromaticContact CZ-CZ3 3.85Å; F615-W627 HydrophobicContact CZ-CZ3 3.85Å
616	L	91.3	Very high	89.9	Confident	62 Å²	62	55.4 Å²	55.4	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-44.4	179.9	-66.6	176.2	0	0	0	111.6	L612 Y619 K620 W627	L612-L616 WeakPolarHBondContact O-CB 3.24Å; L612-L616 VanDerWaalsContact O-CG 3.22Å; L612-L616 WeakPolarHBondContact O-CG 3.35Å; L612-L616 PolarHBondContact O-N 3.28Å; L616-Y619 PolarHBondContact O-N 3.39Å; L616-K620 WeakPolarHBondContact O-CB 3.06Å; L616-K620 PolarHBondContact O-N 2.89Å; L616-W627 HydrophobicContact CD2-CB 3.23Å; L616-W627 HydrophobicContact CD2-CG 3.72Å
617	S	92.1	Very high	90	Very high	75 Å²	75	50 Å²	50	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-45	176.7	-178.5	0	0	0	0	111.7	D613 N614 E621	D613-S617 WeakPolarHBondContact O-CB 3.33Å; D613-S617 PolarHBondContact O-N 3.42Å; N614-S617 PolarHBondContact O-N 3.05Å; S617-E621 WeakPolarHBondContact O-CB 3.44Å; S617-E621 PolarHBondContact O-N 2.94Å
618	V	92.3	Very high	89.5	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-42.7	179	172.9	0	0	0	0	110.4	Y571 L573 N614 F615 E621 K622	Y571-V618 HydrophobicContact CE1-CG1 4.15Å; L573-V618 HydrophobicContact CD1-CB 4.43Å; L573-V618 HydrophobicContact CD1-CG1 3.93Å; L573-V618 HydrophobicContact CD2-CB 4.39Å; L573-V618 HydrophobicContact CD2-CG1 4.15Å; N614-V618 WeakPolarHBondContact O-CB 3.4Å; N614-V618 VanDerWaalsContact O-CG2 3.25Å; N614-V618 WeakPolarHBondContact O-CG2 3.46Å; N614-V618 PolarHBondContact O-N 2.92Å; F615-V618 PolarHBondContact O-N 2.81Å; V618-E621 PolarHBondContact O-N 2.94Å; V618-K622 HydrophobicContact CG1-CG 4.39Å; V618-K622 WeakPolarHBondContact O-CG 3.46Å; V618-K622 PolarHBondContact O-N 3.47Å
619	Y	91.7	Very high	89.2	Confident	15 Å²	15	49.3 Å²	49.3	6%	0.059	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-51	176.1	-175.7	-93.5	0	0	0	111	A556 L558 F615 L616 E621 K622 T623 N625 W627	A556-Y619 HydrophobicContact CB-CD2 4.41Å; A556-Y619 HydrophobicContact CB-CE2 4.13Å; L558-Y619 HydrophobicContact CD2-CE2 3.96Å; F615-Y619 WeakPolarHBondContact O-CB 3.44Å; F615-Y619 PolarHBondContact O-N 2.82Å; L616-Y619 PolarHBondContact O-N 3.39Å; Y619-E621 VanDerWaalsContact C-N 3.33Å; Y619-E621 PolarHBondContact O-N 2.98Å; Y619-K622 PolarHBondContact O-N 2.78Å; Y619-K622 VanDerWaalsContact O-N 3.1Å; Y619-T623 HydrophobicContact CD1-CG2 4.36Å; Y619-T623 HydrophobicContact CD2-CG2 4.04Å; Y619-T623 HydrophobicContact CE1-CG2 4.05Å; Y619-T623 WeakPolarHBondContact CE1-OG1 3.33Å; Y619-T623 HydrophobicContact CE2-CG2 3.71Å; Y619-T623 HydrophobicContact CG-CG2 4.36Å; Y619-T623 PolarHBondContact O-N 3.32Å; Y619-T623 PolarHBondContact O-OG1 2.82Å; Y619-N625 WeakPolarHBondContact CD1-O 2.98Å; Y619-W627 HydrophobicContact CD1-CB 4.33Å; Y619-W627 AromaticContact CD1-CE3 3.92Å; Y619-W627 HydrophobicContact CD1-CE3 3.92Å; Y619-W627 AromaticContact CD2-CE3 3.54Å; Y619-W627 HydrophobicContact CD2-CE3 3.54Å; Y619-W627 AromaticContact CD2-CZ3 3.63Å; Y619-W627 HydrophobicContact CD2-CZ3 3.63Å; Y619-W627 AromaticContact CE1-CE3 3.9Å; Y619-W627 HydrophobicContact CE1-CE3 3.9Å; Y619-W627 AromaticContact CE2-CE3 3.51Å; Y619-W627 HydrophobicContact CE2-CE3 3.51Å; Y619-W627 AromaticContact CE2-CZ3 3.43Å; Y619-W627 HydrophobicContact CE2-CZ3 3.43Å; Y619-W627 VanDerWaalsContact CE2-CZ3 3.43Å; Y619-W627 AromaticContact CG-CE3 3.74Å; Y619-W627 HydrophobicContact CG-CE3 3.74Å; Y619-W627 HydrophobicContact CG-CZ3 4.3Å; Y619-W627 AromaticContact CZ-CE3 3.69Å; Y619-W627 AromaticContact CZ-CZ3 3.96Å
620	K	91.8	Very high	88.3	Confident	101 Å²	101	49.9 Å²	49.9	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-39.3	177.3	-171.3	174.7	-167.4	147.6	0	112.4	L616 K622 G624 N625 D626	L616-K620 WeakPolarHBondContact O-CB 3.06Å; L616-K620 PolarHBondContact O-N 2.89Å; K620-K622 VanDerWaalsContact C-N 3.32Å; K620-K622 PolarHBondContact O-N 2.75Å; K620-G624 WeakPolarHBondContact O-CA 3.01Å; K620-G624 PolarHBondContact O-N 3.06Å; K620-N625 WeakPolarHBondContact CA-O 3.28Å; K620-D626 WeakPolarHBondContact CD-OD1 3.44Å; K620-D626 WeakPolarHBondContact CE-OD1 2.91Å; K620-D626 IonicContact NZ-OD1 3.09Å; K620-D626 PolarHBondContact NZ-OD1 3.26Å; K620-D626 IonicContact NZ-OD2 3.26Å; K620-D626 PolarHBondContact NZ-OD2 2.95Å
621	E	92.1	Very high	87.7	Confident	101 Å²	101	53.3 Å²	53.3	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-41	175.1	-168.7	-154.8	127.6	0	0	111.5	S617 V618 Y619 K638	S617-E621 WeakPolarHBondContact O-CB 3.44Å; S617-E621 PolarHBondContact O-N 2.94Å; V618-E621 PolarHBondContact O-N 2.94Å; Y619-E621 VanDerWaalsContact C-N 3.33Å; Y619-E621 PolarHBondContact O-N 2.98Å; E621-K638 PolarHBondContact O-NZ 3.3Å
622	K	90.4	Very high	87.6	Confident	50 Å²	50	55.9 Å²	55.9	22%	0.217	31%	0.313	C	S	.	.	H	α-helix	trans	-84.5	-36.8	-175.9	-63.4	-46	-179	-157.3	0	114.3	L558 Y571 V618 Y619 K620 K638 F639	L558-K622 HydrophobicContact CD1-CB 3.96Å; Y571-K622 HydrophobicContact CD1-CG 4.24Å; Y571-K622 HydrophobicContact CE1-CG 4Å; V618-K622 HydrophobicContact CG1-CG 4.39Å; V618-K622 WeakPolarHBondContact O-CG 3.46Å; V618-K622 PolarHBondContact O-N 3.47Å; Y619-K622 PolarHBondContact O-N 2.78Å; Y619-K622 VanDerWaalsContact O-N 3.1Å; K620-K622 VanDerWaalsContact C-N 3.32Å; K620-K622 PolarHBondContact O-N 2.75Å; K622-K638 WeakPolarHBondContact O-CB 3.41Å; K622-K638 WeakPolarHBondContact O-CD 3.5Å; K622-F639 HydrophobicContact CB-CD2 4.24Å; K622-F639 PolarHBondContact O-N 3.18Å
623	T	89.8	Confident	87.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-100.8	-25	-175.8	67.7	0	0	0	0	113.4	L558 Y619 N625 F632	L558-T623 HydrophobicContact CD1-CG2 3.74Å; L558-T623 HydrophobicContact CD2-CG2 3.88Å; L558-T623 HydrophobicContact CG-CG2 4.46Å; Y619-T623 HydrophobicContact CD1-CG2 4.36Å; Y619-T623 HydrophobicContact CD2-CG2 4.04Å; Y619-T623 HydrophobicContact CE1-CG2 4.05Å; Y619-T623 WeakPolarHBondContact CE1-OG1 3.33Å; Y619-T623 HydrophobicContact CE2-CG2 3.71Å; Y619-T623 HydrophobicContact CG-CG2 4.36Å; Y619-T623 PolarHBondContact O-N 3.32Å; Y619-T623 PolarHBondContact O-OG1 2.82Å; T623-N625 PolarHBondContact O-ND2 3.33Å; T623-N625 PolarHBondContact OG1-N 2.9Å; T623-N625 VanDerWaalsContact OG1-N 3.15Å; T623-N625 PolarHBondContact OG1-O 2.85Å; T623-F632 HydrophobicContact CG2-CE2 4.32Å
624	G	88.1	Confident	87.3	Confident	27 Å²	27	54.4 Å²	54.4	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	80.1	-2.4	-170.8	0	0	0	0	0	114.6	K620	K620-G624 WeakPolarHBondContact O-CA 3.01Å; K620-G624 PolarHBondContact O-N 3.06Å
625	N	89.8	Confident	87	Confident	13 Å²	13	57 Å²	57	7%	0.07	32%	0.315	C	S	.	.	S	Bend	trans	-114.4	154.1	-177.2	-64.5	-90.4	0	0	0	111.2	Y619 K620 T623 F632 T633	Y619-N625 WeakPolarHBondContact CD1-O 2.98Å; K620-N625 WeakPolarHBondContact CA-O 3.28Å; T623-N625 PolarHBondContact O-ND2 3.33Å; T623-N625 PolarHBondContact OG1-N 2.9Å; T623-N625 VanDerWaalsContact OG1-N 3.15Å; T623-N625 PolarHBondContact OG1-O 2.85Å; N625-F632 HydrophobicContact CB-CD2 4.19Å; N625-F632 HydrophobicContact CB-CE2 3.99Å; N625-F632 VanDerWaalsContact ND2-CE2 3.29Å; N625-F632 WeakPolarHBondContact ND2-CE2 2.98Å; N625-F632 WeakPolarHBondContact ND2-CZ 3.47Å; N625-T633 PolarHBondContact ND2-O 2.95Å; N625-T633 PolarHBondContact OD1-N 3.09Å
626	D	88	Confident	86.5	Confident	91 Å²	91	59.4 Å²	59.4	49%	0.487	33%	0.33	S	S	.	.			trans	-75.8	144.9	170.7	-68.2	-55.6	0	0	0	110.8	K620 T629	K620-D626 WeakPolarHBondContact CD-OD1 3.44Å; K620-D626 WeakPolarHBondContact CE-OD1 2.91Å; K620-D626 IonicContact NZ-OD1 3.09Å; K620-D626 PolarHBondContact NZ-OD1 3.26Å; K620-D626 IonicContact NZ-OD2 3.26Å; K620-D626 PolarHBondContact NZ-OD2 2.95Å; D626-T629 PolarHBondContact O-OG1 3.01Å
627	W	85.9	Confident	86.1	Confident	56 Å²	56	60 Å²	60	21%	0.212	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	136.5	-177.2	-179	-106.7	0	0	0	112	M553 Y554 A556 F615 L616 Y619 T629	M553-W627 WeakPolarHBondContact O-CZ2 3.37Å; Y554-W627 HydrophobicContact CD1-CZ2 4.47Å; Y554-W627 AromaticContact CD1-NE1 3.71Å; Y554-W627 AromaticContact CE1-CD1 3.79Å; Y554-W627 AromaticContact CE1-NE1 3.52Å; A556-W627 HydrophobicContact CB-CH2 4.03Å; A556-W627 HydrophobicContact CB-CZ3 3.78Å; F615-W627 AromaticContact CE1-CD2 3.75Å; F615-W627 HydrophobicContact CE1-CD2 3.75Å; F615-W627 AromaticContact CE1-CE2 3.93Å; F615-W627 AromaticContact CE1-CE3 3.68Å; F615-W627 HydrophobicContact CE1-CE3 3.68Å; F615-W627 HydrophobicContact CE1-CG 4.4Å; F615-W627 HydrophobicContact CE1-CH2 4.03Å; F615-W627 HydrophobicContact CE1-CZ2 4.09Å; F615-W627 AromaticContact CE1-CZ3 3.82Å; F615-W627 HydrophobicContact CE1-CZ3 3.82Å; F615-W627 HydrophobicContact CZ-CE3 4.21Å; F615-W627 AromaticContact CZ-CH2 3.84Å; F615-W627 HydrophobicContact CZ-CH2 3.84Å; F615-W627 HydrophobicContact CZ-CZ2 4.16Å; F615-W627 AromaticContact CZ-CZ3 3.85Å; F615-W627 HydrophobicContact CZ-CZ3 3.85Å; L616-W627 HydrophobicContact CD2-CB 3.23Å; L616-W627 HydrophobicContact CD2-CG 3.72Å; Y619-W627 HydrophobicContact CD1-CB 4.33Å; Y619-W627 AromaticContact CD1-CE3 3.92Å; Y619-W627 HydrophobicContact CD1-CE3 3.92Å; Y619-W627 AromaticContact CD2-CE3 3.54Å; Y619-W627 HydrophobicContact CD2-CE3 3.54Å; Y619-W627 AromaticContact CD2-CZ3 3.63Å; Y619-W627 HydrophobicContact CD2-CZ3 3.63Å; Y619-W627 AromaticContact CE1-CE3 3.9Å; Y619-W627 HydrophobicContact CE1-CE3 3.9Å; Y619-W627 AromaticContact CE2-CE3 3.51Å; Y619-W627 HydrophobicContact CE2-CE3 3.51Å; Y619-W627 AromaticContact CE2-CZ3 3.43Å; Y619-W627 HydrophobicContact CE2-CZ3 3.43Å; Y619-W627 VanDerWaalsContact CE2-CZ3 3.43Å; Y619-W627 AromaticContact CG-CE3 3.74Å; Y619-W627 HydrophobicContact CG-CE3 3.74Å; Y619-W627 HydrophobicContact CG-CZ3 4.3Å; Y619-W627 AromaticContact CZ-CE3 3.69Å; Y619-W627 AromaticContact CZ-CZ3 3.96Å; W627-T629 VanDerWaalsContact C-N 3.32Å; W627-T629 PolarHBondContact O-N 3.43Å
628	G	77.2	Confident	85.9	Confident	37 Å²	37	59.9 Å²	59.9	38%	0.381	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	13.1	174.7	0	0	0	0	0	115.2	K552	K552-G628 PolarHBondContact NZ-O 2.91Å
629	T	79.3	Confident	85.7	Confident	74 Å²	74	61 Å²	61	45%	0.454	33%	0.328	S	S	.	.			trans	-66.3	133.1	168.3	-50.4	0	0	0	0	109.9	D626 W627	D626-T629 PolarHBondContact O-OG1 3.01Å; W627-T629 VanDerWaalsContact C-N 3.32Å; W627-T629 PolarHBondContact O-N 3.43Å
630	S	71.4	Confident	85.7	Confident	114 Å²	114	63 Å²	63	80%	0.797	34%	0.336	S	S	*	.	S	Bend	trans	-70.8	-33.5	179.9	45.9	0	0	0	0	113.3
631	N	77.8	Confident	85.5	Confident	129 Å²	129	59.4 Å²	59.4	69%	0.69	32%	0.323	S	S	*	.	S	Bend	trans	-107.6	95	179.7	-65	-20.3	0	0	0	110.1
632	F	86.3	Confident	85.1	Confident	54 Å²	54	55.3 Å²	55.3	24%	0.237	30%	0.304	C	S	.	.			trans	-73.7	127.8	176.6	-174.1	-87.8	0	0	0	111	T623 N625 Y640 P641	T623-F632 HydrophobicContact CG2-CE2 4.32Å; N625-F632 HydrophobicContact CB-CD2 4.19Å; N625-F632 HydrophobicContact CB-CE2 3.99Å; N625-F632 VanDerWaalsContact ND2-CE2 3.29Å; N625-F632 WeakPolarHBondContact ND2-CE2 2.98Å; N625-F632 WeakPolarHBondContact ND2-CZ 3.47Å; F632-Y640 AromaticContact CD1-CD2 3.79Å; F632-Y640 HydrophobicContact CD1-CD2 3.79Å; F632-Y640 AromaticContact CD1-CE2 3.7Å; F632-Y640 HydrophobicContact CD1-CE2 3.7Å; F632-Y640 AromaticContact CE1-CD2 3.52Å; F632-Y640 HydrophobicContact CE1-CD2 3.52Å; F632-Y640 AromaticContact CE1-CE2 3.95Å; F632-Y640 HydrophobicContact CE1-CE2 3.95Å; F632-Y640 HydrophobicContact CE1-CG 4.44Å; F632-Y640 HydrophobicContact CZ-CD2 4.5Å; F632-P641 HydrophobicContact CD1-CG 4.3Å; F632-P641 HydrophobicContact CD2-CG 3.6Å; F632-P641 VanDerWaalsContact CE1-CD 3.47Å; F632-P641 HydrophobicContact CE1-CG 4.28Å; F632-P641 HydrophobicContact CE2-CG 3.55Å; F632-P641 HydrophobicContact CG-CG 3.99Å; F632-P641 HydrophobicContact CZ-CG 3.93Å
633	T	86	Confident	84.3	Confident	75 Å²	75	58 Å²	58	46%	0.46	32%	0.317	S	S	.	.			trans	-109.5	121.9	174.4	-54.4	0	0	0	0	110.2	N625 Y635	N625-T633 PolarHBondContact ND2-O 2.95Å; N625-T633 PolarHBondContact OD1-N 3.09Å; T633-Y635 WeakPolarHBondContact O-CD2 3.32Å
634	K	87.1	Confident	83.2	Confident	17 Å²	17	59.2 Å²	59.2	7%	0.074	32%	0.324	C	S	.	.			trans	-67	138.2	174.5	-177.6	65.3	168.6	61.6	0	109.9	A315 W316 K638 Y640	A315-K634 HydrophobicContact CB-CB 3.96Å; A315-K634 HydrophobicContact CB-CG 3.83Å; A315-K634 WeakPolarHBondContact CB-O 3.35Å; A315-K634 WeakPolarHBondContact O-CG 3.46Å; A315-K634 PolarHBondContact O-NZ 3.42Å; W316-K634 HydrophobicContact CD2-CB 4.43Å; W316-K634 HydrophobicContact CD2-CD 4.39Å; W316-K634 HydrophobicContact CD2-CG 3.76Å; W316-K634 HydrophobicContact CE3-CD 4.25Å; W316-K634 HydrophobicContact CE3-CG 4.12Å; W316-K634 HydrophobicContact CG-CG 4.27Å; W316-K634 HydrophobicContact CH2-CB 4.45Å; W316-K634 HydrophobicContact CH2-CD 4.24Å; W316-K634 HydrophobicContact CH2-CG 4.25Å; W316-K634 HydrophobicContact CZ2-CB 3.78Å; W316-K634 HydrophobicContact CZ2-CD 4.35Å; W316-K634 HydrophobicContact CZ2-CG 3.87Å; W316-K634 HydrophobicContact CZ3-CD 4.18Å; W316-K634 HydrophobicContact CZ3-CG 4.35Å; K634-K638 WeakPolarHBondContact CE-O 3.21Å; K634-K638 PolarHBondContact NZ-O 3.33Å; K634-Y640 HydrophobicContact CD-CD2 4.22Å
635	Y	85.8	Confident	81.9	Confident	101 Å²	101	62.3 Å²	62.3	40%	0.396	33%	0.334	S	S	.	.			trans	-115.2	149	171.3	-70	-78.2	0	0	0	112	A315 T633 N637 K638	A315-Y635 CarbonylContact O-C 3.49Å; T633-Y635 WeakPolarHBondContact O-CD2 3.32Å; Y635-N637 PolarHBondContact O-N 2.77Å; Y635-K638 WeakPolarHBondContact O-CB 3.29Å; Y635-K638 PolarHBondContact O-N 2.96Å; Y635-K638 VanDerWaalsContact O-N 3.16Å
636	P	81.9	Confident	80.1	Confident	49 Å²	49	62.9 Å²	62.9	32%	0.318	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	135	176.7	-25.1	32	0	0	0	113.3	D312 A315 K638	D312-P636 HydrophobicContact CB-CB 4.45Å; D312-P636 HydrophobicContact CB-CG 4.35Å; D312-P636 VanDerWaalsContact OD2-CB 3.26Å; D312-P636 WeakPolarHBondContact OD2-CB 3.44Å; A315-P636 WeakPolarHBondContact O-CA 3.44Å; P636-K638 PolarHBondContact O-N 3.34Å
637	N	82.4	Confident	78.2	Confident	75 Å²	75	59 Å²	59	40%	0.401	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	14.3	-178.3	-54.1	-84.5	0	0	0	115.5	K318 Y635	K318-N637 WeakPolarHBondContact CE-OD1 3.33Å; K318-N637 PolarHBondContact NZ-OD1 3.29Å; Y635-N637 PolarHBondContact O-N 2.77Å
638	K	88.3	Confident	76.3	Confident	73 Å²	73	61.6 Å²	61.6	32%	0.317	33%	0.332	S	S	.	.			trans	-103.1	155.6	172.7	-62.6	-63.1	-173.1	172.8	0	111	E621 K622 K634 Y635 P636	E621-K638 PolarHBondContact O-NZ 3.3Å; K622-K638 WeakPolarHBondContact O-CB 3.41Å; K622-K638 WeakPolarHBondContact O-CD 3.5Å; K634-K638 WeakPolarHBondContact CE-O 3.21Å; K634-K638 PolarHBondContact NZ-O 3.33Å; Y635-K638 WeakPolarHBondContact O-CB 3.29Å; Y635-K638 PolarHBondContact O-N 2.96Å; Y635-K638 VanDerWaalsContact O-N 3.16Å; P636-K638 PolarHBondContact O-N 3.34Å
639	F	89.4	Confident	75.2	Confident	30 Å²	30	62.7 Å²	62.7	13%	0.132	33%	0.329	C	S	.	.			trans	-75.6	153.9	179.9	-71.3	-100.3	0	0	0	112	L558 L560 K622	L558-F639 HydrophobicContact CB-CB 3.58Å; L558-F639 HydrophobicContact CB-CD1 4Å; L558-F639 HydrophobicContact CB-CG 4.1Å; L558-F639 HydrophobicContact CD1-CB 3.95Å; L558-F639 HydrophobicContact CD1-CG 4.46Å; L558-F639 HydrophobicContact CG-CB 4.38Å; L560-F639 HydrophobicContact CB-CD1 3.59Å; L560-F639 HydrophobicContact CB-CE1 3.69Å; L560-F639 HydrophobicContact CB-CG 4.09Å; L560-F639 HydrophobicContact CB-CZ 4.28Å; L560-F639 HydrophobicContact CD2-CE2 4.37Å; L560-F639 HydrophobicContact CD2-CZ 4.36Å; K622-F639 HydrophobicContact CB-CD2 4.24Å; K622-F639 PolarHBondContact O-N 3.18Å
640	Y	90	Very high	73.9	Confident	56 Å²	56	61.2 Å²	61.2	22%	0.22	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.8	173.3	-176.3	-95.9	0	0	0	110.2	W316 L558 G559 F632 K634 L642 T739 L740	W316-Y640 HydrophobicContact CH2-CD1 4.21Å; W316-Y640 AromaticContact CH2-CD2 3.29Å; W316-Y640 HydrophobicContact CH2-CD2 3.29Å; W316-Y640 AromaticContact CH2-CE2 3.69Å; W316-Y640 HydrophobicContact CH2-CE2 3.69Å; W316-Y640 AromaticContact CH2-CG 3.59Å; W316-Y640 HydrophobicContact CH2-CG 3.59Å; W316-Y640 AromaticContact CZ2-CD2 3.93Å; W316-Y640 HydrophobicContact CZ2-CD2 3.93Å; W316-Y640 HydrophobicContact CZ2-CE2 4.07Å; W316-Y640 HydrophobicContact CZ3-CD2 4.14Å; W316-Y640 HydrophobicContact CZ3-CG 4.05Å; L558-Y640 CarbonylContact C-O 3.56Å; L558-Y640 VanDerWaalsContact CA-O 3.23Å; L558-Y640 WeakPolarHBondContact CA-O 3.4Å; G559-Y640 PolarHBondContact N-O 3.43Å; G559-Y640 PolarHBondContact O-N 3.11Å; F632-Y640 AromaticContact CD1-CD2 3.79Å; F632-Y640 HydrophobicContact CD1-CD2 3.79Å; F632-Y640 AromaticContact CD1-CE2 3.7Å; F632-Y640 HydrophobicContact CD1-CE2 3.7Å; F632-Y640 AromaticContact CE1-CD2 3.52Å; F632-Y640 HydrophobicContact CE1-CD2 3.52Å; F632-Y640 AromaticContact CE1-CE2 3.95Å; F632-Y640 HydrophobicContact CE1-CE2 3.95Å; F632-Y640 HydrophobicContact CE1-CG 4.44Å; F632-Y640 HydrophobicContact CZ-CD2 4.5Å; K634-Y640 HydrophobicContact CD-CD2 4.22Å; Y640-L642 HydrophobicContact CD1-CD2 4.11Å; Y640-T739 HydrophobicContact CD1-CG2 4.41Å; Y640-T739 HydrophobicContact CG-CG2 4.39Å; Y640-L740 HydrophobicContact CD1-CD2 4.07Å; Y640-L740 HydrophobicContact CE1-CD2 3.38Å
641	P	88.2	Confident	73	Confident	25 Å²	25	59.5 Å²	59.5	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.9	177.4	30.6	-34.4	0	0	0	111.4	L558 F632	L558-P641 HydrophobicContact CD2-CB 3.71Å; F632-P641 HydrophobicContact CD1-CG 4.3Å; F632-P641 HydrophobicContact CD2-CG 3.6Å; F632-P641 VanDerWaalsContact CE1-CD 3.47Å; F632-P641 HydrophobicContact CE1-CG 4.28Å; F632-P641 HydrophobicContact CE2-CG 3.55Å; F632-P641 HydrophobicContact CG-CG 3.99Å; F632-P641 HydrophobicContact CZ-CG 3.93Å
642	L	83.9	Confident	71.7	Confident	16 Å²	16	54 Å²	54	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.2	175.4	-55	177.2	0	0	0	109.2	T557 Y640 I644 T739 P742	T557-L642 HydrophobicContact CG2-CD1 4.33Å; T557-L642 PolarHBondContact O-N 3.42Å; Y640-L642 HydrophobicContact CD1-CD2 4.11Å; L642-I644 VanDerWaalsContact C-N 3.25Å; L642-I644 HydrophobicContact CB-CD1 4.43Å; L642-I644 HydrophobicContact CB-CG1 4.03Å; L642-I644 PolarHBondContact O-N 2.86Å; L642-T739 WeakPolarHBondContact CD2-O 3.25Å; L642-P742 HydrophobicContact CD1-CG 3.56Å
643	E	73.5	Confident	70.4	Confident	105 Å²	105	51.7 Å²	51.7	49%	0.491	26%	0.259	S	S	.	.			trans	-77.5	79.4	177.3	-68.9	-172.7	-178.7	0	0	109.7	S703 Q706	E643-S703 PolarHBondContact O-N 2.97Å; E643-S703 PolarHBondContact OE2-OG 2.95Å; E643-Q706 PolarHBondContact O-OE1 3.23Å; E643-Q706 VanDerWaalsContact O-OE1 3.04Å
644	I	67.4	Low	69	Low	26 Å²	26	53.6 Å²	53.6	13%	0.133	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-90.6	115.2	176.6	-55.7	-166.5	0	0	0	108.7	T557 L642 Y646 K701	T557-I644 VanDerWaalsContact CB-CD1 3.45Å; T557-I644 HydrophobicContact CG2-CD1 3.73Å; T557-I644 WeakPolarHBondContact OG1-CD1 3.29Å; L642-I644 VanDerWaalsContact C-N 3.25Å; L642-I644 HydrophobicContact CB-CD1 4.43Å; L642-I644 HydrophobicContact CB-CG1 4.03Å; L642-I644 PolarHBondContact O-N 2.86Å; I644-Y646 HydrophobicContact CB-CE1 4.39Å; I644-Y646 HydrophobicContact CB-CE2 4.11Å; I644-Y646 HydrophobicContact CG2-CD1 4.05Å; I644-Y646 HydrophobicContact CG2-CD2 4.46Å; I644-Y646 HydrophobicContact CG2-CE1 3.87Å; I644-Y646 HydrophobicContact CG2-CE2 4.32Å; I644-Y646 HydrophobicContact CG2-CG 4.34Å; I644-Y646 WeakPolarHBondContact O-CD2 3.42Å; I644-Y646 PolarHBondContact O-N 2.86Å; I644-Y646 VanDerWaalsContact O-N 3.16Å; I644-K701 CarbonylContact C-O 3.53Å; I644-K701 VanDerWaalsContact CA-O 3.25Å; I644-K701 WeakPolarHBondContact CA-O 3.33Å; I644-K701 HydrophobicContact CG2-CB 3.58Å; I644-K701 HydrophobicContact CG2-CD 4.04Å; I644-K701 HydrophobicContact CG2-CG 4.43Å
645	D	60.4	Low	67.7	Low	93 Å²	93	61 Å²	61	50%	0.497	29%	0.288	S	S	.	.			trans	-73.9	100.8	166.8	-176.4	7.1	0	0	0	107.9	G647 K701 R780	D645-G647 PolarHBondContact O-N 2.87Å; D645-K701 PolarHBondContact N-O 3.04Å; D645-K701 WeakPolarHBondContact O-CA 3.4Å; D645-K701 WeakPolarHBondContact O-CB 3.48Å; D645-K701 WeakPolarHBondContact O-CG 3.4Å; D645-R780 IonicContact OD2-NH1 3Å
646	Y	52	Low	66.3	Low	24 Å²	24	57.9 Å²	57.9	9%	0.094	28%	0.278	C	S	.	.			trans	-75.2	62.5	176.2	-62.2	-83.4	0	0	0	110.2	G531 A532 S555 T557 I644	G531-Y646 VanDerWaalsContact O-O 3.12Å; A532-Y646 HydrophobicContact CB-CG 4.29Å; S555-Y646 WeakPolarHBondContact OG-CE2 3.23Å; S555-Y646 PolarHBondContact OG-OH 2.94Å; T557-Y646 PolarHBondContact N-OH 3.42Å; T557-Y646 PolarHBondContact OG1-OH 3.26Å; I644-Y646 HydrophobicContact CB-CE1 4.39Å; I644-Y646 HydrophobicContact CB-CE2 4.11Å; I644-Y646 HydrophobicContact CG2-CD1 4.05Å; I644-Y646 HydrophobicContact CG2-CD2 4.46Å; I644-Y646 HydrophobicContact CG2-CE1 3.87Å; I644-Y646 HydrophobicContact CG2-CE2 4.32Å; I644-Y646 HydrophobicContact CG2-CG 4.34Å; I644-Y646 WeakPolarHBondContact O-CD2 3.42Å; I644-Y646 PolarHBondContact O-N 2.86Å; I644-Y646 VanDerWaalsContact O-N 3.16Å
647	G	48.4	Very low	65.1	Low	11 Å²	11	58.3 Å²	58.3	11%	0.113	28%	0.28	C	S	.	.			trans	-51.6	144.8	177.2	0	0	0	0	0	113	D645 D649	D645-G647 PolarHBondContact O-N 2.87Å; G647-D649 PolarHBondContact O-N 3.04Å
648	Q	46.1	Very low	63.8	Low	109 Å²	109	57.3 Å²	57.3	51%	0.509	28%	0.282	S	S	.	.	S	Bend	trans	-81.8	-0.1	-157.2	-68.9	173.5	8.5	0	0	116.2	V528 G531	V528-Q648 WeakPolarHBondContact CB-O 3.46Å; V528-Q648 HydrophobicContact CG1-CB 4.42Å; G531-Q648 WeakPolarHBondContact O-CG 3.47Å
649	D	53.4	Low	62.2	Low	60 Å²	60	59.9 Å²	59.9	32%	0.321	31%	0.309	S	S	.	.			trans	-143.9	46	-147.7	-86.2	-48.2	0	0	0	117.4	G647 E651 A652 V653	G647-D649 PolarHBondContact O-N 3.04Å; D649-E651 PolarHBondContact O-N 3.34Å; D649-A652 HydrophobicContact CB-CB 3.84Å; D649-A652 PolarHBondContact O-N 3.19Å; D649-V653 WeakPolarHBondContact O-CG2 3.42Å; D649-V653 PolarHBondContact O-N 3.46Å; D649-V653 VanDerWaalsContact O-N 3.11Å
650	E	52.3	Low	60.2	Low	43 Å²	43	60.1 Å²	60.1	20%	0.201	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-28.1	168.6	-83.7	-163.7	-177.2	0	0	112.8	K654	E650-K654 WeakPolarHBondContact O-CG 3.46Å; E650-K654 PolarHBondContact O-N 3.47Å
651	E	51.2	Low	58.5	Low	79 Å²	79	59.4 Å²	59.4	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-76.2	-37.5	175.8	-81.1	-170.2	141	0	0	113	K525 D649 K654 R655	K525-E651 WeakPolarHBondContact CE-OE1 3.47Å; K525-E651 IonicContact NZ-OE1 3.65Å; K525-E651 PolarHBondContact NZ-OE1 2.99Å; D649-E651 PolarHBondContact O-N 3.34Å; E651-K654 PolarHBondContact O-N 2.95Å; E651-R655 WeakPolarHBondContact O-CG 3.25Å; E651-R655 PolarHBondContact O-N 3.26Å; E651-R655 VanDerWaalsContact O-N 3.1Å
652	A	52.3	Low	56.9	Low	14 Å²	14	64.8 Å²	64.8	12%	0.116	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-39.7	175.6	0	0	0	0	0	111.1	D649 K654 R655 L656	D649-A652 HydrophobicContact CB-CB 3.84Å; D649-A652 PolarHBondContact O-N 3.19Å; A652-K654 VanDerWaalsContact C-N 3.34Å; A652-K654 PolarHBondContact O-N 2.74Å; A652-R655 PolarHBondContact O-N 2.9Å; A652-R655 VanDerWaalsContact O-N 3.13Å; A652-L656 WeakPolarHBondContact O-CG 3.15Å; A652-L656 PolarHBondContact O-N 2.98Å
653	V	57.8	Low	56.2	Low	4 Å²	4	72.4 Å²	72.4	2%	0.024	39%	0.391	C	S	.	.	H	α-helix	trans	-61.9	-40.4	175	166.6	0	0	0	0	111.9	D649 R655 L656 T657 V680 Y776 L779 R780	D649-V653 WeakPolarHBondContact O-CG2 3.42Å; D649-V653 PolarHBondContact O-N 3.46Å; D649-V653 VanDerWaalsContact O-N 3.11Å; V653-R655 VanDerWaalsContact C-N 3.32Å; V653-R655 PolarHBondContact O-N 3.04Å; V653-L656 PolarHBondContact O-N 2.76Å; V653-T657 WeakPolarHBondContact O-CB 3.16Å; V653-T657 PolarHBondContact O-N 3.42Å; V653-T657 PolarHBondContact O-OG1 3.1Å; V653-V680 HydrophobicContact CG1-CG2 3.89Å; V653-Y776 HydrophobicContact CG1-CE2 4.04Å; V653-Y776 HydrophobicContact CG2-CE1 4.07Å; V653-Y776 HydrophobicContact CG2-CE2 4.3Å; V653-L779 HydrophobicContact CB-CD2 4.35Å; V653-L779 HydrophobicContact CG1-CD2 3.56Å; V653-L779 HydrophobicContact CG1-CG 4.42Å; V653-L779 HydrophobicContact CG2-CD2 4.21Å; V653-L779 HydrophobicContact CG2-CG 4.31Å; V653-R780 HydrophobicContact CG2-CG 4.35Å
654	K	57.6	Low	56.4	Low	116 Å²	116	68.2 Å²	68.2	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-66.4	-31.3	174.6	-82.9	175.4	-178.6	163	0	113.2	E650 E651 A652 T657 A658	E650-K654 WeakPolarHBondContact O-CG 3.46Å; E650-K654 PolarHBondContact O-N 3.47Å; E651-K654 PolarHBondContact O-N 2.95Å; A652-K654 VanDerWaalsContact C-N 3.34Å; A652-K654 PolarHBondContact O-N 2.74Å; K654-T657 WeakPolarHBondContact CA-OG1 3.12Å; K654-T657 PolarHBondContact O-OG1 2.74Å; K654-A658 PolarHBondContact O-N 2.95Å
655	R	58.9	Low	57.1	Low	173 Å²	173	76.8 Å²	76.8	65%	0.653	41%	0.41	S	S	*	.	H	α-helix	trans	-74	-39.8	175.4	-73.4	-177.5	-178.5	-178.5	2.4	111.6	E651 A652 V653 T657 A658	E651-R655 WeakPolarHBondContact O-CG 3.25Å; E651-R655 PolarHBondContact O-N 3.26Å; E651-R655 VanDerWaalsContact O-N 3.1Å; A652-R655 PolarHBondContact O-N 2.9Å; A652-R655 VanDerWaalsContact O-N 3.13Å; V653-R655 VanDerWaalsContact C-N 3.32Å; V653-R655 PolarHBondContact O-N 3.04Å; R655-T657 VanDerWaalsContact C-N 3.27Å; R655-T657 PolarHBondContact O-N 2.83Å; R655-A658 WeakPolarHBondContact O-CB 3.44Å; R655-A658 PolarHBondContact O-N 3.24Å
656	L	56.6	Low	58.3	Low	35 Å²	35	74.3 Å²	74.3	18%	0.183	40%	0.397	C	S	.	.	H	α-helix	trans	-73.8	-16.1	178.2	-68.4	168.5	0	0	0	113.9	A652 V653 L779 I793 N794	A652-L656 WeakPolarHBondContact O-CG 3.15Å; A652-L656 PolarHBondContact O-N 2.98Å; V653-L656 PolarHBondContact O-N 2.76Å; L656-L779 HydrophobicContact CB-CD1 4.13Å; L656-L779 WeakPolarHBondContact CD1-O 3.44Å; L656-I793 HydrophobicContact CD2-CG2 4.4Å; L656-N794 PolarHBondContact O-ND2 3Å
657	T	56.2	Low	60	Low	57 Å²	57	77.8 Å²	77.8	35%	0.35	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.5	173.1	49	0	0	0	0	113.2	V653 K654 R655 S659 V680 L779	V653-T657 WeakPolarHBondContact O-CB 3.16Å; V653-T657 PolarHBondContact O-N 3.42Å; V653-T657 PolarHBondContact O-OG1 3.1Å; K654-T657 WeakPolarHBondContact CA-OG1 3.12Å; K654-T657 PolarHBondContact O-OG1 2.74Å; R655-T657 VanDerWaalsContact C-N 3.27Å; R655-T657 PolarHBondContact O-N 2.83Å; T657-S659 PolarHBondContact O-N 3.06Å; T657-V680 HydrophobicContact CG2-CG2 3.86Å; T657-L779 HydrophobicContact CG2-CD2 4.1Å
658	A	55.7	Low	61.9	Low	55 Å²	55	85.1 Å²	85.1	46%	0.455	45%	0.446	S	S	.	.	S	Bend	trans	-67.3	132.6	175.8	0	0	0	0	0	109.8	K654 R655 A660	K654-A658 PolarHBondContact O-N 2.95Å; R655-A658 WeakPolarHBondContact O-CB 3.44Å; R655-A658 PolarHBondContact O-N 3.24Å; A658-A660 VanDerWaalsContact C-N 3.32Å; A658-A660 PolarHBondContact O-N 2.92Å
659	S	53.8	Low	64.1	Low	126 Å²	126	81.5 Å²	81.5	88%	0.881	43%	0.431	S	S	*	.			trans	-66.2	83.5	-178.5	53	0	0	0	0	111.9	T657	T657-S659 PolarHBondContact O-N 3.06Å
660	A	49.3	Very low	65.8	Low	36 Å²	36	78.7 Å²	78.7	30%	0.298	42%	0.417	S	S	.	.			trans	-100	110.8	156.5	0	0	0	0	0	106.3	A658 D789 P790 I791	A658-A660 VanDerWaalsContact C-N 3.32Å; A658-A660 PolarHBondContact O-N 2.92Å; A660-D789 VanDerWaalsContact O-OD1 3.1Å; A660-P790 HydrophobicContact CB-CG 4.43Å; A660-I791 WeakPolarHBondContact O-CD1 3.44Å
661	G	52.6	Low	67.6	Low	40 Å²	40	77.5 Å²	77.5	41%	0.412	41%	0.411	S	S	.	.			trans	-131.7	22.6	-179.3	0	0	0	0	0	111.7
662	T	56.2	Low	69.4	Low	138 Å²	138	77.1 Å²	77.1	85%	0.847	41%	0.411	S	S	*	.	S	Bend	trans	-115.9	-4.8	-176.3	49.9	0	0	0	0	113.6
663	K	68.4	Low	71.3	Confident	177 Å²	177	76.4 Å²	76.4	77%	0.77	41%	0.406	S	S	*	.	S	Bend	trans	-119.5	-21.4	-179.9	-64.2	-173.2	-178.1	-178	0	115.1
664	S	76.9	Confident	72.8	Confident	17 Å²	17	76.3 Å²	76.3	12%	0.119	41%	0.405	C	S	.	.			trans	-59.7	142.2	176.6	171.9	0	0	0	0	112.8	L666 D789 D792	S664-L666 PolarHBondContact OG-N 2.71Å; S664-D789 PolarHBondContact N-OD2 3.04Å; S664-D792 WeakPolarHBondContact CA-OD2 3.47Å; S664-D792 WeakPolarHBondContact CB-OD1 3.24Å; S664-D792 PolarHBondContact OG-OD1 3.46Å
665	K	83.6	Confident	74.3	Confident	206 Å²	206	75.2 Å²	75.2	90%	0.896	40%	0.4	S	S	*	.			trans	-91.9	-2.2	176.7	-64.4	177.6	-176.1	170.8	0	113.5
666	L	85.4	Confident	75.7	Confident	41 Å²	41	69.5 Å²	69.5	22%	0.215	38%	0.381	C	S	.	.	S	Bend	trans	-74.5	154	-179.1	-64.9	174.1	0	0	0	111.7	S664 V670 Q671 I791 D792 Y795	S664-L666 PolarHBondContact OG-N 2.71Å; L666-V670 HydrophobicContact CD1-CG1 4.39Å; L666-Q671 HydrophobicContact CB-CG 4.08Å; L666-Q671 PolarHBondContact O-NE2 3.48Å; L666-I791 HydrophobicContact CD1-CG2 4.42Å; L666-D792 VanDerWaalsContact CD1-OD1 3.28Å; L666-D792 WeakPolarHBondContact CD1-OD1 3.31Å; L666-D792 WeakPolarHBondContact CG-OD1 3.16Å; L666-Y795 HydrophobicContact CD1-CD1 4.09Å; L666-Y795 HydrophobicContact CD1-CD2 4.04Å; L666-Y795 HydrophobicContact CD1-CG 3.72Å; L666-Y795 HydrophobicContact CD2-CD1 4.26Å; L666-Y795 HydrophobicContact CD2-CE1 4.15Å
667	D	87.9	Confident	77.3	Confident	97 Å²	97	67.9 Å²	67.9	52%	0.519	37%	0.373	S	S	.	.			trans	-60.8	142.3	174.7	-66.5	-46.5	0	0	0	111.4	P669 V670 Q671 V804	D667-P669 VanDerWaalsContact C-CD 3.48Å; D667-P669 VanDerWaalsContact C-N 3.35Å; D667-V670 HydrophobicContact CB-CG2 4.22Å; D667-V670 WeakPolarHBondContact O-CA 3.49Å; D667-V670 WeakPolarHBondContact O-CB 3.45Å; D667-V670 PolarHBondContact O-N 3.16Å; D667-Q671 PolarHBondContact O-N 2.96Å; D667-V804 HydrophobicContact CB-CG2 3.93Å
668	K	88.7	Confident	78.7	Confident	165 Å²	165	65.4 Å²	65.4	72%	0.717	36%	0.358	S	S	*	.	H	α-helix	trans	-52.3	-43.9	-178.7	-64.5	178.8	-178.7	174.1	0	113.6	V670 Q671 D672	K668-V670 VanDerWaalsContact C-N 3.27Å; K668-V670 PolarHBondContact O-N 3.36Å; K668-Q671 PolarHBondContact O-N 3.23Å; K668-D672 PolarHBondContact O-N 2.79Å
669	P	90.7	Very high	80.1	Confident	32 Å²	32	65.6 Å²	65.6	21%	0.208	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-33.8	176.9	-24.1	36.6	0	0	0	113.3	D667 L673 V804 F838	D667-P669 VanDerWaalsContact C-CD 3.48Å; D667-P669 VanDerWaalsContact C-N 3.35Å; P669-L673 WeakPolarHBondContact O-CB 3.46Å; P669-L673 PolarHBondContact O-N 3.43Å; P669-V804 HydrophobicContact CB-CG1 4.5Å; P669-V804 HydrophobicContact CB-CG2 4Å; P669-V804 HydrophobicContact CG-CG1 4.36Å; P669-V804 HydrophobicContact CG-CG2 4.2Å; P669-F838 HydrophobicContact CB-CE1 3.76Å; P669-F838 HydrophobicContact CB-CZ 3.91Å; P669-F838 WeakPolarHBondContact O-CZ 3.49Å
670	V	90.8	Very high	81.3	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-70.9	-43.3	175.9	-179.5	0	0	0	0	110.2	L666 D667 K668 D672 L673 I674 Y795 I802 V804 F838	L666-V670 HydrophobicContact CD1-CG1 4.39Å; D667-V670 HydrophobicContact CB-CG2 4.22Å; D667-V670 WeakPolarHBondContact O-CA 3.49Å; D667-V670 WeakPolarHBondContact O-CB 3.45Å; D667-V670 PolarHBondContact O-N 3.16Å; K668-V670 VanDerWaalsContact C-N 3.27Å; K668-V670 PolarHBondContact O-N 3.36Å; V670-D672 VanDerWaalsContact C-N 3.27Å; V670-D672 PolarHBondContact O-N 3.3Å; V670-L673 WeakPolarHBondContact O-CB 3.3Å; V670-L673 PolarHBondContact O-N 3.08Å; V670-L673 VanDerWaalsContact O-N 3.17Å; V670-I674 HydrophobicContact CG1-CG1 4.48Å; V670-I674 WeakPolarHBondContact O-CG1 3.34Å; V670-I674 PolarHBondContact O-N 3.35Å; V670-Y795 HydrophobicContact CG1-CD2 4.02Å; V670-Y795 HydrophobicContact CG1-CE2 3.9Å; V670-I802 HydrophobicContact CG2-CG2 4.32Å; V670-V804 HydrophobicContact CG2-CG2 3.7Å; V670-F838 HydrophobicContact CG2-CD1 4.27Å; V670-F838 HydrophobicContact CG2-CE1 4.11Å
671	Q	88.8	Confident	82.8	Confident	17 Å²	17	66 Å²	66	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-42	175	-62.1	-178.3	22.7	0	0	111.8	L666 D667 K668 I674 K675 I791	L666-Q671 HydrophobicContact CB-CG 4.08Å; L666-Q671 PolarHBondContact O-NE2 3.48Å; D667-Q671 PolarHBondContact O-N 2.96Å; K668-Q671 PolarHBondContact O-N 3.23Å; Q671-I674 PolarHBondContact O-N 2.66Å; Q671-K675 VanDerWaalsContact O-CG 3.29Å; Q671-K675 WeakPolarHBondContact O-CG 3.49Å; Q671-K675 PolarHBondContact O-N 3.17Å; Q671-I791 HydrophobicContact CB-CD1 4.33Å; Q671-I791 HydrophobicContact CB-CG2 4.31Å; Q671-I791 HydrophobicContact CG-CG2 4.25Å
672	D	90.1	Very high	84.2	Confident	71 Å²	71	66.3 Å²	66.3	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-34.1	178.8	-69.1	-15.5	0	0	0	112.3	K668 V670 K675 M676	K668-D672 PolarHBondContact O-N 2.79Å; V670-D672 VanDerWaalsContact C-N 3.27Å; V670-D672 PolarHBondContact O-N 3.3Å; D672-K675 IonicContact OD1-NZ 3.16Å; D672-K675 PolarHBondContact OD1-NZ 2.83Å; D672-K675 VanDerWaalsContact OD1-NZ 3.14Å; D672-M676 WeakPolarHBondContact O-CB 3.11Å; D672-M676 PolarHBondContact O-N 2.9Å
673	L	91.1	Very high	85.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-47.6	171	176.2	65.9	0	0	0	111.3	P669 V670 K675 M676 I677 I802 F838 L919 L1003	P669-L673 WeakPolarHBondContact O-CB 3.46Å; P669-L673 PolarHBondContact O-N 3.43Å; V670-L673 WeakPolarHBondContact O-CB 3.3Å; V670-L673 PolarHBondContact O-N 3.08Å; V670-L673 VanDerWaalsContact O-N 3.17Å; L673-K675 PolarHBondContact O-N 2.84Å; L673-M676 WeakPolarHBondContact O-CB 3.4Å; L673-M676 PolarHBondContact O-N 2.94Å; L673-I677 HydrophobicContact CD1-CG2 4.19Å; L673-I677 WeakPolarHBondContact O-CG1 3.4Å; L673-I677 PolarHBondContact O-N 3.31Å; L673-I802 HydrophobicContact CD2-CD1 4.01Å; L673-I802 HydrophobicContact CD2-CG2 4.22Å; L673-F838 HydrophobicContact CB-CE2 4.49Å; L673-F838 HydrophobicContact CB-CZ 4.17Å; L673-F838 HydrophobicContact CD2-CD1 4.44Å; L673-F838 HydrophobicContact CD2-CD2 4.2Å; L673-F838 HydrophobicContact CD2-CE1 4.47Å; L673-F838 HydrophobicContact CD2-CE2 4.25Å; L673-F838 HydrophobicContact CD2-CG 4.3Å; L673-F838 HydrophobicContact CD2-CZ 4.39Å; L673-L919 HydrophobicContact CD1-CD1 3.79Å; L673-L919 HydrophobicContact CD1-CD2 3.74Å; L673-L919 HydrophobicContact CD1-CG 4.44Å; L673-L1003 HydrophobicContact CD1-CD2 4.01Å; L673-L1003 HydrophobicContact CD2-CD2 3.79Å
674	I	90.2	Very high	85.9	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-43.3	179	-62.6	-57.6	0	0	0	111.1	V670 Q671 M676 I677 F678 I791 N794 Y795 L798	V670-I674 HydrophobicContact CG1-CG1 4.48Å; V670-I674 WeakPolarHBondContact O-CG1 3.34Å; V670-I674 PolarHBondContact O-N 3.35Å; Q671-I674 PolarHBondContact O-N 2.66Å; I674-M676 VanDerWaalsContact C-N 3.29Å; I674-M676 PolarHBondContact O-N 3.18Å; I674-I677 HydrophobicContact CD1-CD1 4.07Å; I674-I677 PolarHBondContact O-N 3.17Å; I674-F678 HydrophobicContact CG2-CD2 3.93Å; I674-F678 HydrophobicContact CG2-CE2 4.46Å; I674-F678 WeakPolarHBondContact O-CB 3.49Å; I674-F678 PolarHBondContact O-N 3.09Å; I674-I791 HydrophobicContact CB-CG2 4.11Å; I674-I791 HydrophobicContact CG1-CG2 4.49Å; I674-I791 HydrophobicContact CG2-CG2 4.01Å; I674-N794 HydrophobicContact CG2-CB 3.9Å; I674-Y795 HydrophobicContact CD1-CD2 4.01Å; I674-Y795 HydrophobicContact CG1-CD2 4.25Å; I674-L798 HydrophobicContact CD1-CD1 3.36Å
675	K	87.8	Confident	86.2	Confident	92 Å²	92	60.4 Å²	60.4	40%	0.4	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-40.2	174.6	-71	169.6	-159.8	156.1	0	112.1	Q671 D672 L673 D679 I791	Q671-K675 VanDerWaalsContact O-CG 3.29Å; Q671-K675 WeakPolarHBondContact O-CG 3.49Å; Q671-K675 PolarHBondContact O-N 3.17Å; D672-K675 IonicContact OD1-NZ 3.16Å; D672-K675 PolarHBondContact OD1-NZ 2.83Å; D672-K675 VanDerWaalsContact OD1-NZ 3.14Å; L673-K675 PolarHBondContact O-N 2.84Å; K675-D679 WeakPolarHBondContact O-CB 3.32Å; K675-D679 PolarHBondContact O-N 2.9Å; K675-I791 HydrophobicContact CG-CD1 4.47Å
676	M	89.1	Confident	86	Confident	53 Å²	53	51.1 Å²	51.1	26%	0.261	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-47.2	-179.6	-179.4	-179.6	-69.6	0	0	112.3	D672 L673 I674 V917 L919 K1005	D672-M676 WeakPolarHBondContact O-CB 3.11Å; D672-M676 PolarHBondContact O-N 2.9Å; L673-M676 WeakPolarHBondContact O-CB 3.4Å; L673-M676 PolarHBondContact O-N 2.94Å; I674-M676 VanDerWaalsContact C-N 3.29Å; I674-M676 PolarHBondContact O-N 3.18Å; M676-V917 HydrophobicContact CE-CB 4.23Å; M676-V917 HydrophobicContact CE-CG1 3.65Å; M676-V917 HydrophobicContact SD-CG1 4.36Å; M676-L919 HydrophobicContact SD-CD1 4.34Å; M676-L919 HydrophobicContact SD-CD2 4.23Å; M676-L919 HydrophobicContact SD-CG 4.16Å; M676-K1005 HydrophobicContact CE-CD 4.32Å
677	I	89.7	Confident	85.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-78.5	-23.7	-175.4	67.2	-179.3	0	0	0	113.4	L673 I674 M683 L798 L874 L919	L673-I677 HydrophobicContact CD1-CG2 4.19Å; L673-I677 WeakPolarHBondContact O-CG1 3.4Å; L673-I677 PolarHBondContact O-N 3.31Å; I674-I677 HydrophobicContact CD1-CD1 4.07Å; I674-I677 PolarHBondContact O-N 3.17Å; I677-M683 WeakPolarHBondContact O-CE 3.26Å; I677-L798 HydrophobicContact CD1-CD1 3.85Å; I677-L798 HydrophobicContact CD1-CD2 4.36Å; I677-L874 HydrophobicContact CD1-CD1 4Å; I677-L919 HydrophobicContact CG2-CD1 3.56Å
678	F	85.8	Confident	85.2	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	17.2	175.9	-73.9	-75.3	0	0	0	113.4	I674 V680 L778 L779 N794 L798 A871	I674-F678 HydrophobicContact CG2-CD2 3.93Å; I674-F678 HydrophobicContact CG2-CE2 4.46Å; I674-F678 WeakPolarHBondContact O-CB 3.49Å; I674-F678 PolarHBondContact O-N 3.09Å; F678-V680 PolarHBondContact O-N 2.82Å; F678-V680 VanDerWaalsContact O-N 3.15Å; F678-L778 HydrophobicContact CE1-CB 4.48Å; F678-L779 HydrophobicContact CD1-CD1 4.05Å; F678-N794 HydrophobicContact CD2-CB 4.08Å; F678-N794 HydrophobicContact CE2-CB 4.05Å; F678-L798 HydrophobicContact CE2-CD1 4.26Å; F678-L798 HydrophobicContact CE2-CD2 3.74Å; F678-L798 HydrophobicContact CE2-CG 4.04Å; F678-L798 HydrophobicContact CZ-CD2 3.66Å; F678-L798 HydrophobicContact CZ-CG 4.27Å; F678-A871 HydrophobicContact CE1-CB 4.13Å; F678-A871 HydrophobicContact CZ-CB 4.22Å
679	D	84.5	Confident	84.8	Confident	58 Å²	58	47.2 Å²	47.2	31%	0.31	24%	0.238	S	C	.	.			trans	-74.3	106.7	175.4	-179.4	20.8	0	0	0	112	K675 E681 S682 M683	K675-D679 WeakPolarHBondContact O-CB 3.32Å; K675-D679 PolarHBondContact O-N 2.9Å; D679-E681 VanDerWaalsContact C-N 3.27Å; D679-E681 PolarHBondContact O-N 2.99Å; D679-E681 PolarHBondContact OD1-N 2.84Å; D679-S682 PolarHBondContact O-N 3.38Å; D679-S682 VanDerWaalsContact OD2-CB 3.26Å; D679-S682 WeakPolarHBondContact OD2-CB 3.41Å; D679-S682 PolarHBondContact OD2-N 2.96Å; D679-S682 VanDerWaalsContact OD2-N 3.14Å; D679-S682 PolarHBondContact OD2-OG 3.4Å; D679-M683 WeakPolarHBondContact O-CG 3.43Å; D679-M683 PolarHBondContact O-N 2.89Å; D679-M683 VanDerWaalsContact O-N 3.09Å
680	V	79.9	Confident	84.2	Confident	21 Å²	21	46.8 Å²	46.8	13%	0.127	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-30.8	178.1	173.6	0	0	0	0	112.1	V653 T657 F678 K684 L699 L779	V653-V680 HydrophobicContact CG1-CG2 3.89Å; T657-V680 HydrophobicContact CG2-CG2 3.86Å; F678-V680 PolarHBondContact O-N 2.82Å; F678-V680 VanDerWaalsContact O-N 3.15Å; V680-K684 WeakPolarHBondContact O-CG 3.27Å; V680-K684 PolarHBondContact O-N 2.8Å; V680-L699 HydrophobicContact CG1-CD1 3.57Å; V680-L779 HydrophobicContact CG2-CD2 3.95Å
681	E	81.3	Confident	83.7	Confident	151 Å²	151	50.6 Å²	50.6	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-72.7	-42	179.7	-169.4	163	-169.2	0	0	111.4	D679 M683 K684 K685	D679-E681 VanDerWaalsContact C-N 3.27Å; D679-E681 PolarHBondContact O-N 2.99Å; D679-E681 PolarHBondContact OD1-N 2.84Å; E681-M683 PolarHBondContact O-N 3.38Å; E681-K684 WeakPolarHBondContact O-CB 3.33Å; E681-K684 PolarHBondContact O-N 2.66Å; E681-K685 PolarHBondContact O-N 3.31Å
682	S	81.1	Confident	83.2	Confident	46 Å²	46	50.1 Å²	50.1	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-42	171	-66.7	0	0	0	0	112.4	D679 K684 K685 A686	D679-S682 PolarHBondContact O-N 3.38Å; D679-S682 VanDerWaalsContact OD2-CB 3.26Å; D679-S682 WeakPolarHBondContact OD2-CB 3.41Å; D679-S682 PolarHBondContact OD2-N 2.96Å; D679-S682 VanDerWaalsContact OD2-N 3.14Å; D679-S682 PolarHBondContact OD2-OG 3.4Å; S682-K684 VanDerWaalsContact C-N 3.35Å; S682-K684 PolarHBondContact O-N 3Å; S682-K685 PolarHBondContact O-N 3.28Å; S682-A686 PolarHBondContact O-N 3.13Å
683	M	80.8	Confident	82.1	Confident	2 Å²	2	47 Å²	47	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-41	173.7	-67.3	175.5	-168.5	0	0	112.4	I677 D679 E681 A686 M687 L699 I772 A775 T868	I677-M683 WeakPolarHBondContact O-CE 3.26Å; D679-M683 WeakPolarHBondContact O-CG 3.43Å; D679-M683 PolarHBondContact O-N 2.89Å; D679-M683 VanDerWaalsContact O-N 3.09Å; E681-M683 PolarHBondContact O-N 3.38Å; M683-A686 PolarHBondContact O-N 2.67Å; M683-M687 WeakPolarHBondContact O-CG 3.26Å; M683-M687 PolarHBondContact O-N 2.98Å; M683-L699 HydrophobicContact CB-CD2 4.24Å; M683-I772 HydrophobicContact CB-CG2 4.43Å; M683-I772 HydrophobicContact SD-CG2 4.49Å; M683-A775 HydrophobicContact CE-CB 3.86Å; M683-A775 HydrophobicContact SD-CB 4.44Å; M683-T868 HydrophobicContact CB-CG2 4.5Å; M683-T868 HydrophobicContact CG-CG2 3.94Å
684	K	80.1	Confident	80.8	Confident	88 Å²	88	49.4 Å²	49.4	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-45.7	174.2	-73.9	177.8	-175	178.7	0	111.6	V680 E681 S682 A686 M687 V688 L694 L699	V680-K684 WeakPolarHBondContact O-CG 3.27Å; V680-K684 PolarHBondContact O-N 2.8Å; E681-K684 WeakPolarHBondContact O-CB 3.33Å; E681-K684 PolarHBondContact O-N 2.66Å; S682-K684 VanDerWaalsContact C-N 3.35Å; S682-K684 PolarHBondContact O-N 3Å; K684-A686 VanDerWaalsContact C-N 3.29Å; K684-A686 PolarHBondContact O-N 3.33Å; K684-M687 PolarHBondContact O-N 3.35Å; K684-M687 VanDerWaalsContact O-N 3.13Å; K684-V688 PolarHBondContact O-N 2.83Å; K684-V688 VanDerWaalsContact O-N 3.09Å; K684-L694 HydrophobicContact CB-CD1 3.76Å; K684-L694 HydrophobicContact CG-CD1 4.18Å; K684-L694 HydrophobicContact CG-CD2 4.44Å; K684-L699 HydrophobicContact CD-CD1 4.19Å; K684-L699 VanDerWaalsContact CE-CD1 3.49Å; K684-L699 HydrophobicContact CG-CD1 3.55Å; K684-L699 HydrophobicContact CG-CG 4.19Å
685	K	82.2	Confident	79.5	Confident	118 Å²	118	56.6 Å²	56.6	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-42.9	179.5	-173	-176.3	174.8	-168.7	0	111.2	E681 S682 M687 V688 E689 S914	E681-K685 PolarHBondContact O-N 3.31Å; S682-K685 PolarHBondContact O-N 3.28Å; K685-M687 VanDerWaalsContact C-N 3.34Å; K685-M687 PolarHBondContact O-N 3.34Å; K685-V688 PolarHBondContact O-N 2.87Å; K685-E689 PolarHBondContact O-N 3.11Å; K685-S914 PolarHBondContact NZ-OG 3.45Å
686	A	81.1	Confident	78.3	Confident	11 Å²	11	54.1 Å²	54.1	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-40.2	175.5	0	0	0	0	0	112.4	S682 M683 K684 E689 F690 T868	S682-A686 PolarHBondContact O-N 3.13Å; M683-A686 PolarHBondContact O-N 2.67Å; K684-A686 VanDerWaalsContact C-N 3.29Å; K684-A686 PolarHBondContact O-N 3.33Å; A686-E689 WeakPolarHBondContact O-CB 3.48Å; A686-E689 PolarHBondContact O-N 3.17Å; A686-F690 WeakPolarHBondContact O-CD2 3.32Å; A686-F690 PolarHBondContact O-N 2.76Å; A686-T868 HydrophobicContact CB-CG2 4.25Å
687	M	75.7	Confident	76.9	Confident	12 Å²	12	52.6 Å²	52.6	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-37.3	176	-69.3	178.2	73.2	0	0	113.1	M683 K684 K685 E689 F690 I692 L694 L699 L769 I772	M683-M687 WeakPolarHBondContact O-CG 3.26Å; M683-M687 PolarHBondContact O-N 2.98Å; K684-M687 PolarHBondContact O-N 3.35Å; K684-M687 VanDerWaalsContact O-N 3.13Å; K685-M687 VanDerWaalsContact C-N 3.34Å; K685-M687 PolarHBondContact O-N 3.34Å; M687-E689 VanDerWaalsContact C-N 3.29Å; M687-E689 PolarHBondContact O-N 3.15Å; M687-F690 PolarHBondContact O-N 3.22Å; M687-F690 VanDerWaalsContact O-N 3.17Å; M687-I692 HydrophobicContact CB-CB 4.42Å; M687-I692 HydrophobicContact CE-CG2 3.68Å; M687-I692 WeakPolarHBondContact O-CB 3.4Å; M687-I692 PolarHBondContact O-N 3.21Å; M687-L694 HydrophobicContact CB-CD2 3.73Å; M687-L694 HydrophobicContact CE-CD2 3.96Å; M687-L694 HydrophobicContact CG-CD2 4.37Å; M687-L694 HydrophobicContact SD-CD2 3.78Å; M687-L699 HydrophobicContact SD-CD2 3.31Å; M687-L699 WeakPolarHBondContact SD-CD2 3.25Å; M687-L699 HydrophobicContact SD-CG 4.12Å; M687-L769 HydrophobicContact CE-CD2 3.87Å; M687-L769 HydrophobicContact CG-CD2 4.17Å; M687-L769 HydrophobicContact SD-CD2 4.48Å; M687-I772 HydrophobicContact CG-CD1 4.01Å; M687-I772 HydrophobicContact SD-CG2 4.48Å
688	V	80.3	Confident	75.2	Confident	85 Å²	85	54 Å²	54	52%	0.515	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-37.7	176.1	176.8	0	0	0	0	111.3	K684 K685 F690 E691 L694	K684-V688 PolarHBondContact O-N 2.83Å; K684-V688 VanDerWaalsContact O-N 3.09Å; K685-V688 PolarHBondContact O-N 2.87Å; V688-F690 PolarHBondContact O-N 3.25Å; V688-E691 PolarHBondContact O-N 2.91Å; V688-L694 HydrophobicContact CG2-CD1 3.36Å; V688-L694 HydrophobicContact CG2-CG 3.94Å
689	E	80.3	Confident	73.5	Confident	124 Å²	124	54 Å²	54	58%	0.579	27%	0.269	S	S	*	.	H	α-helix	trans	-57.5	-34.2	175.8	-166	-170.1	162.3	0	0	112	K685 A686 M687 E691 R866	K685-E689 PolarHBondContact O-N 3.11Å; A686-E689 WeakPolarHBondContact O-CB 3.48Å; A686-E689 PolarHBondContact O-N 3.17Å; M687-E689 VanDerWaalsContact C-N 3.29Å; M687-E689 PolarHBondContact O-N 3.15Å; E689-E691 PolarHBondContact O-N 3.36Å; E689-R866 IonicContact OE1-NH1 3.88Å; E689-R866 IonicContact OE1-NH2 3.1Å; E689-R866 IonicContact OE2-CZ 4Å; E689-R866 IonicContact OE2-NH1 3.14Å; E689-R866 PolarHBondContact OE2-NH1 3.02Å
690	F	76.9	Confident	71.9	Confident	23 Å²	23	51.8 Å²	51.8	10%	0.101	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.5	177.1	-66.1	-58.9	0	0	0	114.9	A686 M687 V688 I692 M765 N768	A686-F690 WeakPolarHBondContact O-CD2 3.32Å; A686-F690 PolarHBondContact O-N 2.76Å; M687-F690 PolarHBondContact O-N 3.22Å; M687-F690 VanDerWaalsContact O-N 3.17Å; V688-F690 PolarHBondContact O-N 3.25Å; F690-I692 VanDerWaalsContact C-N 3.29Å; F690-I692 HydrophobicContact CB-CD1 3.82Å; F690-I692 HydrophobicContact CB-CG1 3.94Å; F690-I692 PolarHBondContact O-N 3.16Å; F690-M765 HydrophobicContact CB-CB 4.5Å; F690-M765 HydrophobicContact CB-CG 3.7Å; F690-M765 HydrophobicContact CB-SD 4.04Å; F690-M765 HydrophobicContact CD1-CB 3.77Å; F690-M765 HydrophobicContact CD1-CG 3.9Å; F690-M765 HydrophobicContact CD2-CG 4.31Å; F690-M765 HydrophobicContact CE1-CB 4.16Å; F690-M765 HydrophobicContact CG-CB 4.11Å; F690-M765 HydrophobicContact CG-CG 3.72Å; F690-N768 HydrophobicContact CE2-CB 3.88Å; F690-N768 HydrophobicContact CZ-CB 4.17Å; F690-N768 VanDerWaalsContact CZ-ND2 3.32Å; F690-N768 WeakPolarHBondContact CZ-ND2 3.46Å
691	E	80.3	Confident	71.1	Confident	82 Å²	82	51.6 Å²	51.6	38%	0.383	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	34.6	-177.7	-48.9	173.6	134.1	0	0	112.5	V688 E689 H743 D744 K762	V688-E691 PolarHBondContact O-N 2.91Å; E689-E691 PolarHBondContact O-N 3.36Å; E691-H743 CarbonylContact O-C 3.54Å; E691-H743 WeakPolarHBondContact O-CA 3.44Å; E691-D744 PolarHBondContact O-N 3.26Å; E691-K762 IonicContact OE2-NZ 2.76Å
692	I	78.3	Confident	70.4	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.036	23%	0.232	C	C	.	.			trans	-97.5	127.6	-178.8	-63.2	178.4	0	0	0	109.5	M687 F690 L694 M697 M765 L769	M687-I692 HydrophobicContact CB-CB 4.42Å; M687-I692 HydrophobicContact CE-CG2 3.68Å; M687-I692 WeakPolarHBondContact O-CB 3.4Å; M687-I692 PolarHBondContact O-N 3.21Å; F690-I692 VanDerWaalsContact C-N 3.29Å; F690-I692 HydrophobicContact CB-CD1 3.82Å; F690-I692 HydrophobicContact CB-CG1 3.94Å; F690-I692 PolarHBondContact O-N 3.16Å; I692-L694 PolarHBondContact O-N 3.41Å; I692-M697 HydrophobicContact CB-CE 4.18Å; I692-M697 HydrophobicContact CG2-CE 3.24Å; I692-M697 HydrophobicContact CG2-SD 4.2Å; I692-M765 HydrophobicContact CD1-CG 3.98Å; I692-M765 HydrophobicContact CD1-SD 3.95Å; I692-M765 HydrophobicContact CG1-SD 4.22Å; I692-L769 HydrophobicContact CD1-CD1 3.61Å; I692-L769 HydrophobicContact CD1-CD2 3.61Å; I692-L769 HydrophobicContact CD1-CG 3.88Å
693	D	68.2	Low	70	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.032	23%	0.227	C	C	.	.			trans	-72.5	97.4	179.6	-178.5	-5.4	0	0	0	111.9	V593 G594 Q695 K696 M697 D744	V593-D693 HydrophobicContact CG1-CB 3.64Å; V593-D693 WeakPolarHBondContact CG1-OD2 3.17Å; G594-D693 WeakPolarHBondContact CA-OD2 3.4Å; G594-D693 PolarHBondContact N-OD2 2.61Å; D693-Q695 VanDerWaalsContact C-N 3.25Å; D693-Q695 PolarHBondContact O-N 2.8Å; D693-Q695 WeakPolarHBondContact OD1-CA 3.34Å; D693-Q695 VanDerWaalsContact OD1-CB 3.32Å; D693-Q695 WeakPolarHBondContact OD1-CB 3.39Å; D693-Q695 PolarHBondContact OD1-N 2.82Å; D693-K696 PolarHBondContact O-N 2.76Å; D693-K696 PolarHBondContact OD1-N 2.82Å; D693-K696 VanDerWaalsContact OD1-N 3.17Å; D693-K696 WeakPolarHBondContact OD2-CB 3.38Å; D693-K696 WeakPolarHBondContact OD2-CG 3.04Å; D693-M697 HydrophobicContact CB-CE 3.97Å; D693-M697 WeakPolarHBondContact O-CA 3.13Å; D693-M697 VanDerWaalsContact O-CB 3.27Å; D693-M697 WeakPolarHBondContact O-CB 3.32Å; D693-M697 WeakPolarHBondContact O-CE 3.49Å; D693-M697 PolarHBondContact O-N 2.97Å; D693-D744 HydrophobicContact CB-CB 4.38Å
694	L	64.4	Low	69.8	Low	49 Å²	49	50.8 Å²	50.8	26%	0.257	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.2	175.8	-71.4	-177.5	0	0	0	114.8	K684 M687 V688 I692 M697	K684-L694 HydrophobicContact CB-CD1 3.76Å; K684-L694 HydrophobicContact CG-CD1 4.18Å; K684-L694 HydrophobicContact CG-CD2 4.44Å; M687-L694 HydrophobicContact CB-CD2 3.73Å; M687-L694 HydrophobicContact CE-CD2 3.96Å; M687-L694 HydrophobicContact CG-CD2 4.37Å; M687-L694 HydrophobicContact SD-CD2 3.78Å; V688-L694 HydrophobicContact CG2-CD1 3.36Å; V688-L694 HydrophobicContact CG2-CG 3.94Å; I692-L694 PolarHBondContact O-N 3.41Å; L694-M697 CarbonylContact O-C 3.53Å
695	Q	62.9	Low	69.9	Low	153 Å²	153	55 Å²	55	72%	0.715	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-41.3	-179	-62.8	-171.3	-10.2	0	0	110.9	D693	D693-Q695 VanDerWaalsContact C-N 3.25Å; D693-Q695 PolarHBondContact O-N 2.8Å; D693-Q695 WeakPolarHBondContact OD1-CA 3.34Å; D693-Q695 VanDerWaalsContact OD1-CB 3.32Å; D693-Q695 WeakPolarHBondContact OD1-CB 3.39Å; D693-Q695 PolarHBondContact OD1-N 2.82Å
696	K	61.1	Low	70	Confident	40 Å²	40	49.8 Å²	49.8	17%	0.174	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-17.9	-179.8	-56.8	-62.9	165.2	179.9	0	112.6	Y570 D693	Y570-K696 HydrophobicContact CD1-CD 4.34Å; Y570-K696 HydrophobicContact CD1-CG 4.2Å; Y570-K696 HydrophobicContact CD2-CD 4.06Å; Y570-K696 HydrophobicContact CE1-CD 4.06Å; Y570-K696 HydrophobicContact CE1-CG 4.2Å; Y570-K696 HydrophobicContact CE2-CD 3.78Å; Y570-K696 HydrophobicContact CG-CD 4.35Å; Y570-K696 HydrophobicContact CG-CG 4.43Å; Y570-K696 WeakPolarHBondContact OH-CE 2.98Å; Y570-K696 PolarHBondContact OH-NZ 3.26Å; D693-K696 PolarHBondContact O-N 2.76Å; D693-K696 PolarHBondContact OD1-N 2.82Å; D693-K696 VanDerWaalsContact OD1-N 3.17Å; D693-K696 WeakPolarHBondContact OD2-CB 3.38Å; D693-K696 WeakPolarHBondContact OD2-CG 3.04Å
697	M	61.1	Low	70.2	Confident	22 Å²	22	49.3 Å²	49.3	11%	0.108	24%	0.238	C	C	.	.	S	Bend	trans	-122.2	86.4	171.8	-57.6	177.9	-75.4	0	0	111.1	I692 D693 L694 P742	I692-M697 HydrophobicContact CB-CE 4.18Å; I692-M697 HydrophobicContact CG2-CE 3.24Å; I692-M697 HydrophobicContact CG2-SD 4.2Å; D693-M697 HydrophobicContact CB-CE 3.97Å; D693-M697 WeakPolarHBondContact O-CA 3.13Å; D693-M697 VanDerWaalsContact O-CB 3.27Å; D693-M697 WeakPolarHBondContact O-CB 3.32Å; D693-M697 WeakPolarHBondContact O-CE 3.49Å; D693-M697 PolarHBondContact O-N 2.97Å; L694-M697 CarbonylContact O-C 3.53Å; M697-P742 HydrophobicContact CE-CB 3.88Å; M697-P742 HydrophobicContact CE-CG 4.46Å; M697-P742 WeakPolarHBondContact CE-O 3.21Å; M697-P742 HydrophobicContact CG-CG 4.31Å; M697-P742 HydrophobicContact SD-CB 3.82Å; M697-P742 VanDerWaalsContact SD-CD 3.55Å; M697-P742 HydrophobicContact SD-CG 3.74Å
698	P	52.9	Low	70.7	Confident	30 Å²	30	51.8 Å²	51.8	20%	0.195	25%	0.249	C	C	.	.			trans	-64	149.4	169.9	-13.1	26.4	0	0	0	110.9	K701	P698-K701 HydrophobicContact CB-CD 3.97Å; P698-K701 HydrophobicContact CB-CG 4.42Å; P698-K701 HydrophobicContact CG-CD 3.91Å
699	L	50.4	Low	71.1	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	136.4	177.7	-76.2	161.3	0	0	0	113.3	V680 M683 K684 M687 I772 Y776	V680-L699 HydrophobicContact CG1-CD1 3.57Å; M683-L699 HydrophobicContact CB-CD2 4.24Å; K684-L699 HydrophobicContact CD-CD1 4.19Å; K684-L699 VanDerWaalsContact CE-CD1 3.49Å; K684-L699 HydrophobicContact CG-CD1 3.55Å; K684-L699 HydrophobicContact CG-CG 4.19Å; M687-L699 HydrophobicContact SD-CD2 3.31Å; M687-L699 WeakPolarHBondContact SD-CD2 3.25Å; M687-L699 HydrophobicContact SD-CG 4.12Å; L699-I772 HydrophobicContact CD2-CG2 3.59Å; L699-Y776 HydrophobicContact CB-CD2 3.85Å; L699-Y776 HydrophobicContact CB-CE2 3.62Å; L699-Y776 HydrophobicContact CD1-CE2 4.14Å
700	G	51.1	Low	71.6	Confident	11 Å²	11	44.8 Å²	44.8	11%	0.113	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	18.9	171.7	0	0	0	0	0	115.5	R780	G700-R780 PolarHBondContact O-NH1 3.25Å; G700-R780 PolarHBondContact O-NH2 3.4Å
701	K	62.3	Low	72.2	Confident	16 Å²	16	43.7 Å²	43.7	7%	0.07	21%	0.213	C	C	.	.			trans	-107.8	3.2	-178.1	-57.1	-163.6	174.9	172.7	0	114.6	I644 D645 P698	I644-K701 CarbonylContact C-O 3.53Å; I644-K701 VanDerWaalsContact CA-O 3.25Å; I644-K701 WeakPolarHBondContact CA-O 3.33Å; I644-K701 HydrophobicContact CG2-CB 3.58Å; I644-K701 HydrophobicContact CG2-CD 4.04Å; I644-K701 HydrophobicContact CG2-CG 4.43Å; D645-K701 PolarHBondContact N-O 3.04Å; D645-K701 WeakPolarHBondContact O-CA 3.4Å; D645-K701 WeakPolarHBondContact O-CB 3.48Å; D645-K701 WeakPolarHBondContact O-CG 3.4Å; P698-K701 HydrophobicContact CB-CD 3.97Å; P698-K701 HydrophobicContact CB-CG 4.42Å; P698-K701 HydrophobicContact CG-CD 3.91Å
702	L	67.1	Low	72.7	Confident	36 Å²	36	41.5 Å²	41.5	19%	0.188	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-90.4	123.8	178	-155.5	76.8	0	0	0	109.3	Q706 I707 I741	L702-Q706 HydrophobicContact CD1-CG 4.21Å; L702-Q706 HydrophobicContact CG-CB 4.45Å; L702-Q706 HydrophobicContact CG-CG 4.43Å; L702-I707 HydrophobicContact CD2-CD1 3.92Å; L702-I707 HydrophobicContact CD2-CG1 3.32Å; L702-I707 HydrophobicContact CG-CG1 4.07Å; L702-I741 HydrophobicContact CD1-CD1 4.45Å; L702-I741 HydrophobicContact CD2-CD1 3.76Å
703	S	72.9	Confident	73.3	Confident	29 Å²	29	41.4 Å²	41.4	20%	0.203	21%	0.208	C	C	.	.			trans	-62.1	136	175.2	169.5	0	0	0	0	110.7	E643 R705 Q706 I707	E643-S703 PolarHBondContact O-N 2.97Å; E643-S703 PolarHBondContact OE2-OG 2.95Å; S703-R705 PolarHBondContact O-N 2.68Å; S703-R705 VanDerWaalsContact O-N 3.12Å; S703-R705 WeakPolarHBondContact OG-CB 3.47Å; S703-R705 PolarHBondContact OG-N 2.79Å; S703-Q706 WeakPolarHBondContact O-CA 3.44Å; S703-Q706 WeakPolarHBondContact O-CB 3.32Å; S703-Q706 PolarHBondContact O-N 2.91Å; S703-I707 PolarHBondContact O-N 3.32Å; S703-I707 VanDerWaalsContact O-N 3.13Å
704	K	77.1	Confident	74.4	Confident	118 Å²	118	41.1 Å²	41.1	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-52	-34.2	170.8	-175.7	176.9	179.5	178.9	0	111.9	Q706 I707 Q708 L770	K704-Q706 VanDerWaalsContact C-N 3.35Å; K704-I707 PolarHBondContact O-N 3.49Å; K704-Q708 VanDerWaalsContact O-CG 3.32Å; K704-Q708 WeakPolarHBondContact O-CG 3.14Å; K704-Q708 PolarHBondContact O-N 3.02Å; K704-L770 HydrophobicContact CG-CD1 4.28Å
705	R	82.4	Confident	75.6	Confident	177 Å²	177	41 Å²	41	67%	0.668	21%	0.207	S	C	*	.	H	α-helix	trans	-65.5	-37.6	176.4	-61.9	-179.3	178.4	168.9	0.1	112.3	S703 Q708 S709	S703-R705 PolarHBondContact O-N 2.68Å; S703-R705 VanDerWaalsContact O-N 3.12Å; S703-R705 WeakPolarHBondContact OG-CB 3.47Å; S703-R705 PolarHBondContact OG-N 2.79Å; R705-Q708 PolarHBondContact O-N 3.5Å; R705-S709 WeakPolarHBondContact O-CB 3.47Å; R705-S709 PolarHBondContact O-N 3.45Å; R705-S709 PolarHBondContact O-OG 3.47Å
706	Q	83.9	Confident	76.9	Confident	8 Å²	8	37.5 Å²	37.5	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-40	177.1	-173.7	168.9	-5.1	0	0	111	E643 L702 S703 K704 S709 A710 L740	E643-Q706 PolarHBondContact O-OE1 3.23Å; E643-Q706 VanDerWaalsContact O-OE1 3.04Å; L702-Q706 HydrophobicContact CD1-CG 4.21Å; L702-Q706 HydrophobicContact CG-CB 4.45Å; L702-Q706 HydrophobicContact CG-CG 4.43Å; S703-Q706 WeakPolarHBondContact O-CA 3.44Å; S703-Q706 WeakPolarHBondContact O-CB 3.32Å; S703-Q706 PolarHBondContact O-N 2.91Å; K704-Q706 VanDerWaalsContact C-N 3.35Å; Q706-S709 PolarHBondContact O-N 3.06Å; Q706-A710 WeakPolarHBondContact O-CB 3.33Å; Q706-A710 PolarHBondContact O-N 2.86Å; Q706-L740 PolarHBondContact NE2-O 3.44Å
707	I	85.1	Confident	78.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-46.8	172.9	-61.7	173.7	0	0	0	110.7	L702 S703 K704 S709 A710 Y711 L770	L702-I707 HydrophobicContact CD2-CD1 3.92Å; L702-I707 HydrophobicContact CD2-CG1 3.32Å; L702-I707 HydrophobicContact CG-CG1 4.07Å; S703-I707 PolarHBondContact O-N 3.32Å; S703-I707 VanDerWaalsContact O-N 3.13Å; K704-I707 PolarHBondContact O-N 3.49Å; I707-S709 VanDerWaalsContact C-N 3.31Å; I707-S709 PolarHBondContact O-N 3.28Å; I707-A710 WeakPolarHBondContact O-CB 3.26Å; I707-A710 PolarHBondContact O-N 3.2Å; I707-A710 VanDerWaalsContact O-N 3.09Å; I707-Y711 HydrophobicContact CG2-CD2 3.86Å; I707-Y711 HydrophobicContact CG2-CE2 3.45Å; I707-Y711 VanDerWaalsContact CG2-CE2 3.45Å; I707-Y711 VanDerWaalsContact O-CD2 3.24Å; I707-Y711 WeakPolarHBondContact O-CD2 3.42Å; I707-Y711 PolarHBondContact O-N 3.17Å; I707-L770 HydrophobicContact CD1-CB 4.42Å; I707-L770 HydrophobicContact CD1-CD1 3.99Å; I707-L770 HydrophobicContact CG2-CD1 4.49Å
708	Q	86.6	Confident	79.5	Confident	64 Å²	64	36 Å²	36	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-59.3	-40.9	175.9	-73.9	175	-42.2	0	0	112.5	K704 R705 A710 Y711 A712	K704-Q708 VanDerWaalsContact O-CG 3.32Å; K704-Q708 WeakPolarHBondContact O-CG 3.14Å; K704-Q708 PolarHBondContact O-N 3.02Å; R705-Q708 PolarHBondContact O-N 3.5Å; Q708-A710 VanDerWaalsContact C-N 3.33Å; Q708-A710 PolarHBondContact O-N 3.36Å; Q708-Y711 WeakPolarHBondContact O-CB 3.33Å; Q708-Y711 PolarHBondContact O-N 3.08Å; Q708-A712 PolarHBondContact O-N 3.08Å
709	S	88	Confident	81.2	Confident	61 Å²	61	40.1 Å²	40.1	43%	0.427	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-37.9	174.7	-57.8	0	0	0	0	111.7	R705 Q706 I707 A712 L713	R705-S709 WeakPolarHBondContact O-CB 3.47Å; R705-S709 PolarHBondContact O-N 3.45Å; R705-S709 PolarHBondContact O-OG 3.47Å; Q706-S709 PolarHBondContact O-N 3.06Å; I707-S709 VanDerWaalsContact C-N 3.31Å; I707-S709 PolarHBondContact O-N 3.28Å; S709-A712 PolarHBondContact O-N 2.63Å; S709-L713 WeakPolarHBondContact O-CG 3.39Å; S709-L713 PolarHBondContact O-N 3.01Å
710	A	89.9	Confident	83	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-38.7	175.3	0	0	0	0	0	112.3	Q706 I707 Q708 L713 L714 F737 I741 L766	Q706-A710 WeakPolarHBondContact O-CB 3.33Å; Q706-A710 PolarHBondContact O-N 2.86Å; I707-A710 WeakPolarHBondContact O-CB 3.26Å; I707-A710 PolarHBondContact O-N 3.2Å; I707-A710 VanDerWaalsContact O-N 3.09Å; Q708-A710 VanDerWaalsContact C-N 3.33Å; Q708-A710 PolarHBondContact O-N 3.36Å; A710-L713 PolarHBondContact O-N 3.47Å; A710-L714 WeakPolarHBondContact O-CG 3.39Å; A710-L714 PolarHBondContact O-N 2.82Å; A710-F737 HydrophobicContact CB-CE2 4.33Å; A710-I741 HydrophobicContact CB-CD1 4.04Å; A710-I741 HydrophobicContact CB-CG1 3.85Å; A710-L766 HydrophobicContact CB-CD1 3.86Å; A710-L766 HydrophobicContact CB-CD2 4.09Å
711	Y	89.9	Confident	84.7	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-46.3	171.8	-80.1	-63.3	0	0	0	112.3	I707 Q708 L713 L714 T715 V763 L766 D767 P882 E884 A885	I707-Y711 HydrophobicContact CG2-CD2 3.86Å; I707-Y711 HydrophobicContact CG2-CE2 3.45Å; I707-Y711 VanDerWaalsContact CG2-CE2 3.45Å; I707-Y711 VanDerWaalsContact O-CD2 3.24Å; I707-Y711 WeakPolarHBondContact O-CD2 3.42Å; I707-Y711 PolarHBondContact O-N 3.17Å; Q708-Y711 WeakPolarHBondContact O-CB 3.33Å; Q708-Y711 PolarHBondContact O-N 3.08Å; Y711-L713 VanDerWaalsContact C-N 3.27Å; Y711-L713 PolarHBondContact O-N 3.16Å; Y711-L714 PolarHBondContact O-N 3.41Å; Y711-L714 VanDerWaalsContact O-N 3.09Å; Y711-T715 PolarHBondContact O-N 3.3Å; Y711-T715 PolarHBondContact O-OG1 2.91Å; Y711-V763 HydrophobicContact CE1-CG1 4.19Å; Y711-L766 HydrophobicContact CD1-CB 4.3Å; Y711-L766 HydrophobicContact CD1-CD1 3.71Å; Y711-L766 HydrophobicContact CD2-CD1 4.34Å; Y711-L766 HydrophobicContact CE1-CB 3.61Å; Y711-L766 HydrophobicContact CE1-CD1 3.9Å; Y711-L766 HydrophobicContact CE1-CG 4.43Å; Y711-L766 HydrophobicContact CE2-CB 4.11Å; Y711-L766 HydrophobicContact CE2-CD1 4.5Å; Y711-L766 HydrophobicContact CG-CD1 3.94Å; Y711-L766 VanDerWaalsContact CZ-CB 3.49Å; Y711-L766 PolarHBondContact OH-O 3.25Å; Y711-D767 VanDerWaalsContact OH-CA 3.25Å; Y711-D767 WeakPolarHBondContact OH-CA 3.47Å; Y711-D767 PolarHBondContact OH-N 3.41Å; Y711-D767 PolarHBondContact OH-OD1 2.99Å; Y711-P882 HydrophobicContact CD2-CG 3.97Å; Y711-P882 HydrophobicContact CE2-CG 3.81Å; Y711-P882 HydrophobicContact CG-CG 4.48Å; Y711-E884 CarbonylContact C-O 3.55Å; Y711-E884 VanDerWaalsContact C-O 3.3Å; Y711-A885 HydrophobicContact CD1-CB 3.53Å; Y711-A885 HydrophobicContact CE1-CB 3.89Å; Y711-A885 HydrophobicContact CG-CB 4.1Å
712	A	91.1	Very high	85.8	Confident	35 Å²	35	43.2 Å²	43.2	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-58.2	-41.3	177.6	0	0	0	0	0	111.5	Q708 S709 T715 E716 E884	Q708-A712 PolarHBondContact O-N 3.08Å; S709-A712 PolarHBondContact O-N 2.63Å; A712-T715 WeakPolarHBondContact O-CB 3.32Å; A712-T715 PolarHBondContact O-N 3.09Å; A712-E716 PolarHBondContact O-N 3Å; A712-E884 HydrophobicContact CB-CB 4.49Å
713	L	91.3	Very high	86.7	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-44.3	173.3	-70.8	-176.9	0	0	0	112.7	S709 A710 Y711 T715 E716 V717 R736 F737 L740	S709-L713 WeakPolarHBondContact O-CG 3.39Å; S709-L713 PolarHBondContact O-N 3.01Å; A710-L713 PolarHBondContact O-N 3.47Å; Y711-L713 VanDerWaalsContact C-N 3.27Å; Y711-L713 PolarHBondContact O-N 3.16Å; L713-T715 PolarHBondContact O-N 2.81Å; L713-E716 WeakPolarHBondContact O-CB 3.38Å; L713-E716 PolarHBondContact O-N 3.44Å; L713-E716 VanDerWaalsContact O-N 3.16Å; L713-V717 VanDerWaalsContact O-CG2 3.23Å; L713-V717 WeakPolarHBondContact O-CG2 3.32Å; L713-V717 PolarHBondContact O-N 3.47Å; L713-R736 HydrophobicContact CD1-CB 3.76Å; L713-R736 HydrophobicContact CD2-CB 4.17Å; L713-F737 HydrophobicContact CD1-CB 4.46Å; L713-L740 HydrophobicContact CD1-CD1 3.47Å; L713-L740 VanDerWaalsContact CD1-CD1 3.47Å; L713-L740 HydrophobicContact CD1-CG 4.22Å; L713-L740 HydrophobicContact CG-CD1 4.38Å
714	L	90.6	Very high	87.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-33.4	177.4	-70.8	-179.2	0	0	0	111.9	A710 Y711 V717 Q718 F737 L753 K762 V763 L766 P886	A710-L714 WeakPolarHBondContact O-CG 3.39Å; A710-L714 PolarHBondContact O-N 2.82Å; Y711-L714 PolarHBondContact O-N 3.41Å; Y711-L714 VanDerWaalsContact O-N 3.09Å; L714-V717 PolarHBondContact O-N 2.87Å; L714-Q718 WeakPolarHBondContact O-CB 3.3Å; L714-Q718 PolarHBondContact O-N 3.23Å; L714-F737 HydrophobicContact CD1-CE2 3.81Å; L714-F737 HydrophobicContact CD1-CZ 4.32Å; L714-F737 HydrophobicContact CD2-CD2 3.67Å; L714-F737 HydrophobicContact CD2-CE2 3.58Å; L714-F737 HydrophobicContact CD2-CG 4.22Å; L714-F737 HydrophobicContact CD2-CZ 4.05Å; L714-F737 HydrophobicContact CG-CD2 3.88Å; L714-F737 HydrophobicContact CG-CE2 3.63Å; L714-F737 HydrophobicContact CG-CZ 4.42Å; L714-L753 HydrophobicContact CD2-CD1 4.05Å; L714-K762 HydrophobicContact CD1-CB 4.11Å; L714-K762 HydrophobicContact CD2-CB 4.28Å; L714-V763 HydrophobicContact CD1-CG2 3.85Å; L714-L766 HydrophobicContact CD1-CD1 3.61Å; L714-L766 HydrophobicContact CD1-CG 4.41Å; L714-P886 HydrophobicContact CB-CG 4.15Å
715	T	89.5	Confident	87.5	Confident	45 Å²	45	46.1 Å²	46.1	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-44.6	171.8	-58.3	0	0	0	0	112	Y711 A712 L713 V717 Q718 Q719 E884 A885 P886	Y711-T715 PolarHBondContact O-N 3.3Å; Y711-T715 PolarHBondContact O-OG1 2.91Å; A712-T715 WeakPolarHBondContact O-CB 3.32Å; A712-T715 PolarHBondContact O-N 3.09Å; L713-T715 PolarHBondContact O-N 2.81Å; T715-V717 VanDerWaalsContact C-N 3.33Å; T715-V717 PolarHBondContact O-N 3.23Å; T715-Q718 PolarHBondContact O-N 2.92Å; T715-Q719 PolarHBondContact O-N 2.77Å; T715-E884 PolarHBondContact OG1-O 3.38Å; T715-A885 VanDerWaalsContact OG1-C 3.26Å; T715-P886 VanDerWaalsContact OG1-CA 3.27Å; T715-P886 WeakPolarHBondContact OG1-CA 3.49Å
716	E	90.4	Very high	87.4	Confident	80 Å²	80	41.9 Å²	41.9	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-43.3	172.7	-72	174.9	-146.8	0	0	111.2	A712 L713 Q719 A720 L733 R736	A712-E716 PolarHBondContact O-N 3Å; L713-E716 WeakPolarHBondContact O-CB 3.38Å; L713-E716 PolarHBondContact O-N 3.44Å; L713-E716 VanDerWaalsContact O-N 3.16Å; E716-Q719 PolarHBondContact O-N 3.38Å; E716-A720 WeakPolarHBondContact O-CB 3.34Å; E716-A720 PolarHBondContact O-N 3.09Å; E716-L733 HydrophobicContact CB-CD1 4.13Å; E716-L733 HydrophobicContact CB-CD2 3.85Å; E716-L733 WeakPolarHBondContact OE2-CD2 3.23Å; E716-R736 IonicContact OE2-CZ 3.52Å; E716-R736 IonicContact OE2-NH1 3.44Å; E716-R736 PolarHBondContact OE2-NH1 2.92Å; E716-R736 IonicContact OE2-NH2 2.79Å
717	V	89.8	Confident	87.3	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-46.9	177.7	176	0	0	0	0	110.6	L713 L714 T715 Q719 A720 V721 L733 L753 I759	L713-V717 VanDerWaalsContact O-CG2 3.23Å; L713-V717 WeakPolarHBondContact O-CG2 3.32Å; L713-V717 PolarHBondContact O-N 3.47Å; L714-V717 PolarHBondContact O-N 2.87Å; T715-V717 VanDerWaalsContact C-N 3.33Å; T715-V717 PolarHBondContact O-N 3.23Å; V717-Q719 VanDerWaalsContact C-N 3.32Å; V717-Q719 PolarHBondContact O-N 2.81Å; V717-A720 WeakPolarHBondContact O-CB 3.4Å; V717-A720 PolarHBondContact O-N 2.88Å; V717-V721 HydrophobicContact CG1-CG2 4.35Å; V717-V721 WeakPolarHBondContact O-CG2 3.42Å; V717-V721 PolarHBondContact O-N 3.24Å; V717-L733 HydrophobicContact CG2-CB 3.42Å; V717-L733 VanDerWaalsContact CG2-CB 3.42Å; V717-L733 HydrophobicContact CG2-CD1 4.18Å; V717-L733 HydrophobicContact CG2-CG 4.37Å; V717-L753 HydrophobicContact CG1-CB 3.66Å; V717-L753 HydrophobicContact CG1-CD1 4.39Å; V717-L753 VanDerWaalsContact CG1-O 3.26Å; V717-L753 WeakPolarHBondContact CG1-O 3.42Å; V717-L753 HydrophobicContact CG2-CD1 4.1Å; V717-I759 HydrophobicContact CG1-CD1 3.68Å; V717-I759 HydrophobicContact CG1-CG1 4.05Å
718	Q	87.3	Confident	87.1	Confident	32 Å²	32	48.9 Å²	48.9	15%	0.15	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-46.1	179.4	-176.3	-140.6	-43.7	0	0	111.3	L714 T715 V721 S722 L756 P886 T888	L714-Q718 WeakPolarHBondContact O-CB 3.3Å; L714-Q718 PolarHBondContact O-N 3.23Å; T715-Q718 PolarHBondContact O-N 2.92Å; Q718-V721 PolarHBondContact O-N 3.32Å; Q718-S722 WeakPolarHBondContact O-CB 3.42Å; Q718-S722 PolarHBondContact O-N 3.38Å; Q718-S722 PolarHBondContact O-OG 3.4Å; Q718-L756 HydrophobicContact CG-CD2 4.19Å; Q718-P886 HydrophobicContact CB-CB 4.35Å; Q718-T888 HydrophobicContact CG-CG2 3.45Å; Q718-T888 VanDerWaalsContact CG-CG2 3.45Å; Q718-T888 WeakPolarHBondContact CG-OG1 3.45Å; Q718-T888 PolarHBondContact OE1-OG1 3.18Å
719	Q	87.9	Confident	86.9	Confident	115 Å²	115	50.7 Å²	50.7	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-45.6	177.9	-175.2	170.2	6.3	0	0	110.7	T715 E716 V717 V721 S722 D723	T715-Q719 PolarHBondContact O-N 2.77Å; E716-Q719 PolarHBondContact O-N 3.38Å; V717-Q719 VanDerWaalsContact C-N 3.32Å; V717-Q719 PolarHBondContact O-N 2.81Å; Q719-V721 VanDerWaalsContact C-N 3.34Å; Q719-V721 PolarHBondContact O-N 2.98Å; Q719-S722 PolarHBondContact O-N 2.97Å; Q719-S722 VanDerWaalsContact O-N 3.17Å; Q719-D723 WeakPolarHBondContact CG-OD2 3.41Å; Q719-D723 WeakPolarHBondContact O-CB 3.17Å; Q719-D723 PolarHBondContact O-N 3.02Å
720	A	88.3	Confident	86.9	Confident	8 Å²	8	48.6 Å²	48.6	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-56	-45.2	175.1	0	0	0	0	0	112.6	E716 V717 S724 V725 I730 L733	E716-A720 WeakPolarHBondContact O-CB 3.34Å; E716-A720 PolarHBondContact O-N 3.09Å; V717-A720 WeakPolarHBondContact O-CB 3.4Å; V717-A720 PolarHBondContact O-N 2.88Å; A720-S724 PolarHBondContact O-N 3.32Å; A720-V725 HydrophobicContact CB-CG2 3.44Å; A720-V725 VanDerWaalsContact CB-CG2 3.44Å; A720-V725 WeakPolarHBondContact O-CG2 3.33Å; A720-V725 PolarHBondContact O-N 3.31Å; A720-V725 VanDerWaalsContact O-N 3.12Å; A720-I730 HydrophobicContact CB-CG1 4.17Å; A720-L733 HydrophobicContact CB-CD1 3.86Å
721	V	87.7	Confident	86.9	Confident	27 Å²	27	49.1 Å²	49.1	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-40.6	177.4	172.4	0	0	0	0	111.4	V717 Q718 Q719 S724 I730 L756 I759	V717-V721 HydrophobicContact CG1-CG2 4.35Å; V717-V721 WeakPolarHBondContact O-CG2 3.42Å; V717-V721 PolarHBondContact O-N 3.24Å; Q718-V721 PolarHBondContact O-N 3.32Å; Q719-V721 VanDerWaalsContact C-N 3.34Å; Q719-V721 PolarHBondContact O-N 2.98Å; V721-S724 PolarHBondContact O-N 2.92Å; V721-I730 HydrophobicContact CG2-CD1 4.13Å; V721-L756 HydrophobicContact CG1-CD2 4.14Å; V721-L756 HydrophobicContact CG1-CG 4.34Å; V721-I759 HydrophobicContact CG2-CD1 4.12Å
722	S	85.1	Confident	86.8	Confident	64 Å²	64	50.1 Å²	50.1	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-41.6	179.6	-55.1	0	0	0	0	112	Q718 Q719 S724	Q718-S722 WeakPolarHBondContact O-CB 3.42Å; Q718-S722 PolarHBondContact O-N 3.38Å; Q718-S722 PolarHBondContact O-OG 3.4Å; Q719-S722 PolarHBondContact O-N 2.97Å; Q719-S722 VanDerWaalsContact O-N 3.17Å; S722-S724 PolarHBondContact O-N 2.84Å
723	D	86.2	Confident	86.7	Confident	102 Å²	102	49.1 Å²	49.1	55%	0.545	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.7	179.2	-67	-16.9	0	0	0	112.5	Q719 V725	Q719-D723 WeakPolarHBondContact CG-OD2 3.41Å; Q719-D723 WeakPolarHBondContact O-CB 3.17Å; Q719-D723 PolarHBondContact O-N 3.02Å; D723-V725 HydrophobicContact CB-CG1 3.93Å; D723-V725 PolarHBondContact O-N 2.65Å
724	S	82.3	Confident	86.7	Confident	106 Å²	106	48.9 Å²	48.9	74%	0.741	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.4	-179	-59.6	0	0	0	0	113.1	A720 V721 S722	A720-S724 PolarHBondContact O-N 3.32Å; V721-S724 PolarHBondContact O-N 2.92Å; S722-S724 PolarHBondContact O-N 2.84Å
725	V	83.3	Confident	86.7	Confident	36 Å²	36	48.9 Å²	48.9	22%	0.218	27%	0.272	C	S	.	.			trans	-67.3	161.8	-179.8	-56.6	0	0	0	0	111.8	A720 D723 E727 Q729 I730	A720-V725 HydrophobicContact CB-CG2 3.44Å; A720-V725 VanDerWaalsContact CB-CG2 3.44Å; A720-V725 WeakPolarHBondContact O-CG2 3.33Å; A720-V725 PolarHBondContact O-N 3.31Å; A720-V725 VanDerWaalsContact O-N 3.12Å; D723-V725 HydrophobicContact CB-CG1 3.93Å; D723-V725 PolarHBondContact O-N 2.65Å; V725-E727 PolarHBondContact O-N 3.37Å; V725-Q729 HydrophobicContact CG2-CB 4.06Å; V725-I730 HydrophobicContact CG2-CG1 4.13Å
726	P	81.3	Confident	86.8	Confident	89 Å²	89	49.9 Å²	49.9	58%	0.578	27%	0.271	S	S	*	.			trans	-55.5	140.4	-179.6	-25.7	35	0	0	0	112.8	A728 Q729	P726-A728 PolarHBondContact O-N 2.97Å; P726-Q729 PolarHBondContact O-N 2.75Å
727	E	81.5	Confident	86.9	Confident	136 Å²	136	46 Å²	46	64%	0.636	25%	0.253	S	S	*	.	H	α-helix	trans	-52.3	-29	-179	-170.7	180	171.7	0	0	113.1	V725 Q729 I730 L731	V725-E727 PolarHBondContact O-N 3.37Å; E727-Q729 VanDerWaalsContact C-N 3.31Å; E727-Q729 PolarHBondContact O-N 3.34Å; E727-I730 PolarHBondContact O-N 3.1Å; E727-L731 VanDerWaalsContact O-CB 3.27Å; E727-L731 WeakPolarHBondContact O-CB 3.39Å; E727-L731 PolarHBondContact O-N 3.28Å
728	A	80.6	Confident	86.9	Confident	19 Å²	19	46.1 Å²	46.1	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-56.3	-37.9	174.1	0	0	0	0	0	114.1	I313 P726 D732	I313-A728 HydrophobicContact CD1-CB 3.81Å; P726-A728 PolarHBondContact O-N 2.97Å; A728-D732 PolarHBondContact O-N 3.24Å
729	Q	84	Confident	86.9	Confident	102 Å²	102	44.7 Å²	44.7	48%	0.477	25%	0.246	S	C	.	.	H	α-helix	trans	-76.1	-40.8	176.9	-69.3	-177.9	3	0	0	111.3	V725 P726 E727 L731 D732 L733	V725-Q729 HydrophobicContact CG2-CB 4.06Å; P726-Q729 PolarHBondContact O-N 2.75Å; E727-Q729 VanDerWaalsContact C-N 3.31Å; E727-Q729 PolarHBondContact O-N 3.34Å; Q729-L731 VanDerWaalsContact C-N 3.29Å; Q729-L731 PolarHBondContact O-N 3.24Å; Q729-D732 WeakPolarHBondContact O-CB 3.5Å; Q729-D732 PolarHBondContact O-N 3.04Å; Q729-D732 VanDerWaalsContact O-N 3.08Å; Q729-L733 WeakPolarHBondContact O-CG 3.36Å; Q729-L733 PolarHBondContact O-N 3.35Å
730	I	87.9	Confident	86.9	Confident	17 Å²	17	39.9 Å²	39.9	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-40.6	176.2	-61.6	171.4	0	0	0	110.4	A720 V721 V725 E727 D732 L733 S734 L753 N754	A720-I730 HydrophobicContact CB-CG1 4.17Å; V721-I730 HydrophobicContact CG2-CD1 4.13Å; V725-I730 HydrophobicContact CG2-CG1 4.13Å; E727-I730 PolarHBondContact O-N 3.1Å; I730-D732 VanDerWaalsContact C-N 3.29Å; I730-D732 PolarHBondContact O-N 3.31Å; I730-L733 PolarHBondContact O-N 2.97Å; I730-S734 VanDerWaalsContact O-CB 3.29Å; I730-S734 WeakPolarHBondContact O-CB 3.36Å; I730-S734 PolarHBondContact O-N 2.65Å; I730-S734 PolarHBondContact O-OG 2.69Å; I730-L753 WeakPolarHBondContact CG2-O 3.4Å; I730-N754 HydrophobicContact CG2-CB 4.44Å
731	L	88.2	Confident	86.9	Confident	11 Å²	11	39.6 Å²	39.6	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-41.7	173	174.5	67.4	0	0	0	111.4	T317 V320 I563 V564 E727 Q729 S734 N735 L752	T317-L731 HydrophobicContact CG2-CD2 3.56Å; T317-L731 HydrophobicContact CG2-CG 3.73Å; V320-L731 HydrophobicContact CG1-CD2 4.03Å; I563-L731 HydrophobicContact CB-CD1 3.71Å; I563-L731 HydrophobicContact CD1-CD1 4.17Å; I563-L731 HydrophobicContact CG2-CD1 3.93Å; V564-L731 HydrophobicContact CG2-CD1 3.94Å; V564-L731 HydrophobicContact CG2-CD2 3.59Å; V564-L731 HydrophobicContact CG2-CG 4.39Å; E727-L731 VanDerWaalsContact O-CB 3.27Å; E727-L731 WeakPolarHBondContact O-CB 3.39Å; E727-L731 PolarHBondContact O-N 3.28Å; Q729-L731 VanDerWaalsContact C-N 3.29Å; Q729-L731 PolarHBondContact O-N 3.24Å; L731-S734 PolarHBondContact O-N 3.12Å; L731-N735 WeakPolarHBondContact O-CB 3.2Å; L731-N735 PolarHBondContact O-N 2.89Å; L731-N735 PolarHBondContact O-ND2 2.81Å; L731-L752 HydrophobicContact CB-CD2 4.19Å; L731-L752 HydrophobicContact CD1-CD2 3.65Å
732	D	87.6	Confident	86.7	Confident	22 Å²	22	38.9 Å²	38.9	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-49.5	178	-169.2	71.6	0	0	0	113.4	S314 W316 T317 A728 Q729 I730 S734 N735 R736	S314-D732 WeakPolarHBondContact CB-OD1 3.26Å; S314-D732 PolarHBondContact OG-OD1 3.37Å; W316-D732 WeakPolarHBondContact CB-OD1 3.42Å; T317-D732 VanDerWaalsContact CB-OD1 3.25Å; T317-D732 WeakPolarHBondContact CB-OD1 3.21Å; T317-D732 WeakPolarHBondContact OG1-CA 3.29Å; T317-D732 PolarHBondContact OG1-OD1 2.98Å; A728-D732 PolarHBondContact O-N 3.24Å; Q729-D732 WeakPolarHBondContact O-CB 3.5Å; Q729-D732 PolarHBondContact O-N 3.04Å; Q729-D732 VanDerWaalsContact O-N 3.08Å; I730-D732 VanDerWaalsContact C-N 3.29Å; I730-D732 PolarHBondContact O-N 3.31Å; D732-S734 VanDerWaalsContact C-N 3.28Å; D732-S734 PolarHBondContact O-N 3.42Å; D732-N735 PolarHBondContact O-N 3.22Å; D732-R736 WeakPolarHBondContact O-CG 3.43Å; D732-R736 PolarHBondContact O-N 2.84Å; D732-R736 WeakPolarHBondContact OD2-CD 3.44Å
733	L	90.5	Very high	86.7	Confident	15 Å²	15	35.9 Å²	35.9	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-38	178	-62.1	170.9	0	0	0	111.4	E716 V717 A720 Q729 I730 R736 F737	E716-L733 HydrophobicContact CB-CD1 4.13Å; E716-L733 HydrophobicContact CB-CD2 3.85Å; E716-L733 WeakPolarHBondContact OE2-CD2 3.23Å; V717-L733 HydrophobicContact CG2-CB 3.42Å; V717-L733 VanDerWaalsContact CG2-CB 3.42Å; V717-L733 HydrophobicContact CG2-CD1 4.18Å; V717-L733 HydrophobicContact CG2-CG 4.37Å; A720-L733 HydrophobicContact CB-CD1 3.86Å; Q729-L733 WeakPolarHBondContact O-CG 3.36Å; Q729-L733 PolarHBondContact O-N 3.35Å; I730-L733 PolarHBondContact O-N 2.97Å; L733-R736 PolarHBondContact O-N 3.46Å; L733-F737 WeakPolarHBondContact O-CB 3.13Å; L733-F737 PolarHBondContact O-N 3.23Å
734	S	91.6	Very high	86.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-45.4	174.5	-57.6	0	0	0	0	111.7	I730 L731 D732 R736 F737 Y738 L753	I730-S734 VanDerWaalsContact O-CB 3.29Å; I730-S734 WeakPolarHBondContact O-CB 3.36Å; I730-S734 PolarHBondContact O-N 2.65Å; I730-S734 PolarHBondContact O-OG 2.69Å; L731-S734 PolarHBondContact O-N 3.12Å; D732-S734 VanDerWaalsContact C-N 3.28Å; D732-S734 PolarHBondContact O-N 3.42Å; S734-R736 VanDerWaalsContact C-N 3.33Å; S734-R736 PolarHBondContact O-N 3.13Å; S734-F737 PolarHBondContact O-N 3.37Å; S734-Y738 WeakPolarHBondContact O-CD2 3.14Å; S734-Y738 PolarHBondContact O-N 3.37Å; S734-L753 WeakPolarHBondContact OG-CB 3.41Å; S734-L753 PolarHBondContact OG-N 3.39Å; S734-L753 VanDerWaalsContact OG-N 3.11Å
735	N	90.6	Very high	86.7	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-42.3	175.5	-76.1	-35.4	0	0	0	111.6	T317 I563 L731 D732 T739	T317-N735 PolarHBondContact OG1-ND2 3.3Å; I563-N735 WeakPolarHBondContact CD1-OD1 3.33Å; I563-N735 WeakPolarHBondContact CG1-OD1 3.19Å; I563-N735 PolarHBondContact N-OD1 3.4Å; L731-N735 WeakPolarHBondContact O-CB 3.2Å; L731-N735 PolarHBondContact O-N 2.89Å; L731-N735 PolarHBondContact O-ND2 2.81Å; D732-N735 PolarHBondContact O-N 3.22Å; N735-T739 VanDerWaalsContact O-CB 3.3Å; N735-T739 WeakPolarHBondContact O-CB 3.08Å; N735-T739 PolarHBondContact O-N 2.96Å; N735-T739 PolarHBondContact O-OG1 3.07Å
736	R	90.6	Very high	86.7	Confident	65 Å²	65	29 Å²	29	25%	0.245	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-47	176	-72.5	170.4	70.5	-159	-2.4	111	W316 L713 E716 D732 L733 S734 T739 L740	W316-R736 HydrophobicContact CB-CG 4.13Å; W316-R736 HydrophobicContact CD2-CG 3.52Å; W316-R736 HydrophobicContact CE3-CG 3.93Å; W316-R736 HydrophobicContact CG-CG 3.59Å; W316-R736 HydrophobicContact CZ2-CG 4.43Å; L713-R736 HydrophobicContact CD1-CB 3.76Å; L713-R736 HydrophobicContact CD2-CB 4.17Å; E716-R736 IonicContact OE2-CZ 3.52Å; E716-R736 IonicContact OE2-NH1 3.44Å; E716-R736 PolarHBondContact OE2-NH1 2.92Å; E716-R736 IonicContact OE2-NH2 2.79Å; D732-R736 WeakPolarHBondContact O-CG 3.43Å; D732-R736 PolarHBondContact O-N 2.84Å; D732-R736 WeakPolarHBondContact OD2-CD 3.44Å; L733-R736 PolarHBondContact O-N 3.46Å; S734-R736 VanDerWaalsContact C-N 3.33Å; S734-R736 PolarHBondContact O-N 3.13Å; R736-T739 PolarHBondContact O-N 3Å; R736-L740 PolarHBondContact O-N 2.89Å
737	F	91.7	Very high	86.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-53.5	-179.8	178.1	-99.2	0	0	0	112.4	A710 L713 L714 L733 S734 T739 L740 I741 H743 L753 K762 M765 L766	A710-F737 HydrophobicContact CB-CE2 4.33Å; L713-F737 HydrophobicContact CD1-CB 4.46Å; L714-F737 HydrophobicContact CD1-CE2 3.81Å; L714-F737 HydrophobicContact CD1-CZ 4.32Å; L714-F737 HydrophobicContact CD2-CD2 3.67Å; L714-F737 HydrophobicContact CD2-CE2 3.58Å; L714-F737 HydrophobicContact CD2-CG 4.22Å; L714-F737 HydrophobicContact CD2-CZ 4.05Å; L714-F737 HydrophobicContact CG-CD2 3.88Å; L714-F737 HydrophobicContact CG-CE2 3.63Å; L714-F737 HydrophobicContact CG-CZ 4.42Å; L733-F737 WeakPolarHBondContact O-CB 3.13Å; L733-F737 PolarHBondContact O-N 3.23Å; S734-F737 PolarHBondContact O-N 3.37Å; F737-T739 PolarHBondContact O-N 3.28Å; F737-L740 PolarHBondContact O-N 2.97Å; F737-L740 VanDerWaalsContact O-N 3.14Å; F737-I741 HydrophobicContact CE2-CG1 4.43Å; F737-I741 PolarHBondContact O-N 3.19Å; F737-H743 AromaticContact CE1-CE1 3.67Å; F737-L753 HydrophobicContact CB-CD1 3.93Å; F737-L753 HydrophobicContact CD1-CD1 3.8Å; F737-L753 HydrophobicContact CG-CD1 3.9Å; F737-K762 HydrophobicContact CE1-CB 4.4Å; F737-K762 HydrophobicContact CE1-CD 4.24Å; F737-K762 HydrophobicContact CE1-CG 4.24Å; F737-K762 HydrophobicContact CZ-CB 4.01Å; F737-K762 HydrophobicContact CZ-CD 4.41Å; F737-K762 HydrophobicContact CZ-CG 4.33Å; F737-M765 HydrophobicContact CZ-CE 3.95Å; F737-L766 HydrophobicContact CE2-CD1 4.39Å
738	Y	89.9	Confident	86.4	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-69.8	-22	-180	-65	-57.4	0	0	0	113.7	V561 I563 S734 I741 H743 F745 P750 P751 L753 Y758	V561-Y738 WeakPolarHBondContact CG2-O 3.19Å; I563-Y738 HydrophobicContact CD1-CD2 4.07Å; I563-Y738 HydrophobicContact CD1-CE2 4.24Å; I563-Y738 HydrophobicContact CG1-CD2 4.47Å; S734-Y738 WeakPolarHBondContact O-CD2 3.14Å; S734-Y738 PolarHBondContact O-N 3.37Å; Y738-I741 CarbonylContact C-O 3.54Å; Y738-I741 CarbonylContact O-C 3.36Å; Y738-H743 HydrophobicContact CD1-CB 4.42Å; Y738-H743 AromaticContact CD1-CE1 3.9Å; Y738-H743 AromaticContact CD1-CG 3.98Å; Y738-H743 AromaticContact CD1-ND1 3.58Å; Y738-F745 AromaticContact CD1-CE2 3.87Å; Y738-F745 HydrophobicContact CD1-CE2 3.87Å; Y738-F745 AromaticContact CD1-CZ 3.85Å; Y738-F745 HydrophobicContact CD1-CZ 3.85Å; Y738-F745 AromaticContact CE1-CE2 3.98Å; Y738-F745 HydrophobicContact CE1-CE2 3.98Å; Y738-F745 AromaticContact CE1-CZ 3.5Å; Y738-F745 HydrophobicContact CE1-CZ 3.5Å; Y738-F745 VanDerWaalsContact CE1-CZ 3.5Å; Y738-F745 HydrophobicContact CG-CE2 4.36Å; Y738-P750 HydrophobicContact CD2-CB 4.08Å; Y738-P750 HydrophobicContact CE2-CB 4.25Å; Y738-P750 HydrophobicContact CG-CB 4.46Å; Y738-P751 WeakPolarHBondContact CE2-O 3.39Å; Y738-P751 PolarHBondContact OH-O 3.24Å; Y738-L753 HydrophobicContact CE2-CG 4.29Å; Y738-L753 WeakPolarHBondContact OH-CD2 3.44Å; Y738-Y758 WeakPolarHBondContact OH-CE1 3.36Å
739	T	88.9	Confident	86.6	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-72.6	-42.8	170.4	-56.6	0	0	0	0	110.7	W316 V561 Y640 L642 N735 R736 F737	W316-T739 HydrophobicContact CZ3-CG2 3.76Å; V561-T739 PolarHBondContact N-OG1 3.25Å; Y640-T739 HydrophobicContact CD1-CG2 4.41Å; Y640-T739 HydrophobicContact CG-CG2 4.39Å; L642-T739 WeakPolarHBondContact CD2-O 3.25Å; N735-T739 VanDerWaalsContact O-CB 3.3Å; N735-T739 WeakPolarHBondContact O-CB 3.08Å; N735-T739 PolarHBondContact O-N 2.96Å; N735-T739 PolarHBondContact O-OG1 3.07Å; R736-T739 PolarHBondContact O-N 3Å; F737-T739 PolarHBondContact O-N 3.28Å
740	L	87.3	Confident	86.7	Confident	14 Å²	14	31.1 Å²	31.1	7%	0.073	15%	0.151	C	C	.	.	H	α-helix	trans	-68.2	-40.7	177.3	-74.9	-171.5	0	0	0	112.8	Y640 Q706 L713 R736 F737 P742	Y640-L740 HydrophobicContact CD1-CD2 4.07Å; Y640-L740 HydrophobicContact CE1-CD2 3.38Å; Q706-L740 PolarHBondContact NE2-O 3.44Å; L713-L740 HydrophobicContact CD1-CD1 3.47Å; L713-L740 VanDerWaalsContact CD1-CD1 3.47Å; L713-L740 HydrophobicContact CD1-CG 4.22Å; L713-L740 HydrophobicContact CG-CD1 4.38Å; R736-L740 PolarHBondContact O-N 2.89Å; F737-L740 PolarHBondContact O-N 2.97Å; F737-L740 VanDerWaalsContact O-N 3.14Å; L740-P742 WeakPolarHBondContact O-CD 3.44Å
741	I	87.1	Confident	86.8	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-115.2	98.6	178.6	-53.2	-62.3	0	0	0	107.4	L702 A710 F737 Y738 H743 M765 L766	L702-I741 HydrophobicContact CD1-CD1 4.45Å; L702-I741 HydrophobicContact CD2-CD1 3.76Å; A710-I741 HydrophobicContact CB-CD1 4.04Å; A710-I741 HydrophobicContact CB-CG1 3.85Å; F737-I741 HydrophobicContact CE2-CG1 4.43Å; F737-I741 PolarHBondContact O-N 3.19Å; Y738-I741 CarbonylContact C-O 3.54Å; Y738-I741 CarbonylContact O-C 3.36Å; I741-H743 PolarHBondContact O-CE1 3.13Å; I741-H743 PolarHBondContact O-N 2.59Å; I741-H743 PolarHBondContact O-ND1 3.21Å; I741-M765 HydrophobicContact CG2-CE 4.09Å; I741-L766 HydrophobicContact CD1-CD2 4.28Å; I741-L766 HydrophobicContact CG1-CD2 4.24Å
742	P	84.2	Confident	86.9	Confident	13 Å²	13	34.2 Å²	34.2	8%	0.084	17%	0.171	C	C	.	.			trans	-57.5	133.3	176.7	-22	29.8	0	0	0	110.9	V593 L642 M697 L740	V593-P742 HydrophobicContact CG1-CB 4.04Å; L642-P742 HydrophobicContact CD1-CG 3.56Å; M697-P742 HydrophobicContact CE-CB 3.88Å; M697-P742 HydrophobicContact CE-CG 4.46Å; M697-P742 WeakPolarHBondContact CE-O 3.21Å; M697-P742 HydrophobicContact CG-CG 4.31Å; M697-P742 HydrophobicContact SD-CB 3.82Å; M697-P742 VanDerWaalsContact SD-CD 3.55Å; M697-P742 HydrophobicContact SD-CG 3.74Å; L740-P742 WeakPolarHBondContact O-CD 3.44Å
743	H	86.1	Confident	86.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.			trans	-122.9	151.3	176.4	-76.4	70.3	0	0	0	109.9	N568 V593 E691 F737 Y738 I741 F745 K762	N568-H743 PolarHBondContact ND2-O 2.77Å; V593-H743 WeakPolarHBondContact CG1-O 3.37Å; E691-H743 CarbonylContact O-C 3.54Å; E691-H743 WeakPolarHBondContact O-CA 3.44Å; F737-H743 AromaticContact CE1-CE1 3.67Å; Y738-H743 HydrophobicContact CD1-CB 4.42Å; Y738-H743 AromaticContact CD1-CE1 3.9Å; Y738-H743 AromaticContact CD1-CG 3.98Å; Y738-H743 AromaticContact CD1-ND1 3.58Å; I741-H743 PolarHBondContact O-CE1 3.13Å; I741-H743 PolarHBondContact O-N 2.59Å; I741-H743 PolarHBondContact O-ND1 3.21Å; H743-F745 HydrophobicContact CB-CD2 4.03Å; H743-F745 HydrophobicContact CB-CE1 4.13Å; H743-F745 HydrophobicContact CB-CE2 3.34Å; H743-F745 HydrophobicContact CB-CZ 3.4Å; H743-F745 VanDerWaalsContact CB-CZ 3.4Å; H743-F745 AromaticContact CD2-CZ 3.99Å; H743-F745 AromaticContact CG-CZ 3.82Å; H743-K762 PolarHBondContact CD2-NZ 2.92Å; H743-K762 VanDerWaalsContact CD2-NZ 3.27Å; H743-K762 PolarHBondContact NE2-NZ 3.14Å
744	D	84.6	Confident	86.7	Confident	58 Å²	58	37.1 Å²	37.1	31%	0.31	19%	0.186	S	C	.	.			trans	-95.2	99.9	171.6	-177.9	9.9	0	0	0	110.6	G594 E691 D693 G746	G594-D744 VanDerWaalsContact CA-CG 3.42Å; G594-D744 WeakPolarHBondContact CA-OD1 3.34Å; E691-D744 PolarHBondContact O-N 3.26Å; D693-D744 HydrophobicContact CB-CB 4.38Å; D744-G746 WeakPolarHBondContact OD1-CA 3.37Å; D744-G746 PolarHBondContact OD1-N 3.49Å
745	F	83.6	Confident	86.5	Confident	20 Å²	20	40.7 Å²	40.7	9%	0.088	21%	0.205	C	C	.	.			trans	-98.6	11.1	171.7	-59.3	-62.4	0	0	0	112.7	Y738 H743 M747 K748 P750 P751	Y738-F745 AromaticContact CD1-CE2 3.87Å; Y738-F745 HydrophobicContact CD1-CE2 3.87Å; Y738-F745 AromaticContact CD1-CZ 3.85Å; Y738-F745 HydrophobicContact CD1-CZ 3.85Å; Y738-F745 AromaticContact CE1-CE2 3.98Å; Y738-F745 HydrophobicContact CE1-CE2 3.98Å; Y738-F745 AromaticContact CE1-CZ 3.5Å; Y738-F745 HydrophobicContact CE1-CZ 3.5Å; Y738-F745 VanDerWaalsContact CE1-CZ 3.5Å; Y738-F745 HydrophobicContact CG-CE2 4.36Å; H743-F745 HydrophobicContact CB-CD2 4.03Å; H743-F745 HydrophobicContact CB-CE1 4.13Å; H743-F745 HydrophobicContact CB-CE2 3.34Å; H743-F745 HydrophobicContact CB-CZ 3.4Å; H743-F745 VanDerWaalsContact CB-CZ 3.4Å; H743-F745 AromaticContact CD2-CZ 3.99Å; H743-F745 AromaticContact CG-CZ 3.82Å; F745-M747 PolarHBondContact O-N 3.47Å; F745-K748 WeakPolarHBondContact O-CB 3.48Å; F745-K748 PolarHBondContact O-N 3.31Å; F745-P750 HydrophobicContact CD2-CB 3.6Å; F745-P750 HydrophobicContact CD2-CG 3.71Å; F745-P750 HydrophobicContact CE2-CB 3.45Å; F745-P750 VanDerWaalsContact CE2-CB 3.45Å; F745-P750 HydrophobicContact CE2-CG 3.98Å; F745-P750 HydrophobicContact CG-CB 4.46Å; F745-P750 HydrophobicContact CZ-CB 4.24Å; F745-P751 HydrophobicContact CE1-CG 4.18Å; F745-P751 HydrophobicContact CZ-CG 4.48Å
746	G	83.3	Confident	86.2	Confident	23 Å²	23	44 Å²	44	24%	0.237	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-125	-171.4	0	0	0	0	0	111.2	R592 D744	R592-G746 PolarHBondContact NE-O 2.79Å; D744-G746 WeakPolarHBondContact OD1-CA 3.37Å; D744-G746 PolarHBondContact OD1-N 3.49Å
747	M	75.4	Confident	86	Confident	116 Å²	116	46.2 Å²	46.2	57%	0.571	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.9	177.2	-59	-58.7	163.9	0	0	114	T595 I597 F745	T595-M747 HydrophobicContact CG2-CE 3.89Å; T595-M747 HydrophobicContact CG2-SD 4.49Å; I597-M747 HydrophobicContact CD1-CE 3.33Å; I597-M747 HydrophobicContact CD1-SD 3.55Å; I597-M747 VanDerWaalsContact CD1-SD 3.55Å; I597-M747 HydrophobicContact CG1-CE 3.84Å; F745-M747 PolarHBondContact O-N 3.47Å
748	K	81.6	Confident	85.7	Confident	168 Å²	168	49 Å²	49	73%	0.73	25%	0.25	S	S	*	.	S	Bend	trans	-82	157	-179.9	-62.3	178.8	-177.6	173.7	0	110.2	R592 F745	R592-K748 PolarHBondContact NH2-O 2.87Å; F745-K748 WeakPolarHBondContact O-CB 3.48Å; F745-K748 PolarHBondContact O-N 3.31Å
749	K	83.2	Confident	85.7	Confident	103 Å²	103	48.9 Å²	48.9	45%	0.448	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-71.3	143.2	172.8	-57.9	-164.5	175.3	-172.6	0	109.3	V564	V564-K749 PolarHBondContact O-NZ 2.94Å
750	P	87.2	Confident	85.5	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.019	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-57.4	134.1	170.1	-18.2	29	0	0	0	110.1	V561 I563 N568 Y738 F745	V561-P750 HydrophobicContact CG1-CG 3.93Å; I563-P750 HydrophobicContact CG1-CB 4.06Å; I563-P750 HydrophobicContact CG1-CG 4.49Å; N568-P750 HydrophobicContact CB-CG 4.36Å; Y738-P750 HydrophobicContact CD2-CB 4.08Å; Y738-P750 HydrophobicContact CE2-CB 4.25Å; Y738-P750 HydrophobicContact CG-CB 4.46Å; F745-P750 HydrophobicContact CD2-CB 3.6Å; F745-P750 HydrophobicContact CD2-CG 3.71Å; F745-P750 HydrophobicContact CE2-CB 3.45Å; F745-P750 VanDerWaalsContact CE2-CB 3.45Å; F745-P750 HydrophobicContact CE2-CG 3.98Å; F745-P750 HydrophobicContact CG-CB 4.46Å; F745-P750 HydrophobicContact CZ-CB 4.24Å
751	P	89.5	Confident	85.5	Confident	51 Å²	51	54 Å²	54	33%	0.331	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-71.1	157.5	178.6	29.3	-32.8	0	0	0	111.4	Y738 F745 Y758	Y738-P751 WeakPolarHBondContact CE2-O 3.39Å; Y738-P751 PolarHBondContact OH-O 3.24Å; F745-P751 HydrophobicContact CE1-CG 4.18Å; F745-P751 HydrophobicContact CZ-CG 4.48Å; P751-Y758 HydrophobicContact CB-CE1 4.4Å; P751-Y758 HydrophobicContact CG-CE1 3.9Å; P751-Y758 WeakPolarHBondContact CG-OH 3.28Å
752	L	89.6	Confident	85.6	Confident	41 Å²	41	54.4 Å²	54.4	22%	0.215	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-80.9	142.7	174.5	-75.6	165.9	0	0	0	110.8	I563 L731 N754	I563-L752 HydrophobicContact CD1-CD2 3.99Å; I563-L752 HydrophobicContact CG2-CD2 3.91Å; I563-L752 HydrophobicContact CG2-CG 4.09Å; L731-L752 HydrophobicContact CB-CD2 4.19Å; L731-L752 HydrophobicContact CD1-CD2 3.65Å; L752-N754 VanDerWaalsContact C-N 3.28Å; L752-N754 PolarHBondContact O-N 3.3Å
753	L	88.7	Confident	85.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.			trans	-84.4	67.6	174.9	-58.4	175.3	0	0	0	110.9	L714 V717 I730 S734 F737 Y738 Y758 I759 K762	L714-L753 HydrophobicContact CD2-CD1 4.05Å; V717-L753 HydrophobicContact CG1-CB 3.66Å; V717-L753 HydrophobicContact CG1-CD1 4.39Å; V717-L753 VanDerWaalsContact CG1-O 3.26Å; V717-L753 WeakPolarHBondContact CG1-O 3.42Å; V717-L753 HydrophobicContact CG2-CD1 4.1Å; I730-L753 WeakPolarHBondContact CG2-O 3.4Å; S734-L753 WeakPolarHBondContact OG-CB 3.41Å; S734-L753 PolarHBondContact OG-N 3.39Å; S734-L753 VanDerWaalsContact OG-N 3.11Å; F737-L753 HydrophobicContact CB-CD1 3.93Å; F737-L753 HydrophobicContact CD1-CD1 3.8Å; F737-L753 HydrophobicContact CG-CD1 3.9Å; Y738-L753 HydrophobicContact CE2-CG 4.29Å; Y738-L753 WeakPolarHBondContact OH-CD2 3.44Å; L753-Y758 HydrophobicContact CD2-CD1 3.65Å; L753-Y758 HydrophobicContact CD2-CE1 3.57Å; L753-I759 HydrophobicContact CB-CG1 4.48Å; L753-K762 HydrophobicContact CD2-CG 4.3Å
754	N	86.6	Confident	85.7	Confident	99 Å²	99	57.2 Å²	57.2	53%	0.529	30%	0.295	S	S	.	.			trans	-109.8	-1.7	-177.2	68.1	-7.3	0	0	0	114.5	I730 L752	I730-N754 HydrophobicContact CG2-CB 4.44Å; L752-N754 VanDerWaalsContact C-N 3.28Å; L752-N754 PolarHBondContact O-N 3.3Å
755	N	86.5	Confident	85.9	Confident	74 Å²	74	54.5 Å²	54.5	40%	0.396	28%	0.28	S	S	.	.			trans	-114.9	131.8	179.6	-177.9	0.1	0	0	0	110.2	D757 Y758 I759	N755-D757 VanDerWaalsContact C-N 3.32Å; N755-D757 PolarHBondContact O-N 3.38Å; N755-D757 PolarHBondContact OD1-N 2.96Å; N755-Y758 PolarHBondContact O-N 3.25Å; N755-I759 VanDerWaalsContact O-CG1 3.31Å; N755-I759 WeakPolarHBondContact O-CG1 3.33Å; N755-I759 PolarHBondContact O-N 2.95Å
756	L	84.6	Confident	86	Confident	70 Å²	70	53.5 Å²	53.5	37%	0.366	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-40.4	175.7	-66.7	177.3	0	0	0	112.6	Q718 V721 Y758 I759 Q760 T888	Q718-L756 HydrophobicContact CG-CD2 4.19Å; V721-L756 HydrophobicContact CG1-CD2 4.14Å; V721-L756 HydrophobicContact CG1-CG 4.34Å; L756-Y758 VanDerWaalsContact C-N 3.28Å; L756-Y758 PolarHBondContact O-N 3.31Å; L756-I759 HydrophobicContact CD2-CD1 4.42Å; L756-I759 PolarHBondContact O-N 3.38Å; L756-Q760 PolarHBondContact O-N 2.95Å; L756-T888 HydrophobicContact CD2-CG2 4.15Å
757	D	85.6	Confident	86.1	Confident	112 Å²	112	54.4 Å²	54.4	60%	0.599	28%	0.275	S	S	*	.	H	α-helix	trans	-64.9	-38	178.6	-60.3	-24.6	0	0	0	111	N755 Q760 A761	N755-D757 VanDerWaalsContact C-N 3.32Å; N755-D757 PolarHBondContact O-N 3.38Å; N755-D757 PolarHBondContact OD1-N 2.96Å; D757-Q760 PolarHBondContact O-N 3.26Å; D757-A761 PolarHBondContact O-N 2.9Å
758	Y	87.3	Confident	86.6	Confident	58 Å²	58	49.2 Å²	49.2	23%	0.227	25%	0.25	C	C	.	.	H	α-helix	trans	-71.7	-36.5	178.4	-167.7	-119.7	0	0	0	111.6	Y738 P751 L753 N755 L756 A761 K762	Y738-Y758 WeakPolarHBondContact OH-CE1 3.36Å; P751-Y758 HydrophobicContact CB-CE1 4.4Å; P751-Y758 HydrophobicContact CG-CE1 3.9Å; P751-Y758 WeakPolarHBondContact CG-OH 3.28Å; L753-Y758 HydrophobicContact CD2-CD1 3.65Å; L753-Y758 HydrophobicContact CD2-CE1 3.57Å; N755-Y758 PolarHBondContact O-N 3.25Å; L756-Y758 VanDerWaalsContact C-N 3.28Å; L756-Y758 PolarHBondContact O-N 3.31Å; Y758-A761 PolarHBondContact O-N 2.82Å; Y758-K762 WeakPolarHBondContact O-CG 3.31Å; Y758-K762 PolarHBondContact O-N 3.21Å; Y758-K762 VanDerWaalsContact O-N 3.16Å; Y758-K762 VanDerWaalsContact OH-CE 3.23Å; Y758-K762 WeakPolarHBondContact OH-CE 3.2Å
759	I	88	Confident	86.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-46.9	171.5	-66	161.6	0	0	0	109.6	V717 V721 L753 N755 L756 A761 K762 V763	V717-I759 HydrophobicContact CG1-CD1 3.68Å; V717-I759 HydrophobicContact CG1-CG1 4.05Å; V721-I759 HydrophobicContact CG2-CD1 4.12Å; L753-I759 HydrophobicContact CB-CG1 4.48Å; N755-I759 VanDerWaalsContact O-CG1 3.31Å; N755-I759 WeakPolarHBondContact O-CG1 3.33Å; N755-I759 PolarHBondContact O-N 2.95Å; L756-I759 HydrophobicContact CD2-CD1 4.42Å; L756-I759 PolarHBondContact O-N 3.38Å; I759-A761 VanDerWaalsContact C-N 3.33Å; I759-A761 PolarHBondContact O-N 2.84Å; I759-K762 CarbonylContact O-C 3.3Å; I759-K762 WeakPolarHBondContact O-CA 3.32Å; I759-K762 PolarHBondContact O-N 3.34Å; I759-V763 HydrophobicContact CG2-CG2 4.42Å; I759-V763 WeakPolarHBondContact O-CG2 3.15Å; I759-V763 PolarHBondContact O-N 3.24Å
760	Q	85.1	Confident	86.7	Confident	79 Å²	79	38 Å²	38	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-57	-44.3	176.8	178	175.4	-3.9	0	0	112	L756 D757 K762 V763 E764 G889	L756-Q760 PolarHBondContact O-N 2.95Å; D757-Q760 PolarHBondContact O-N 3.26Å; Q760-K762 PolarHBondContact O-N 3.09Å; Q760-V763 WeakPolarHBondContact O-CB 3.4Å; Q760-V763 PolarHBondContact O-N 3.31Å; Q760-V763 VanDerWaalsContact O-N 3.1Å; Q760-E764 PolarHBondContact O-N 3.16Å; Q760-G889 PolarHBondContact NE2-O 3.25Å
761	A	87.3	Confident	86.5	Confident	44 Å²	44	38.9 Å²	38.9	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-59.7	-35.5	175.4	0	0	0	0	0	112.5	D757 Y758 I759 M765	D757-A761 PolarHBondContact O-N 2.9Å; Y758-A761 PolarHBondContact O-N 2.82Å; I759-A761 VanDerWaalsContact C-N 3.33Å; I759-A761 PolarHBondContact O-N 2.84Å; A761-M765 WeakPolarHBondContact O-CB 3.33Å; A761-M765 PolarHBondContact O-N 3.33Å
762	K	88.9	Confident	86.2	Confident	11 Å²	11	36.6 Å²	36.6	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-75.5	-27.5	175.6	-64.5	-58.9	177.1	-176.2	0	113.2	E691 L714 F737 H743 L753 Y758 I759 Q760 M765 L766	E691-K762 IonicContact OE2-NZ 2.76Å; L714-K762 HydrophobicContact CD1-CB 4.11Å; L714-K762 HydrophobicContact CD2-CB 4.28Å; F737-K762 HydrophobicContact CE1-CB 4.4Å; F737-K762 HydrophobicContact CE1-CD 4.24Å; F737-K762 HydrophobicContact CE1-CG 4.24Å; F737-K762 HydrophobicContact CZ-CB 4.01Å; F737-K762 HydrophobicContact CZ-CD 4.41Å; F737-K762 HydrophobicContact CZ-CG 4.33Å; H743-K762 PolarHBondContact CD2-NZ 2.92Å; H743-K762 VanDerWaalsContact CD2-NZ 3.27Å; H743-K762 PolarHBondContact NE2-NZ 3.14Å; L753-K762 HydrophobicContact CD2-CG 4.3Å; Y758-K762 WeakPolarHBondContact O-CG 3.31Å; Y758-K762 PolarHBondContact O-N 3.21Å; Y758-K762 VanDerWaalsContact O-N 3.16Å; Y758-K762 VanDerWaalsContact OH-CE 3.23Å; Y758-K762 WeakPolarHBondContact OH-CE 3.2Å; I759-K762 CarbonylContact O-C 3.3Å; I759-K762 WeakPolarHBondContact O-CA 3.32Å; I759-K762 PolarHBondContact O-N 3.34Å; Q760-K762 PolarHBondContact O-N 3.09Å; K762-M765 HydrophobicContact CD-CE 4.14Å; K762-M765 HydrophobicContact CD-SD 4Å; K762-M765 WeakPolarHBondContact O-CB 3.45Å; K762-L766 WeakPolarHBondContact O-CG 3.48Å; K762-L766 PolarHBondContact O-N 2.95Å; K762-L766 VanDerWaalsContact O-N 3.13Å
763	V	87.8	Confident	85.7	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-48.9	170.8	178.9	0	0	0	0	110.4	Y711 L714 I759 Q760 M765 L766 D767 P886	Y711-V763 HydrophobicContact CE1-CG1 4.19Å; L714-V763 HydrophobicContact CD1-CG2 3.85Å; I759-V763 HydrophobicContact CG2-CG2 4.42Å; I759-V763 WeakPolarHBondContact O-CG2 3.15Å; I759-V763 PolarHBondContact O-N 3.24Å; Q760-V763 WeakPolarHBondContact O-CB 3.4Å; Q760-V763 PolarHBondContact O-N 3.31Å; Q760-V763 VanDerWaalsContact O-N 3.1Å; V763-M765 PolarHBondContact O-N 3.25Å; V763-L766 PolarHBondContact O-N 2.96Å; V763-D767 PolarHBondContact O-N 3.05Å; V763-P886 HydrophobicContact CB-CG 4.39Å; V763-P886 HydrophobicContact CG1-CG 4.31Å; V763-P886 HydrophobicContact CG2-CG 3.16Å
764	E	85.6	Confident	85.4	Confident	67 Å²	67	36.9 Å²	36.9	31%	0.313	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-39.9	176.4	-166.6	-162.5	141.2	0	0	110.9	Q760 L766 D767 N768 R866 H910	Q760-E764 PolarHBondContact O-N 3.16Å; E764-L766 PolarHBondContact O-N 3.29Å; E764-D767 PolarHBondContact O-N 3.28Å; E764-N768 PolarHBondContact O-N 3.29Å; E764-N768 PolarHBondContact O-ND2 2.84Å; E764-R866 IonicContact OE1-NE 3.91Å; E764-R866 IonicContact OE1-NH2 3.28Å; E764-R866 PolarHBondContact OE1-NH2 3.11Å; E764-H910 IonicContact OE1-CE1 2.84Å; E764-H910 IonicContact OE1-NE2 2.59Å; E764-H910 PolarHBondContact OE1-NE2 2.66Å
765	M	88.1	Confident	85.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-47.4	172.5	176.3	-166.7	82.4	0	0	112.2	F690 I692 F737 I741 A761 K762 V763 D767 N768 L769	F690-M765 HydrophobicContact CB-CB 4.5Å; F690-M765 HydrophobicContact CB-CG 3.7Å; F690-M765 HydrophobicContact CB-SD 4.04Å; F690-M765 HydrophobicContact CD1-CB 3.77Å; F690-M765 HydrophobicContact CD1-CG 3.9Å; F690-M765 HydrophobicContact CD2-CG 4.31Å; F690-M765 HydrophobicContact CE1-CB 4.16Å; F690-M765 HydrophobicContact CG-CB 4.11Å; F690-M765 HydrophobicContact CG-CG 3.72Å; I692-M765 HydrophobicContact CD1-CG 3.98Å; I692-M765 HydrophobicContact CD1-SD 3.95Å; I692-M765 HydrophobicContact CG1-SD 4.22Å; F737-M765 HydrophobicContact CZ-CE 3.95Å; I741-M765 HydrophobicContact CG2-CE 4.09Å; A761-M765 WeakPolarHBondContact O-CB 3.33Å; A761-M765 PolarHBondContact O-N 3.33Å; K762-M765 HydrophobicContact CD-CE 4.14Å; K762-M765 HydrophobicContact CD-SD 4Å; K762-M765 WeakPolarHBondContact O-CB 3.45Å; V763-M765 PolarHBondContact O-N 3.25Å; M765-D767 VanDerWaalsContact C-N 3.33Å; M765-D767 PolarHBondContact O-N 3.16Å; M765-N768 PolarHBondContact O-N 2.87Å; M765-L769 HydrophobicContact CE-CD1 4.43Å; M765-L769 HydrophobicContact CG-CD1 4.25Å; M765-L769 WeakPolarHBondContact O-CG 3.29Å; M765-L769 PolarHBondContact O-N 2.79Å
766	L	87.4	Confident	84.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178.6	-69.1	-179	0	0	0	112.1	A710 Y711 L714 F737 I741 K762 V763 E764 L769 L770	A710-L766 HydrophobicContact CB-CD1 3.86Å; A710-L766 HydrophobicContact CB-CD2 4.09Å; Y711-L766 HydrophobicContact CD1-CB 4.3Å; Y711-L766 HydrophobicContact CD1-CD1 3.71Å; Y711-L766 HydrophobicContact CD2-CD1 4.34Å; Y711-L766 HydrophobicContact CE1-CB 3.61Å; Y711-L766 HydrophobicContact CE1-CD1 3.9Å; Y711-L766 HydrophobicContact CE1-CG 4.43Å; Y711-L766 HydrophobicContact CE2-CB 4.11Å; Y711-L766 HydrophobicContact CE2-CD1 4.5Å; Y711-L766 HydrophobicContact CG-CD1 3.94Å; Y711-L766 VanDerWaalsContact CZ-CB 3.49Å; Y711-L766 PolarHBondContact OH-O 3.25Å; L714-L766 HydrophobicContact CD1-CD1 3.61Å; L714-L766 HydrophobicContact CD1-CG 4.41Å; F737-L766 HydrophobicContact CE2-CD1 4.39Å; I741-L766 HydrophobicContact CD1-CD2 4.28Å; I741-L766 HydrophobicContact CG1-CD2 4.24Å; K762-L766 WeakPolarHBondContact O-CG 3.48Å; K762-L766 PolarHBondContact O-N 2.95Å; K762-L766 VanDerWaalsContact O-N 3.13Å; V763-L766 PolarHBondContact O-N 2.96Å; E764-L766 PolarHBondContact O-N 3.29Å; L766-L769 HydrophobicContact CD2-CD1 4.3Å; L766-L769 PolarHBondContact O-N 3.29Å; L766-L770 WeakPolarHBondContact O-CB 3.36Å; L766-L770 PolarHBondContact O-N 3.21Å
767	D	84.6	Confident	84.5	Confident	42 Å²	42	28.1 Å²	28.1	23%	0.225	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-49.3	176.3	-70.6	-14.4	0	0	0	110.2	Y711 V763 E764 M765 L769 L770 D771 Y890	Y711-D767 VanDerWaalsContact OH-CA 3.25Å; Y711-D767 WeakPolarHBondContact OH-CA 3.47Å; Y711-D767 PolarHBondContact OH-N 3.41Å; Y711-D767 PolarHBondContact OH-OD1 2.99Å; V763-D767 PolarHBondContact O-N 3.05Å; E764-D767 PolarHBondContact O-N 3.28Å; M765-D767 VanDerWaalsContact C-N 3.33Å; M765-D767 PolarHBondContact O-N 3.16Å; D767-L769 PolarHBondContact O-N 3.21Å; D767-L770 PolarHBondContact O-N 3.35Å; D767-D771 PolarHBondContact O-N 3Å; D767-Y890 PolarHBondContact OD2-OH 3.47Å
768	N	84.9	Confident	84.2	Confident	6 Å²	6	24.5 Å²	24.5	3%	0.032	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-38.8	177.3	-71.2	-61.9	0	0	0	112.4	F690 E764 M765 L770 D771 I772 R866 N869	F690-N768 HydrophobicContact CE2-CB 3.88Å; F690-N768 HydrophobicContact CZ-CB 4.17Å; F690-N768 VanDerWaalsContact CZ-ND2 3.32Å; F690-N768 WeakPolarHBondContact CZ-ND2 3.46Å; E764-N768 PolarHBondContact O-N 3.29Å; E764-N768 PolarHBondContact O-ND2 2.84Å; M765-N768 PolarHBondContact O-N 2.87Å; N768-L770 VanDerWaalsContact C-N 3.34Å; N768-D771 PolarHBondContact O-N 2.87Å; N768-I772 WeakPolarHBondContact O-CB 3.19Å; N768-I772 VanDerWaalsContact O-CG1 3.23Å; N768-I772 WeakPolarHBondContact O-CG1 3.46Å; N768-I772 PolarHBondContact O-N 3.07Å; N768-R866 WeakPolarHBondContact OD1-CD 3.41Å; N768-N869 PolarHBondContact OD1-ND2 3.15Å; N768-N869 PolarHBondContact OD1-OD1 3.33Å
769	L	83.8	Confident	83.7	Confident	15 Å²	15	21.8 Å²	21.8	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-39.2	175.9	-76	174.9	0	0	0	112.6	M687 I692 M765 L766 D767 I772 E773	M687-L769 HydrophobicContact CE-CD2 3.87Å; M687-L769 HydrophobicContact CG-CD2 4.17Å; M687-L769 HydrophobicContact SD-CD2 4.48Å; I692-L769 HydrophobicContact CD1-CD1 3.61Å; I692-L769 HydrophobicContact CD1-CD2 3.61Å; I692-L769 HydrophobicContact CD1-CG 3.88Å; M765-L769 HydrophobicContact CE-CD1 4.43Å; M765-L769 HydrophobicContact CG-CD1 4.25Å; M765-L769 WeakPolarHBondContact O-CG 3.29Å; M765-L769 PolarHBondContact O-N 2.79Å; L766-L769 HydrophobicContact CD2-CD1 4.3Å; L766-L769 PolarHBondContact O-N 3.29Å; D767-L769 PolarHBondContact O-N 3.21Å; L769-I772 PolarHBondContact O-N 3.1Å; L769-E773 WeakPolarHBondContact O-CB 3.39Å; L769-E773 PolarHBondContact O-N 3.21Å
770	L	84.3	Confident	82.9	Confident	22 Å²	22	24.5 Å²	24.5	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-40.9	176.9	-174.5	66.7	0	0	0	111.1	K704 I707 L766 D767 N768 E773 V774	K704-L770 HydrophobicContact CG-CD1 4.28Å; I707-L770 HydrophobicContact CD1-CB 4.42Å; I707-L770 HydrophobicContact CD1-CD1 3.99Å; I707-L770 HydrophobicContact CG2-CD1 4.49Å; L766-L770 WeakPolarHBondContact O-CB 3.36Å; L766-L770 PolarHBondContact O-N 3.21Å; D767-L770 PolarHBondContact O-N 3.35Å; N768-L770 VanDerWaalsContact C-N 3.34Å; L770-E773 PolarHBondContact O-N 3.37Å; L770-V774 WeakPolarHBondContact O-CG2 3.35Å; L770-V774 PolarHBondContact O-N 3.42Å
771	D	83.4	Confident	81.8	Confident	20 Å²	20	22.9 Å²	22.9	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-40.9	175.4	-78.2	-29.4	0	0	0	112.4	D767 N768 E773 V774 A775 N869 R879	D767-D771 PolarHBondContact O-N 3Å; N768-D771 PolarHBondContact O-N 2.87Å; D771-E773 VanDerWaalsContact C-N 3.35Å; D771-V774 PolarHBondContact O-N 3.15Å; D771-A775 WeakPolarHBondContact O-CB 3.49Å; D771-A775 PolarHBondContact O-N 3.41Å; D771-N869 HydrophobicContact CB-CB 3.99Å; D771-N869 WeakPolarHBondContact OD2-CB 3.38Å; D771-N869 PolarHBondContact OD2-ND2 3.06Å; D771-R879 IonicContact OD1-CZ 2.91Å; D771-R879 IonicContact OD1-NH2 3.96Å; D771-R879 PolarHBondContact OD1-NH2 2.93Å
772	I	82.2	Confident	80.5	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-40.6	174.6	-69.5	167	0	0	0	110.9	M683 M687 L699 N768 L769 A775 Y776	M683-I772 HydrophobicContact CB-CG2 4.43Å; M683-I772 HydrophobicContact SD-CG2 4.49Å; M687-I772 HydrophobicContact CG-CD1 4.01Å; M687-I772 HydrophobicContact SD-CG2 4.48Å; L699-I772 HydrophobicContact CD2-CG2 3.59Å; N768-I772 WeakPolarHBondContact O-CB 3.19Å; N768-I772 VanDerWaalsContact O-CG1 3.23Å; N768-I772 WeakPolarHBondContact O-CG1 3.46Å; N768-I772 PolarHBondContact O-N 3.07Å; L769-I772 PolarHBondContact O-N 3.1Å; I772-A775 PolarHBondContact O-N 3.26Å; I772-Y776 WeakPolarHBondContact O-CB 3.43Å; I772-Y776 PolarHBondContact O-N 3.05Å
773	E	79.9	Confident	78.7	Confident	37 Å²	37	27 Å²	27	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-46.3	175.1	-172.6	-76.2	137.6	0	0	110.9	L769 L770 D771 A775 Y776 S777	L769-E773 WeakPolarHBondContact O-CB 3.39Å; L769-E773 PolarHBondContact O-N 3.21Å; L770-E773 PolarHBondContact O-N 3.37Å; D771-E773 VanDerWaalsContact C-N 3.35Å; E773-A775 PolarHBondContact O-N 3.21Å; E773-Y776 PolarHBondContact O-N 2.92Å; E773-S777 WeakPolarHBondContact O-CB 3.44Å; E773-S777 PolarHBondContact O-N 3.16Å; E773-S777 PolarHBondContact O-OG 3.44Å; E773-S777 PolarHBondContact OE1-OG 3.08Å
774	V	81.6	Confident	77.1	Confident	10 Å²	10	33.6 Å²	33.6	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-47.5	175.5	168.4	0	0	0	0	111.3	L770 D771 Y776 S777 L778	L770-V774 WeakPolarHBondContact O-CG2 3.35Å; L770-V774 PolarHBondContact O-N 3.42Å; D771-V774 PolarHBondContact O-N 3.15Å; V774-Y776 VanDerWaalsContact C-N 3.27Å; V774-Y776 PolarHBondContact O-N 2.96Å; V774-S777 PolarHBondContact O-N 3.45Å; V774-L778 HydrophobicContact CG1-CD1 4.16Å; V774-L778 WeakPolarHBondContact O-CG 3.27Å; V774-L778 PolarHBondContact O-N 3.36Å
775	A	81.4	Confident	75.7	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-41.3	178.2	0	0	0	0	0	111.5	M683 D771 I772 E773 L778 L779 A871	M683-A775 HydrophobicContact CE-CB 3.86Å; M683-A775 HydrophobicContact SD-CB 4.44Å; D771-A775 WeakPolarHBondContact O-CB 3.49Å; D771-A775 PolarHBondContact O-N 3.41Å; I772-A775 PolarHBondContact O-N 3.26Å; E773-A775 PolarHBondContact O-N 3.21Å; A775-L778 PolarHBondContact O-N 2.95Å; A775-L779 PolarHBondContact O-N 3.47Å; A775-A871 HydrophobicContact CB-CB 3.69Å
776	Y	77.6	Confident	74.4	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-69.8	-39.5	177.7	-152.9	-92.4	0	0	0	112.3	V653 L699 I772 E773 V774 L778 L779 R780	V653-Y776 HydrophobicContact CG1-CE2 4.04Å; V653-Y776 HydrophobicContact CG2-CE1 4.07Å; V653-Y776 HydrophobicContact CG2-CE2 4.3Å; L699-Y776 HydrophobicContact CB-CD2 3.85Å; L699-Y776 HydrophobicContact CB-CE2 3.62Å; L699-Y776 HydrophobicContact CD1-CE2 4.14Å; I772-Y776 WeakPolarHBondContact O-CB 3.43Å; I772-Y776 PolarHBondContact O-N 3.05Å; E773-Y776 PolarHBondContact O-N 2.92Å; V774-Y776 VanDerWaalsContact C-N 3.27Å; V774-Y776 PolarHBondContact O-N 2.96Å; Y776-L778 VanDerWaalsContact C-N 3.33Å; Y776-L779 WeakPolarHBondContact O-CB 3.47Å; Y776-L779 PolarHBondContact O-N 3.36Å; Y776-L779 VanDerWaalsContact O-N 3.16Å; Y776-R780 HydrophobicContact CD1-CG 4.13Å; Y776-R780 VanDerWaalsContact CD1-NH2 3.26Å; Y776-R780 HydrophobicContact CE1-CG 4.18Å; Y776-R780 WeakPolarHBondContact O-CG 3.32Å; Y776-R780 PolarHBondContact O-N 3.03Å
777	S	79.1	Confident	73.3	Confident	48 Å²	48	49.2 Å²	49.2	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-36.9	175.7	-80.8	0	0	0	0	112	E773 V774 R780 G781	E773-S777 WeakPolarHBondContact O-CB 3.44Å; E773-S777 PolarHBondContact O-N 3.16Å; E773-S777 PolarHBondContact O-OG 3.44Å; E773-S777 PolarHBondContact OE1-OG 3.08Å; V774-S777 PolarHBondContact O-N 3.45Å; S777-R780 PolarHBondContact O-N 3.26Å; S777-G781 PolarHBondContact O-N 2.77Å
778	L	79.4	Confident	72.6	Confident	35 Å²	35	51.6 Å²	51.6	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-45	169.2	-67.7	166	0	0	0	111.2	F678 V774 A775 Y776 R780 G781 K797 S875	F678-L778 HydrophobicContact CE1-CB 4.48Å; V774-L778 HydrophobicContact CG1-CD1 4.16Å; V774-L778 WeakPolarHBondContact O-CG 3.27Å; V774-L778 PolarHBondContact O-N 3.36Å; A775-L778 PolarHBondContact O-N 2.95Å; Y776-L778 VanDerWaalsContact C-N 3.33Å; L778-R780 VanDerWaalsContact C-N 3.27Å; L778-R780 PolarHBondContact O-N 2.97Å; L778-G781 PolarHBondContact O-N 2.91Å; L778-K797 VanDerWaalsContact O-CD 3.31Å; L778-K797 WeakPolarHBondContact O-CD 3.23Å; L778-K797 PolarHBondContact O-NZ 3.49Å; L778-S875 VanDerWaalsContact CD1-OG 3.23Å; L778-S875 WeakPolarHBondContact CD1-OG 3.37Å
779	L	76.7	Confident	72.3	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-37	179.6	-163.4	61.5	0	0	0	111.7	V653 L656 T657 F678 V680 A775 Y776 N794 K797	V653-L779 HydrophobicContact CB-CD2 4.35Å; V653-L779 HydrophobicContact CG1-CD2 3.56Å; V653-L779 HydrophobicContact CG1-CG 4.42Å; V653-L779 HydrophobicContact CG2-CD2 4.21Å; V653-L779 HydrophobicContact CG2-CG 4.31Å; L656-L779 HydrophobicContact CB-CD1 4.13Å; L656-L779 WeakPolarHBondContact CD1-O 3.44Å; T657-L779 HydrophobicContact CG2-CD2 4.1Å; F678-L779 HydrophobicContact CD1-CD1 4.05Å; V680-L779 HydrophobicContact CG2-CD2 3.95Å; A775-L779 PolarHBondContact O-N 3.47Å; Y776-L779 WeakPolarHBondContact O-CB 3.47Å; Y776-L779 PolarHBondContact O-N 3.36Å; Y776-L779 VanDerWaalsContact O-N 3.16Å; L779-N794 WeakPolarHBondContact CD1-OD1 3.44Å; L779-K797 PolarHBondContact O-NZ 3.48Å
780	R	71.9	Confident	72.1	Confident	57 Å²	57	52.3 Å²	52.3	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-72.7	-40.1	173.3	-68.8	-173.6	-158	165.9	5.6	114.1	D645 V653 G700 Y776 S777 L778 G782	D645-R780 IonicContact OD2-NH1 3Å; V653-R780 HydrophobicContact CG2-CG 4.35Å; G700-R780 PolarHBondContact O-NH1 3.25Å; G700-R780 PolarHBondContact O-NH2 3.4Å; Y776-R780 HydrophobicContact CD1-CG 4.13Å; Y776-R780 VanDerWaalsContact CD1-NH2 3.26Å; Y776-R780 HydrophobicContact CE1-CG 4.18Å; Y776-R780 WeakPolarHBondContact O-CG 3.32Å; Y776-R780 PolarHBondContact O-N 3.03Å; S777-R780 PolarHBondContact O-N 3.26Å; L778-R780 VanDerWaalsContact C-N 3.27Å; L778-R780 PolarHBondContact O-N 2.97Å; R780-G782 PolarHBondContact O-N 3.13Å
781	G	61.9	Low	72.1	Confident	44 Å²	44	51.9 Å²	51.9	45%	0.454	30%	0.299	S	S	.	.			trans	-76.3	111.7	-172.9	0	0	0	0	0	112.4	S777 L778 K797	S777-G781 PolarHBondContact O-N 2.77Å; L778-G781 PolarHBondContact O-N 2.91Å; G781-K797 WeakPolarHBondContact O-CE 3.28Å; G781-K797 PolarHBondContact O-NZ 2.88Å
782	G	59.6	Low	72.2	Confident	53 Å²	53	52.2 Å²	52.2	55%	0.546	30%	0.301	S	S	.	.	S	Bend	trans	162.3	151.5	173.7	0	0	0	0	0	112	R780	R780-G782 PolarHBondContact O-N 3.13Å
783	A	52.4	Low	72.3	Confident	90 Å²	90	53 Å²	53	74%	0.744	31%	0.305	S	S	*	.			trans	-65.1	135.2	172.6	0	0	0	0	0	109.4	D785	A783-D785 PolarHBondContact O-N 3.1Å
784	Q	53.8	Low	72.6	Confident	141 Å²	141	51.6 Å²	51.6	66%	0.659	30%	0.298	S	S	*	.			trans	-71.2	88.2	170.1	-72.6	-171.8	11.8	0	0	108.2
785	D	55.9	Low	72.9	Confident	68 Å²	68	52.9 Å²	52.9	36%	0.364	30%	0.303	S	S	.	.			trans	-97.7	121	172.3	-164.7	6.9	0	0	0	109.1	A783 E787 H788	A783-D785 PolarHBondContact O-N 3.1Å; D785-E787 VanDerWaalsContact C-N 3.28Å; D785-E787 PolarHBondContact OD1-N 3.17Å; D785-H788 IonicContact OD2-CE1 2.98Å; D785-H788 IonicContact OD2-ND1 3.56Å; D785-H788 PolarHBondContact OD2-ND1 3.28Å
786	N	60	Low	73.3	Confident	159 Å²	159	58.9 Å²	58.9	85%	0.85	33%	0.33	S	S	*	.	S	Bend	trans	-85.2	-4.3	179.3	-76.4	-32.1	0	0	0	112
787	E	64.4	Low	73.7	Confident	169 Å²	169	59.8 Å²	59.8	79%	0.79	33%	0.334	S	S	*	.	S	Bend	trans	-80.8	-30.6	-179.9	-68.6	-167.2	158.3	0	0	113.3	D785	D785-E787 VanDerWaalsContact C-N 3.28Å; D785-E787 PolarHBondContact OD1-N 3.17Å
788	H	70.8	Confident	74.2	Confident	92 Å²	92	57.5 Å²	57.5	43%	0.426	32%	0.318	S	S	.	.	S	Bend	trans	-99.8	148.4	-174.2	-66.6	84.9	0	0	0	112.6	D785 I793	D785-H788 IonicContact OD2-CE1 2.98Å; D785-H788 IonicContact OD2-ND1 3.56Å; D785-H788 PolarHBondContact OD2-ND1 3.28Å; H788-I793 HydrophobicContact CB-CD1 4.15Å; H788-I793 HydrophobicContact CB-CG1 3.9Å
789	D	79.4	Confident	74.8	Confident	10 Å²	10	62 Å²	62	5%	0.053	34%	0.337	C	S	.	.			trans	-66.6	135.5	176.4	-167.1	-60.2	0	0	0	109.5	A660 S664 I791 D792 I793	A660-D789 VanDerWaalsContact O-OD1 3.1Å; S664-D789 PolarHBondContact N-OD2 3.04Å; D789-I791 PolarHBondContact O-N 3.3Å; D789-I791 PolarHBondContact OD1-N 3.3Å; D789-D792 HydrophobicContact CB-CB 4.48Å; D789-D792 WeakPolarHBondContact O-CB 3.13Å; D789-D792 PolarHBondContact O-N 3.42Å; D789-I793 PolarHBondContact O-N 3.29Å; D789-I793 VanDerWaalsContact O-N 3.09Å
790	P	79.4	Confident	75.5	Confident	27 Å²	27	62.3 Å²	62.3	18%	0.175	34%	0.339	C	S	.	.	H	α-helix	trans	-50.4	-32.5	177.2	-29.5	34.9	0	0	0	114.7	A660 N794	A660-P790 HydrophobicContact CB-CG 4.43Å; P790-N794 WeakPolarHBondContact O-CB 3.46Å; P790-N794 PolarHBondContact O-N 2.84Å; P790-N794 PolarHBondContact O-ND2 3.25Å
791	I	83	Confident	76.6	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.062	35%	0.354	C	S	.	.	H	α-helix	trans	-67.4	-41.7	177.3	-61.4	176.6	0	0	0	110.7	A660 L666 Q671 I674 K675 D789 N794 Y795	A660-I791 WeakPolarHBondContact O-CD1 3.44Å; L666-I791 HydrophobicContact CD1-CG2 4.42Å; Q671-I791 HydrophobicContact CB-CD1 4.33Å; Q671-I791 HydrophobicContact CB-CG2 4.31Å; Q671-I791 HydrophobicContact CG-CG2 4.25Å; I674-I791 HydrophobicContact CB-CG2 4.11Å; I674-I791 HydrophobicContact CG1-CG2 4.49Å; I674-I791 HydrophobicContact CG2-CG2 4.01Å; K675-I791 HydrophobicContact CG-CD1 4.47Å; D789-I791 PolarHBondContact O-N 3.3Å; D789-I791 PolarHBondContact OD1-N 3.3Å; I791-N794 PolarHBondContact O-N 2.95Å; I791-Y795 WeakPolarHBondContact O-CB 3.44Å; I791-Y795 PolarHBondContact O-N 3.08Å
792	D	85.1	Confident	78.1	Confident	27 Å²	27	63.7 Å²	63.7	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-42	179.7	-63.3	-23.8	0	0	0	110.3	S664 L666 D789 N794 Y795 E796	S664-D792 WeakPolarHBondContact CA-OD2 3.47Å; S664-D792 WeakPolarHBondContact CB-OD1 3.24Å; S664-D792 PolarHBondContact OG-OD1 3.46Å; L666-D792 VanDerWaalsContact CD1-OD1 3.28Å; L666-D792 WeakPolarHBondContact CD1-OD1 3.31Å; L666-D792 WeakPolarHBondContact CG-OD1 3.16Å; D789-D792 HydrophobicContact CB-CB 4.48Å; D789-D792 WeakPolarHBondContact O-CB 3.13Å; D789-D792 PolarHBondContact O-N 3.42Å; D792-N794 VanDerWaalsContact C-N 3.34Å; D792-N794 PolarHBondContact O-N 2.97Å; D792-Y795 WeakPolarHBondContact O-CB 3.49Å; D792-Y795 PolarHBondContact O-N 3.38Å; D792-E796 WeakPolarHBondContact O-CG 3.04Å; D792-E796 PolarHBondContact O-N 3.45Å
793	I	84.6	Confident	79.8	Confident	22 Å²	22	64.8 Å²	64.8	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-45.9	174.6	-64.7	170.8	0	0	0	110.8	L656 H788 D789 Y795 E796 K797	L656-I793 HydrophobicContact CD2-CG2 4.4Å; H788-I793 HydrophobicContact CB-CD1 4.15Å; H788-I793 HydrophobicContact CB-CG1 3.9Å; D789-I793 PolarHBondContact O-N 3.29Å; D789-I793 VanDerWaalsContact O-N 3.09Å; I793-Y795 VanDerWaalsContact C-N 3.33Å; I793-E796 PolarHBondContact O-N 2.89Å; I793-K797 HydrophobicContact CG2-CD 4.35Å; I793-K797 WeakPolarHBondContact O-CD 3.42Å; I793-K797 VanDerWaalsContact O-CG 3.25Å; I793-K797 WeakPolarHBondContact O-CG 3.44Å; I793-K797 PolarHBondContact O-N 3.41Å
794	N	85.9	Confident	81.7	Confident	6 Å²	6	63 Å²	63	3%	0.032	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-34.3	178.3	-69.2	-24.6	0	0	0	112.3	L656 I674 F678 L779 P790 I791 D792	L656-N794 PolarHBondContact O-ND2 3Å; I674-N794 HydrophobicContact CG2-CB 3.9Å; F678-N794 HydrophobicContact CD2-CB 4.08Å; F678-N794 HydrophobicContact CE2-CB 4.05Å; L779-N794 WeakPolarHBondContact CD1-OD1 3.44Å; P790-N794 WeakPolarHBondContact O-CB 3.46Å; P790-N794 PolarHBondContact O-N 2.84Å; P790-N794 PolarHBondContact O-ND2 3.25Å; I791-N794 PolarHBondContact O-N 2.95Å; D792-N794 VanDerWaalsContact C-N 3.34Å; D792-N794 PolarHBondContact O-N 2.97Å
795	Y	89.2	Confident	83.6	Confident	38 Å²	38	56.9 Å²	56.9	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-46.6	174.7	177	-97	0	0	0	112	L666 V670 I674 I791 D792 I793 K797 L798 T800 I802	L666-Y795 HydrophobicContact CD1-CD1 4.09Å; L666-Y795 HydrophobicContact CD1-CD2 4.04Å; L666-Y795 HydrophobicContact CD1-CG 3.72Å; L666-Y795 HydrophobicContact CD2-CD1 4.26Å; L666-Y795 HydrophobicContact CD2-CE1 4.15Å; V670-Y795 HydrophobicContact CG1-CD2 4.02Å; V670-Y795 HydrophobicContact CG1-CE2 3.9Å; I674-Y795 HydrophobicContact CD1-CD2 4.01Å; I674-Y795 HydrophobicContact CG1-CD2 4.25Å; I791-Y795 WeakPolarHBondContact O-CB 3.44Å; I791-Y795 PolarHBondContact O-N 3.08Å; D792-Y795 WeakPolarHBondContact O-CB 3.49Å; D792-Y795 PolarHBondContact O-N 3.38Å; I793-Y795 VanDerWaalsContact C-N 3.33Å; Y795-K797 VanDerWaalsContact C-N 3.28Å; Y795-K797 PolarHBondContact O-N 3.41Å; Y795-L798 WeakPolarHBondContact O-CB 3.46Å; Y795-L798 PolarHBondContact O-N 2.96Å; Y795-L798 VanDerWaalsContact O-N 3.1Å; Y795-T800 PolarHBondContact OH-O 3.09Å; Y795-I802 HydrophobicContact CD2-CD1 4.45Å; Y795-I802 HydrophobicContact CE2-CB 3.95Å; Y795-I802 HydrophobicContact CE2-CD1 3.99Å; Y795-I802 HydrophobicContact CE2-CG1 3.89Å; Y795-I802 PolarHBondContact OH-N 3.38Å
796	E	88.6	Confident	85.2	Confident	126 Å²	126	58.2 Å²	58.2	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-37.4	177.9	-73.4	179	179.1	0	0	112.5	D792 I793 L798 K799	D792-E796 WeakPolarHBondContact O-CG 3.04Å; D792-E796 PolarHBondContact O-N 3.45Å; I793-E796 PolarHBondContact O-N 2.89Å; E796-L798 PolarHBondContact O-N 2.85Å; E796-K799 PolarHBondContact O-N 3.3Å
797	K	87.3	Confident	86.4	Confident	29 Å²	29	55.4 Å²	55.4	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-25.9	176.8	-72	167.6	177.3	-156.4	0	113.7	L778 L779 G781 I793 Y795 K799	L778-K797 VanDerWaalsContact O-CD 3.31Å; L778-K797 WeakPolarHBondContact O-CD 3.23Å; L778-K797 PolarHBondContact O-NZ 3.49Å; L779-K797 PolarHBondContact O-NZ 3.48Å; G781-K797 WeakPolarHBondContact O-CE 3.28Å; G781-K797 PolarHBondContact O-NZ 2.88Å; I793-K797 HydrophobicContact CG2-CD 4.35Å; I793-K797 WeakPolarHBondContact O-CD 3.42Å; I793-K797 VanDerWaalsContact O-CG 3.25Å; I793-K797 WeakPolarHBondContact O-CG 3.44Å; I793-K797 PolarHBondContact O-N 3.41Å; Y795-K797 VanDerWaalsContact C-N 3.28Å; Y795-K797 PolarHBondContact O-N 3.41Å; K797-K799 PolarHBondContact O-N 3.4Å
798	L	89.3	Confident	87.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.9	174.9	-63.6	176.8	0	0	0	112.1	I674 I677 F678 Y795 E796 T800 I802 L874 S875	I674-L798 HydrophobicContact CD1-CD1 3.36Å; I677-L798 HydrophobicContact CD1-CD1 3.85Å; I677-L798 HydrophobicContact CD1-CD2 4.36Å; F678-L798 HydrophobicContact CE2-CD1 4.26Å; F678-L798 HydrophobicContact CE2-CD2 3.74Å; F678-L798 HydrophobicContact CE2-CG 4.04Å; F678-L798 HydrophobicContact CZ-CD2 3.66Å; F678-L798 HydrophobicContact CZ-CG 4.27Å; Y795-L798 WeakPolarHBondContact O-CB 3.46Å; Y795-L798 PolarHBondContact O-N 2.96Å; Y795-L798 VanDerWaalsContact O-N 3.1Å; E796-L798 PolarHBondContact O-N 2.85Å; L798-T800 HydrophobicContact CB-CG2 4.41Å; L798-T800 WeakPolarHBondContact CB-OG1 3.38Å; L798-T800 WeakPolarHBondContact O-CG2 3.47Å; L798-T800 PolarHBondContact O-N 3.14Å; L798-I802 HydrophobicContact CD1-CD1 4.45Å; L798-L874 HydrophobicContact CD1-CD1 4.13Å; L798-L874 HydrophobicContact CD2-CB 4.15Å; L798-S875 WeakPolarHBondContact O-CA 3.35Å
799	K	91.1	Very high	88.5	Confident	131 Å²	131	50 Å²	50	57%	0.57	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	39.5	-176.1	-57.7	-173	178.9	-169	0	112.2	E796 K797 E843	E796-K799 PolarHBondContact O-N 3.3Å; K797-K799 PolarHBondContact O-N 3.4Å; K799-E843 HydrophobicContact CB-CB 4.26Å; K799-E843 WeakPolarHBondContact CB-OE2 3.13Å; K799-E843 WeakPolarHBondContact O-CB 3.11Å; K799-E843 PolarHBondContact O-N 3.24Å; K799-E843 VanDerWaalsContact O-N 3.07Å
800	T	92.4	Very high	88.9	Confident	8 Å²	8	57.1 Å²	57.1	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133	-179.3	57.2	0	0	0	0	110.6	Y795 L798 R842 L874	Y795-T800 PolarHBondContact OH-O 3.09Å; L798-T800 HydrophobicContact CB-CG2 4.41Å; L798-T800 WeakPolarHBondContact CB-OG1 3.38Å; L798-T800 WeakPolarHBondContact O-CG2 3.47Å; L798-T800 PolarHBondContact O-N 3.14Å; T800-R842 HydrophobicContact CG2-CB 4.39Å; T800-R842 HydrophobicContact CG2-CG 3.44Å; T800-R842 VanDerWaalsContact CG2-CG 3.44Å; T800-L874 HydrophobicContact CG2-CB 4.1Å; T800-L874 WeakPolarHBondContact CG2-O 3.5Å
801	K	94.3	Very high	89.4	Confident	122 Å²	122	58 Å²	58	53%	0.53	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.2	166.3	-163.2	-176.2	-168.1	-157	0	108.9	E803 T841	K801-E803 WeakPolarHBondContact CE-OE1 3.48Å; K801-E803 HydrophobicContact CG-CG 4.47Å; K801-E803 IonicContact NZ-OE1 3.52Å; K801-E803 PolarHBondContact NZ-OE1 3.35Å; K801-T841 PolarHBondContact N-O 3.5Å; K801-T841 PolarHBondContact O-N 3.46Å
802	I	94.6	Very high	89.8	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.5	178.7	-49.9	178.9	0	0	0	108.3	V670 L673 Y795 L798 F838 K839 L874	V670-I802 HydrophobicContact CG2-CG2 4.32Å; L673-I802 HydrophobicContact CD2-CD1 4.01Å; L673-I802 HydrophobicContact CD2-CG2 4.22Å; Y795-I802 HydrophobicContact CD2-CD1 4.45Å; Y795-I802 HydrophobicContact CE2-CB 3.95Å; Y795-I802 HydrophobicContact CE2-CD1 3.99Å; Y795-I802 HydrophobicContact CE2-CG1 3.89Å; Y795-I802 PolarHBondContact OH-N 3.38Å; L798-I802 HydrophobicContact CD1-CD1 4.45Å; I802-F838 HydrophobicContact CG2-CB 3.76Å; I802-F838 HydrophobicContact CG2-CD1 3.82Å; I802-F838 HydrophobicContact CG2-CG 4.06Å; I802-K839 WeakPolarHBondContact CA-O 3.43Å; I802-L874 HydrophobicContact CD1-CD1 4.31Å
803	E	93.4	Very high	90.1	Very high	75 Å²	75	61.6 Å²	61.6	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.9	179.3	-61.3	175.7	164.5	0	0	109.6	K801 F838 K839	K801-E803 WeakPolarHBondContact CE-OE1 3.48Å; K801-E803 HydrophobicContact CG-CG 4.47Å; K801-E803 IonicContact NZ-OE1 3.52Å; K801-E803 PolarHBondContact NZ-OE1 3.35Å; E803-F838 CarbonylContact O-C 3.59Å; E803-F838 WeakPolarHBondContact O-CA 3.45Å; E803-K839 HydrophobicContact CB-CB 4.27Å; E803-K839 PolarHBondContact N-O 3.01Å; E803-K839 PolarHBondContact O-N 3.2Å
804	V	93.5	Very high	90.5	Very high	53 Å²	53	62.6 Å²	62.6	32%	0.321	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.5	176.2	-173.6	0	0	0	0	109.1	D667 P669 V670 F838	D667-V804 HydrophobicContact CB-CG2 3.93Å; P669-V804 HydrophobicContact CB-CG1 4.5Å; P669-V804 HydrophobicContact CB-CG2 4Å; P669-V804 HydrophobicContact CG-CG1 4.36Å; P669-V804 HydrophobicContact CG-CG2 4.2Å; V670-V804 HydrophobicContact CG2-CG2 3.7Å; V804-F838 HydrophobicContact CG2-CD1 4.15Å; V804-F838 HydrophobicContact CG2-CE1 4.03Å
805	I	92.7	Very high	90.8	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.062	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-89.6	128	175.3	-57.7	-177.2	0	0	0	108.7	T809 E811 A812 I837 K839 Y1002	I805-T809 HydrophobicContact CG2-CG2 4.49Å; I805-T809 VanDerWaalsContact CG2-OG1 3.22Å; I805-T809 WeakPolarHBondContact CG2-OG1 3.25Å; I805-E811 HydrophobicContact CD1-CG 4.46Å; I805-E811 HydrophobicContact CG2-CG 3.95Å; I805-A812 HydrophobicContact CG2-CB 4.01Å; I805-I837 HydrophobicContact CB-CB 4.37Å; I805-I837 HydrophobicContact CB-CG2 4.34Å; I805-I837 HydrophobicContact CD1-CG2 3.97Å; I805-I837 HydrophobicContact CG1-CG2 4.49Å; I805-I837 PolarHBondContact N-O 3.07Å; I805-K839 HydrophobicContact CD1-CB 3.93Å; I805-K839 HydrophobicContact CG1-CB 4Å; I805-Y1002 HydrophobicContact CD1-CD1 3.48Å; I805-Y1002 VanDerWaalsContact CD1-CD1 3.48Å; I805-Y1002 HydrophobicContact CD1-CE1 3.4Å
806	D	90.1	Very high	91	Very high	97 Å²	97	63.6 Å²	63.6	52%	0.519	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-68.7	135.1	172.3	-172.2	3.3	0	0	0	110.4	T808 T809 A812	D806-T808 PolarHBondContact O-N 2.89Å; D806-T808 VanDerWaalsContact O-N 3.12Å; D806-T808 PolarHBondContact OD1-N 3.16Å; D806-T808 PolarHBondContact OD2-OG1 3.2Å; D806-T809 HydrophobicContact CB-CG2 4.29Å; D806-T809 WeakPolarHBondContact O-CB 3.32Å; D806-T809 WeakPolarHBondContact O-CG2 3.28Å; D806-T809 PolarHBondContact O-N 3.46Å; D806-T809 PolarHBondContact O-OG1 2.74Å; D806-A812 WeakPolarHBondContact O-CB 2.78Å
807	K	86.2	Confident	91.2	Very high	100 Å²	100	62.2 Å²	62.2	44%	0.435	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.4	-178.2	-62.1	-175.2	-178	-173.7	0	113.1	T809 M816 Q835	K807-T809 VanDerWaalsContact C-N 3.29Å; K807-M816 HydrophobicContact CB-CE 4.39Å; K807-M816 WeakPolarHBondContact O-CE 3.31Å; K807-Q835 WeakPolarHBondContact CE-O 3.23Å; K807-Q835 PolarHBondContact NZ-O 3.48Å
808	T	87.3	Confident	91.6	Very high	104 Å²	104	60.8 Å²	60.8	64%	0.638	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.3	177	64.5	0	0	0	0	113.6	D806	D806-T808 PolarHBondContact O-N 2.89Å; D806-T808 VanDerWaalsContact O-N 3.12Å; D806-T808 PolarHBondContact OD1-N 3.16Å; D806-T808 PolarHBondContact OD2-OG1 3.2Å
809	T	91.8	Very high	91.8	Very high	44 Å²	44	61.1 Å²	61.1	27%	0.27	30%	0.3	S	S	.	.	S	Bend	trans	-75.9	147.7	-179.5	60.8	0	0	0	0	111.9	I805 D806 K807 E811 A812 E813	I805-T809 HydrophobicContact CG2-CG2 4.49Å; I805-T809 VanDerWaalsContact CG2-OG1 3.22Å; I805-T809 WeakPolarHBondContact CG2-OG1 3.25Å; D806-T809 HydrophobicContact CB-CG2 4.29Å; D806-T809 WeakPolarHBondContact O-CB 3.32Å; D806-T809 WeakPolarHBondContact O-CG2 3.28Å; D806-T809 PolarHBondContact O-N 3.46Å; D806-T809 PolarHBondContact O-OG1 2.74Å; K807-T809 VanDerWaalsContact C-N 3.29Å; T809-E811 PolarHBondContact O-N 3.35Å; T809-E811 WeakPolarHBondContact OG1-CG 3.47Å; T809-A812 PolarHBondContact O-N 2.72Å; T809-A812 VanDerWaalsContact O-N 3.08Å; T809-A812 VanDerWaalsContact OG1-CB 3.3Å; T809-A812 WeakPolarHBondContact OG1-CB 2.87Å; T809-A812 PolarHBondContact OG1-N 2.72Å; T809-E813 PolarHBondContact O-N 2.89Å
810	Q	88.1	Confident	91.9	Very high	159 Å²	159	62.7 Å²	62.7	74%	0.743	31%	0.307	S	S	*	.	H	α-helix	trans	-58.7	-34.5	176.4	-69.4	-179	-12.8	0	0	112.4	E813 I814	Q810-E813 PolarHBondContact O-N 2.98Å; Q810-I814 VanDerWaalsContact O-CG1 3.31Å; Q810-I814 WeakPolarHBondContact O-CG1 3.27Å; Q810-I814 PolarHBondContact O-N 3.49Å; Q810-I814 VanDerWaalsContact O-N 3.09Å
811	E	90.1	Very high	92	Very high	45 Å²	45	63.7 Å²	63.7	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-39.8	176	63.2	177.7	162.7	0	0	112.1	I805 T809 I814 I815 L965 Y1002	I805-E811 HydrophobicContact CD1-CG 4.46Å; I805-E811 HydrophobicContact CG2-CG 3.95Å; T809-E811 PolarHBondContact O-N 3.35Å; T809-E811 WeakPolarHBondContact OG1-CG 3.47Å; E811-I814 PolarHBondContact O-N 2.99Å; E811-I815 VanDerWaalsContact O-CG1 3.29Å; E811-I815 WeakPolarHBondContact O-CG1 3.44Å; E811-I815 PolarHBondContact O-N 2.92Å; E811-L965 HydrophobicContact CB-CD1 4.09Å; E811-Y1002 PolarHBondContact OE2-OH 3.14Å
812	A	90.3	Very high	91.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-40.2	175.4	0	0	0	0	0	112.1	I805 D806 T809 I814 I815 M816 I837	I805-A812 HydrophobicContact CG2-CB 4.01Å; D806-A812 WeakPolarHBondContact O-CB 2.78Å; T809-A812 PolarHBondContact O-N 2.72Å; T809-A812 VanDerWaalsContact O-N 3.08Å; T809-A812 VanDerWaalsContact OG1-CB 3.3Å; T809-A812 WeakPolarHBondContact OG1-CB 2.87Å; T809-A812 PolarHBondContact OG1-N 2.72Å; A812-I814 PolarHBondContact O-N 2.56Å; A812-I815 PolarHBondContact O-N 3.46Å; A812-M816 HydrophobicContact CB-CE 4.25Å; A812-M816 WeakPolarHBondContact O-CB 3.32Å; A812-M816 WeakPolarHBondContact O-CE 3.37Å; A812-M816 VanDerWaalsContact O-CG 3.31Å; A812-M816 WeakPolarHBondContact O-CG 3.25Å; A812-M816 PolarHBondContact O-N 2.89Å; A812-I837 HydrophobicContact CB-CD1 3.97Å
813	E	91.6	Very high	91.9	Very high	115 Å²	115	60 Å²	60	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-45.3	175.1	-71.6	-176.8	170.1	0	0	111.8	T809 Q810 I815 M816 Q817	T809-E813 PolarHBondContact O-N 2.89Å; Q810-E813 PolarHBondContact O-N 2.98Å; E813-I815 VanDerWaalsContact C-N 3.33Å; E813-I815 PolarHBondContact O-N 3.33Å; E813-M816 HydrophobicContact CG-CE 4.43Å; E813-M816 PolarHBondContact O-N 2.96Å; E813-Q817 VanDerWaalsContact O-CB 3.24Å; E813-Q817 WeakPolarHBondContact O-CB 3.48Å; E813-Q817 PolarHBondContact O-N 2.97Å
814	I	92.5	Very high	91.7	Very high	43 Å²	43	56.6 Å²	56.6	22%	0.221	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-43.8	176.1	-70.4	166.8	0	0	0	110.8	Q810 E811 A812 Q817 Y818 L965 V970 L972	Q810-I814 VanDerWaalsContact O-CG1 3.31Å; Q810-I814 WeakPolarHBondContact O-CG1 3.27Å; Q810-I814 PolarHBondContact O-N 3.49Å; Q810-I814 VanDerWaalsContact O-N 3.09Å; E811-I814 PolarHBondContact O-N 2.99Å; A812-I814 PolarHBondContact O-N 2.56Å; I814-Q817 WeakPolarHBondContact O-CB 3.34Å; I814-Q817 PolarHBondContact O-N 2.81Å; I814-Y818 WeakPolarHBondContact O-CB 3.28Å; I814-Y818 PolarHBondContact O-N 3.01Å; I814-L965 HydrophobicContact CD1-CD1 4.02Å; I814-V970 HydrophobicContact CG2-CG1 4.37Å; I814-L972 HydrophobicContact CG2-CD2 3.76Å
815	I	93.6	Very high	91.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-44.6	179	-68.9	167.3	0	0	0	111	E811 A812 E813 Q817 Y818 V819 I837 L922 Y1002 L1004	E811-I815 VanDerWaalsContact O-CG1 3.29Å; E811-I815 WeakPolarHBondContact O-CG1 3.44Å; E811-I815 PolarHBondContact O-N 2.92Å; A812-I815 PolarHBondContact O-N 3.46Å; E813-I815 VanDerWaalsContact C-N 3.33Å; E813-I815 PolarHBondContact O-N 3.33Å; I815-Q817 VanDerWaalsContact C-N 3.34Å; I815-Q817 PolarHBondContact O-N 2.77Å; I815-Y818 WeakPolarHBondContact O-CB 3.2Å; I815-Y818 PolarHBondContact O-N 2.73Å; I815-Y818 VanDerWaalsContact O-N 3.15Å; I815-V819 WeakPolarHBondContact O-CG2 3.45Å; I815-V819 PolarHBondContact O-N 2.87Å; I815-I837 HydrophobicContact CB-CD1 4.27Å; I815-I837 HydrophobicContact CD1-CG2 3.96Å; I815-I837 HydrophobicContact CG2-CD1 3.99Å; I815-L922 HydrophobicContact CG1-CD1 4.14Å; I815-L922 HydrophobicContact CG2-CD1 4.15Å; I815-Y1002 HydrophobicContact CD1-CD1 3.76Å; I815-Y1002 HydrophobicContact CD1-CD2 3.98Å; I815-Y1002 HydrophobicContact CD1-CE1 3.95Å; I815-Y1002 HydrophobicContact CD1-CE2 4.17Å; I815-Y1002 HydrophobicContact CD1-CG 3.77Å; I815-L1004 HydrophobicContact CG2-CD1 4.2Å; I815-L1004 HydrophobicContact CG2-CD2 3.58Å; I815-L1004 HydrophobicContact CG2-CG 4.13Å
816	M	92.9	Very high	91.3	Very high	63 Å²	63	61.4 Å²	61.4	31%	0.31	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.8	-72.5	-174.3	-74.3	0	0	111.7	K807 A812 E813 Y818 V819 K820 I837	K807-M816 HydrophobicContact CB-CE 4.39Å; K807-M816 WeakPolarHBondContact O-CE 3.31Å; A812-M816 HydrophobicContact CB-CE 4.25Å; A812-M816 WeakPolarHBondContact O-CB 3.32Å; A812-M816 WeakPolarHBondContact O-CE 3.37Å; A812-M816 VanDerWaalsContact O-CG 3.31Å; A812-M816 WeakPolarHBondContact O-CG 3.25Å; A812-M816 PolarHBondContact O-N 2.89Å; E813-M816 HydrophobicContact CG-CE 4.43Å; E813-M816 PolarHBondContact O-N 2.96Å; M816-Y818 VanDerWaalsContact C-N 3.32Å; M816-V819 PolarHBondContact O-N 2.93Å; M816-K820 WeakPolarHBondContact O-CB 3.46Å; M816-K820 PolarHBondContact O-N 3.35Å; M816-I837 HydrophobicContact CG-CD1 4.23Å
817	Q	92.7	Very high	91.3	Very high	97 Å²	97	58.5 Å²	58.5	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-42.5	172.5	-170.8	86.6	-5.7	0	0	110.8	E813 I814 I815 K820 N821 L972	E813-Q817 VanDerWaalsContact O-CB 3.24Å; E813-Q817 WeakPolarHBondContact O-CB 3.48Å; E813-Q817 PolarHBondContact O-N 2.97Å; I814-Q817 WeakPolarHBondContact O-CB 3.34Å; I814-Q817 PolarHBondContact O-N 2.81Å; I815-Q817 VanDerWaalsContact C-N 3.34Å; I815-Q817 PolarHBondContact O-N 2.77Å; Q817-K820 PolarHBondContact O-N 2.97Å; Q817-N821 WeakPolarHBondContact O-CB 3.16Å; Q817-N821 PolarHBondContact O-N 3.09Å; Q817-L972 HydrophobicContact CG-CD1 4.36Å
818	Y	94.9	Very high	91.4	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-45.1	179.2	-168.7	-166.8	0	0	0	111.7	I814 I815 M816 K820 T822 L860 W862 D900 L922 V970 P971 L972	I814-Y818 WeakPolarHBondContact O-CB 3.28Å; I814-Y818 PolarHBondContact O-N 3.01Å; I815-Y818 WeakPolarHBondContact O-CB 3.2Å; I815-Y818 PolarHBondContact O-N 2.73Å; I815-Y818 VanDerWaalsContact O-N 3.15Å; M816-Y818 VanDerWaalsContact C-N 3.32Å; Y818-K820 PolarHBondContact O-N 3.09Å; Y818-T822 HydrophobicContact CD2-CG2 3.61Å; Y818-T822 HydrophobicContact CE2-CG2 3.56Å; Y818-T822 WeakPolarHBondContact O-CB 3.42Å; Y818-T822 PolarHBondContact O-N 2.85Å; Y818-T822 PolarHBondContact O-OG1 3.08Å; Y818-L860 PolarHBondContact OH-O 2.89Å; Y818-W862 AromaticContact CD1-CE2 3.76Å; Y818-W862 HydrophobicContact CD1-CH2 4.4Å; Y818-W862 AromaticContact CD1-CZ2 3.44Å; Y818-W862 HydrophobicContact CD1-CZ2 3.44Å; Y818-W862 VanDerWaalsContact CD1-CZ2 3.44Å; Y818-W862 AromaticContact CD1-NE1 3.77Å; Y818-W862 HydrophobicContact CD2-CZ2 4.29Å; Y818-W862 AromaticContact CD2-NE1 3.82Å; Y818-W862 AromaticContact CE1-CE2 3.66Å; Y818-W862 AromaticContact CE1-CZ2 3.87Å; Y818-W862 HydrophobicContact CE1-CZ2 3.87Å; Y818-W862 AromaticContact CE1-NE1 3.33Å; Y818-W862 VanDerWaalsContact CE1-NE1 3.33Å; Y818-W862 AromaticContact CE2-NE1 3.38Å; Y818-W862 AromaticContact CG-CZ2 3.69Å; Y818-W862 HydrophobicContact CG-CZ2 3.69Å; Y818-W862 AromaticContact CG-NE1 4Å; Y818-W862 AromaticContact CZ-CD1 3.72Å; Y818-W862 AromaticContact CZ-CE2 3.94Å; Y818-W862 AromaticContact CZ-NE1 3.11Å; Y818-W862 PolarHBondContact OH-NE1 3.44Å; Y818-D900 WeakPolarHBondContact CE2-O 3.11Å; Y818-D900 PolarHBondContact OH-O 3.36Å; Y818-L922 HydrophobicContact CD1-CD2 4.21Å; Y818-L922 HydrophobicContact CE1-CD2 3.85Å; Y818-V970 HydrophobicContact CD1-CG1 3.52Å; Y818-V970 HydrophobicContact CE1-CG1 3.78Å; Y818-V970 HydrophobicContact CG-CG1 4Å; Y818-P971 WeakPolarHBondContact CE2-O 3.01Å; Y818-P971 WeakPolarHBondContact OH-CG 3.38Å; Y818-L972 HydrophobicContact CD2-CB 3.66Å; Y818-L972 HydrophobicContact CE2-CB 4.45Å; Y818-L972 HydrophobicContact CG-CB 3.92Å
819	V	94.3	Very high	91.5	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-46.3	174.1	175	0	0	0	0	110.9	I815 M816 L832 V834 W862 V902 L1004	I815-V819 WeakPolarHBondContact O-CG2 3.45Å; I815-V819 PolarHBondContact O-N 2.87Å; M816-V819 PolarHBondContact O-N 2.93Å; V819-L832 HydrophobicContact CG1-CB 4.19Å; V819-L832 HydrophobicContact CG1-CD1 4.43Å; V819-V834 HydrophobicContact CB-CG2 4.15Å; V819-V834 HydrophobicContact CG1-CG2 3.95Å; V819-V834 HydrophobicContact CG2-CG2 3.95Å; V819-W862 HydrophobicContact CG2-CH2 3.45Å; V819-W862 VanDerWaalsContact CG2-CH2 3.45Å; V819-W862 HydrophobicContact CG2-CZ2 3.83Å; V819-W862 HydrophobicContact CG2-CZ3 4.37Å; V819-V902 HydrophobicContact CG1-CG1 4.36Å; V819-V902 HydrophobicContact CG1-CG2 4.42Å; V819-V902 HydrophobicContact CG2-CG2 4.32Å; V819-V902 VanDerWaalsContact O-CG1 3.3Å; V819-V902 WeakPolarHBondContact O-CG1 3.4Å; V819-L1004 HydrophobicContact CG2-CD2 3.75Å
820	K	93.1	Very high	91.5	Very high	164 Å²	164	56.3 Å²	56.3	71%	0.713	29%	0.294	S	S	*	.	H	α-helix	trans	-66.6	-42.2	-176.8	-174.3	177.6	-179.8	179.4	0	113.1	M816 Q817 Y818	M816-K820 WeakPolarHBondContact O-CB 3.46Å; M816-K820 PolarHBondContact O-N 3.35Å; Q817-K820 PolarHBondContact O-N 2.97Å; Y818-K820 PolarHBondContact O-N 3.09Å
821	N	93.7	Very high	91.8	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-79.7	-28.3	-173.1	-75	-10.6	0	0	0	113.6	Q817 L972 K974	Q817-N821 WeakPolarHBondContact O-CB 3.16Å; Q817-N821 PolarHBondContact O-N 3.09Å; N821-L972 WeakPolarHBondContact CB-O 3.49Å; N821-L972 PolarHBondContact ND2-O 2.85Å; N821-K974 HydrophobicContact CB-CG 4.3Å
822	T	93.6	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	23.8	-173.1	67.1	0	0	0	0	113.9	Y818 A824 M901 V902 P957 G973	Y818-T822 HydrophobicContact CD2-CG2 3.61Å; Y818-T822 HydrophobicContact CE2-CG2 3.56Å; Y818-T822 WeakPolarHBondContact O-CB 3.42Å; Y818-T822 PolarHBondContact O-N 2.85Å; Y818-T822 PolarHBondContact O-OG1 3.08Å; T822-A824 PolarHBondContact O-N 2.63Å; T822-M901 HydrophobicContact CG2-SD 4.26Å; T822-M901 VanDerWaalsContact O-CE 3.27Å; T822-M901 WeakPolarHBondContact O-CE 3.14Å; T822-V902 PolarHBondContact O-N 3.02Å; T822-V902 PolarHBondContact OG1-N 3.47Å; T822-P957 HydrophobicContact CG2-CG 4.33Å; T822-G973 WeakPolarHBondContact CG2-O 3.1Å
823	H	93.3	Very high	92.2	Very high	53 Å²	53	55.3 Å²	55.3	25%	0.245	29%	0.294	C	S	.	.			trans	-77.9	110.7	168.9	-162.6	100.6	0	0	0	109.9	H827 Y830	H823-H827 PolarHBondContact NE2-O 2.76Å; H823-Y830 AromaticContact CE1-CD2 3.98Å; H823-Y830 AromaticContact CE1-CE2 3.78Å; H823-Y830 PolarHBondContact CE1-O 3.29Å; H823-Y830 VanDerWaalsContact CE1-O 3.28Å; H823-Y830 PolarHBondContact NE2-O 3.07Å
824	A	90.2	Very high	92.3	Very high	2 Å²	2	51 Å²	51	2%	0.017	28%	0.275	C	S	.	.			trans	-59.5	136.2	179.5	0	0	0	0	0	113.1	T822 T826 H827 M901 S903 Y987	T822-A824 PolarHBondContact O-N 2.63Å; A824-T826 VanDerWaalsContact C-N 3.25Å; A824-T826 PolarHBondContact O-N 3.42Å; A824-H827 HydrophobicContact CB-CB 4.37Å; A824-H827 PolarHBondContact O-N 3.21Å; A824-H827 VanDerWaalsContact O-N 3.1Å; A824-M901 HydrophobicContact CB-CE 4.09Å; A824-S903 WeakPolarHBondContact CB-OG 3.26Å; A824-S903 PolarHBondContact N-OG 3.19Å; A824-Y987 HydrophobicContact CB-CE1 3.77Å; A824-Y987 HydrophobicContact CB-CE2 3.95Å; A824-Y987 VanDerWaalsContact CB-CZ 3.45Å; A824-Y987 WeakPolarHBondContact CB-OH 3.41Å
825	A	88.2	Confident	92.3	Very high	90 Å²	90	51.1 Å²	51.1	74%	0.744	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.5	179.7	0	0	0	0	0	113.8	H827	A825-H827 VanDerWaalsContact C-N 3.32Å
826	T	89.8	Confident	92.3	Very high	77 Å²	77	52.7 Å²	52.7	47%	0.472	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.1	177.1	61.1	0	0	0	0	113.2	A824 N828 Y987	A824-T826 VanDerWaalsContact C-N 3.25Å; A824-T826 PolarHBondContact O-N 3.42Å; T826-N828 PolarHBondContact O-N 2.9Å; T826-Y987 WeakPolarHBondContact CG2-OH 3.46Å; T826-Y987 PolarHBondContact OG1-OH 2.78Å
827	H	89.1	Confident	92.4	Very high	36 Å²	36	49.8 Å²	49.8	17%	0.167	27%	0.269	C	S	.	.			trans	-100.1	52.6	-179.2	-57.8	162.5	0	0	0	110.4	H823 A824 A825 S903 N907	H823-H827 PolarHBondContact NE2-O 2.76Å; A824-H827 HydrophobicContact CB-CB 4.37Å; A824-H827 PolarHBondContact O-N 3.21Å; A824-H827 VanDerWaalsContact O-N 3.1Å; A825-H827 VanDerWaalsContact C-N 3.32Å; H827-S903 PolarHBondContact ND1-OG 2.86Å; H827-N907 PolarHBondContact CE1-ND2 2.96Å; H827-N907 VanDerWaalsContact CE1-ND2 3.34Å
828	N	89	Confident	92.5	Very high	109 Å²	109	45.1 Å²	45.1	58%	0.583	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	2	-174.3	65.8	-7.4	0	0	0	114.4	T826 Y830	T826-N828 PolarHBondContact O-N 2.9Å; N828-Y830 PolarHBondContact O-N 3.41Å
829	T	88.9	Confident	92.6	Very high	86 Å²	86	48.6 Å²	48.6	53%	0.528	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.4	-179.7	53.4	0	0	0	0	113.2	Q1011	T829-Q1011 PolarHBondContact O-N 2.85Å
830	Y	92.6	Very high	92.6	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.5	177.3	58.4	-93.5	0	0	0	111.1	H823 N828 L832 S903 N907 F1008 N1009 Y1010	H823-Y830 AromaticContact CE1-CD2 3.98Å; H823-Y830 AromaticContact CE1-CE2 3.78Å; H823-Y830 PolarHBondContact CE1-O 3.29Å; H823-Y830 VanDerWaalsContact CE1-O 3.28Å; H823-Y830 PolarHBondContact NE2-O 3.07Å; N828-Y830 PolarHBondContact O-N 3.41Å; Y830-L832 HydrophobicContact CD2-CD2 3.71Å; Y830-L832 HydrophobicContact CD2-CG 4.14Å; Y830-L832 HydrophobicContact CE2-CD1 4.43Å; Y830-L832 HydrophobicContact CE2-CD2 3.68Å; Y830-L832 HydrophobicContact CE2-CG 4.03Å; Y830-S903 PolarHBondContact OH-O 3.34Å; Y830-N907 WeakPolarHBondContact CE1-OD1 3.5Å; Y830-N907 PolarHBondContact OH-OD1 2.99Å; Y830-F1008 AromaticContact CD2-CD1 3.61Å; Y830-F1008 HydrophobicContact CD2-CD1 3.61Å; Y830-F1008 HydrophobicContact CD2-CE1 4.11Å; Y830-F1008 AromaticContact CE2-CD1 3.88Å; Y830-F1008 HydrophobicContact CE2-CD1 3.88Å; Y830-F1008 AromaticContact CE2-CE1 3.87Å; Y830-F1008 HydrophobicContact CE2-CE1 3.87Å; Y830-F1008 HydrophobicContact CG-CD1 4Å; Y830-N1009 WeakPolarHBondContact CA-O 3.22Å; Y830-Y1010 HydrophobicContact CD1-CE1 4.11Å; Y830-Y1010 HydrophobicContact CG-CE1 4.38Å
831	T	93.3	Very high	92.6	Very high	61 Å²	61	44 Å²	44	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	153	165.1	64.8	0	0	0	0	110.1	N1009	T831-N1009 PolarHBondContact N-O 3.1Å; T831-N1009 PolarHBondContact O-N 3.09Å; T831-N1009 WeakPolarHBondContact OG1-CB 3.36Å
832	L	94.2	Very high	92.6	Very high	29 Å²	29	43.7 Å²	43.7	15%	0.152	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.9	-177.4	-62.3	176.8	0	0	0	110.1	V819 Y830 V902 A906 I1006 F1008	V819-L832 HydrophobicContact CG1-CB 4.19Å; V819-L832 HydrophobicContact CG1-CD1 4.43Å; Y830-L832 HydrophobicContact CD2-CD2 3.71Å; Y830-L832 HydrophobicContact CD2-CG 4.14Å; Y830-L832 HydrophobicContact CE2-CD1 4.43Å; Y830-L832 HydrophobicContact CE2-CD2 3.68Å; Y830-L832 HydrophobicContact CE2-CG 4.03Å; L832-V902 HydrophobicContact CD1-CG1 3.9Å; L832-V902 HydrophobicContact CD1-CG2 4.14Å; L832-A906 HydrophobicContact CD1-CB 4.18Å; L832-A906 HydrophobicContact CD2-CB 4.35Å; L832-I1006 HydrophobicContact CB-CG2 3.84Å; L832-I1006 HydrophobicContact CD2-CG2 3.79Å; L832-I1006 HydrophobicContact CG-CG2 4.33Å; L832-F1008 HydrophobicContact CD2-CD1 3.52Å; L832-F1008 HydrophobicContact CD2-CD2 4.27Å; L832-F1008 HydrophobicContact CD2-CE1 3.46Å; L832-F1008 VanDerWaalsContact CD2-CE1 3.46Å; L832-F1008 HydrophobicContact CD2-CE2 4.19Å; L832-F1008 HydrophobicContact CD2-CG 3.97Å; L832-F1008 HydrophobicContact CD2-CZ 3.81Å
833	E	94.2	Very high	92.6	Very high	93 Å²	93	50.2 Å²	50.2	44%	0.435	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.5	175.7	-177.5	-172.4	170.6	0	0	109.7	Q835 I1006 R1007 N1009	E833-Q835 PolarHBondContact O-N 3.08Å; E833-I1006 CarbonylContact O-C 3.55Å; E833-I1006 WeakPolarHBondContact O-CA 3.48Å; E833-I1006 WeakPolarHBondContact O-CG2 3.31Å; E833-R1007 HydrophobicContact CB-CB 4.35Å; E833-R1007 PolarHBondContact N-O 2.82Å; E833-R1007 PolarHBondContact O-N 3.5Å; E833-N1009 PolarHBondContact OE2-ND2 3.35Å
834	V	94.1	Very high	92.4	Very high	24 Å²	24	49.4 Å²	49.4	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	114.8	-179.2	-175.8	0	0	0	0	109.7	V819 I837 L1004	V819-V834 HydrophobicContact CB-CG2 4.15Å; V819-V834 HydrophobicContact CG1-CG2 3.95Å; V819-V834 HydrophobicContact CG2-CG2 3.95Å; V834-I837 HydrophobicContact CG1-CD1 4.13Å; V834-I837 HydrophobicContact CG1-CG1 3.68Å; V834-L1004 HydrophobicContact CG1-CD2 4.45Å
835	Q	92.5	Very high	92.4	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-59.6	177.1	-66.8	-167.6	-20.9	0	0	110.9	K807 E833 K1005 R1007	K807-Q835 WeakPolarHBondContact CE-O 3.23Å; K807-Q835 PolarHBondContact NZ-O 3.48Å; E833-Q835 PolarHBondContact O-N 3.08Å; Q835-K1005 HydrophobicContact CB-CG 4.44Å; Q835-K1005 WeakPolarHBondContact CB-O 3.5Å; Q835-K1005 PolarHBondContact N-O 3.36Å; Q835-K1005 VanDerWaalsContact OE1-CE 3.28Å; Q835-R1007 HydrophobicContact CG-CB 4.18Å
836	D	93.6	Very high	92.4	Very high	33 Å²	33	50.5 Å²	50.5	18%	0.176	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.2	-173.6	-56.6	-58	0	0	0	109.7	F838 K1005	D836-F838 HydrophobicContact CB-CD2 4.43Å; D836-F838 HydrophobicContact CB-CE1 4.49Å; D836-F838 HydrophobicContact CB-CE2 3.6Å; D836-F838 HydrophobicContact CB-CZ 3.64Å; D836-K1005 HydrophobicContact CB-CB 4.17Å; D836-K1005 PolarHBondContact N-O 3.48Å; D836-K1005 PolarHBondContact O-N 3.04Å; D836-K1005 WeakPolarHBondContact OD2-CD 3.36Å; D836-K1005 IonicContact OD2-NZ 2.76Å; D836-K1005 PolarHBondContact OD2-NZ 2.99Å; D836-K1005 VanDerWaalsContact OD2-NZ 3.1Å
837	I	95.6	Very high	92.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.1	174.3	-53.8	175.3	0	0	0	107.4	I805 A812 I815 M816 V834 L1004	I805-I837 HydrophobicContact CB-CB 4.37Å; I805-I837 HydrophobicContact CB-CG2 4.34Å; I805-I837 HydrophobicContact CD1-CG2 3.97Å; I805-I837 HydrophobicContact CG1-CG2 4.49Å; I805-I837 PolarHBondContact N-O 3.07Å; A812-I837 HydrophobicContact CB-CD1 3.97Å; I815-I837 HydrophobicContact CB-CD1 4.27Å; I815-I837 HydrophobicContact CD1-CG2 3.96Å; I815-I837 HydrophobicContact CG2-CD1 3.99Å; M816-I837 HydrophobicContact CG-CD1 4.23Å; V834-I837 HydrophobicContact CG1-CD1 4.13Å; V834-I837 HydrophobicContact CG1-CG1 3.68Å; I837-L1004 HydrophobicContact CG1-CG 4.5Å
838	F	95.5	Very high	92.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.7	179.6	-56.6	-81.7	0	0	0	109.8	P669 V670 L673 I802 E803 V804 D836 Y1002 L1003 K1005	P669-F838 HydrophobicContact CB-CE1 3.76Å; P669-F838 HydrophobicContact CB-CZ 3.91Å; P669-F838 WeakPolarHBondContact O-CZ 3.49Å; V670-F838 HydrophobicContact CG2-CD1 4.27Å; V670-F838 HydrophobicContact CG2-CE1 4.11Å; L673-F838 HydrophobicContact CB-CE2 4.49Å; L673-F838 HydrophobicContact CB-CZ 4.17Å; L673-F838 HydrophobicContact CD2-CD1 4.44Å; L673-F838 HydrophobicContact CD2-CD2 4.2Å; L673-F838 HydrophobicContact CD2-CE1 4.47Å; L673-F838 HydrophobicContact CD2-CE2 4.25Å; L673-F838 HydrophobicContact CD2-CG 4.3Å; L673-F838 HydrophobicContact CD2-CZ 4.39Å; I802-F838 HydrophobicContact CG2-CB 3.76Å; I802-F838 HydrophobicContact CG2-CD1 3.82Å; I802-F838 HydrophobicContact CG2-CG 4.06Å; E803-F838 CarbonylContact O-C 3.59Å; E803-F838 WeakPolarHBondContact O-CA 3.45Å; V804-F838 HydrophobicContact CG2-CD1 4.15Å; V804-F838 HydrophobicContact CG2-CE1 4.03Å; D836-F838 HydrophobicContact CB-CD2 4.43Å; D836-F838 HydrophobicContact CB-CE1 4.49Å; D836-F838 HydrophobicContact CB-CE2 3.6Å; D836-F838 HydrophobicContact CB-CZ 3.64Å; F838-Y1002 CarbonylContact O-C 3.51Å; F838-Y1002 WeakPolarHBondContact O-CA 3.41Å; F838-L1003 HydrophobicContact CB-CB 4.23Å; F838-L1003 WeakPolarHBondContact CB-O 3.23Å; F838-L1003 HydrophobicContact CD2-CG 4.46Å; F838-L1003 WeakPolarHBondContact CD2-O 3.06Å; F838-L1003 PolarHBondContact N-O 2.88Å; F838-L1003 PolarHBondContact O-N 3.45Å; F838-K1005 HydrophobicContact CE2-CB 4.11Å
839	K	95.3	Very high	92.8	Very high	72 Å²	72	51.6 Å²	51.6	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.3	165.1	-164.5	171.7	-177.2	167.5	0	108.4	I802 E803 I805 Y1002	I802-K839 WeakPolarHBondContact CA-O 3.43Å; E803-K839 HydrophobicContact CB-CB 4.27Å; E803-K839 PolarHBondContact N-O 3.01Å; E803-K839 PolarHBondContact O-N 3.2Å; I805-K839 HydrophobicContact CD1-CB 3.93Å; I805-K839 HydrophobicContact CG1-CB 4Å; K839-Y1002 HydrophobicContact CG-CE1 4.42Å
840	V	94.3	Very high	92.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.6	-178.6	-177.4	0	0	0	0	108.9	L874 K1001 L1003	V840-L874 HydrophobicContact CG1-CD2 3.84Å; V840-K1001 PolarHBondContact N-O 3.06Å; V840-L1003 HydrophobicContact CG2-CB 3.57Å; V840-L1003 HydrophobicContact CG2-CD2 4.48Å
841	T	94.5	Very high	92.9	Very high	73 Å²	73	54.5 Å²	54.5	45%	0.448	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	107.2	171.5	-57.7	0	0	0	0	108.6	K801	K801-T841 PolarHBondContact N-O 3.5Å; K801-T841 PolarHBondContact O-N 3.46Å
842	R	94	Very high	92.8	Very high	24 Å²	24	53.4 Å²	53.4	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.8	178.8	-88.6	173.7	51	68.9	8.9	111.6	T800 G844 E845 L874 S875 Q876 G877	T800-R842 HydrophobicContact CG2-CB 4.39Å; T800-R842 HydrophobicContact CG2-CG 3.44Å; T800-R842 VanDerWaalsContact CG2-CG 3.44Å; R842-G844 PolarHBondContact O-N 3.32Å; R842-E845 HydrophobicContact CB-CB 3.69Å; R842-E845 HydrophobicContact CB-CG 4.45Å; R842-E845 WeakPolarHBondContact CD-OE1 3.33Å; R842-E845 IonicContact CZ-OE1 3.17Å; R842-E845 IonicContact NE-OE1 2.66Å; R842-E845 PolarHBondContact NE-OE1 3.25Å; R842-E845 PolarHBondContact O-N 2.9Å; R842-L874 PolarHBondContact NH1-O 3Å; R842-S875 PolarHBondContact NH1-O 3.47Å; R842-Q876 VanDerWaalsContact CZ-C 3.44Å; R842-Q876 PolarHBondContact NH2-O 3.04Å; R842-G877 VanDerWaalsContact CZ-CA 3.46Å; R842-G877 VanDerWaalsContact NH1-N 3.11Å
843	E	92.1	Very high	92.5	Very high	137 Å²	137	55 Å²	55	64%	0.64	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	130.2	173.8	-167.5	-179.3	169.5	0	0	111	K799 E845	K799-E843 HydrophobicContact CB-CB 4.26Å; K799-E843 WeakPolarHBondContact CB-OE2 3.13Å; K799-E843 WeakPolarHBondContact O-CB 3.11Å; K799-E843 PolarHBondContact O-N 3.24Å; K799-E843 VanDerWaalsContact O-N 3.07Å; E843-E845 PolarHBondContact O-N 3.1Å; E843-E845 VanDerWaalsContact O-N 3.11Å
844	G	89	Confident	92.2	Very high	36 Å²	36	59.5 Å²	59.5	37%	0.371	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-7.9	179	0	0	0	0	0	116.1	R842 Q847 R848	R842-G844 PolarHBondContact O-N 3.32Å; G844-Q847 PolarHBondContact O-N 3Å; G844-R848 PolarHBondContact O-N 3.06Å; G844-R848 VanDerWaalsContact O-N 3.16Å
845	E	91	Very high	92	Very high	3 Å²	3	60 Å²	60	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-40.4	-177	-171.3	158.9	-92	0	0	112.4	R842 E843 Q847 R848 Y849 L1000	R842-E845 HydrophobicContact CB-CB 3.69Å; R842-E845 HydrophobicContact CB-CG 4.45Å; R842-E845 WeakPolarHBondContact CD-OE1 3.33Å; R842-E845 IonicContact CZ-OE1 3.17Å; R842-E845 IonicContact NE-OE1 2.66Å; R842-E845 PolarHBondContact NE-OE1 3.25Å; R842-E845 PolarHBondContact O-N 2.9Å; E843-E845 PolarHBondContact O-N 3.1Å; E843-E845 VanDerWaalsContact O-N 3.11Å; E845-Q847 VanDerWaalsContact C-N 3.31Å; E845-Q847 PolarHBondContact O-N 2.95Å; E845-R848 PolarHBondContact O-N 2.65Å; E845-R848 IonicContact OE1-NH2 2.65Å; E845-R848 PolarHBondContact OE1-NH2 3.32Å; E845-Y849 WeakPolarHBondContact O-CB 3.26Å; E845-Y849 PolarHBondContact O-N 3.1Å; E845-L1000 WeakPolarHBondContact OE2-CB 3.38Å; E845-L1000 PolarHBondContact OE2-N 2.54Å
846	H	88.8	Confident	92	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-40.5	174.1	-174.9	-58.8	0	0	0	112.3	R848 Y849 S850 E853	H846-R848 VanDerWaalsContact C-N 3.32Å; H846-R848 PolarHBondContact O-N 3.11Å; H846-Y849 PolarHBondContact O-N 2.58Å; H846-S850 PolarHBondContact O-N 2.94Å; H846-E853 IonicContact CE1-OE1 3.23Å; H846-E853 PolarHBondContact CE1-OE1 3.2Å; H846-E853 VanDerWaalsContact CE1-OE1 3.23Å; H846-E853 IonicContact ND1-OE1 3.76Å; H846-E853 IonicContact NE2-OE1 3.95Å
847	Q	91.1	Very high	92	Very high	157 Å²	157	62.8 Å²	62.8	73%	0.734	32%	0.318	S	S	*	.	H	α-helix	trans	-65.8	-39.6	179	-67.6	167.5	-6.5	0	0	110.9	G844 E845	G844-Q847 PolarHBondContact O-N 3Å; E845-Q847 VanDerWaalsContact C-N 3.31Å; E845-Q847 PolarHBondContact O-N 2.95Å
848	R	91.3	Very high	91.9	Very high	86 Å²	86	65.9 Å²	65.9	33%	0.325	33%	0.33	S	S	.	.	H	α-helix	trans	-70.2	-33.3	176.2	-173.3	176.9	64.9	-173.7	0.4	112.7	G844 E845 H846 P851 A996	G844-R848 PolarHBondContact O-N 3.06Å; G844-R848 VanDerWaalsContact O-N 3.16Å; E845-R848 PolarHBondContact O-N 2.65Å; E845-R848 IonicContact OE1-NH2 2.65Å; E845-R848 PolarHBondContact OE1-NH2 3.32Å; H846-R848 VanDerWaalsContact C-N 3.32Å; H846-R848 PolarHBondContact O-N 3.11Å; R848-P851 WeakPolarHBondContact O-CD 3.34Å; R848-A996 HydrophobicContact CG-CB 3.57Å
849	Y	93.1	Very high	91.9	Very high	1 Å²	1	66.8 Å²	66.8	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-80.1	-22.5	179.7	-173.3	-105.2	0	0	0	113.5	E845 H846 P851 F852 E853 R858 E924 A926 A996 Q997 N999	E845-Y849 WeakPolarHBondContact O-CB 3.26Å; E845-Y849 PolarHBondContact O-N 3.1Å; H846-Y849 PolarHBondContact O-N 2.58Å; Y849-P851 VanDerWaalsContact C-N 3.33Å; Y849-P851 VanDerWaalsContact O-N 3.12Å; Y849-F852 HydrophobicContact CD2-CB 4.31Å; Y849-F852 HydrophobicContact CE2-CB 4.13Å; Y849-F852 WeakPolarHBondContact O-CA 3.32Å; Y849-F852 WeakPolarHBondContact O-CB 3.23Å; Y849-F852 PolarHBondContact O-N 2.92Å; Y849-E853 HydrophobicContact CD1-CG 3.58Å; Y849-E853 HydrophobicContact CE1-CG 3.68Å; Y849-E853 PolarHBondContact O-N 2.93Å; Y849-R858 WeakPolarHBondContact OH-CD 3.33Å; Y849-E924 HydrophobicContact CE1-CG 4.43Å; Y849-E924 WeakPolarHBondContact OH-CG 3.38Å; Y849-E924 PolarHBondContact OH-OE1 2.95Å; Y849-E924 VanDerWaalsContact OH-OE1 3.14Å; Y849-A926 HydrophobicContact CE2-CB 3.92Å; Y849-A996 WeakPolarHBondContact CD2-O 3.2Å; Y849-Q997 WeakPolarHBondContact CE2-O 3.37Å; Y849-N999 HydrophobicContact CD1-CB 4.04Å; Y849-N999 HydrophobicContact CD2-CB 3.77Å; Y849-N999 HydrophobicContact CE1-CB 4.34Å; Y849-N999 HydrophobicContact CE2-CB 4.09Å; Y849-N999 HydrophobicContact CG-CB 3.75Å
850	S	91	Very high	91.9	Very high	59 Å²	59	63.6 Å²	63.6	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-46.5	-42.1	-177.4	-179.5	0	0	0	0	115.3	H846 F852 E853	H846-S850 PolarHBondContact O-N 2.94Å; S850-F852 PolarHBondContact O-N 3.4Å; S850-F852 VanDerWaalsContact O-N 3.12Å; S850-E853 PolarHBondContact O-N 3.38Å
851	P	92.2	Very high	92.1	Very high	94 Å²	94	63.6 Å²	63.6	61%	0.61	32%	0.32	S	S	*	.	H	α-helix	trans	-61.8	-20.6	176.3	-22.6	34.9	0	0	0	114.6	R848 Y849	R848-P851 WeakPolarHBondContact O-CD 3.34Å; Y849-P851 VanDerWaalsContact C-N 3.33Å; Y849-P851 VanDerWaalsContact O-N 3.12Å
852	F	92.1	Very high	92.2	Very high	38 Å²	38	60.1 Å²	60.1	17%	0.167	30%	0.299	C	S	.	.	H	α-helix	trans	-103.7	-2.8	-177.2	-56.4	-79.4	0	0	0	113.1	Y849 S850 E854 L855 A926 A996 Q997	Y849-F852 HydrophobicContact CD2-CB 4.31Å; Y849-F852 HydrophobicContact CE2-CB 4.13Å; Y849-F852 WeakPolarHBondContact O-CA 3.32Å; Y849-F852 WeakPolarHBondContact O-CB 3.23Å; Y849-F852 PolarHBondContact O-N 2.92Å; S850-F852 PolarHBondContact O-N 3.4Å; S850-F852 VanDerWaalsContact O-N 3.12Å; F852-E854 VanDerWaalsContact C-N 3.27Å; F852-E854 PolarHBondContact O-N 3.18Å; F852-L855 HydrophobicContact CD1-CD2 4.22Å; F852-L855 VanDerWaalsContact O-CB 3.25Å; F852-L855 WeakPolarHBondContact O-CB 3.47Å; F852-L855 PolarHBondContact O-N 2.93Å; F852-L855 VanDerWaalsContact O-N 3.09Å; F852-A926 HydrophobicContact CB-CB 3.74Å; F852-A996 HydrophobicContact CD2-CB 4.25Å; F852-A996 VanDerWaalsContact CD2-O 3.3Å; F852-A996 WeakPolarHBondContact CD2-O 3.45Å; F852-A996 HydrophobicContact CE2-CB 3.48Å; F852-A996 VanDerWaalsContact CE2-CB 3.48Å; F852-A996 HydrophobicContact CZ-CB 4.24Å; F852-Q997 HydrophobicContact CD1-CG 3.8Å; F852-Q997 HydrophobicContact CE1-CG 3.61Å; F852-Q997 HydrophobicContact CE2-CG 4.38Å; F852-Q997 HydrophobicContact CG-CG 4.24Å; F852-Q997 HydrophobicContact CZ-CG 3.91Å
853	E	87.5	Confident	92.3	Very high	63 Å²	63	60.3 Å²	60.3	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-33.5	175.3	-74	-179.6	-177.6	0	0	112.2	H846 Y849 S850 L855 R858	H846-E853 IonicContact CE1-OE1 3.23Å; H846-E853 PolarHBondContact CE1-OE1 3.2Å; H846-E853 VanDerWaalsContact CE1-OE1 3.23Å; H846-E853 IonicContact ND1-OE1 3.76Å; H846-E853 IonicContact NE2-OE1 3.95Å; Y849-E853 HydrophobicContact CD1-CG 3.58Å; Y849-E853 HydrophobicContact CE1-CG 3.68Å; Y849-E853 PolarHBondContact O-N 2.93Å; S850-E853 PolarHBondContact O-N 3.38Å; E853-L855 VanDerWaalsContact C-N 3.28Å; E853-R858 PolarHBondContact O-NH1 3.45Å; E853-R858 VanDerWaalsContact O-NH1 3.12Å
854	E	87.9	Confident	92.4	Very high	188 Å²	188	54.2 Å²	54.2	88%	0.879	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.5	174.6	-61.4	-171.8	169.8	0	0	112.8	F852 H856	F852-E854 VanDerWaalsContact C-N 3.27Å; F852-E854 PolarHBondContact O-N 3.18Å; E854-H856 PolarHBondContact O-N 3.12Å
855	L	90.7	Very high	92.5	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.173	26%	0.262	C	S	.	.	S	Bend	trans	-71.8	131.4	179.9	-162.6	69.3	0	0	0	109.7	F852 E853 R858 A926 H947	F852-L855 HydrophobicContact CD1-CD2 4.22Å; F852-L855 VanDerWaalsContact O-CB 3.25Å; F852-L855 WeakPolarHBondContact O-CB 3.47Å; F852-L855 PolarHBondContact O-N 2.93Å; F852-L855 VanDerWaalsContact O-N 3.09Å; E853-L855 VanDerWaalsContact C-N 3.28Å; L855-R858 VanDerWaalsContact O-CG 3.3Å; L855-R858 WeakPolarHBondContact O-CG 3.44Å; L855-A926 HydrophobicContact CB-CB 4.46Å; L855-A926 HydrophobicContact CD2-CB 4.1Å; L855-H947 HydrophobicContact CD2-CB 4.34Å
856	H	92.1	Very high	92.5	Very high	102 Å²	102	54 Å²	54	47%	0.472	27%	0.265	S	S	.	.	S	Bend	trans	-68.8	169.8	177	67.9	-84.2	0	0	0	112	E854 G928 N929	E854-H856 PolarHBondContact O-N 3.12Å; H856-G928 WeakPolarHBondContact O-CA 3.4Å; H856-G928 PolarHBondContact O-N 3.33Å; H856-N929 PolarHBondContact CE1-OD1 3.29Å; H856-N929 VanDerWaalsContact CE1-OD1 3.26Å; H856-N929 PolarHBondContact NE2-OD1 3.2Å; H856-N929 VanDerWaalsContact NE2-OD1 3.12Å
857	N	93	Very high	92.5	Very high	37 Å²	37	50 Å²	50	20%	0.198	25%	0.25	C	S	.	.			trans	57.6	54	177.8	-170.8	31	0	0	0	113.2	Q859 L927 G928 M930	N857-Q859 PolarHBondContact OD1-NE2 3.2Å; N857-L927 WeakPolarHBondContact O-CB 3.48Å; N857-L927 PolarHBondContact O-N 2.87Å; N857-L927 VanDerWaalsContact O-N 3.14Å; N857-G928 PolarHBondContact ND2-O 3.29Å; N857-G928 VanDerWaalsContact ND2-O 3.16Å; N857-M930 WeakPolarHBondContact ND2-CE 3.27Å; N857-M930 PolarHBondContact ND2-SD 3.04Å
858	R	94.4	Very high	92.4	Very high	68 Å²	68	43.1 Å²	43.1	26%	0.257	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.5	171.1	-61.2	179.5	-65	172.9	-9	109.1	Y849 E853 L855 E924 V925 A926 V968 Q969	Y849-R858 WeakPolarHBondContact OH-CD 3.33Å; E853-R858 PolarHBondContact O-NH1 3.45Å; E853-R858 VanDerWaalsContact O-NH1 3.12Å; L855-R858 VanDerWaalsContact O-CG 3.3Å; L855-R858 WeakPolarHBondContact O-CG 3.44Å; R858-E924 IonicContact CZ-OE1 3.95Å; R858-E924 IonicContact NE-OE1 3.95Å; R858-E924 IonicContact NH1-OE1 3.38Å; R858-E924 PolarHBondContact NH1-OE1 3.2Å; R858-V925 WeakPolarHBondContact CA-O 3.35Å; R858-A926 HydrophobicContact CG-CB 4.32Å; R858-V968 HydrophobicContact CB-CG1 4.43Å; R858-Q969 PolarHBondContact O-N 2.95Å
859	Q	94.8	Very high	92.3	Very high	19 Å²	19	39.4 Å²	39.4	9%	0.089	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.7	-177.5	-62.9	-166.8	-15.9	0	0	110.8	N857 L861 V925 L927 Q969	N857-Q859 PolarHBondContact OD1-NE2 3.2Å; Q859-L861 HydrophobicContact CB-CD1 4.42Å; Q859-L861 HydrophobicContact CB-CD2 4.15Å; Q859-L861 HydrophobicContact CB-CG 4.01Å; Q859-V925 PolarHBondContact N-O 3.27Å; Q859-V925 PolarHBondContact O-N 3.16Å; Q859-L927 HydrophobicContact CB-CD1 4.13Å; Q859-L927 HydrophobicContact CG-CD1 3.93Å; Q859-Q969 CarbonylContact C-O 3.52Å; Q859-Q969 WeakPolarHBondContact CA-O 3.39Å; Q859-Q969 HydrophobicContact CG-CB 4.3Å
860	L	95.9	Very high	92.3	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.5	171.6	-164.4	74	0	0	0	108.3	Y818 L922 A923 L965 V968 Q969 V970 K1001 Y1002	Y818-L860 PolarHBondContact OH-O 2.89Å; L860-L922 HydrophobicContact CD1-CB 4.21Å; L860-L922 HydrophobicContact CD2-CB 4.36Å; L860-L922 HydrophobicContact CD2-CD1 4.01Å; L860-L922 HydrophobicContact CD2-CD2 4.43Å; L860-L922 HydrophobicContact CG-CB 4.13Å; L860-L922 HydrophobicContact CG-CD2 4.18Å; L860-A923 WeakPolarHBondContact CA-O 3.47Å; L860-L965 HydrophobicContact CD2-CD2 4.41Å; L860-V968 HydrophobicContact CB-CG1 4.06Å; L860-Q969 PolarHBondContact N-O 3.06Å; L860-V970 HydrophobicContact CB-CG2 4.06Å; L860-V970 HydrophobicContact CD2-CG1 4.46Å; L860-V970 HydrophobicContact CD2-CG2 4.03Å; L860-K1001 HydrophobicContact CD1-CB 4.26Å; L860-K1001 HydrophobicContact CD1-CG 4.25Å; L860-Y1002 HydrophobicContact CD1-CD2 4.46Å; L860-Y1002 HydrophobicContact CD2-CD2 4.31Å; L860-Y1002 HydrophobicContact CD2-CE2 4.27Å
861	L	96.9	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155	-171.5	-60.6	174.4	0	0	0	112.4	Q859 F898 D900 L922 A923 V925 L927 P971 Y990	Q859-L861 HydrophobicContact CB-CD1 4.42Å; Q859-L861 HydrophobicContact CB-CD2 4.15Å; Q859-L861 HydrophobicContact CB-CG 4.01Å; L861-F898 HydrophobicContact CB-CB 3.8Å; L861-F898 HydrophobicContact CB-CD1 4.16Å; L861-F898 HydrophobicContact CB-CG 4.26Å; L861-F898 HydrophobicContact CD1-CB 3.89Å; L861-D900 HydrophobicContact CD2-CB 4.08Å; L861-L922 WeakPolarHBondContact O-CA 3.34Å; L861-A923 PolarHBondContact N-O 3.3Å; L861-A923 PolarHBondContact O-N 3.35Å; L861-A923 VanDerWaalsContact O-N 3.08Å; L861-V925 HydrophobicContact CB-CG2 4.46Å; L861-V925 HydrophobicContact CD1-CB 4.28Å; L861-V925 HydrophobicContact CD1-CG2 4.39Å; L861-L927 HydrophobicContact CD1-CD1 4.31Å; L861-L927 HydrophobicContact CD1-CD2 4.3Å; L861-P971 HydrophobicContact CD2-CG 4.31Å; L861-Y990 HydrophobicContact CD1-CD1 4.3Å; L861-Y990 HydrophobicContact CD1-CD2 3.67Å; L861-Y990 HydrophobicContact CD1-CE2 4.42Å; L861-Y990 HydrophobicContact CD1-CG 3.61Å; L861-Y990 HydrophobicContact CD2-CD2 3.96Å; L861-Y990 HydrophobicContact CD2-CE2 3.97Å; L861-Y990 HydrophobicContact CG-CD2 4.46Å
862	W	97.3	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.3	-177.9	-61.5	104.5	0	0	0	112.3	Y818 V819 F898 A899 V902 S905 I920 L921 L922 L1004	Y818-W862 AromaticContact CD1-CE2 3.76Å; Y818-W862 HydrophobicContact CD1-CH2 4.4Å; Y818-W862 AromaticContact CD1-CZ2 3.44Å; Y818-W862 HydrophobicContact CD1-CZ2 3.44Å; Y818-W862 VanDerWaalsContact CD1-CZ2 3.44Å; Y818-W862 AromaticContact CD1-NE1 3.77Å; Y818-W862 HydrophobicContact CD2-CZ2 4.29Å; Y818-W862 AromaticContact CD2-NE1 3.82Å; Y818-W862 AromaticContact CE1-CE2 3.66Å; Y818-W862 AromaticContact CE1-CZ2 3.87Å; Y818-W862 HydrophobicContact CE1-CZ2 3.87Å; Y818-W862 AromaticContact CE1-NE1 3.33Å; Y818-W862 VanDerWaalsContact CE1-NE1 3.33Å; Y818-W862 AromaticContact CE2-NE1 3.38Å; Y818-W862 AromaticContact CG-CZ2 3.69Å; Y818-W862 HydrophobicContact CG-CZ2 3.69Å; Y818-W862 AromaticContact CG-NE1 4Å; Y818-W862 AromaticContact CZ-CD1 3.72Å; Y818-W862 AromaticContact CZ-CE2 3.94Å; Y818-W862 AromaticContact CZ-NE1 3.11Å; Y818-W862 PolarHBondContact OH-NE1 3.44Å; V819-W862 HydrophobicContact CG2-CH2 3.45Å; V819-W862 VanDerWaalsContact CG2-CH2 3.45Å; V819-W862 HydrophobicContact CG2-CZ2 3.83Å; V819-W862 HydrophobicContact CG2-CZ3 4.37Å; W862-F898 WeakPolarHBondContact O-CA 3.05Å; W862-A899 WeakPolarHBondContact CB-O 3.32Å; W862-A899 PolarHBondContact N-O 2.94Å; W862-A899 PolarHBondContact O-N 2.8Å; W862-V902 HydrophobicContact CD2-CB 4.06Å; W862-V902 HydrophobicContact CD2-CG2 3.85Å; W862-V902 HydrophobicContact CE3-CG2 4.03Å; W862-V902 HydrophobicContact CG-CB 4.3Å; W862-V902 HydrophobicContact CG-CG2 4.43Å; W862-V902 HydrophobicContact CH2-CG2 4.19Å; W862-V902 HydrophobicContact CZ2-CB 4.14Å; W862-V902 HydrophobicContact CZ2-CG2 4.01Å; W862-V902 HydrophobicContact CZ3-CG2 4.18Å; W862-S905 WeakPolarHBondContact CB-OG 3.45Å; W862-S905 PolarHBondContact O-OG 3.07Å; W862-I920 HydrophobicContact CB-CD1 4.37Å; W862-I920 HydrophobicContact CD2-CD1 4.31Å; W862-I920 HydrophobicContact CE3-CD1 3.76Å; W862-I920 HydrophobicContact CE3-CG1 3.97Å; W862-I920 HydrophobicContact CE3-CG2 4.21Å; W862-I920 HydrophobicContact CZ3-CD1 4.45Å; W862-I920 HydrophobicContact CZ3-CG2 3.99Å; W862-L921 WeakPolarHBondContact CA-O 3.41Å; W862-L922 HydrophobicContact CD2-CD2 3.34Å; W862-L922 HydrophobicContact CD2-CG 4.14Å; W862-L922 HydrophobicContact CE3-CD1 4.38Å; W862-L922 HydrophobicContact CE3-CD2 3.29Å; W862-L922 HydrophobicContact CE3-CG 3.55Å; W862-L922 HydrophobicContact CG-CD2 4Å; W862-L922 HydrophobicContact CH2-CD1 3.56Å; W862-L922 HydrophobicContact CH2-CD2 3.71Å; W862-L922 HydrophobicContact CH2-CG 3.68Å; W862-L922 HydrophobicContact CZ2-CD1 4.17Å; W862-L922 HydrophobicContact CZ2-CD2 3.76Å; W862-L922 HydrophobicContact CZ2-CG 4.25Å; W862-L922 HydrophobicContact CZ3-CD1 3.7Å; W862-L922 HydrophobicContact CZ3-CD2 3.49Å; W862-L922 VanDerWaalsContact CZ3-CD2 3.49Å; W862-L922 HydrophobicContact CZ3-CG 3.31Å; W862-L1004 HydrophobicContact CH2-CD1 4.43Å; W862-L1004 HydrophobicContact CH2-CD2 3.73Å; W862-L1004 HydrophobicContact CZ3-CD1 3.96Å; W862-L1004 HydrophobicContact CZ3-CD2 3.76Å; W862-L1004 HydrophobicContact CZ3-CG 4.45Å
863	H	95.8	Very high	92.1	Very high	29 Å²	29	30.7 Å²	30.7	13%	0.134	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.6	167.1	-179.7	85.2	0	0	0	109.6	L878 Y897 F898 I920 L921	H863-L878 HydrophobicContact CB-CD1 4.45Å; H863-L878 WeakPolarHBondContact NE2-CD2 3.22Å; H863-Y897 PolarHBondContact ND1-O 2.84Å; H863-F898 HydrophobicContact CB-CD1 3.8Å; H863-F898 HydrophobicContact CB-CE1 3.77Å; H863-I920 WeakPolarHBondContact O-CG1 3.32Å; H863-L921 HydrophobicContact CB-CB 4.27Å; H863-L921 PolarHBondContact N-O 3.19Å; H863-L921 PolarHBondContact O-N 2.96Å
864	G	93.7	Very high	92.3	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.1	176.7	0	0	0	0	0	110.9	S905 Y908	G864-S905 WeakPolarHBondContact CA-O 3.47Å; G864-Y908 VanDerWaalsContact O-CB 3.28Å; G864-Y908 WeakPolarHBondContact O-CB 3.39Å
865	S	92.2	Very high	92.5	Very high	16 Å²	16	19.7 Å²	19.7	11%	0.112	10%	0.102	C	C	.	.			trans	-155.3	163.8	177.8	-178.6	0	0	0	0	108.8	N869 Y870 Y908 C909	S865-N869 WeakPolarHBondContact OG-CB 3.32Å; S865-N869 PolarHBondContact OG-ND2 3.31Å; S865-N869 VanDerWaalsContact OG-ND2 3.14Å; S865-Y870 WeakPolarHBondContact O-CE2 3.06Å; S865-Y908 CarbonylContact C-O 3.57Å; S865-Y908 VanDerWaalsContact CA-O 3.32Å; S865-Y908 WeakPolarHBondContact CA-O 3.5Å; S865-C909 WeakPolarHBondContact O-CA 3.35Å
866	R	90.3	Very high	92.4	Very high	20 Å²	20	22.1 Å²	22.1	8%	0.075	11%	0.113	C	C	.	.			trans	-58.9	144.8	173.6	-62.9	-170.5	-179.8	-133	1.3	110.9	E689 E764 N768 T868 N869 Y870 Y908 H910	E689-R866 IonicContact OE1-NH1 3.88Å; E689-R866 IonicContact OE1-NH2 3.1Å; E689-R866 IonicContact OE2-CZ 4Å; E689-R866 IonicContact OE2-NH1 3.14Å; E689-R866 PolarHBondContact OE2-NH1 3.02Å; E764-R866 IonicContact OE1-NE 3.91Å; E764-R866 IonicContact OE1-NH2 3.28Å; E764-R866 PolarHBondContact OE1-NH2 3.11Å; N768-R866 WeakPolarHBondContact OD1-CD 3.41Å; R866-T868 PolarHBondContact O-N 3.48Å; R866-T868 VanDerWaalsContact O-N 3.16Å; R866-N869 PolarHBondContact O-N 3.46Å; R866-Y870 WeakPolarHBondContact O-CD2 3.4Å; R866-Y908 PolarHBondContact N-O 2.97Å; R866-H910 HydrophobicContact CG-CB 4.14Å; R866-H910 PolarHBondContact NE-CD2 3.43Å; R866-H910 PolarHBondContact NH2-ND1 3.4Å
867	A	90.2	Very high	92.4	Very high	26 Å²	26	17.3 Å²	17.3	22%	0.215	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-55	-34.2	179.7	0	0	0	0	0	113	N869 Y870	A867-N869 PolarHBondContact O-N 3.34Å; A867-Y870 PolarHBondContact O-N 2.84Å
868	T	87.6	Confident	92.4	Very high	14 Å²	14	16.1 Å²	16.1	9%	0.086	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.5	-27.5	177.4	50.9	0	0	0	0	113.8	M683 A686 R866	M683-T868 HydrophobicContact CB-CG2 4.5Å; M683-T868 HydrophobicContact CG-CG2 3.94Å; A686-T868 HydrophobicContact CB-CG2 4.25Å; R866-T868 PolarHBondContact O-N 3.48Å; R866-T868 VanDerWaalsContact O-N 3.16Å
869	N	90.4	Very high	92.2	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.037	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-86.1	-17	-173.8	-58	-3.1	0	0	0	111.6	N768 D771 S865 R866 A867 A871 G872 I873	N768-N869 PolarHBondContact OD1-ND2 3.15Å; N768-N869 PolarHBondContact OD1-OD1 3.33Å; D771-N869 HydrophobicContact CB-CB 3.99Å; D771-N869 WeakPolarHBondContact OD2-CB 3.38Å; D771-N869 PolarHBondContact OD2-ND2 3.06Å; S865-N869 WeakPolarHBondContact OG-CB 3.32Å; S865-N869 PolarHBondContact OG-ND2 3.31Å; S865-N869 VanDerWaalsContact OG-ND2 3.14Å; R866-N869 PolarHBondContact O-N 3.46Å; A867-N869 PolarHBondContact O-N 3.34Å; N869-A871 VanDerWaalsContact C-N 3.27Å; N869-A871 PolarHBondContact O-N 3.34Å; N869-G872 WeakPolarHBondContact O-CA 3.41Å; N869-G872 PolarHBondContact O-N 2.83Å; N869-I873 HydrophobicContact CB-CD1 4.14Å; N869-I873 WeakPolarHBondContact O-CG1 3.23Å; N869-I873 PolarHBondContact O-N 3.02Å
870	Y	92.2	Very high	92	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-28.5	-177.1	-85.5	-88.7	0	0	0	114	S865 R866 A867 G872 I873 L874 L919 I920 L921 L1003	S865-Y870 WeakPolarHBondContact O-CE2 3.06Å; R866-Y870 WeakPolarHBondContact O-CD2 3.4Å; A867-Y870 PolarHBondContact O-N 2.84Å; Y870-G872 VanDerWaalsContact C-N 3.31Å; Y870-G872 PolarHBondContact O-N 2.77Å; Y870-I873 PolarHBondContact O-N 2.79Å; Y870-L874 VanDerWaalsContact O-CB 3.27Å; Y870-L874 WeakPolarHBondContact O-CB 3.42Å; Y870-L874 VanDerWaalsContact O-CG 3.26Å; Y870-L874 WeakPolarHBondContact O-CG 3.25Å; Y870-L874 PolarHBondContact O-N 3.39Å; Y870-L919 HydrophobicContact CD1-CB 4.35Å; Y870-L919 HydrophobicContact CD1-CD1 4.25Å; Y870-L919 HydrophobicContact CD2-CB 3.77Å; Y870-L919 HydrophobicContact CD2-CD1 3.89Å; Y870-L919 HydrophobicContact CD2-CG 4.47Å; Y870-L919 HydrophobicContact CE1-CB 4.06Å; Y870-L919 HydrophobicContact CE2-CB 3.42Å; Y870-L919 VanDerWaalsContact CE2-CB 3.42Å; Y870-L919 HydrophobicContact CE2-CD1 4.43Å; Y870-L919 WeakPolarHBondContact CE2-O 3.44Å; Y870-L919 HydrophobicContact CG-CB 4.2Å; Y870-L919 HydrophobicContact CG-CD1 3.78Å; Y870-L919 PolarHBondContact OH-O 3.04Å; Y870-I920 WeakPolarHBondContact OH-CA 2.98Å; Y870-I920 PolarHBondContact OH-N 2.83Å; Y870-L921 HydrophobicContact CD1-CD1 4.46Å; Y870-L921 HydrophobicContact CE1-CD1 3.63Å; Y870-L921 HydrophobicContact CE1-CD2 3.98Å; Y870-L921 HydrophobicContact CE1-CG 3.53Å; Y870-L921 PolarHBondContact OH-N 3.16Å; Y870-L1003 HydrophobicContact CD1-CD1 3.85Å; Y870-L1003 HydrophobicContact CE1-CD1 3.36Å
871	A	89.6	Confident	91.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-40.4	171.6	0	0	0	0	0	111.6	F678 A775 N869 S875	F678-A871 HydrophobicContact CE1-CB 4.13Å; F678-A871 HydrophobicContact CZ-CB 4.22Å; A775-A871 HydrophobicContact CB-CB 3.69Å; N869-A871 VanDerWaalsContact C-N 3.27Å; N869-A871 PolarHBondContact O-N 3.34Å; A871-S875 WeakPolarHBondContact O-CB 3.41Å; A871-S875 PolarHBondContact O-N 3.31Å; A871-S875 PolarHBondContact O-OG 3.49Å
872	G	89.3	Confident	90.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-71.3	-43.8	173.8	0	0	0	0	0	112.9	N869 Y870 S875 Q876	N869-G872 WeakPolarHBondContact O-CA 3.41Å; N869-G872 PolarHBondContact O-N 2.83Å; Y870-G872 VanDerWaalsContact C-N 3.31Å; Y870-G872 PolarHBondContact O-N 2.77Å; G872-S875 PolarHBondContact O-N 2.92Å; G872-S875 PolarHBondContact O-OG 2.93Å; G872-Q876 PolarHBondContact O-N 3.17Å
873	I	92.4	Very high	90.1	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.046	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-42.4	-179	-63.3	165	0	0	0	111.3	N869 Y870 S875 G877 L878 L921 L1000	N869-I873 HydrophobicContact CB-CD1 4.14Å; N869-I873 WeakPolarHBondContact O-CG1 3.23Å; N869-I873 PolarHBondContact O-N 3.02Å; Y870-I873 PolarHBondContact O-N 2.79Å; I873-S875 VanDerWaalsContact C-N 3.35Å; I873-S875 PolarHBondContact O-N 3.41Å; I873-G877 CarbonylContact O-C 3.54Å; I873-G877 WeakPolarHBondContact O-CA 3.5Å; I873-G877 PolarHBondContact O-N 2.79Å; I873-L878 HydrophobicContact CD1-CD2 4.16Å; I873-L878 HydrophobicContact CG1-CD2 4.13Å; I873-L878 HydrophobicContact CG2-CD2 3.68Å; I873-L878 HydrophobicContact CG2-CG 4.13Å; I873-L921 HydrophobicContact CG2-CD1 3.73Å; I873-L1000 HydrophobicContact CG2-CD1 4.21Å
874	L	92.4	Very high	89.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-34.7	178.4	-70.5	175.6	0	0	0	111.7	I677 L798 T800 I802 V840 R842 Y870 L1003	I677-L874 HydrophobicContact CD1-CD1 4Å; L798-L874 HydrophobicContact CD1-CD1 4.13Å; L798-L874 HydrophobicContact CD2-CB 4.15Å; T800-L874 HydrophobicContact CG2-CB 4.1Å; T800-L874 WeakPolarHBondContact CG2-O 3.5Å; I802-L874 HydrophobicContact CD1-CD1 4.31Å; V840-L874 HydrophobicContact CG1-CD2 3.84Å; R842-L874 PolarHBondContact NH1-O 3Å; Y870-L874 VanDerWaalsContact O-CB 3.27Å; Y870-L874 WeakPolarHBondContact O-CB 3.42Å; Y870-L874 VanDerWaalsContact O-CG 3.26Å; Y870-L874 WeakPolarHBondContact O-CG 3.25Å; Y870-L874 PolarHBondContact O-N 3.39Å; L874-L1003 HydrophobicContact CD1-CD2 4.34Å; L874-L1003 HydrophobicContact CD2-CD2 4.49Å
875	S	90.8	Very high	89	Confident	20 Å²	20	27.2 Å²	27.2	14%	0.14	15%	0.15	C	C	.	.	H	α-helix	trans	-81.7	-40.2	-179.7	58.8	0	0	0	0	114.6	L778 L798 R842 A871 G872 I873	L778-S875 VanDerWaalsContact CD1-OG 3.23Å; L778-S875 WeakPolarHBondContact CD1-OG 3.37Å; L798-S875 WeakPolarHBondContact O-CA 3.35Å; R842-S875 PolarHBondContact NH1-O 3.47Å; A871-S875 WeakPolarHBondContact O-CB 3.41Å; A871-S875 PolarHBondContact O-N 3.31Å; A871-S875 PolarHBondContact O-OG 3.49Å; G872-S875 PolarHBondContact O-N 2.92Å; G872-S875 PolarHBondContact O-OG 2.93Å; I873-S875 VanDerWaalsContact C-N 3.35Å; I873-S875 PolarHBondContact O-N 3.41Å
876	Q	89.9	Confident	88.6	Confident	85 Å²	85	26.4 Å²	26.4	40%	0.397	14%	0.144	S	C	.	.	H	α-helix	trans	-109.5	-15.3	-175.3	-59.6	-174.9	11.2	0	0	114.4	R842 G872	R842-Q876 VanDerWaalsContact CZ-C 3.44Å; R842-Q876 PolarHBondContact NH2-O 3.04Å; G872-Q876 PolarHBondContact O-N 3.17Å
877	G	91.7	Very high	88	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.01	15%	0.153	C	C	.	.			trans	88.3	178.8	-173.2	0	0	0	0	0	111.6	R842 I873	R842-G877 VanDerWaalsContact CZ-CA 3.46Å; R842-G877 VanDerWaalsContact NH1-N 3.11Å; I873-G877 CarbonylContact O-C 3.54Å; I873-G877 WeakPolarHBondContact O-CA 3.5Å; I873-G877 PolarHBondContact O-N 2.79Å
878	L	92.4	Very high	87	Confident	12 Å²	12	26.9 Å²	26.9	6%	0.063	15%	0.147	C	C	.	.	S	Bend	trans	-68.9	132.9	171.1	-67.7	174	0	0	0	109.9	H863 I873 V896 F898 V995 I998 L1000	H863-L878 HydrophobicContact CB-CD1 4.45Å; H863-L878 WeakPolarHBondContact NE2-CD2 3.22Å; I873-L878 HydrophobicContact CD1-CD2 4.16Å; I873-L878 HydrophobicContact CG1-CD2 4.13Å; I873-L878 HydrophobicContact CG2-CD2 3.68Å; I873-L878 HydrophobicContact CG2-CG 4.13Å; L878-V896 HydrophobicContact CB-CG1 3.94Å; L878-V896 HydrophobicContact CB-CG2 4.33Å; L878-V896 HydrophobicContact CD1-CG1 3.84Å; L878-V896 HydrophobicContact CG-CG1 4.38Å; L878-F898 HydrophobicContact CD1-CE1 3.9Å; L878-F898 HydrophobicContact CD1-CZ 3.65Å; L878-V995 WeakPolarHBondContact O-CG1 3.35Å; L878-I998 HydrophobicContact CB-CD1 4.31Å; L878-I998 HydrophobicContact CD1-CG2 4.21Å; L878-L1000 HydrophobicContact CD1-CD2 3.95Å; L878-L1000 HydrophobicContact CG-CD2 4.29Å
879	R	90.1	Very high	86.1	Confident	84 Å²	84	27.8 Å²	27.8	32%	0.317	16%	0.158	S	C	.	.			trans	-116.8	148.7	-175.1	-62	179.2	-66.3	172.4	7.3	109.9	D771	D771-R879 IonicContact OD1-CZ 2.91Å; D771-R879 IonicContact OD1-NH2 3.96Å; D771-R879 PolarHBondContact OD1-NH2 2.93Å
880	I	89.9	Confident	85.6	Confident	53 Å²	53	29.2 Å²	29.2	27%	0.272	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-83.1	143.8	169.4	-60.1	170	0	0	0	107.8	K894 V896 Y993 V995	I880-K894 HydrophobicContact CG2-CB 3.95Å; I880-V896 HydrophobicContact CG1-CG2 3.93Å; I880-Y993 VanDerWaalsContact CD1-C 3.45Å; I880-Y993 WeakPolarHBondContact CD1-O 3.42Å; I880-V995 HydrophobicContact CD1-CG1 4.15Å; I880-V995 HydrophobicContact CG1-CG1 3.94Å
881	A	84.3	Confident	85.1	Confident	20 Å²	20	33.3 Å²	33.3	17%	0.165	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-51.4	141.5	174.8	0	0	0	0	0	111.1	A885 Y890 K894	A881-A885 HydrophobicContact CB-CB 4.38Å; A881-Y890 HydrophobicContact CB-CE2 4.13Å; A881-Y890 WeakPolarHBondContact CB-OH 3.2Å; A881-K894 HydrophobicContact CB-CD 4.47Å; A881-K894 HydrophobicContact CB-CG 4.41Å
882	P	84.4	Confident	85.1	Confident	26 Å²	26	33.3 Å²	33.3	17%	0.169	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-62.5	155.7	-175.3	25.3	-33	0	0	0	112.2	Y711 E884 A885 K894	Y711-P882 HydrophobicContact CD2-CG 3.97Å; Y711-P882 HydrophobicContact CE2-CG 3.81Å; Y711-P882 HydrophobicContact CG-CG 4.48Å; P882-E884 WeakPolarHBondContact CB-OE2 3.41Å; P882-E884 PolarHBondContact O-N 3.36Å; P882-E884 VanDerWaalsContact O-N 3.15Å; P882-A885 HydrophobicContact CG-CB 4.07Å; P882-A885 WeakPolarHBondContact O-CB 3.38Å; P882-A885 PolarHBondContact O-N 3.03Å; P882-K894 PolarHBondContact O-NZ 3.01Å
883	P	82.5	Confident	85	Confident	110 Å²	110	33.3 Å²	33.3	71%	0.714	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.5	-178.6	23.5	-32	0	0	0	112.8	K894	P883-K894 PolarHBondContact O-NZ 2.81Å
884	E	83.6	Confident	84.8	Confident	66 Å²	66	34.8 Å²	34.8	31%	0.308	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.6	177.8	-57.1	81.8	-178.6	0	0	113.9	Y711 A712 T715 P882	Y711-E884 CarbonylContact C-O 3.55Å; Y711-E884 VanDerWaalsContact C-O 3.3Å; A712-E884 HydrophobicContact CB-CB 4.49Å; T715-E884 PolarHBondContact OG1-O 3.38Å; P882-E884 WeakPolarHBondContact CB-OE2 3.41Å; P882-E884 PolarHBondContact O-N 3.36Å; P882-E884 VanDerWaalsContact O-N 3.15Å
885	A	83.5	Confident	84.8	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.017	19%	0.194	C	C	.	.	S	Bend	trans	-66.3	148.2	-179	0	0	0	0	0	112	Y711 T715 A881 P882 K894	Y711-A885 HydrophobicContact CD1-CB 3.53Å; Y711-A885 HydrophobicContact CE1-CB 3.89Å; Y711-A885 HydrophobicContact CG-CB 4.1Å; T715-A885 VanDerWaalsContact OG1-C 3.26Å; A881-A885 HydrophobicContact CB-CB 4.38Å; P882-A885 HydrophobicContact CG-CB 4.07Å; P882-A885 WeakPolarHBondContact O-CB 3.38Å; P882-A885 PolarHBondContact O-N 3.03Å; A885-K894 WeakPolarHBondContact O-CE 3.31Å; A885-K894 PolarHBondContact O-NZ 3.37Å
886	P	82	Confident	84.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.			trans	-66.9	155.6	174.7	27.7	-35.5	0	0	0	111	L714 T715 Q718 V763 Y890	L714-P886 HydrophobicContact CB-CG 4.15Å; T715-P886 VanDerWaalsContact OG1-CA 3.27Å; T715-P886 WeakPolarHBondContact OG1-CA 3.49Å; Q718-P886 HydrophobicContact CB-CB 4.35Å; V763-P886 HydrophobicContact CB-CG 4.39Å; V763-P886 HydrophobicContact CG1-CG 4.31Å; V763-P886 HydrophobicContact CG2-CG 3.16Å; P886-Y890 WeakPolarHBondContact O-CE2 3.38Å
887	V	79.5	Confident	85	Confident	41 Å²	41	32.7 Å²	32.7	25%	0.248	18%	0.179	C	C	.	.	S	Bend	trans	-86.6	-21.6	178.6	-175.2	0	0	0	0	111	G889 Y890 H938	V887-G889 PolarHBondContact O-N 2.9Å; V887-Y890 PolarHBondContact O-N 3.43Å; V887-Y890 VanDerWaalsContact O-N 3.16Å; V887-H938 HydrophobicContact CG1-CB 3.96Å
888	T	68.1	Low	85.3	Confident	15 Å²	15	32.9 Å²	32.9	9%	0.092	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	133.9	175.9	44.4	0	0	0	0	111.9	Q718 L756	Q718-T888 HydrophobicContact CG-CG2 3.45Å; Q718-T888 VanDerWaalsContact CG-CG2 3.45Å; Q718-T888 WeakPolarHBondContact CG-OG1 3.45Å; Q718-T888 PolarHBondContact OE1-OG1 3.18Å; L756-T888 HydrophobicContact CD2-CG2 4.15Å
889	G	69.6	Low	85.4	Confident	32 Å²	32	32.4 Å²	32.4	33%	0.33	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	102	-21.1	-170.9	0	0	0	0	0	113.2	Q760 V887	Q760-G889 PolarHBondContact NE2-O 3.25Å; V887-G889 PolarHBondContact O-N 2.9Å
890	Y	80.1	Confident	85.7	Confident	38 Å²	38	28.5 Å²	28.5	15%	0.149	16%	0.163	C	C	.	.			trans	-99.4	108.4	171.1	-53.1	-72.1	0	0	0	110.2	D767 A881 P886 V887 F892 G893 K894 Y897 H938	D767-Y890 PolarHBondContact OD2-OH 3.47Å; A881-Y890 HydrophobicContact CB-CE2 4.13Å; A881-Y890 WeakPolarHBondContact CB-OH 3.2Å; P886-Y890 WeakPolarHBondContact O-CE2 3.38Å; V887-Y890 PolarHBondContact O-N 3.43Å; V887-Y890 VanDerWaalsContact O-N 3.16Å; Y890-F892 PolarHBondContact O-N 3.23Å; Y890-G893 VanDerWaalsContact CB-O 3.32Å; Y890-G893 WeakPolarHBondContact CB-O 3.34Å; Y890-G893 PolarHBondContact O-N 3.25Å; Y890-K894 HydrophobicContact CD2-CG 4.36Å; Y890-Y897 AromaticContact CD1-CE2 3.87Å; Y890-Y897 HydrophobicContact CD1-CE2 3.87Å; Y890-Y897 HydrophobicContact CG-CE2 4.48Å; Y890-H938 PolarHBondContact O-ND1 2.67Å
891	M	81.8	Confident	85.9	Confident	86 Å²	86	26.1 Å²	26.1	42%	0.424	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.3	-175.3	-67.1	-166.6	-172.5	0	0	113.9	Y897 A936 S937 L985	M891-Y897 PolarHBondContact N-OH 3.22Å; M891-A936 HydrophobicContact CB-CB 4.39Å; M891-A936 CarbonylContact O-C 3.41Å; M891-A936 WeakPolarHBondContact O-CA 3.38Å; M891-S937 PolarHBondContact O-N 3.43Å; M891-L985 HydrophobicContact CE-CD2 4.48Å; M891-L985 HydrophobicContact SD-CD2 3.54Å; M891-L985 VanDerWaalsContact SD-CD2 3.54Å
892	F	87.9	Confident	86.4	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	17.5	-173.9	-62.9	-64.9	0	0	0	113.1	Y890 Y897 L933 K935 S937 V949 L985 I991 Y993	Y890-F892 PolarHBondContact O-N 3.23Å; F892-Y897 WeakPolarHBondContact CA-OH 3.22Å; F892-Y897 HydrophobicContact CD2-CE1 4.35Å; F892-Y897 PolarHBondContact N-OH 2.96Å; F892-L933 HydrophobicContact CD1-CB 4.3Å; F892-L933 HydrophobicContact CD1-CD1 3.45Å; F892-L933 VanDerWaalsContact CD1-CD1 3.45Å; F892-L933 HydrophobicContact CE1-CB 3.58Å; F892-L933 HydrophobicContact CE1-CD1 3.56Å; F892-L933 HydrophobicContact CE1-CG 4.25Å; F892-L933 HydrophobicContact CZ-CB 4.26Å; F892-K935 WeakPolarHBondContact CE1-O 3.33Å; F892-S937 CarbonylContact C-O 3.54Å; F892-S937 VanDerWaalsContact CA-O 3.28Å; F892-S937 WeakPolarHBondContact CA-O 3.44Å; F892-V949 HydrophobicContact CB-CG1 4.26Å; F892-V949 HydrophobicContact CD1-CG1 4.15Å; F892-V949 HydrophobicContact CG-CG1 4.1Å; F892-L985 HydrophobicContact CE2-CD1 3.94Å; F892-L985 HydrophobicContact CZ-CD1 3.74Å; F892-I991 HydrophobicContact CB-CD1 4.04Å; F892-I991 HydrophobicContact CB-CG1 4.27Å; F892-I991 HydrophobicContact CD2-CD1 3.43Å; F892-I991 VanDerWaalsContact CD2-CD1 3.43Å; F892-I991 HydrophobicContact CD2-CG1 4.33Å; F892-I991 HydrophobicContact CE2-CD1 4.19Å; F892-I991 HydrophobicContact CG-CD1 3.99Å; F892-Y993 PolarHBondContact O-OH 3.3Å
893	G	87.8	Confident	86.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	84	-177.2	-175.3	0	0	0	0	0	113.7	Y890 G895 Y897	Y890-G893 VanDerWaalsContact CB-O 3.32Å; Y890-G893 WeakPolarHBondContact CB-O 3.34Å; Y890-G893 PolarHBondContact O-N 3.25Å; G893-G895 PolarHBondContact O-N 2.88Å; G893-Y897 PolarHBondContact O-OH 2.97Å
894	K	89.5	Confident	87.4	Confident	40 Å²	40	19.9 Å²	19.9	17%	0.174	11%	0.105	C	C	.	.	S	Bend	trans	-76	111.1	-171.6	-57.9	178.3	-174.8	-175.4	0	110.8	I880 A881 P882 P883 A885 Y890 Y993	I880-K894 HydrophobicContact CG2-CB 3.95Å; A881-K894 HydrophobicContact CB-CD 4.47Å; A881-K894 HydrophobicContact CB-CG 4.41Å; P882-K894 PolarHBondContact O-NZ 3.01Å; P883-K894 PolarHBondContact O-NZ 2.81Å; A885-K894 WeakPolarHBondContact O-CE 3.31Å; A885-K894 PolarHBondContact O-NZ 3.37Å; Y890-K894 HydrophobicContact CD2-CG 4.36Å; K894-Y993 WeakPolarHBondContact O-CD1 3.37Å
895	G	90.6	Very high	87.9	Confident	8 Å²	8	17 Å²	17	8%	0.082	9%	0.093	C	C	.	.	S	Bend	trans	-160.6	179.8	176.4	0	0	0	0	0	110.6	G893 Y897 V992	G893-G895 PolarHBondContact O-N 2.88Å; G895-Y897 WeakPolarHBondContact O-CD2 3.5Å; G895-V992 CarbonylContact C-O 3.57Å; G895-V992 WeakPolarHBondContact CA-O 3.47Å
896	V	92.9	Very high	88.4	Confident	5 Å²	5	17 Å²	17	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.3	172.1	-172.2	0	0	0	0	108.7	L878 I880 F898 I991 V992 I998	L878-V896 HydrophobicContact CB-CG1 3.94Å; L878-V896 HydrophobicContact CB-CG2 4.33Å; L878-V896 HydrophobicContact CD1-CG1 3.84Å; L878-V896 HydrophobicContact CG-CG1 4.38Å; I880-V896 HydrophobicContact CG1-CG2 3.93Å; V896-F898 HydrophobicContact CB-CE2 3.94Å; V896-F898 HydrophobicContact CG1-CD2 4.26Å; V896-F898 HydrophobicContact CG1-CE2 3.45Å; V896-F898 VanDerWaalsContact CG1-CE2 3.45Å; V896-F898 HydrophobicContact CG1-CZ 3.66Å; V896-I991 WeakPolarHBondContact O-CA 3.49Å; V896-V992 HydrophobicContact CB-CG2 4.03Å; V896-V992 PolarHBondContact N-O 3.17Å; V896-V992 PolarHBondContact O-N 3.1Å; V896-I998 HydrophobicContact CB-CD1 3.7Å; V896-I998 HydrophobicContact CG1-CD1 3.82Å; V896-I998 HydrophobicContact CG2-CD1 3.67Å
897	Y	93.6	Very high	88.9	Confident	48 Å²	48	20.3 Å²	20.3	19%	0.188	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.4	-175.4	-75.9	-102.6	0	0	0	111.5	H863 Y890 M891 F892 G893 G895 I991	H863-Y897 PolarHBondContact ND1-O 2.84Å; Y890-Y897 AromaticContact CD1-CE2 3.87Å; Y890-Y897 HydrophobicContact CD1-CE2 3.87Å; Y890-Y897 HydrophobicContact CG-CE2 4.48Å; M891-Y897 PolarHBondContact N-OH 3.22Å; F892-Y897 WeakPolarHBondContact CA-OH 3.22Å; F892-Y897 HydrophobicContact CD2-CE1 4.35Å; F892-Y897 PolarHBondContact N-OH 2.96Å; G893-Y897 PolarHBondContact O-OH 2.97Å; G895-Y897 WeakPolarHBondContact O-CD2 3.5Å; Y897-I991 HydrophobicContact CD1-CD1 4.25Å; Y897-I991 HydrophobicContact CD1-CG1 3.53Å; Y897-I991 HydrophobicContact CE1-CD1 4.03Å; Y897-I991 HydrophobicContact CE1-CG1 3.42Å; Y897-I991 VanDerWaalsContact CE1-CG1 3.42Å; Y897-I991 HydrophobicContact CE2-CG1 4.45Å; Y897-I991 HydrophobicContact CE2-CG2 4.36Å; Y897-I991 HydrophobicContact CG-CG1 4.1Å
898	F	96.3	Very high	89.4	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.1	176.2	-64.6	-87.2	0	0	0	110.7	L861 W862 H863 L878 V896 A923 V925 E989 Y990 V992 I998	L861-F898 HydrophobicContact CB-CB 3.8Å; L861-F898 HydrophobicContact CB-CD1 4.16Å; L861-F898 HydrophobicContact CB-CG 4.26Å; L861-F898 HydrophobicContact CD1-CB 3.89Å; W862-F898 WeakPolarHBondContact O-CA 3.05Å; H863-F898 HydrophobicContact CB-CD1 3.8Å; H863-F898 HydrophobicContact CB-CE1 3.77Å; L878-F898 HydrophobicContact CD1-CE1 3.9Å; L878-F898 HydrophobicContact CD1-CZ 3.65Å; V896-F898 HydrophobicContact CB-CE2 3.94Å; V896-F898 HydrophobicContact CG1-CD2 4.26Å; V896-F898 HydrophobicContact CG1-CE2 3.45Å; V896-F898 VanDerWaalsContact CG1-CE2 3.45Å; V896-F898 HydrophobicContact CG1-CZ 3.66Å; F898-A923 HydrophobicContact CE1-CB 3.7Å; F898-A923 HydrophobicContact CZ-CB 4.25Å; F898-V925 HydrophobicContact CD1-CG2 3.9Å; F898-V925 HydrophobicContact CD2-CG1 4.36Å; F898-V925 HydrophobicContact CD2-CG2 3.94Å; F898-V925 HydrophobicContact CE1-CG2 3.76Å; F898-V925 HydrophobicContact CE2-CG1 4.29Å; F898-V925 HydrophobicContact CE2-CG2 3.77Å; F898-V925 HydrophobicContact CG-CG2 4Å; F898-V925 HydrophobicContact CZ-CG2 3.68Å; F898-E989 WeakPolarHBondContact O-CA 3.33Å; F898-Y990 PolarHBondContact N-O 2.77Å; F898-Y990 PolarHBondContact O-N 2.75Å; F898-V992 HydrophobicContact CD2-CG2 4.48Å; F898-V992 HydrophobicContact CE2-CG2 3.92Å; F898-I998 HydrophobicContact CE2-CD1 3.89Å; F898-I998 HydrophobicContact CE2-CG1 4.04Å; F898-I998 HydrophobicContact CZ-CD1 3.89Å; F898-I998 HydrophobicContact CZ-CG1 4Å; F898-I998 HydrophobicContact CZ-CG2 3.8Å
899	A	95.9	Very high	90.5	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.025	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-126.3	151.6	172.5	0	0	0	0	0	110.8	W862 K904 S905	W862-A899 WeakPolarHBondContact CB-O 3.32Å; W862-A899 PolarHBondContact N-O 2.94Å; W862-A899 PolarHBondContact O-N 2.8Å; A899-K904 HydrophobicContact CB-CB 4.28Å; A899-K904 HydrophobicContact CB-CD 4.15Å; A899-K904 HydrophobicContact CB-CG 4.27Å; A899-S905 WeakPolarHBondContact CB-OG 3.46Å
900	D	95.1	Very high	91.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.011	12%	0.121	C	C	.	.	S	Bend	trans	-84.8	-19.3	170	51.2	11.7	0	0	0	112.3	Y818 L861 P957 P971 N988 Y990	Y818-D900 WeakPolarHBondContact CE2-O 3.11Å; Y818-D900 PolarHBondContact OH-O 3.36Å; L861-D900 HydrophobicContact CD2-CB 4.08Å; D900-P957 HydrophobicContact CB-CG 3.9Å; D900-P957 VanDerWaalsContact CG-CD 3.44Å; D900-P957 VanDerWaalsContact OD2-CD 3.29Å; D900-P957 WeakPolarHBondContact OD2-CD 3.35Å; D900-P971 HydrophobicContact CB-CG 4.08Å; D900-N988 WeakPolarHBondContact OD2-CB 3.2Å; D900-N988 PolarHBondContact OD2-ND2 3.38Å; D900-Y990 HydrophobicContact CB-CE2 3.8Å; D900-Y990 WeakPolarHBondContact OD2-CE2 3.02Å; D900-Y990 PolarHBondContact OD2-OH 3.41Å
901	M	94.1	Very high	91.8	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.12	C	C	.	.	S	Bend	trans	-94.7	121	176	-62.1	-66.4	-75.1	0	0	112.4	T822 A824 S903 K904 P957 Y987	T822-M901 HydrophobicContact CG2-SD 4.26Å; T822-M901 VanDerWaalsContact O-CE 3.27Å; T822-M901 WeakPolarHBondContact O-CE 3.14Å; A824-M901 HydrophobicContact CB-CE 4.09Å; M901-S903 VanDerWaalsContact C-N 3.34Å; M901-S903 PolarHBondContact O-N 2.82Å; M901-K904 HydrophobicContact CB-CB 4.33Å; M901-K904 PolarHBondContact O-N 3.06Å; M901-P957 HydrophobicContact SD-CG 4.03Å; M901-Y987 HydrophobicContact CE-CE1 4.44Å; M901-Y987 HydrophobicContact CG-CD1 4.04Å
902	V	95.6	Very high	92.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-42.8	-177.2	70.8	0	0	0	0	112.3	V819 T822 L832 W862 K904 S905 A906 I920	V819-V902 HydrophobicContact CG1-CG1 4.36Å; V819-V902 HydrophobicContact CG1-CG2 4.42Å; V819-V902 HydrophobicContact CG2-CG2 4.32Å; V819-V902 VanDerWaalsContact O-CG1 3.3Å; V819-V902 WeakPolarHBondContact O-CG1 3.4Å; T822-V902 PolarHBondContact O-N 3.02Å; T822-V902 PolarHBondContact OG1-N 3.47Å; L832-V902 HydrophobicContact CD1-CG1 3.9Å; L832-V902 HydrophobicContact CD1-CG2 4.14Å; W862-V902 HydrophobicContact CD2-CB 4.06Å; W862-V902 HydrophobicContact CD2-CG2 3.85Å; W862-V902 HydrophobicContact CE3-CG2 4.03Å; W862-V902 HydrophobicContact CG-CB 4.3Å; W862-V902 HydrophobicContact CG-CG2 4.43Å; W862-V902 HydrophobicContact CH2-CG2 4.19Å; W862-V902 HydrophobicContact CZ2-CB 4.14Å; W862-V902 HydrophobicContact CZ2-CG2 4.01Å; W862-V902 HydrophobicContact CZ3-CG2 4.18Å; V902-K904 VanDerWaalsContact C-N 3.26Å; V902-K904 PolarHBondContact O-N 3.19Å; V902-S905 PolarHBondContact O-N 3.41Å; V902-A906 VanDerWaalsContact O-CB 3.28Å; V902-A906 WeakPolarHBondContact O-CB 3.21Å; V902-A906 PolarHBondContact O-N 3.4Å; V902-I920 HydrophobicContact CG2-CD1 3.8Å
903	S	93.6	Very high	92.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-25.6	-172.4	67.9	0	0	0	0	112.3	A824 H827 Y830 M901 A906 N907	A824-S903 WeakPolarHBondContact CB-OG 3.26Å; A824-S903 PolarHBondContact N-OG 3.19Å; H827-S903 PolarHBondContact ND1-OG 2.86Å; Y830-S903 PolarHBondContact OH-O 3.34Å; M901-S903 VanDerWaalsContact C-N 3.34Å; M901-S903 PolarHBondContact O-N 2.82Å; S903-A906 PolarHBondContact O-N 3.19Å; S903-N907 PolarHBondContact O-N 2.77Å; S903-N907 PolarHBondContact O-ND2 3.02Å
904	K	94	Very high	92	Very high	25 Å²	25	34.2 Å²	34.2	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-48.2	173.8	179.3	169.8	-179.7	-179.7	0	111.1	A899 M901 V902 A906 N907 Y908 Y987 N988 E989	A899-K904 HydrophobicContact CB-CB 4.28Å; A899-K904 HydrophobicContact CB-CD 4.15Å; A899-K904 HydrophobicContact CB-CG 4.27Å; M901-K904 HydrophobicContact CB-CB 4.33Å; M901-K904 PolarHBondContact O-N 3.06Å; V902-K904 VanDerWaalsContact C-N 3.26Å; V902-K904 PolarHBondContact O-N 3.19Å; K904-A906 VanDerWaalsContact C-N 3.32Å; K904-N907 PolarHBondContact O-N 2.64Å; K904-Y908 WeakPolarHBondContact O-CD2 3.38Å; K904-Y987 HydrophobicContact CD-CD2 4.35Å; K904-Y987 HydrophobicContact CD-CG 4.4Å; K904-Y987 PolarHBondContact NZ-O 2.79Å; K904-Y987 VanDerWaalsContact NZ-O 3.13Å; K904-N988 PolarHBondContact NZ-O 3.43Å; K904-E989 WeakPolarHBondContact CE-OE1 3.24Å; K904-E989 VanDerWaalsContact NZ-CD 3.3Å; K904-E989 IonicContact NZ-OE1 2.63Å; K904-E989 PolarHBondContact NZ-OE1 2.74Å
905	S	94.7	Very high	91.9	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-35.6	174.4	-70.7	0	0	0	0	111.5	W862 G864 A899 V902 N907 Y908	W862-S905 WeakPolarHBondContact CB-OG 3.45Å; W862-S905 PolarHBondContact O-OG 3.07Å; G864-S905 WeakPolarHBondContact CA-O 3.47Å; A899-S905 WeakPolarHBondContact CB-OG 3.46Å; V902-S905 PolarHBondContact O-N 3.41Å; S905-N907 VanDerWaalsContact C-N 3.27Å; S905-N907 PolarHBondContact O-N 3.08Å; S905-Y908 WeakPolarHBondContact O-CB 3.47Å; S905-Y908 PolarHBondContact O-N 3.12Å; S905-Y908 VanDerWaalsContact O-N 3.07Å
906	A	93.9	Very high	91.9	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-28.9	179.1	0	0	0	0	0	114	L832 V902 S903 K904 Y908 C909 I920 F1008	L832-A906 HydrophobicContact CD1-CB 4.18Å; L832-A906 HydrophobicContact CD2-CB 4.35Å; V902-A906 VanDerWaalsContact O-CB 3.28Å; V902-A906 WeakPolarHBondContact O-CB 3.21Å; V902-A906 PolarHBondContact O-N 3.4Å; S903-A906 PolarHBondContact O-N 3.19Å; K904-A906 VanDerWaalsContact C-N 3.32Å; A906-Y908 PolarHBondContact O-N 3.2Å; A906-C909 VanDerWaalsContact O-CB 3.26Å; A906-C909 WeakPolarHBondContact O-CB 3.45Å; A906-C909 PolarHBondContact O-N 2.9Å; A906-I920 HydrophobicContact CB-CD1 4.41Å; A906-F1008 HydrophobicContact CB-CE1 3.75Å; A906-F1008 HydrophobicContact CB-CZ 3.74Å
907	N	91.9	Very high	91.9	Very high	70 Å²	70	38 Å²	38	37%	0.374	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-61.3	-30.3	175	-76.1	-36	0	0	0	112.7	H827 Y830 S903 K904 S905 C909 H910	H827-N907 PolarHBondContact CE1-ND2 2.96Å; H827-N907 VanDerWaalsContact CE1-ND2 3.34Å; Y830-N907 WeakPolarHBondContact CE1-OD1 3.5Å; Y830-N907 PolarHBondContact OH-OD1 2.99Å; S903-N907 PolarHBondContact O-N 2.77Å; S903-N907 PolarHBondContact O-ND2 3.02Å; K904-N907 PolarHBondContact O-N 2.64Å; S905-N907 VanDerWaalsContact C-N 3.27Å; S905-N907 PolarHBondContact O-N 3.08Å; N907-C909 PolarHBondContact O-N 3.34Å; N907-H910 PolarHBondContact O-N 3.49Å
908	Y	91.1	Very high	91.9	Very high	123 Å²	123	35.9 Å²	35.9	48%	0.482	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-75.8	-4.2	177.2	-64.4	-86	0	0	0	113.4	G864 S865 R866 K904 S905 A906 H910	G864-Y908 VanDerWaalsContact O-CB 3.28Å; G864-Y908 WeakPolarHBondContact O-CB 3.39Å; S865-Y908 CarbonylContact C-O 3.57Å; S865-Y908 VanDerWaalsContact CA-O 3.32Å; S865-Y908 WeakPolarHBondContact CA-O 3.5Å; R866-Y908 PolarHBondContact N-O 2.97Å; K904-Y908 WeakPolarHBondContact O-CD2 3.38Å; S905-Y908 WeakPolarHBondContact O-CB 3.47Å; S905-Y908 PolarHBondContact O-N 3.12Å; S905-Y908 VanDerWaalsContact O-N 3.07Å; A906-Y908 PolarHBondContact O-N 3.2Å; Y908-H910 PolarHBondContact O-CD2 2.65Å; Y908-H910 VanDerWaalsContact O-CD2 3.27Å; Y908-H910 PolarHBondContact O-N 3.05Å
909	C	90.4	Very high	91.9	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.054	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-72.3	-18.6	170.2	-61.3	0	0	0	0	112.6	S865 A906 N907 T911 L919 F1008	S865-C909 WeakPolarHBondContact O-CA 3.35Å; A906-C909 VanDerWaalsContact O-CB 3.26Å; A906-C909 WeakPolarHBondContact O-CB 3.45Å; A906-C909 PolarHBondContact O-N 2.9Å; N907-C909 PolarHBondContact O-N 3.34Å; C909-T911 HydrophobicContact CB-CG2 4.09Å; C909-T911 PolarHBondContact O-N 2.91Å; C909-L919 PolarHBondContact SG-O 3.04Å; C909-F1008 HydrophobicContact CB-CE2 4.34Å; C909-F1008 HydrophobicContact CB-CZ 4Å
910	H	88	Confident	91.9	Very high	80 Å²	80	35.6 Å²	35.6	37%	0.37	19%	0.19	S	C	.	.			trans	49	39.4	-176.4	-65.1	-91.8	0	0	0	114.3	E764 R866 N907 Y908	E764-H910 IonicContact OE1-CE1 2.84Å; E764-H910 IonicContact OE1-NE2 2.59Å; E764-H910 PolarHBondContact OE1-NE2 2.66Å; R866-H910 HydrophobicContact CG-CB 4.14Å; R866-H910 PolarHBondContact NE-CD2 3.43Å; R866-H910 PolarHBondContact NH2-ND1 3.4Å; N907-H910 PolarHBondContact O-N 3.49Å; Y908-H910 PolarHBondContact O-CD2 2.65Å; Y908-H910 VanDerWaalsContact O-CD2 3.27Å; Y908-H910 PolarHBondContact O-N 3.05Å
911	T	90	Very high	92	Very high	21 Å²	21	35.5 Å²	35.5	13%	0.129	19%	0.189	C	C	.	.			trans	-69.9	161.7	175.2	49.9	0	0	0	0	111.4	C909 F1008 Y1010	C909-T911 HydrophobicContact CB-CG2 4.09Å; C909-T911 PolarHBondContact O-N 2.91Å; T911-F1008 HydrophobicContact CG2-CD2 3.66Å; T911-F1008 HydrophobicContact CG2-CE2 3.72Å; T911-F1008 HydrophobicContact CG2-CG 4.27Å; T911-F1008 HydrophobicContact CG2-CZ 4.33Å; T911-F1008 VanDerWaalsContact OG1-CD1 3.28Å; T911-F1008 WeakPolarHBondContact OG1-CD1 3.36Å; T911-F1008 WeakPolarHBondContact OG1-CD2 3.49Å; T911-F1008 WeakPolarHBondContact OG1-CG 3.43Å; T911-Y1010 PolarHBondContact O-OH 3.41Å; T911-Y1010 PolarHBondContact OG1-OH 3.45Å
912	S	88.3	Confident	92.1	Very high	43 Å²	43	35.4 Å²	35.4	30%	0.301	19%	0.189	S	C	.	.			trans	-141.4	173.5	178.6	70.1	0	0	0	0	111	S914 D915 P916 Y1010	S912-S914 PolarHBondContact O-N 3.45Å; S912-S914 PolarHBondContact OG-N 2.99Å; S912-S914 PolarHBondContact OG-OG 2.78Å; S912-D915 PolarHBondContact N-O 3.41Å; S912-D915 CarbonylContact O-C 3.24Å; S912-D915 PolarHBondContact O-N 2.96Å; S912-D915 VanDerWaalsContact O-N 3.15Å; S912-D915 PolarHBondContact OG-N 2.95Å; S912-D915 VanDerWaalsContact OG-N 3.15Å; S912-P916 VanDerWaalsContact O-CA 3.28Å; S912-P916 WeakPolarHBondContact O-CA 3.37Å; S912-P916 VanDerWaalsContact O-N 3.17Å; S912-Y1010 VanDerWaalsContact C-CE2 3.47Å
913	Q	86.4	Confident	92	Very high	136 Å²	136	35.4 Å²	35.4	64%	0.636	19%	0.189	S	C	*	.	S	Bend	trans	-61.7	-30.8	172.2	-66.1	174.8	5.4	0	0	112.4	D915 Y1010	Q913-D915 VanDerWaalsContact C-N 3.35Å; Q913-Y1010 HydrophobicContact CG-CD2 4.07Å; Q913-Y1010 HydrophobicContact CG-CG 4.04Å
914	S	85.5	Confident	92.1	Very high	93 Å²	93	35.9 Å²	35.9	65%	0.65	19%	0.191	S	C	*	.	S	Bend	trans	-77.5	-22.8	177.5	73.7	0	0	0	0	113.3	K685 S912	K685-S914 PolarHBondContact NZ-OG 3.45Å; S912-S914 PolarHBondContact O-N 3.45Å; S912-S914 PolarHBondContact OG-N 2.99Å; S912-S914 PolarHBondContact OG-OG 2.78Å
915	D	87.2	Confident	92.2	Very high	71 Å²	71	34.7 Å²	34.7	38%	0.38	19%	0.186	S	C	.	.	S	Bend	trans	-142.3	80.6	-179.4	-171.3	11.6	0	0	0	109.1	S912 Q913 V917	S912-D915 PolarHBondContact N-O 3.41Å; S912-D915 CarbonylContact O-C 3.24Å; S912-D915 PolarHBondContact O-N 2.96Å; S912-D915 VanDerWaalsContact O-N 3.15Å; S912-D915 PolarHBondContact OG-N 2.95Å; S912-D915 VanDerWaalsContact OG-N 3.15Å; Q913-D915 VanDerWaalsContact C-N 3.35Å; D915-V917 VanDerWaalsContact C-N 3.32Å; D915-V917 PolarHBondContact O-N 2.95Å
916	P	92.1	Very high	92.3	Very high	35 Å²	35	34.4 Å²	34.4	23%	0.227	18%	0.184	C	C	.	.			trans	-86	0.2	-167.3	34.2	-36.7	0	0	0	113.2	S912 R1007 F1008	S912-P916 VanDerWaalsContact O-CA 3.28Å; S912-P916 WeakPolarHBondContact O-CA 3.37Å; S912-P916 VanDerWaalsContact O-N 3.17Å; P916-R1007 HydrophobicContact CB-CG 4.48Å; P916-R1007 CarbonylContact O-C 3.49Å; P916-R1007 WeakPolarHBondContact O-CA 3.41Å; P916-F1008 PolarHBondContact O-N 2.8Å
917	V	92.9	Very high	92.3	Very high	28 Å²	28	34.4 Å²	34.4	17%	0.17	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.7	-176.3	-173.1	0	0	0	0	109.6	M676 D915 K1005 I1006	M676-V917 HydrophobicContact CE-CB 4.23Å; M676-V917 HydrophobicContact CE-CG1 3.65Å; M676-V917 HydrophobicContact SD-CG1 4.36Å; D915-V917 VanDerWaalsContact C-N 3.32Å; D915-V917 PolarHBondContact O-N 2.95Å; V917-K1005 HydrophobicContact CG1-CD 4.41Å; V917-K1005 HydrophobicContact CG1-CG 3.75Å; V917-I1006 WeakPolarHBondContact CA-O 3.38Å
918	G	93.9	Very high	92.4	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	163.4	178.3	0	0	0	0	0	112.3	I1006	G918-I1006 PolarHBondContact N-O 3.31Å; G918-I1006 PolarHBondContact O-N 3.18Å
919	L	95.2	Very high	92.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.4	176.8	-65.6	178	0	0	0	110	L673 M676 I677 Y870 C909 L1003 L1004 K1005	L673-L919 HydrophobicContact CD1-CD1 3.79Å; L673-L919 HydrophobicContact CD1-CD2 3.74Å; L673-L919 HydrophobicContact CD1-CG 4.44Å; M676-L919 HydrophobicContact SD-CD1 4.34Å; M676-L919 HydrophobicContact SD-CD2 4.23Å; M676-L919 HydrophobicContact SD-CG 4.16Å; I677-L919 HydrophobicContact CG2-CD1 3.56Å; Y870-L919 HydrophobicContact CD1-CB 4.35Å; Y870-L919 HydrophobicContact CD1-CD1 4.25Å; Y870-L919 HydrophobicContact CD2-CB 3.77Å; Y870-L919 HydrophobicContact CD2-CD1 3.89Å; Y870-L919 HydrophobicContact CD2-CG 4.47Å; Y870-L919 HydrophobicContact CE1-CB 4.06Å; Y870-L919 HydrophobicContact CE2-CB 3.42Å; Y870-L919 VanDerWaalsContact CE2-CB 3.42Å; Y870-L919 HydrophobicContact CE2-CD1 4.43Å; Y870-L919 WeakPolarHBondContact CE2-O 3.44Å; Y870-L919 HydrophobicContact CG-CB 4.2Å; Y870-L919 HydrophobicContact CG-CD1 3.78Å; Y870-L919 PolarHBondContact OH-O 3.04Å; C909-L919 PolarHBondContact SG-O 3.04Å; L919-L1003 HydrophobicContact CB-CD1 4.12Å; L919-L1003 HydrophobicContact CD2-CD1 4.43Å; L919-L1004 WeakPolarHBondContact CA-O 3.47Å; L919-K1005 HydrophobicContact CD2-CB 3.98Å; L919-K1005 HydrophobicContact CD2-CG 4.2Å
920	I	96.4	Very high	92.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141	176.4	-163.1	173.6	0	0	0	110.8	W862 H863 Y870 V902 A906 L1004 I1006	W862-I920 HydrophobicContact CB-CD1 4.37Å; W862-I920 HydrophobicContact CD2-CD1 4.31Å; W862-I920 HydrophobicContact CE3-CD1 3.76Å; W862-I920 HydrophobicContact CE3-CG1 3.97Å; W862-I920 HydrophobicContact CE3-CG2 4.21Å; W862-I920 HydrophobicContact CZ3-CD1 4.45Å; W862-I920 HydrophobicContact CZ3-CG2 3.99Å; H863-I920 WeakPolarHBondContact O-CG1 3.32Å; Y870-I920 WeakPolarHBondContact OH-CA 2.98Å; Y870-I920 PolarHBondContact OH-N 2.83Å; V902-I920 HydrophobicContact CG2-CD1 3.8Å; A906-I920 HydrophobicContact CB-CD1 4.41Å; I920-L1004 HydrophobicContact CG2-CB 3.71Å; I920-L1004 HydrophobicContact CG2-CD2 4.45Å; I920-L1004 PolarHBondContact N-O 3.38Å; I920-L1004 PolarHBondContact O-N 3.11Å; I920-I1006 HydrophobicContact CG2-CD1 3.38Å; I920-I1006 HydrophobicContact CG2-CG1 4.05Å
921	L	96.3	Very high	93.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	146	179.5	-72.2	162	0	0	0	111.8	W862 H863 Y870 I873 L1000 L1003	W862-L921 WeakPolarHBondContact CA-O 3.41Å; H863-L921 HydrophobicContact CB-CB 4.27Å; H863-L921 PolarHBondContact N-O 3.19Å; H863-L921 PolarHBondContact O-N 2.96Å; Y870-L921 HydrophobicContact CD1-CD1 4.46Å; Y870-L921 HydrophobicContact CE1-CD1 3.63Å; Y870-L921 HydrophobicContact CE1-CD2 3.98Å; Y870-L921 HydrophobicContact CE1-CG 3.53Å; Y870-L921 PolarHBondContact OH-N 3.16Å; I873-L921 HydrophobicContact CG2-CD1 3.73Å; L921-L1000 HydrophobicContact CD1-CD2 4.42Å; L921-L1003 HydrophobicContact CD2-CB 4.05Å; L921-L1003 HydrophobicContact CD2-CD1 3.79Å; L921-L1003 HydrophobicContact CD2-CG 4.48Å; L921-L1003 HydrophobicContact CG-CD1 4.24Å
922	L	95.8	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.5	156.2	-74.8	171.8	0	0	0	109	I815 Y818 L860 L861 W862 K1001 Y1002 L1004	I815-L922 HydrophobicContact CG1-CD1 4.14Å; I815-L922 HydrophobicContact CG2-CD1 4.15Å; Y818-L922 HydrophobicContact CD1-CD2 4.21Å; Y818-L922 HydrophobicContact CE1-CD2 3.85Å; L860-L922 HydrophobicContact CD1-CB 4.21Å; L860-L922 HydrophobicContact CD2-CB 4.36Å; L860-L922 HydrophobicContact CD2-CD1 4.01Å; L860-L922 HydrophobicContact CD2-CD2 4.43Å; L860-L922 HydrophobicContact CG-CB 4.13Å; L860-L922 HydrophobicContact CG-CD2 4.18Å; L861-L922 WeakPolarHBondContact O-CA 3.34Å; W862-L922 HydrophobicContact CD2-CD2 3.34Å; W862-L922 HydrophobicContact CD2-CG 4.14Å; W862-L922 HydrophobicContact CE3-CD1 4.38Å; W862-L922 HydrophobicContact CE3-CD2 3.29Å; W862-L922 HydrophobicContact CE3-CG 3.55Å; W862-L922 HydrophobicContact CG-CD2 4Å; W862-L922 HydrophobicContact CH2-CD1 3.56Å; W862-L922 HydrophobicContact CH2-CD2 3.71Å; W862-L922 HydrophobicContact CH2-CG 3.68Å; W862-L922 HydrophobicContact CZ2-CD1 4.17Å; W862-L922 HydrophobicContact CZ2-CD2 3.76Å; W862-L922 HydrophobicContact CZ2-CG 4.25Å; W862-L922 HydrophobicContact CZ3-CD1 3.7Å; W862-L922 HydrophobicContact CZ3-CD2 3.49Å; W862-L922 VanDerWaalsContact CZ3-CD2 3.49Å; W862-L922 HydrophobicContact CZ3-CG 3.31Å; L922-K1001 PolarHBondContact O-N 2.86Å; L922-Y1002 HydrophobicContact CB-CD2 4.23Å; L922-Y1002 HydrophobicContact CD1-CD2 4.36Å; L922-Y1002 PolarHBondContact N-O 2.96Å; L922-Y1002 PolarHBondContact O-N 3.49Å; L922-L1004 HydrophobicContact CD1-CD1 3.98Å; L922-L1004 HydrophobicContact CG-CD1 4.19Å
923	A	95.5	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.2	175.4	0	0	0	0	0	110.3	L860 L861 F898 V925 I998 N999 L1000	L860-A923 WeakPolarHBondContact CA-O 3.47Å; L861-A923 PolarHBondContact N-O 3.3Å; L861-A923 PolarHBondContact O-N 3.35Å; L861-A923 VanDerWaalsContact O-N 3.08Å; F898-A923 HydrophobicContact CE1-CB 3.7Å; F898-A923 HydrophobicContact CZ-CB 4.25Å; A923-V925 HydrophobicContact CB-CG2 4.11Å; A923-V925 PolarHBondContact O-N 3.34Å; A923-I998 HydrophobicContact CB-CG2 3.89Å; A923-N999 CarbonylContact C-O 3.6Å; A923-N999 WeakPolarHBondContact CA-O 3.26Å; A923-L1000 HydrophobicContact CB-CD2 3.8Å
924	E	95.5	Very high	93.6	Very high	10 Å²	10	30 Å²	30	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.1	162.8	177.1	-175.3	-178.8	0	0	107.4	Y849 R858 V968 N999 K1001	Y849-E924 HydrophobicContact CE1-CG 4.43Å; Y849-E924 WeakPolarHBondContact OH-CG 3.38Å; Y849-E924 PolarHBondContact OH-OE1 2.95Å; Y849-E924 VanDerWaalsContact OH-OE1 3.14Å; R858-E924 IonicContact CZ-OE1 3.95Å; R858-E924 IonicContact NE-OE1 3.95Å; R858-E924 IonicContact NH1-OE1 3.38Å; R858-E924 PolarHBondContact NH1-OE1 3.2Å; E924-V968 VanDerWaalsContact CD-CG2 3.43Å; E924-V968 HydrophobicContact CG-CG1 4.03Å; E924-V968 HydrophobicContact CG-CG2 3.73Å; E924-V968 WeakPolarHBondContact OE1-CG2 3.4Å; E924-N999 HydrophobicContact CB-CB 4.28Å; E924-N999 PolarHBondContact N-O 3.34Å; E924-N999 PolarHBondContact O-N 3.48Å; E924-K1001 HydrophobicContact CB-CG 3.99Å; E924-K1001 WeakPolarHBondContact OE2-CE 3.42Å; E924-K1001 IonicContact OE2-NZ 3.45Å; E924-K1001 PolarHBondContact OE2-NZ 2.96Å
925	V	95.9	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.1	-177.4	-172.9	0	0	0	0	109	R858 Q859 L861 F898 A923 L927 V992	R858-V925 WeakPolarHBondContact CA-O 3.35Å; Q859-V925 PolarHBondContact N-O 3.27Å; Q859-V925 PolarHBondContact O-N 3.16Å; L861-V925 HydrophobicContact CB-CG2 4.46Å; L861-V925 HydrophobicContact CD1-CB 4.28Å; L861-V925 HydrophobicContact CD1-CG2 4.39Å; F898-V925 HydrophobicContact CD1-CG2 3.9Å; F898-V925 HydrophobicContact CD2-CG1 4.36Å; F898-V925 HydrophobicContact CD2-CG2 3.94Å; F898-V925 HydrophobicContact CE1-CG2 3.76Å; F898-V925 HydrophobicContact CE2-CG1 4.29Å; F898-V925 HydrophobicContact CE2-CG2 3.77Å; F898-V925 HydrophobicContact CG-CG2 4Å; F898-V925 HydrophobicContact CZ-CG2 3.68Å; A923-V925 HydrophobicContact CB-CG2 4.11Å; A923-V925 PolarHBondContact O-N 3.34Å; V925-L927 HydrophobicContact CB-CD2 4.46Å; V925-L927 HydrophobicContact CG1-CD2 3.78Å; V925-L927 HydrophobicContact CG1-CG 4.42Å; V925-L927 PolarHBondContact O-N 3.36Å; V925-V992 HydrophobicContact CG1-CG1 3.53Å; V925-V992 HydrophobicContact CG1-CG2 4.39Å
926	A	95.7	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	90.5	176.6	0	0	0	0	0	110.3	Y849 F852 L855 R858 Q997	Y849-A926 HydrophobicContact CE2-CB 3.92Å; F852-A926 HydrophobicContact CB-CB 3.74Å; L855-A926 HydrophobicContact CB-CB 4.46Å; L855-A926 HydrophobicContact CD2-CB 4.1Å; R858-A926 HydrophobicContact CG-CB 4.32Å; A926-Q997 PolarHBondContact N-O 3.24Å; A926-Q997 PolarHBondContact O-NE2 3.17Å
927	L	94.5	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.			trans	-76.2	-34.3	-175.8	-59.7	173	0	0	0	112.3	N857 Q859 L861 V925 M930 S948 Y990 V992	N857-L927 WeakPolarHBondContact O-CB 3.48Å; N857-L927 PolarHBondContact O-N 2.87Å; N857-L927 VanDerWaalsContact O-N 3.14Å; Q859-L927 HydrophobicContact CB-CD1 4.13Å; Q859-L927 HydrophobicContact CG-CD1 3.93Å; L861-L927 HydrophobicContact CD1-CD1 4.31Å; L861-L927 HydrophobicContact CD1-CD2 4.3Å; V925-L927 HydrophobicContact CB-CD2 4.46Å; V925-L927 HydrophobicContact CG1-CD2 3.78Å; V925-L927 HydrophobicContact CG1-CG 4.42Å; V925-L927 PolarHBondContact O-N 3.36Å; L927-M930 HydrophobicContact CB-CG 4.03Å; L927-M930 HydrophobicContact CB-SD 4.29Å; L927-M930 HydrophobicContact CD1-SD 3.9Å; L927-S948 WeakPolarHBondContact O-CB 3.49Å; L927-S948 PolarHBondContact O-OG 2.98Å; L927-Y990 HydrophobicContact CD1-CD1 3.55Å; L927-Y990 HydrophobicContact CD1-CE1 3.91Å; L927-Y990 HydrophobicContact CD1-CG 4.34Å; L927-Y990 HydrophobicContact CD2-CD1 4.07Å; L927-Y990 HydrophobicContact CD2-CG 4.35Å; L927-Y990 HydrophobicContact CG-CD1 4.47Å; L927-V992 HydrophobicContact CD2-CG1 4.34Å
928	G	94.6	Very high	92.5	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	19%	0.189	C	C	.	.			trans	52.5	-141.4	-174	0	0	0	0	0	112.3	H856 N857 M930	H856-G928 WeakPolarHBondContact O-CA 3.4Å; H856-G928 PolarHBondContact O-N 3.33Å; N857-G928 PolarHBondContact ND2-O 3.29Å; N857-G928 VanDerWaalsContact ND2-O 3.16Å; G928-M930 PolarHBondContact O-N 3.5Å; G928-M930 VanDerWaalsContact O-N 3.13Å
929	N	95.1	Very high	92	Very high	70 Å²	70	37.6 Å²	37.6	37%	0.374	19%	0.193	S	C	.	.	S	Bend	trans	-66.4	107.4	170.7	-69.4	-24.9	0	0	0	111.6	H856 G945 K946 H947	H856-N929 PolarHBondContact CE1-OD1 3.29Å; H856-N929 VanDerWaalsContact CE1-OD1 3.26Å; H856-N929 PolarHBondContact NE2-OD1 3.2Å; H856-N929 VanDerWaalsContact NE2-OD1 3.12Å; N929-G945 VanDerWaalsContact CB-O 3.26Å; N929-G945 WeakPolarHBondContact CB-O 3.32Å; N929-G945 PolarHBondContact ND2-O 3.31Å; N929-K946 HydrophobicContact CB-CD 3.97Å; N929-K946 WeakPolarHBondContact O-CA 3.4Å; N929-H947 PolarHBondContact N-ND1 2.89Å; N929-H947 PolarHBondContact O-N 3.06Å
930	M	94.7	Very high	91.1	Very high	33 Å²	33	44.1 Å²	44.1	16%	0.163	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	142.2	178.1	-61.7	179.2	-65.7	0	0	112.1	N857 L927 G928 K946 S948 K950 Y990	N857-M930 WeakPolarHBondContact ND2-CE 3.27Å; N857-M930 PolarHBondContact ND2-SD 3.04Å; L927-M930 HydrophobicContact CB-CG 4.03Å; L927-M930 HydrophobicContact CB-SD 4.29Å; L927-M930 HydrophobicContact CD1-SD 3.9Å; G928-M930 PolarHBondContact O-N 3.5Å; G928-M930 VanDerWaalsContact O-N 3.13Å; M930-K946 WeakPolarHBondContact O-CD 3.26Å; M930-K946 WeakPolarHBondContact O-CE 3.2Å; M930-K946 PolarHBondContact O-NZ 3.36Å; M930-S948 CarbonylContact C-O 3.58Å; M930-S948 WeakPolarHBondContact CG-OG 3.29Å; M930-K950 HydrophobicContact CB-CB 4.22Å; M930-K950 HydrophobicContact CE-CD 4.04Å; M930-K950 HydrophobicContact SD-CB 4.07Å; M930-K950 HydrophobicContact SD-CD 3.84Å; M930-K950 HydrophobicContact SD-CG 4.42Å; M930-Y990 HydrophobicContact SD-CD1 4.13Å; M930-Y990 HydrophobicContact SD-CE1 4Å
931	H	94.5	Very high	90.6	Very high	50 Å²	50	52.6 Å²	52.6	23%	0.231	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.6	165.3	-178.3	29.5	0	0	0	109.5	K946 S948 V949 K950	H931-K946 HydrophobicContact CB-CB 4.22Å; H931-K946 HydrophobicContact CB-CD 4.44Å; H931-K946 HydrophobicContact CB-CG 4.07Å; H931-S948 PolarHBondContact N-O 3.37Å; H931-V949 HydrophobicContact CB-CG2 4.08Å; H931-V949 CarbonylContact O-C 3.59Å; H931-V949 VanDerWaalsContact O-CA 3.31Å; H931-V949 WeakPolarHBondContact O-CA 3.39Å; H931-K950 PolarHBondContact O-N 2.93Å
932	E	93.3	Very high	90.2	Very high	108 Å²	108	54.5 Å²	54.5	51%	0.505	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.5	-174.7	-62.5	-179.9	179.4	0	0	111.8	K950 L952	E932-K950 WeakPolarHBondContact CA-O 3.32Å; E932-K950 HydrophobicContact CG-CB 4.41Å; E932-L952 HydrophobicContact CB-CD1 3.96Å; E932-L952 HydrophobicContact CB-CD2 4.45Å; E932-L952 HydrophobicContact CB-CG 4.21Å; E932-L952 HydrophobicContact CG-CD2 4.37Å
933	L	91.6	Very high	90	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.147	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.8	178.6	-68.9	-178.8	0	0	0	111.3	F892 I939 V949 K950 L952	F892-L933 HydrophobicContact CD1-CB 4.3Å; F892-L933 HydrophobicContact CD1-CD1 3.45Å; F892-L933 VanDerWaalsContact CD1-CD1 3.45Å; F892-L933 HydrophobicContact CE1-CB 3.58Å; F892-L933 HydrophobicContact CE1-CD1 3.56Å; F892-L933 HydrophobicContact CE1-CG 4.25Å; F892-L933 HydrophobicContact CZ-CB 4.26Å; L933-I939 HydrophobicContact CD1-CD1 3.43Å; L933-I939 VanDerWaalsContact CD1-CD1 3.43Å; L933-I939 HydrophobicContact CD1-CG1 4.24Å; L933-I939 HydrophobicContact CG-CD1 4.5Å; L933-V949 HydrophobicContact CD1-CG1 4.07Å; L933-V949 HydrophobicContact CG-CG1 4.44Å; L933-K950 PolarHBondContact N-O 3.32Å; L933-L952 PolarHBondContact O-N 3.21Å
934	K	90.4	Very high	89.7	Confident	98 Å²	98	67.4 Å²	67.4	43%	0.426	34%	0.341	S	S	.	.	S	Bend	trans	-102	-19.2	179.2	-61.4	-177.1	179.9	-176.4	0	113.8	L952 I980 T983 S984	K934-L952 HydrophobicContact CG-CD1 4.12Å; K934-I980 HydrophobicContact CD-CG2 4.22Å; K934-T983 WeakPolarHBondContact O-CA 3.2Å; K934-T983 PolarHBondContact O-OG1 2.8Å; K934-S984 PolarHBondContact O-N 3.47Å; K934-S984 VanDerWaalsContact O-N 3.16Å
935	K	86.4	Confident	89.4	Confident	145 Å²	145	69.4 Å²	69.4	63%	0.63	36%	0.364	S	S	*	.	S	Bend	trans	-132.2	153	-177.5	-64.6	-177	-178.8	-179.9	0	109.2	F892 S937	F892-K935 WeakPolarHBondContact CE1-O 3.33Å; K935-S937 PolarHBondContact O-N 2.85Å
936	A	83.7	Confident	89.3	Confident	61 Å²	61	73.2 Å²	73.2	50%	0.504	38%	0.381	S	S	.	.			trans	-53.6	130	173.8	0	0	0	0	0	110.1	M891	M891-A936 HydrophobicContact CB-CB 4.39Å; M891-A936 CarbonylContact O-C 3.41Å; M891-A936 WeakPolarHBondContact O-CA 3.38Å
937	S	83	Confident	89.2	Confident	56 Å²	56	76.2 Å²	76.2	39%	0.392	39%	0.394	S	S	.	.			trans	-150.1	119.1	-178.8	-173.5	0	0	0	0	108.7	M891 F892 K935 I939	M891-S937 PolarHBondContact O-N 3.43Å; F892-S937 CarbonylContact C-O 3.54Å; F892-S937 VanDerWaalsContact CA-O 3.28Å; F892-S937 WeakPolarHBondContact CA-O 3.44Å; K935-S937 PolarHBondContact O-N 2.85Å; S937-I939 PolarHBondContact O-N 3.22Å
938	H	81.6	Confident	89.3	Confident	108 Å²	108	76.2 Å²	76.2	50%	0.5	39%	0.394	S	S	.	.			trans	-74.2	92.8	-178.5	-60	-56.6	0	0	0	110.6	V887 Y890	V887-H938 HydrophobicContact CG1-CB 3.96Å; Y890-H938 PolarHBondContact O-ND1 2.67Å
939	I	82.3	Confident	89.3	Confident	19 Å²	19	76.1 Å²	76.1	10%	0.097	39%	0.393	C	S	.	.			trans	-83.4	124.5	177	-61.1	169	0	0	0	109.1	L933 S937 K941 V949	L933-I939 HydrophobicContact CD1-CD1 3.43Å; L933-I939 VanDerWaalsContact CD1-CD1 3.43Å; L933-I939 HydrophobicContact CD1-CG1 4.24Å; L933-I939 HydrophobicContact CG-CD1 4.5Å; S937-I939 PolarHBondContact O-N 3.22Å; I939-K941 VanDerWaalsContact CG2-O 3.28Å; I939-K941 WeakPolarHBondContact CG2-O 3.28Å; I939-V949 HydrophobicContact CD1-CG1 4.29Å; I939-V949 HydrophobicContact CD1-CG2 3.45Å; I939-V949 VanDerWaalsContact CD1-CG2 3.45Å
940	T	76.7	Confident	89.3	Confident	137 Å²	137	74.5 Å²	74.5	84%	0.84	38%	0.383	S	S	*	.	S	Bend	trans	-97.4	-27.1	169.4	53.3	0	0	0	0	112.2
941	K	84.8	Confident	89.2	Confident	179 Å²	179	72.9 Å²	72.9	78%	0.778	38%	0.375	S	S	*	.	S	Bend	trans	-144.5	132.3	179.4	-170.4	173.8	-177.3	173	0	110.9	I939	I939-K941 VanDerWaalsContact CG2-O 3.28Å; I939-K941 WeakPolarHBondContact CG2-O 3.28Å
942	L	89.1	Confident	89.1	Confident	40 Å²	40	71.3 Å²	71.3	21%	0.209	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-65.7	145.5	176.7	-71.1	166.1	0	0	0	111.7	V949 Y993	L942-V949 HydrophobicContact CD2-CG2 3.6Å; L942-Y993 HydrophobicContact CD1-CD2 3.79Å; L942-Y993 HydrophobicContact CD1-CG 4.41Å; L942-Y993 HydrophobicContact CD2-CD2 3.8Å; L942-Y993 HydrophobicContact CD2-CE2 3.67Å; L942-Y993 HydrophobicContact CG-CD2 3.85Å; L942-Y993 HydrophobicContact CG-CE2 4.18Å; L942-Y993 HydrophobicContact CG-CG 4.49Å
943	P	90.7	Very high	89	Confident	55 Å²	55	66.2 Å²	66.2	36%	0.357	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-57.3	151.3	168.5	-22.5	33.1	0	0	0	112	G945 K946	P943-G945 PolarHBondContact O-N 2.99Å; P943-K946 HydrophobicContact CB-CG 4.06Å; P943-K946 HydrophobicContact CG-CG 4.43Å; P943-K946 WeakPolarHBondContact O-CB 3.35Å; P943-K946 PolarHBondContact O-N 3.23Å; P943-K946 VanDerWaalsContact O-N 3.1Å
944	K	90.1	Very high	89	Confident	217 Å²	217	70.3 Å²	70.3	94%	0.943	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	130.8	179.4	-71.1	-174	179.6	-178.5	0	110.8	K946	K944-K946 VanDerWaalsContact C-N 3.31Å; K944-K946 PolarHBondContact O-N 3Å
945	G	89.7	Confident	89	Confident	51 Å²	51	67.5 Å²	67.5	53%	0.526	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	4.9	178.6	0	0	0	0	0	115.5	N929 P943	N929-G945 VanDerWaalsContact CB-O 3.26Å; N929-G945 WeakPolarHBondContact CB-O 3.32Å; N929-G945 PolarHBondContact ND2-O 3.31Å; P943-G945 PolarHBondContact O-N 2.99Å
946	K	93.4	Very high	89.3	Confident	81 Å²	81	61.1 Å²	61.1	35%	0.352	32%	0.323	S	S	.	.			trans	-102.4	140.3	172.1	-59.7	-60.4	-167.8	170.2	0	110.3	N929 M930 H931 P943 K944	N929-K946 HydrophobicContact CB-CD 3.97Å; N929-K946 WeakPolarHBondContact O-CA 3.4Å; M930-K946 WeakPolarHBondContact O-CD 3.26Å; M930-K946 WeakPolarHBondContact O-CE 3.2Å; M930-K946 PolarHBondContact O-NZ 3.36Å; H931-K946 HydrophobicContact CB-CB 4.22Å; H931-K946 HydrophobicContact CB-CD 4.44Å; H931-K946 HydrophobicContact CB-CG 4.07Å; P943-K946 HydrophobicContact CB-CG 4.06Å; P943-K946 HydrophobicContact CG-CG 4.43Å; P943-K946 WeakPolarHBondContact O-CB 3.35Å; P943-K946 PolarHBondContact O-N 3.23Å; P943-K946 VanDerWaalsContact O-N 3.1Å; K944-K946 VanDerWaalsContact C-N 3.31Å; K944-K946 PolarHBondContact O-N 3Å
947	H	93.8	Very high	89.7	Confident	62 Å²	62	58.6 Å²	58.6	29%	0.287	30%	0.302	S	S	.	.			trans	-113.7	-18.1	-175.2	-45.1	89.2	0	0	0	112.7	L855 N929 Q997	L855-H947 HydrophobicContact CD2-CB 4.34Å; N929-H947 PolarHBondContact N-ND1 2.89Å; N929-H947 PolarHBondContact O-N 3.06Å; H947-Q997 PolarHBondContact O-NE2 3.27Å; H947-Q997 PolarHBondContact O-OE1 3.48Å
948	S	95.2	Very high	90.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168.9	-179.4	61.1	0	0	0	0	110.8	L927 M930 H931 I991	L927-S948 WeakPolarHBondContact O-CB 3.49Å; L927-S948 PolarHBondContact O-OG 2.98Å; M930-S948 CarbonylContact C-O 3.58Å; M930-S948 WeakPolarHBondContact CG-OG 3.29Å; H931-S948 PolarHBondContact N-O 3.37Å; S948-I991 CarbonylContact C-O 3.51Å; S948-I991 WeakPolarHBondContact CA-O 3.34Å; S948-I991 WeakPolarHBondContact CB-O 3.28Å
949	V	95.4	Very high	90.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.6	173	167	0	0	0	0	109.6	F892 H931 L933 I939 L942 Y990 I991 Y993	F892-V949 HydrophobicContact CB-CG1 4.26Å; F892-V949 HydrophobicContact CD1-CG1 4.15Å; F892-V949 HydrophobicContact CG-CG1 4.1Å; H931-V949 HydrophobicContact CB-CG2 4.08Å; H931-V949 CarbonylContact O-C 3.59Å; H931-V949 VanDerWaalsContact O-CA 3.31Å; H931-V949 WeakPolarHBondContact O-CA 3.39Å; L933-V949 HydrophobicContact CD1-CG1 4.07Å; L933-V949 HydrophobicContact CG-CG1 4.44Å; I939-V949 HydrophobicContact CD1-CG1 4.29Å; I939-V949 HydrophobicContact CD1-CG2 3.45Å; I939-V949 VanDerWaalsContact CD1-CG2 3.45Å; L942-V949 HydrophobicContact CD2-CG2 3.6Å; V949-Y990 WeakPolarHBondContact O-CA 3.45Å; V949-I991 HydrophobicContact CB-CB 4.29Å; V949-I991 HydrophobicContact CB-CD1 4.43Å; V949-I991 HydrophobicContact CG1-CD1 4.09Å; V949-I991 PolarHBondContact N-O 3.48Å; V949-I991 PolarHBondContact O-N 3.06Å; V949-Y993 HydrophobicContact CB-CE2 4.03Å; V949-Y993 HydrophobicContact CG2-CE2 3.62Å
950	K	94.9	Very high	90.6	Very high	36 Å²	36	63.9 Å²	63.9	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.1	172	-175.7	178.6	-176.7	174.2	0	109.5	M930 H931 E932 L933 L952 E989 Y990	M930-K950 HydrophobicContact CB-CB 4.22Å; M930-K950 HydrophobicContact CE-CD 4.04Å; M930-K950 HydrophobicContact SD-CB 4.07Å; M930-K950 HydrophobicContact SD-CD 3.84Å; M930-K950 HydrophobicContact SD-CG 4.42Å; H931-K950 PolarHBondContact O-N 2.93Å; E932-K950 WeakPolarHBondContact CA-O 3.32Å; E932-K950 HydrophobicContact CG-CB 4.41Å; L933-K950 PolarHBondContact N-O 3.32Å; K950-L952 HydrophobicContact CD-CD2 3.96Å; K950-L952 HydrophobicContact CG-CD2 4.19Å; K950-L952 PolarHBondContact O-N 3.22Å; K950-E989 CarbonylContact C-O 3.52Å; K950-E989 WeakPolarHBondContact CA-O 3.48Å; K950-Y990 HydrophobicContact CB-CD1 4.49Å; K950-Y990 HydrophobicContact CD-CD1 4.47Å; K950-Y990 HydrophobicContact CD-CE1 3.78Å; K950-Y990 WeakPolarHBondContact CE-OH 3.44Å; K950-Y990 HydrophobicContact CG-CD1 4.16Å; K950-Y990 HydrophobicContact CG-CE1 3.89Å
951	G	93.9	Very high	91.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	115.7	164.9	0	0	0	0	0	109	G953 N988 E989	G951-G953 PolarHBondContact O-N 2.99Å; G951-N988 VanDerWaalsContact O-CA 3.25Å; G951-N988 WeakPolarHBondContact O-CA 3.32Å; G951-E989 PolarHBondContact N-O 3.47Å; G951-E989 PolarHBondContact O-N 2.93Å; G951-E989 VanDerWaalsContact O-N 3.09Å
952	L	92.1	Very high	91.3	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.089	29%	0.293	C	S	.	.			trans	-80.2	112	-178.4	-65	175.1	0	0	0	110.1	E932 L933 K934 K950 I980 T983	E932-L952 HydrophobicContact CB-CD1 3.96Å; E932-L952 HydrophobicContact CB-CD2 4.45Å; E932-L952 HydrophobicContact CB-CG 4.21Å; E932-L952 HydrophobicContact CG-CD2 4.37Å; L933-L952 PolarHBondContact O-N 3.21Å; K934-L952 HydrophobicContact CG-CD1 4.12Å; K950-L952 HydrophobicContact CD-CD2 3.96Å; K950-L952 HydrophobicContact CG-CD2 4.19Å; K950-L952 PolarHBondContact O-N 3.22Å; L952-I980 HydrophobicContact CB-CD1 4.05Å; L952-I980 HydrophobicContact CD1-CD1 4.11Å; L952-I980 HydrophobicContact CD2-CD1 4.46Å; L952-I980 HydrophobicContact CG-CD1 4.45Å; L952-T983 VanDerWaalsContact O-CB 3.3Å; L952-T983 WeakPolarHBondContact O-CB 3.03Å; L952-T983 PolarHBondContact O-OG1 2.96Å
953	G	91.4	Very high	91.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	161.8	175.7	0	0	0	0	0	113.7	G951 T955 T978 L985 N988	G951-G953 PolarHBondContact O-N 2.99Å; G953-T955 VanDerWaalsContact C-N 3.28Å; G953-T955 PolarHBondContact O-N 2.74Å; G953-T978 WeakPolarHBondContact O-CG2 3.35Å; G953-T978 PolarHBondContact O-OG1 3.47Å; G953-L985 CarbonylContact C-O 3.51Å; G953-L985 VanDerWaalsContact CA-O 3.32Å; G953-L985 WeakPolarHBondContact CA-O 3.46Å; G953-N988 PolarHBondContact N-OD1 2.88Å
954	R	90.2	Very high	91.2	Very high	114 Å²	114	54.9 Å²	54.9	43%	0.43	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-28.8	171.8	-66.7	-175.2	-179.5	-173.5	-6.3	113.2	N977 T978 T983 L985 L986	R954-N977 WeakPolarHBondContact O-CA 3.27Å; R954-N977 PolarHBondContact O-OD1 3.41Å; R954-T978 WeakPolarHBondContact CA-OG1 3.42Å; R954-T978 PolarHBondContact O-N 2.99Å; R954-T978 PolarHBondContact O-OG1 3.12Å; R954-T983 HydrophobicContact CG-CG2 3.5Å; R954-T983 VanDerWaalsContact CG-CG2 3.5Å; R954-L985 PolarHBondContact N-O 3.13Å; R954-L986 PolarHBondContact N-O 2.79Å
955	T	91.4	Very high	91.1	Very high	39 Å²	39	45.4 Å²	45.4	24%	0.239	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.3	177.9	-55.6	0	0	0	0	110	G953 V976 L986 Y987	G953-T955 VanDerWaalsContact C-N 3.28Å; G953-T955 PolarHBondContact O-N 2.74Å; T955-V976 WeakPolarHBondContact CA-O 3.45Å; T955-L986 PolarHBondContact N-O 3.1Å; T955-Y987 HydrophobicContact CG2-CD1 4.25Å; T955-Y987 HydrophobicContact CG2-CE1 3.95Å
956	A	91.3	Very high	90.8	Very high	11 Å²	11	49.2 Å²	49.2	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.7	175.6	0	0	0	0	0	109.9	G975 V976 T978 N988	A956-G975 WeakPolarHBondContact O-CA 3.4Å; A956-V976 PolarHBondContact N-O 2.65Å; A956-V976 WeakPolarHBondContact O-CG2 3.47Å; A956-V976 PolarHBondContact O-N 3.44Å; A956-T978 HydrophobicContact CB-CG2 3.42Å; A956-T978 VanDerWaalsContact CB-CG2 3.42Å; A956-N988 WeakPolarHBondContact CB-ND2 3.43Å
957	P	92.9	Very high	90.2	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.058	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	142.1	169.8	-22.3	33.9	0	0	0	111.4	T822 D900 M901 P959 P971	T822-P957 HydrophobicContact CG2-CG 4.33Å; D900-P957 HydrophobicContact CB-CG 3.9Å; D900-P957 VanDerWaalsContact CG-CD 3.44Å; D900-P957 VanDerWaalsContact OD2-CD 3.29Å; D900-P957 WeakPolarHBondContact OD2-CD 3.35Å; M901-P957 HydrophobicContact SD-CG 4.03Å; P957-P959 WeakPolarHBondContact O-CD 3.33Å; P957-P959 VanDerWaalsContact O-N 3.16Å; P957-P971 HydrophobicContact CB-CB 4.23Å; P957-P971 VanDerWaalsContact CB-O 3.3Å; P957-P971 WeakPolarHBondContact CB-O 3.48Å; P957-P971 HydrophobicContact CG-CB 4.33Å; P957-P971 WeakPolarHBondContact CG-O 3.32Å
958	D	90.9	Very high	90	Very high	50 Å²	50	45.1 Å²	45.1	27%	0.267	27%	0.269	S	S	.	.			trans	-56.9	116.6	175.5	-177.7	-0.7	0	0	0	111	N960 A961 K974 V976	D958-N960 PolarHBondContact O-N 2.86Å; D958-N960 WeakPolarHBondContact OD1-CB 3.16Å; D958-N960 PolarHBondContact OD1-N 3.09Å; D958-N960 PolarHBondContact OD1-ND2 2.91Å; D958-A961 HydrophobicContact CB-CB 4.24Å; D958-A961 PolarHBondContact O-N 3.14Å; D958-K974 PolarHBondContact N-O 3.17Å; D958-V976 HydrophobicContact CB-CG1 4.09Å; D958-V976 HydrophobicContact CB-CG2 4.24Å
959	P	87	Confident	89.9	Confident	95 Å²	95	49.4 Å²	49.4	62%	0.617	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.4	-178.5	26.8	-35	0	0	0	113	P957 A961 S962	P957-P959 WeakPolarHBondContact O-CD 3.33Å; P957-P959 VanDerWaalsContact O-N 3.16Å; P959-A961 VanDerWaalsContact C-N 3.27Å; P959-A961 PolarHBondContact O-N 3.23Å; P959-S962 PolarHBondContact O-OG 2.9Å
960	N	87.5	Confident	89.8	Confident	149 Å²	149	49.4 Å²	49.4	80%	0.797	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-77.8	-15.7	179.2	-60.1	-52.2	0	0	0	112.9	D958	D958-N960 PolarHBondContact O-N 2.86Å; D958-N960 WeakPolarHBondContact OD1-CB 3.16Å; D958-N960 PolarHBondContact OD1-N 3.09Å; D958-N960 PolarHBondContact OD1-ND2 2.91Å
961	A	89.1	Confident	89.7	Confident	44 Å²	44	48.5 Å²	48.5	36%	0.364	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-102.2	17.6	179.8	0	0	0	0	0	112.7	D958 P959 L972	D958-A961 HydrophobicContact CB-CB 4.24Å; D958-A961 PolarHBondContact O-N 3.14Å; P959-A961 VanDerWaalsContact C-N 3.27Å; P959-A961 PolarHBondContact O-N 3.23Å; A961-L972 WeakPolarHBondContact O-CD1 3.3Å
962	S	86.6	Confident	89.6	Confident	53 Å²	53	49.4 Å²	49.4	37%	0.371	29%	0.292	S	S	.	.			trans	-70.6	132.1	176.3	64.8	0	0	0	0	111.4	P959 V970	P959-S962 PolarHBondContact O-OG 2.9Å; S962-V970 WeakPolarHBondContact CA-O 3.31Å
963	A	89.9	Confident	89.6	Confident	27 Å²	27	48.6 Å²	48.6	22%	0.223	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	166	170.3	0	0	0	0	0	110.7	V970 L972	A963-V970 PolarHBondContact N-O 3.12Å; A963-V970 PolarHBondContact O-N 2.56Å; A963-L972 HydrophobicContact CB-CD2 3.54Å; A963-L972 HydrophobicContact CB-CG 4.12Å
964	T	89.5	Confident	89.6	Confident	97 Å²	97	55.6 Å²	55.6	60%	0.595	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.1	171.6	-56.3	0	0	0	0	109.2	V968	T964-V968 CarbonylContact C-O 3.59Å; T964-V968 WeakPolarHBondContact CA-O 3.21Å
965	L	86.6	Confident	89.6	Confident	18 Å²	18	52 Å²	52	9%	0.094	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.2	176.8	-175.2	67.5	0	0	0	108.4	E811 I814 L860 G967 V968 V970 Y1002	E811-L965 HydrophobicContact CB-CD1 4.09Å; I814-L965 HydrophobicContact CD1-CD1 4.02Å; L860-L965 HydrophobicContact CD2-CD2 4.41Å; L965-G967 PolarHBondContact O-N 3.35Å; L965-G967 VanDerWaalsContact O-N 3.16Å; L965-V968 PolarHBondContact N-O 3.49Å; L965-V968 WeakPolarHBondContact O-CB 3.48Å; L965-V968 PolarHBondContact O-N 3.46Å; L965-V970 HydrophobicContact CB-CG2 3.7Å; L965-Y1002 HydrophobicContact CD2-CE2 3.95Å
966	N	82.8	Confident	89.6	Confident	131 Å²	131	53 Å²	53	70%	0.701	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	36.7	-179.4	-59	-38.7	0	0	0	114.3	V968	N966-V968 VanDerWaalsContact C-N 3.32Å
967	G	81.8	Confident	89.4	Confident	50 Å²	50	57 Å²	57	52%	0.515	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	6.2	-178.7	0	0	0	0	0	115.3	L965	L965-G967 PolarHBondContact O-N 3.35Å; L965-G967 VanDerWaalsContact O-N 3.16Å
968	V	90.6	Very high	88.9	Confident	8 Å²	8	58.5 Å²	58.5	5%	0.048	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.5	177.1	-173.5	0	0	0	0	109.9	R858 L860 E924 T964 L965 N966	R858-V968 HydrophobicContact CB-CG1 4.43Å; L860-V968 HydrophobicContact CB-CG1 4.06Å; E924-V968 VanDerWaalsContact CD-CG2 3.43Å; E924-V968 HydrophobicContact CG-CG1 4.03Å; E924-V968 HydrophobicContact CG-CG2 3.73Å; E924-V968 WeakPolarHBondContact OE1-CG2 3.4Å; T964-V968 CarbonylContact C-O 3.59Å; T964-V968 WeakPolarHBondContact CA-O 3.21Å; L965-V968 PolarHBondContact N-O 3.49Å; L965-V968 WeakPolarHBondContact O-CB 3.48Å; L965-V968 PolarHBondContact O-N 3.46Å; N966-V968 VanDerWaalsContact C-N 3.32Å
969	Q	92.3	Very high	88.4	Confident	89 Å²	89	62.5 Å²	62.5	42%	0.416	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.2	176.3	-68	-175.7	-1.4	0	0	111.1	R858 Q859 L860	R858-Q969 PolarHBondContact O-N 2.95Å; Q859-Q969 CarbonylContact C-O 3.52Å; Q859-Q969 WeakPolarHBondContact CA-O 3.39Å; Q859-Q969 HydrophobicContact CG-CB 4.3Å; L860-Q969 PolarHBondContact N-O 3.06Å
970	V	93.9	Very high	88.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.4	177.1	-171.9	0	0	0	0	108.4	I814 Y818 L860 S962 A963 L965 L972	I814-V970 HydrophobicContact CG2-CG1 4.37Å; Y818-V970 HydrophobicContact CD1-CG1 3.52Å; Y818-V970 HydrophobicContact CE1-CG1 3.78Å; Y818-V970 HydrophobicContact CG-CG1 4Å; L860-V970 HydrophobicContact CB-CG2 4.06Å; L860-V970 HydrophobicContact CD2-CG1 4.46Å; L860-V970 HydrophobicContact CD2-CG2 4.03Å; S962-V970 WeakPolarHBondContact CA-O 3.31Å; A963-V970 PolarHBondContact N-O 3.12Å; A963-V970 PolarHBondContact O-N 2.56Å; L965-V970 HydrophobicContact CB-CG2 3.7Å; V970-L972 HydrophobicContact CG1-CB 4.25Å; V970-L972 HydrophobicContact CG1-CD2 4.12Å; V970-L972 PolarHBondContact O-N 3.47Å
971	P	92.6	Very high	87.5	Confident	16 Å²	16	58.4 Å²	58.4	10%	0.104	35%	0.345	C	S	.	.			trans	-79.1	68.3	-177.1	32.3	-33.5	0	0	0	111.1	Y818 L861 D900 P957 G973	Y818-P971 WeakPolarHBondContact CE2-O 3.01Å; Y818-P971 WeakPolarHBondContact OH-CG 3.38Å; L861-P971 HydrophobicContact CD2-CG 4.31Å; D900-P971 HydrophobicContact CB-CG 4.08Å; P957-P971 HydrophobicContact CB-CB 4.23Å; P957-P971 VanDerWaalsContact CB-O 3.3Å; P957-P971 WeakPolarHBondContact CB-O 3.48Å; P957-P971 HydrophobicContact CG-CB 4.33Å; P957-P971 WeakPolarHBondContact CG-O 3.32Å; P971-G973 VanDerWaalsContact C-N 3.33Å; P971-G973 PolarHBondContact O-N 3.36Å
972	L	91.4	Very high	87.2	Confident	19 Å²	19	62.2 Å²	62.2	10%	0.099	36%	0.36	C	S	.	.			trans	-89.1	10.2	-175.8	63.1	77.5	0	0	0	115.3	I814 Q817 Y818 N821 A961 A963 V970	I814-L972 HydrophobicContact CG2-CD2 3.76Å; Q817-L972 HydrophobicContact CG-CD1 4.36Å; Y818-L972 HydrophobicContact CD2-CB 3.66Å; Y818-L972 HydrophobicContact CE2-CB 4.45Å; Y818-L972 HydrophobicContact CG-CB 3.92Å; N821-L972 WeakPolarHBondContact CB-O 3.49Å; N821-L972 PolarHBondContact ND2-O 2.85Å; A961-L972 WeakPolarHBondContact O-CD1 3.3Å; A963-L972 HydrophobicContact CB-CD2 3.54Å; A963-L972 HydrophobicContact CB-CG 4.12Å; V970-L972 HydrophobicContact CG1-CB 4.25Å; V970-L972 HydrophobicContact CG1-CD2 4.12Å; V970-L972 PolarHBondContact O-N 3.47Å
973	G	90.9	Very high	87.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	34%	0.344	C	S	.	.	S	Bend	trans	-61.7	157.6	175.1	0	0	0	0	0	112.4	T822 P971	T822-G973 WeakPolarHBondContact CG2-O 3.1Å; P971-G973 VanDerWaalsContact C-N 3.33Å; P971-G973 PolarHBondContact O-N 3.36Å
974	K	91.6	Very high	87	Confident	147 Å²	147	62.6 Å²	62.6	64%	0.639	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-69.4	151.8	171.7	-67.6	-177.3	-179.1	178	0	109.8	N821 D958 V976	N821-K974 HydrophobicContact CB-CG 4.3Å; D958-K974 PolarHBondContact N-O 3.17Å; K974-V976 PolarHBondContact O-N 2.99Å
975	G	90.2	Very high	86.9	Confident	39 Å²	39	58.4 Å²	58.4	40%	0.402	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	120.6	177.7	0	0	0	0	0	112	A956	A956-G975 WeakPolarHBondContact O-CA 3.4Å
976	V	91.4	Very high	87.1	Confident	59 Å²	59	62.1 Å²	62.1	36%	0.358	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	156.3	173.9	-64.8	0	0	0	0	110.3	T955 A956 D958 K974	T955-V976 WeakPolarHBondContact CA-O 3.45Å; A956-V976 PolarHBondContact N-O 2.65Å; A956-V976 WeakPolarHBondContact O-CG2 3.47Å; A956-V976 PolarHBondContact O-N 3.44Å; D958-V976 HydrophobicContact CB-CG1 4.09Å; D958-V976 HydrophobicContact CB-CG2 4.24Å; K974-V976 PolarHBondContact O-N 2.99Å
977	N	87.4	Confident	87.6	Confident	94 Å²	94	56.5 Å²	56.5	50%	0.503	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.5	175.4	-167.6	-22.2	0	0	0	109.7	R954 N979	R954-N977 WeakPolarHBondContact O-CA 3.27Å; R954-N977 PolarHBondContact O-OD1 3.41Å; N977-N979 VanDerWaalsContact C-N 3.28Å; N977-N979 PolarHBondContact OD1-N 3.19Å
978	T	83.4	Confident	88.1	Confident	42 Å²	42	54.4 Å²	54.4	26%	0.258	30%	0.3	S	S	.	.			trans	-81.3	-5.6	179.7	56.8	0	0	0	0	113.4	G953 R954 A956 I980	G953-T978 WeakPolarHBondContact O-CG2 3.35Å; G953-T978 PolarHBondContact O-OG1 3.47Å; R954-T978 WeakPolarHBondContact CA-OG1 3.42Å; R954-T978 PolarHBondContact O-N 2.99Å; R954-T978 PolarHBondContact O-OG1 3.12Å; A956-T978 HydrophobicContact CB-CG2 3.42Å; A956-T978 VanDerWaalsContact CB-CG2 3.42Å; T978-I980 PolarHBondContact O-N 2.86Å
979	N	80.9	Confident	88.3	Confident	134 Å²	134	54.5 Å²	54.5	72%	0.717	30%	0.3	S	S	*	.			trans	58.3	29	-174.9	-59	-32.7	0	0	0	113.5	N977	N977-N979 VanDerWaalsContact C-N 3.28Å; N977-N979 PolarHBondContact OD1-N 3.19Å
980	I	81	Confident	88.4	Confident	37 Å²	37	50.6 Å²	50.6	19%	0.19	28%	0.281	C	S	.	.			trans	-106.3	93.2	175.9	-56.2	169.1	0	0	0	107.8	K934 L952 T978 T983	K934-I980 HydrophobicContact CD-CG2 4.22Å; L952-I980 HydrophobicContact CB-CD1 4.05Å; L952-I980 HydrophobicContact CD1-CD1 4.11Å; L952-I980 HydrophobicContact CD2-CD1 4.46Å; L952-I980 HydrophobicContact CG-CD1 4.45Å; T978-I980 PolarHBondContact O-N 2.86Å; I980-T983 HydrophobicContact CG2-CG2 4.24Å; I980-T983 WeakPolarHBondContact O-CG2 3.45Å
981	D	74.1	Confident	88.5	Confident	120 Å²	120	50.5 Å²	50.5	64%	0.642	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.5	-175.8	-63.6	-38.9	0	0	0	112.9	T983	D981-T983 PolarHBondContact O-N 2.82Å; D981-T983 VanDerWaalsContact O-N 3.13Å
982	D	82.4	Confident	88.6	Confident	124 Å²	124	49.8 Å²	49.8	66%	0.663	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	18.1	-175.7	-69.2	-30.2	0	0	0	115.1
983	T	86.1	Confident	88.7	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.031	28%	0.28	C	S	.	.			trans	-99.5	142.4	177.3	-173.8	0	0	0	0	112.8	K934 L952 R954 I980 D981 L985	K934-T983 WeakPolarHBondContact O-CA 3.2Å; K934-T983 PolarHBondContact O-OG1 2.8Å; L952-T983 VanDerWaalsContact O-CB 3.3Å; L952-T983 WeakPolarHBondContact O-CB 3.03Å; L952-T983 PolarHBondContact O-OG1 2.96Å; R954-T983 HydrophobicContact CG-CG2 3.5Å; R954-T983 VanDerWaalsContact CG-CG2 3.5Å; I980-T983 HydrophobicContact CG2-CG2 4.24Å; I980-T983 WeakPolarHBondContact O-CG2 3.45Å; D981-T983 PolarHBondContact O-N 2.82Å; D981-T983 VanDerWaalsContact O-N 3.13Å; T983-L985 VanDerWaalsContact C-N 3.28Å; T983-L985 WeakPolarHBondContact CG2-O 3.41Å; T983-L985 PolarHBondContact OG1-N 3Å; T983-L985 VanDerWaalsContact OG1-N 3.14Å
984	S	85.9	Confident	88.7	Confident	84 Å²	84	54.3 Å²	54.3	59%	0.587	30%	0.297	S	S	*	.	S	Bend	trans	-83.1	-4.5	171.3	59.5	0	0	0	0	113.2	K934	K934-S984 PolarHBondContact O-N 3.47Å; K934-S984 VanDerWaalsContact O-N 3.16Å
985	L	87.9	Confident	88.8	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.5	-175.2	-68.1	164.4	0	0	0	111.7	M891 F892 G953 R954 T983	M891-L985 HydrophobicContact CE-CD2 4.48Å; M891-L985 HydrophobicContact SD-CD2 3.54Å; M891-L985 VanDerWaalsContact SD-CD2 3.54Å; F892-L985 HydrophobicContact CE2-CD1 3.94Å; F892-L985 HydrophobicContact CZ-CD1 3.74Å; G953-L985 CarbonylContact C-O 3.51Å; G953-L985 VanDerWaalsContact CA-O 3.32Å; G953-L985 WeakPolarHBondContact CA-O 3.46Å; R954-L985 PolarHBondContact N-O 3.13Å; T983-L985 VanDerWaalsContact C-N 3.28Å; T983-L985 WeakPolarHBondContact CG2-O 3.41Å; T983-L985 PolarHBondContact OG1-N 3Å; T983-L985 VanDerWaalsContact OG1-N 3.14Å
986	L	90.8	Very high	89	Confident	95 Å²	95	47.9 Å²	47.9	50%	0.497	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-36.8	173.3	-68.8	177.6	0	0	0	112.6	R954 T955	R954-L986 PolarHBondContact N-O 2.79Å; T955-L986 PolarHBondContact N-O 3.1Å
987	Y	92.5	Very high	89.1	Confident	14 Å²	14	45.5 Å²	45.5	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.4	-175.3	-58	-69.1	0	0	0	110.4	A824 T826 M901 K904 T955	A824-Y987 HydrophobicContact CB-CE1 3.77Å; A824-Y987 HydrophobicContact CB-CE2 3.95Å; A824-Y987 VanDerWaalsContact CB-CZ 3.45Å; A824-Y987 WeakPolarHBondContact CB-OH 3.41Å; T826-Y987 WeakPolarHBondContact CG2-OH 3.46Å; T826-Y987 PolarHBondContact OG1-OH 2.78Å; M901-Y987 HydrophobicContact CE-CE1 4.44Å; M901-Y987 HydrophobicContact CG-CD1 4.04Å; K904-Y987 HydrophobicContact CD-CD2 4.35Å; K904-Y987 HydrophobicContact CD-CG 4.4Å; K904-Y987 PolarHBondContact NZ-O 2.79Å; K904-Y987 VanDerWaalsContact NZ-O 3.13Å; T955-Y987 HydrophobicContact CG2-CD1 4.25Å; T955-Y987 HydrophobicContact CG2-CE1 3.95Å
988	N	93.6	Very high	89.5	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.027	23%	0.225	C	C	.	.			trans	-62.1	157.6	178.5	-67.3	-27	0	0	0	112.8	D900 K904 G951 G953 A956 Y990	D900-N988 WeakPolarHBondContact OD2-CB 3.2Å; D900-N988 PolarHBondContact OD2-ND2 3.38Å; K904-N988 PolarHBondContact NZ-O 3.43Å; G951-N988 VanDerWaalsContact O-CA 3.25Å; G951-N988 WeakPolarHBondContact O-CA 3.32Å; G953-N988 PolarHBondContact N-OD1 2.88Å; A956-N988 WeakPolarHBondContact CB-ND2 3.43Å; N988-Y990 HydrophobicContact CB-CE2 4.02Å
989	E	93.8	Very high	90	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.2	167.6	-63.3	-175	168.7	0	0	109.3	F898 K904 K950 G951 I991	F898-E989 WeakPolarHBondContact O-CA 3.33Å; K904-E989 WeakPolarHBondContact CE-OE1 3.24Å; K904-E989 VanDerWaalsContact NZ-CD 3.3Å; K904-E989 IonicContact NZ-OE1 2.63Å; K904-E989 PolarHBondContact NZ-OE1 2.74Å; K950-E989 CarbonylContact C-O 3.52Å; K950-E989 WeakPolarHBondContact CA-O 3.48Å; G951-E989 PolarHBondContact N-O 3.47Å; G951-E989 PolarHBondContact O-N 2.93Å; G951-E989 VanDerWaalsContact O-N 3.09Å; E989-I991 HydrophobicContact CB-CD1 3.92Å
990	Y	95.5	Very high	90.7	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.3	175	-56.9	-91.9	0	0	0	108	L861 F898 D900 L927 M930 V949 K950 N988	L861-Y990 HydrophobicContact CD1-CD1 4.3Å; L861-Y990 HydrophobicContact CD1-CD2 3.67Å; L861-Y990 HydrophobicContact CD1-CE2 4.42Å; L861-Y990 HydrophobicContact CD1-CG 3.61Å; L861-Y990 HydrophobicContact CD2-CD2 3.96Å; L861-Y990 HydrophobicContact CD2-CE2 3.97Å; L861-Y990 HydrophobicContact CG-CD2 4.46Å; F898-Y990 PolarHBondContact N-O 2.77Å; F898-Y990 PolarHBondContact O-N 2.75Å; D900-Y990 HydrophobicContact CB-CE2 3.8Å; D900-Y990 WeakPolarHBondContact OD2-CE2 3.02Å; D900-Y990 PolarHBondContact OD2-OH 3.41Å; L927-Y990 HydrophobicContact CD1-CD1 3.55Å; L927-Y990 HydrophobicContact CD1-CE1 3.91Å; L927-Y990 HydrophobicContact CD1-CG 4.34Å; L927-Y990 HydrophobicContact CD2-CD1 4.07Å; L927-Y990 HydrophobicContact CD2-CG 4.35Å; L927-Y990 HydrophobicContact CG-CD1 4.47Å; M930-Y990 HydrophobicContact SD-CD1 4.13Å; M930-Y990 HydrophobicContact SD-CE1 4Å; V949-Y990 WeakPolarHBondContact O-CA 3.45Å; K950-Y990 HydrophobicContact CB-CD1 4.49Å; K950-Y990 HydrophobicContact CD-CD1 4.47Å; K950-Y990 HydrophobicContact CD-CE1 3.78Å; K950-Y990 WeakPolarHBondContact CE-OH 3.44Å; K950-Y990 HydrophobicContact CG-CD1 4.16Å; K950-Y990 HydrophobicContact CG-CE1 3.89Å; N988-Y990 HydrophobicContact CB-CE2 4.02Å
991	I	95.2	Very high	91.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.4	-175.4	-54.5	90.4	0	0	0	108.5	F892 V896 Y897 S948 V949 E989 Y993	F892-I991 HydrophobicContact CB-CD1 4.04Å; F892-I991 HydrophobicContact CB-CG1 4.27Å; F892-I991 HydrophobicContact CD2-CD1 3.43Å; F892-I991 VanDerWaalsContact CD2-CD1 3.43Å; F892-I991 HydrophobicContact CD2-CG1 4.33Å; F892-I991 HydrophobicContact CE2-CD1 4.19Å; F892-I991 HydrophobicContact CG-CD1 3.99Å; V896-I991 WeakPolarHBondContact O-CA 3.49Å; Y897-I991 HydrophobicContact CD1-CD1 4.25Å; Y897-I991 HydrophobicContact CD1-CG1 3.53Å; Y897-I991 HydrophobicContact CE1-CD1 4.03Å; Y897-I991 HydrophobicContact CE1-CG1 3.42Å; Y897-I991 VanDerWaalsContact CE1-CG1 3.42Å; Y897-I991 HydrophobicContact CE2-CG1 4.45Å; Y897-I991 HydrophobicContact CE2-CG2 4.36Å; Y897-I991 HydrophobicContact CG-CG1 4.1Å; S948-I991 CarbonylContact C-O 3.51Å; S948-I991 WeakPolarHBondContact CA-O 3.34Å; S948-I991 WeakPolarHBondContact CB-O 3.28Å; V949-I991 HydrophobicContact CB-CB 4.29Å; V949-I991 HydrophobicContact CB-CD1 4.43Å; V949-I991 HydrophobicContact CG1-CD1 4.09Å; V949-I991 PolarHBondContact N-O 3.48Å; V949-I991 PolarHBondContact O-N 3.06Å; E989-I991 HydrophobicContact CB-CD1 3.92Å; I991-Y993 HydrophobicContact CB-CE2 4.37Å; I991-Y993 HydrophobicContact CG2-CD2 4.46Å; I991-Y993 HydrophobicContact CG2-CE1 4.22Å; I991-Y993 HydrophobicContact CG2-CE2 3.9Å
992	V	94.7	Very high	92.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.6	171	-65.7	0	0	0	0	109.7	G895 V896 F898 V925 L927 Q997 I998	G895-V992 CarbonylContact C-O 3.57Å; G895-V992 WeakPolarHBondContact CA-O 3.47Å; V896-V992 HydrophobicContact CB-CG2 4.03Å; V896-V992 PolarHBondContact N-O 3.17Å; V896-V992 PolarHBondContact O-N 3.1Å; F898-V992 HydrophobicContact CD2-CG2 4.48Å; F898-V992 HydrophobicContact CE2-CG2 3.92Å; V925-V992 HydrophobicContact CG1-CG1 3.53Å; V925-V992 HydrophobicContact CG1-CG2 4.39Å; L927-V992 HydrophobicContact CD2-CG1 4.34Å; V992-Q997 HydrophobicContact CB-CB 4.39Å; V992-Q997 HydrophobicContact CG1-CB 4.33Å; V992-I998 HydrophobicContact CG2-CD1 3.67Å; V992-I998 HydrophobicContact CG2-CG1 3.71Å
993	Y	92.7	Very high	93	Very high	48 Å²	48	23.2 Å²	23.2	19%	0.188	13%	0.125	C	C	.	.	S	Bend	trans	-108.7	5.2	-176	-59.9	-95	0	0	0	112	I880 F892 K894 L942 V949 I991	I880-Y993 VanDerWaalsContact CD1-C 3.45Å; I880-Y993 WeakPolarHBondContact CD1-O 3.42Å; F892-Y993 PolarHBondContact O-OH 3.3Å; K894-Y993 WeakPolarHBondContact O-CD1 3.37Å; L942-Y993 HydrophobicContact CD1-CD2 3.79Å; L942-Y993 HydrophobicContact CD1-CG 4.41Å; L942-Y993 HydrophobicContact CD2-CD2 3.8Å; L942-Y993 HydrophobicContact CD2-CE2 3.67Å; L942-Y993 HydrophobicContact CG-CD2 3.85Å; L942-Y993 HydrophobicContact CG-CE2 4.18Å; L942-Y993 HydrophobicContact CG-CG 4.49Å; V949-Y993 HydrophobicContact CB-CE2 4.03Å; V949-Y993 HydrophobicContact CG2-CE2 3.62Å; I991-Y993 HydrophobicContact CB-CE2 4.37Å; I991-Y993 HydrophobicContact CG2-CD2 4.46Å; I991-Y993 HydrophobicContact CG2-CE1 4.22Å; I991-Y993 HydrophobicContact CG2-CE2 3.9Å
994	D	92.4	Very high	93.5	Very high	67 Å²	67	23 Å²	23	36%	0.358	12%	0.123	S	C	.	.			trans	-127.9	126	170.7	-173.5	-7	0	0	0	109.6	A996 Q997	D994-A996 PolarHBondContact O-N 2.97Å; D994-A996 WeakPolarHBondContact OD1-CB 3.36Å; D994-A996 PolarHBondContact OD1-N 2.96Å; D994-Q997 HydrophobicContact CB-CG 4.17Å; D994-Q997 WeakPolarHBondContact O-CB 3.44Å; D994-Q997 PolarHBondContact O-N 3.43Å
995	V	92.5	Very high	93.9	Very high	41 Å²	41	19.9 Å²	19.9	25%	0.248	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-66.7	-18.8	178	-63.4	0	0	0	0	112.6	L878 I880 Q997	L878-V995 WeakPolarHBondContact O-CG1 3.35Å; I880-V995 HydrophobicContact CD1-CG1 4.15Å; I880-V995 HydrophobicContact CG1-CG1 3.94Å; V995-Q997 VanDerWaalsContact C-N 3.29Å
996	A	93.8	Very high	94.2	Very high	11 Å²	11	19.6 Å²	19.6	9%	0.091	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-74.3	-18.1	177.1	0	0	0	0	0	113.2	R848 Y849 F852 D994 I998	R848-A996 HydrophobicContact CG-CB 3.57Å; Y849-A996 WeakPolarHBondContact CD2-O 3.2Å; F852-A996 HydrophobicContact CD2-CB 4.25Å; F852-A996 VanDerWaalsContact CD2-O 3.3Å; F852-A996 WeakPolarHBondContact CD2-O 3.45Å; F852-A996 HydrophobicContact CE2-CB 3.48Å; F852-A996 VanDerWaalsContact CE2-CB 3.48Å; F852-A996 HydrophobicContact CZ-CB 4.24Å; D994-A996 PolarHBondContact O-N 2.97Å; D994-A996 WeakPolarHBondContact OD1-CB 3.36Å; D994-A996 PolarHBondContact OD1-N 2.96Å; A996-I998 PolarHBondContact O-N 3.43Å
997	Q	94.4	Very high	94.4	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.037	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-75.6	1.5	175.6	-67.5	178.1	-92.9	0	0	113.8	Y849 F852 A926 H947 V992 D994 V995	Y849-Q997 WeakPolarHBondContact CE2-O 3.37Å; F852-Q997 HydrophobicContact CD1-CG 3.8Å; F852-Q997 HydrophobicContact CE1-CG 3.61Å; F852-Q997 HydrophobicContact CE2-CG 4.38Å; F852-Q997 HydrophobicContact CG-CG 4.24Å; F852-Q997 HydrophobicContact CZ-CG 3.91Å; A926-Q997 PolarHBondContact N-O 3.24Å; A926-Q997 PolarHBondContact O-NE2 3.17Å; H947-Q997 PolarHBondContact O-NE2 3.27Å; H947-Q997 PolarHBondContact O-OE1 3.48Å; V992-Q997 HydrophobicContact CB-CB 4.39Å; V992-Q997 HydrophobicContact CG1-CB 4.33Å; D994-Q997 HydrophobicContact CB-CG 4.17Å; D994-Q997 WeakPolarHBondContact O-CB 3.44Å; D994-Q997 PolarHBondContact O-N 3.43Å; V995-Q997 VanDerWaalsContact C-N 3.29Å
998	I	95.3	Very high	94.5	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.8	-171.2	-53.6	166	0	0	0	109.4	L878 V896 F898 A923 V992 A996 L1000	L878-I998 HydrophobicContact CB-CD1 4.31Å; L878-I998 HydrophobicContact CD1-CG2 4.21Å; V896-I998 HydrophobicContact CB-CD1 3.7Å; V896-I998 HydrophobicContact CG1-CD1 3.82Å; V896-I998 HydrophobicContact CG2-CD1 3.67Å; F898-I998 HydrophobicContact CE2-CD1 3.89Å; F898-I998 HydrophobicContact CE2-CG1 4.04Å; F898-I998 HydrophobicContact CZ-CD1 3.89Å; F898-I998 HydrophobicContact CZ-CG1 4Å; F898-I998 HydrophobicContact CZ-CG2 3.8Å; A923-I998 HydrophobicContact CB-CG2 3.89Å; V992-I998 HydrophobicContact CG2-CD1 3.67Å; V992-I998 HydrophobicContact CG2-CG1 3.71Å; A996-I998 PolarHBondContact O-N 3.43Å; I998-L1000 HydrophobicContact CG2-CD2 4.14Å
999	N	94.8	Very high	94.5	Very high	11 Å²	11	22 Å²	22	6%	0.059	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	113	173.6	-171.9	8	0	0	0	109.5	Y849 A923 E924 K1001	Y849-N999 HydrophobicContact CD1-CB 4.04Å; Y849-N999 HydrophobicContact CD2-CB 3.77Å; Y849-N999 HydrophobicContact CE1-CB 4.34Å; Y849-N999 HydrophobicContact CE2-CB 4.09Å; Y849-N999 HydrophobicContact CG-CB 3.75Å; A923-N999 CarbonylContact C-O 3.6Å; A923-N999 WeakPolarHBondContact CA-O 3.26Å; E924-N999 HydrophobicContact CB-CB 4.28Å; E924-N999 PolarHBondContact N-O 3.34Å; E924-N999 PolarHBondContact O-N 3.48Å; N999-K1001 PolarHBondContact ND2-NZ 3.3Å; N999-K1001 PolarHBondContact O-N 3.06Å
1000	L	95	Very high	94.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.6	-179.5	-56.5	-172.5	0	0	0	109.3	E845 I873 L878 L921 A923 I998	E845-L1000 WeakPolarHBondContact OE2-CB 3.38Å; E845-L1000 PolarHBondContact OE2-N 2.54Å; I873-L1000 HydrophobicContact CG2-CD1 4.21Å; L878-L1000 HydrophobicContact CD1-CD2 3.95Å; L878-L1000 HydrophobicContact CG-CD2 4.29Å; L921-L1000 HydrophobicContact CD1-CD2 4.42Å; A923-L1000 HydrophobicContact CB-CD2 3.8Å; I998-L1000 HydrophobicContact CG2-CD2 4.14Å
1001	K	94.2	Very high	93.6	Very high	62 Å²	62	29.9 Å²	29.9	27%	0.27	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-48.8	-177.5	-66	-62.4	-169.9	-176.9	0	113	V840 L860 L922 E924 N999	V840-K1001 PolarHBondContact N-O 3.06Å; L860-K1001 HydrophobicContact CD1-CB 4.26Å; L860-K1001 HydrophobicContact CD1-CG 4.25Å; L922-K1001 PolarHBondContact O-N 2.86Å; E924-K1001 HydrophobicContact CB-CG 3.99Å; E924-K1001 WeakPolarHBondContact OE2-CE 3.42Å; E924-K1001 IonicContact OE2-NZ 3.45Å; E924-K1001 PolarHBondContact OE2-NZ 2.96Å; N999-K1001 PolarHBondContact ND2-NZ 3.3Å; N999-K1001 PolarHBondContact O-N 3.06Å
1002	Y	95.4	Very high	91.7	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.5	-175.8	-48.7	-83.7	0	0	0	111.2	I805 E811 I815 F838 K839 L860 L922 L965	I805-Y1002 HydrophobicContact CD1-CD1 3.48Å; I805-Y1002 VanDerWaalsContact CD1-CD1 3.48Å; I805-Y1002 HydrophobicContact CD1-CE1 3.4Å; E811-Y1002 PolarHBondContact OE2-OH 3.14Å; I815-Y1002 HydrophobicContact CD1-CD1 3.76Å; I815-Y1002 HydrophobicContact CD1-CD2 3.98Å; I815-Y1002 HydrophobicContact CD1-CE1 3.95Å; I815-Y1002 HydrophobicContact CD1-CE2 4.17Å; I815-Y1002 HydrophobicContact CD1-CG 3.77Å; F838-Y1002 CarbonylContact O-C 3.51Å; F838-Y1002 WeakPolarHBondContact O-CA 3.41Å; K839-Y1002 HydrophobicContact CG-CE1 4.42Å; L860-Y1002 HydrophobicContact CD1-CD2 4.46Å; L860-Y1002 HydrophobicContact CD2-CD2 4.31Å; L860-Y1002 HydrophobicContact CD2-CE2 4.27Å; L922-Y1002 HydrophobicContact CB-CD2 4.23Å; L922-Y1002 HydrophobicContact CD1-CD2 4.36Å; L922-Y1002 PolarHBondContact N-O 2.96Å; L922-Y1002 PolarHBondContact O-N 3.49Å; L965-Y1002 HydrophobicContact CD2-CE2 3.95Å
1003	L	96.4	Very high	89.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.7	171.1	172.3	61.4	0	0	0	107.4	L673 F838 V840 Y870 L874 L919 L921	L673-L1003 HydrophobicContact CD1-CD2 4.01Å; L673-L1003 HydrophobicContact CD2-CD2 3.79Å; F838-L1003 HydrophobicContact CB-CB 4.23Å; F838-L1003 WeakPolarHBondContact CB-O 3.23Å; F838-L1003 HydrophobicContact CD2-CG 4.46Å; F838-L1003 WeakPolarHBondContact CD2-O 3.06Å; F838-L1003 PolarHBondContact N-O 2.88Å; F838-L1003 PolarHBondContact O-N 3.45Å; V840-L1003 HydrophobicContact CG2-CB 3.57Å; V840-L1003 HydrophobicContact CG2-CD2 4.48Å; Y870-L1003 HydrophobicContact CD1-CD1 3.85Å; Y870-L1003 HydrophobicContact CE1-CD1 3.36Å; L874-L1003 HydrophobicContact CD1-CD2 4.34Å; L874-L1003 HydrophobicContact CD2-CD2 4.49Å; L919-L1003 HydrophobicContact CB-CD1 4.12Å; L919-L1003 HydrophobicContact CD2-CD1 4.43Å; L921-L1003 HydrophobicContact CD2-CB 4.05Å; L921-L1003 HydrophobicContact CD2-CD1 3.79Å; L921-L1003 HydrophobicContact CD2-CG 4.48Å; L921-L1003 HydrophobicContact CG-CD1 4.24Å
1004	L	95.9	Very high	86.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.1	-179.6	-70	72.1	0	0	0	109.3	I815 V819 V834 I837 W862 L919 I920 L922 I1006	I815-L1004 HydrophobicContact CG2-CD1 4.2Å; I815-L1004 HydrophobicContact CG2-CD2 3.58Å; I815-L1004 HydrophobicContact CG2-CG 4.13Å; V819-L1004 HydrophobicContact CG2-CD2 3.75Å; V834-L1004 HydrophobicContact CG1-CD2 4.45Å; I837-L1004 HydrophobicContact CG1-CG 4.5Å; W862-L1004 HydrophobicContact CH2-CD1 4.43Å; W862-L1004 HydrophobicContact CH2-CD2 3.73Å; W862-L1004 HydrophobicContact CZ3-CD1 3.96Å; W862-L1004 HydrophobicContact CZ3-CD2 3.76Å; W862-L1004 HydrophobicContact CZ3-CG 4.45Å; L919-L1004 WeakPolarHBondContact CA-O 3.47Å; I920-L1004 HydrophobicContact CG2-CB 3.71Å; I920-L1004 HydrophobicContact CG2-CD2 4.45Å; I920-L1004 PolarHBondContact N-O 3.38Å; I920-L1004 PolarHBondContact O-N 3.11Å; L922-L1004 HydrophobicContact CD1-CD1 3.98Å; L922-L1004 HydrophobicContact CG-CD1 4.19Å; L1004-I1006 HydrophobicContact CB-CD1 4.22Å; L1004-I1006 HydrophobicContact CB-CG1 4.01Å; L1004-I1006 HydrophobicContact CD2-CD1 4.21Å
1005	K	95.5	Very high	83.9	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.9	168	-177.8	175.1	160.8	-153	0	108.4	M676 Q835 D836 F838 V917 L919	M676-K1005 HydrophobicContact CE-CD 4.32Å; Q835-K1005 HydrophobicContact CB-CG 4.44Å; Q835-K1005 WeakPolarHBondContact CB-O 3.5Å; Q835-K1005 PolarHBondContact N-O 3.36Å; Q835-K1005 VanDerWaalsContact OE1-CE 3.28Å; D836-K1005 HydrophobicContact CB-CB 4.17Å; D836-K1005 PolarHBondContact N-O 3.48Å; D836-K1005 PolarHBondContact O-N 3.04Å; D836-K1005 WeakPolarHBondContact OD2-CD 3.36Å; D836-K1005 IonicContact OD2-NZ 2.76Å; D836-K1005 PolarHBondContact OD2-NZ 2.99Å; D836-K1005 VanDerWaalsContact OD2-NZ 3.1Å; F838-K1005 HydrophobicContact CE2-CB 4.11Å; V917-K1005 HydrophobicContact CG1-CD 4.41Å; V917-K1005 HydrophobicContact CG1-CG 3.75Å; L919-K1005 HydrophobicContact CD2-CB 3.98Å; L919-K1005 HydrophobicContact CD2-CG 4.2Å
1006	I	94.8	Very high	83.5	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.1	-171.6	-56.8	-173	0	0	0	109.5	L832 E833 V917 G918 I920 L1004 F1008	L832-I1006 HydrophobicContact CB-CG2 3.84Å; L832-I1006 HydrophobicContact CD2-CG2 3.79Å; L832-I1006 HydrophobicContact CG-CG2 4.33Å; E833-I1006 CarbonylContact O-C 3.55Å; E833-I1006 WeakPolarHBondContact O-CA 3.48Å; E833-I1006 WeakPolarHBondContact O-CG2 3.31Å; V917-I1006 WeakPolarHBondContact CA-O 3.38Å; G918-I1006 PolarHBondContact N-O 3.31Å; G918-I1006 PolarHBondContact O-N 3.18Å; I920-I1006 HydrophobicContact CG2-CD1 3.38Å; I920-I1006 HydrophobicContact CG2-CG1 4.05Å; L1004-I1006 HydrophobicContact CB-CD1 4.22Å; L1004-I1006 HydrophobicContact CB-CG1 4.01Å; L1004-I1006 HydrophobicContact CD2-CD1 4.21Å; I1006-F1008 HydrophobicContact CB-CE2 4.44Å; I1006-F1008 HydrophobicContact CG2-CE2 4.41Å
1007	R	94.7	Very high	82.9	Confident	107 Å²	107	56.7 Å²	56.7	40%	0.404	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.2	169.3	-170.6	-178.1	-170	170.5	3.3	109.8	E833 Q835 P916	E833-R1007 HydrophobicContact CB-CB 4.35Å; E833-R1007 PolarHBondContact N-O 2.82Å; E833-R1007 PolarHBondContact O-N 3.5Å; Q835-R1007 HydrophobicContact CG-CB 4.18Å; P916-R1007 HydrophobicContact CB-CG 4.48Å; P916-R1007 CarbonylContact O-C 3.49Å; P916-R1007 WeakPolarHBondContact O-CA 3.41Å
1008	F	94.4	Very high	82.3	Confident	5 Å²	5	59.4 Å²	59.4	2%	0.022	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	108.6	175.2	-69.4	-111.5	0	0	0	108.5	Y830 L832 A906 C909 T911 P916 I1006 Y1010	Y830-F1008 AromaticContact CD2-CD1 3.61Å; Y830-F1008 HydrophobicContact CD2-CD1 3.61Å; Y830-F1008 HydrophobicContact CD2-CE1 4.11Å; Y830-F1008 AromaticContact CE2-CD1 3.88Å; Y830-F1008 HydrophobicContact CE2-CD1 3.88Å; Y830-F1008 AromaticContact CE2-CE1 3.87Å; Y830-F1008 HydrophobicContact CE2-CE1 3.87Å; Y830-F1008 HydrophobicContact CG-CD1 4Å; L832-F1008 HydrophobicContact CD2-CD1 3.52Å; L832-F1008 HydrophobicContact CD2-CD2 4.27Å; L832-F1008 HydrophobicContact CD2-CE1 3.46Å; L832-F1008 VanDerWaalsContact CD2-CE1 3.46Å; L832-F1008 HydrophobicContact CD2-CE2 4.19Å; L832-F1008 HydrophobicContact CD2-CG 3.97Å; L832-F1008 HydrophobicContact CD2-CZ 3.81Å; A906-F1008 HydrophobicContact CB-CE1 3.75Å; A906-F1008 HydrophobicContact CB-CZ 3.74Å; C909-F1008 HydrophobicContact CB-CE2 4.34Å; C909-F1008 HydrophobicContact CB-CZ 4Å; T911-F1008 HydrophobicContact CG2-CD2 3.66Å; T911-F1008 HydrophobicContact CG2-CE2 3.72Å; T911-F1008 HydrophobicContact CG2-CG 4.27Å; T911-F1008 HydrophobicContact CG2-CZ 4.33Å; T911-F1008 VanDerWaalsContact OG1-CD1 3.28Å; T911-F1008 WeakPolarHBondContact OG1-CD1 3.36Å; T911-F1008 WeakPolarHBondContact OG1-CD2 3.49Å; T911-F1008 WeakPolarHBondContact OG1-CG 3.43Å; P916-F1008 PolarHBondContact O-N 2.8Å; I1006-F1008 HydrophobicContact CB-CE2 4.44Å; I1006-F1008 HydrophobicContact CG2-CE2 4.41Å; F1008-Y1010 HydrophobicContact CB-CD2 4.28Å; F1008-Y1010 HydrophobicContact CB-CE2 3.65Å; F1008-Y1010 PolarHBondContact O-N 2.88Å
1009	N	92.9	Very high	81.5	Confident	52 Å²	52	62.6 Å²	62.6	28%	0.278	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	88.9	176.3	-67.2	-35.2	0	0	0	107.5	Y830 T831 E833 Q1011	Y830-N1009 WeakPolarHBondContact CA-O 3.22Å; T831-N1009 PolarHBondContact N-O 3.1Å; T831-N1009 PolarHBondContact O-N 3.09Å; T831-N1009 WeakPolarHBondContact OG1-CB 3.36Å; E833-N1009 PolarHBondContact OE2-ND2 3.35Å; N1009-Q1011 PolarHBondContact O-N 3.08Å
1010	Y	89.7	Confident	80.7	Confident	59 Å²	59	65.9 Å²	65.9	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	123.7	174.6	-68.8	-82.1	0	0	0	109.1	Y830 T911 S912 Q913 F1008 T1012	Y830-Y1010 HydrophobicContact CD1-CE1 4.11Å; Y830-Y1010 HydrophobicContact CG-CE1 4.38Å; T911-Y1010 PolarHBondContact O-OH 3.41Å; T911-Y1010 PolarHBondContact OG1-OH 3.45Å; S912-Y1010 VanDerWaalsContact C-CE2 3.47Å; Q913-Y1010 HydrophobicContact CG-CD2 4.07Å; Q913-Y1010 HydrophobicContact CG-CG 4.04Å; F1008-Y1010 HydrophobicContact CB-CD2 4.28Å; F1008-Y1010 HydrophobicContact CB-CE2 3.65Å; F1008-Y1010 PolarHBondContact O-N 2.88Å; Y1010-T1012 VanDerWaalsContact C-N 3.32Å; Y1010-T1012 PolarHBondContact O-N 3.09Å
1011	Q	80.5	Confident	79.8	Confident	125 Å²	125	70.2 Å²	70.2	58%	0.584	33%	0.329	S	S	*	.			trans	-71.6	98.4	170.4	-67.4	-173.8	-1.2	0	0	106.5	T829 N1009 S1013	T829-Q1011 PolarHBondContact O-N 2.85Å; N1009-Q1011 PolarHBondContact O-N 3.08Å; Q1011-S1013 PolarHBondContact O-N 3.5Å
1012	T	56	Low	78.7	Confident	100 Å²	100	70.8 Å²	70.8	61%	0.613	33%	0.333	S	S	*	.			trans	-64.8	77.9	154.6	30.8	0	0	0	0	106.6	Y1010 L1014	Y1010-T1012 VanDerWaalsContact C-N 3.32Å; Y1010-T1012 PolarHBondContact O-N 3.09Å; T1012-L1014 PolarHBondContact O-N 2.79Å
1013	S	41.6	Very low	77.4	Confident	64 Å²	64	75.8 Å²	75.8	45%	0.448	36%	0.357	S	S	.	.			trans	-52.2	118.6	147.9	59.1	0	0	0	0	104.1	Q1011 W1015	Q1011-S1013 PolarHBondContact O-N 3.5Å; S1013-W1015 PolarHBondContact O-N 3.28Å; S1013-W1015 PolarHBondContact O-NE1 2.74Å; S1013-W1015 PolarHBondContact OG-NE1 3.36Å
1014	L	39.4	Very low	75.9	Confident	178 Å²	178	82.1 Å²	82.1	93%	0.932	39%	0.387	S	S	*	.			trans	-49.8	109.3	-177.3	-74.2	114.7	0	0	0	109.3	T1012	T1012-L1014 PolarHBondContact O-N 2.79Å
1015	W	35.2	Very low	74.1	Confident	274 Å²	274	89.5 Å²	89.5	100%	1.038	42%	0.422	S	S	*	.			trans	-118.2	0	159.5	-43.9	84.8	0	0	0	106.3	A486 S1013	A486-W1015 HydrophobicContact CB-CZ3 4.49Å; S1013-W1015 PolarHBondContact O-N 3.28Å; S1013-W1015 PolarHBondContact O-NE1 2.74Å; S1013-W1015 PolarHBondContact OG-NE1 3.36Å

Retrieved 1,015 of 1,015 residues in 311.5 ms (Link to these results)

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