A0A087X982_POEFO Loading...

Receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A087X982, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,140 aa.

						>A0A087X982_POEFO|A0A087X982
LKMYWVGNVCLLHVCKRAMELAVCSGTQNGMSTTGDPENHYKLMKERYTGCNIVMGNLEIILMQHTRDFSFLQSIKEVTGHVVFAMNEFSRLPLDNLRVIRGNNLYEDRYALAVMLNYQKDGQHGLQELGLTNLTEILEGGVQIFDNKYLSYAPQVNWFDIVKDASAELMIQKNGPEKPCNEACGNGPCWGPGSNSCQTLTKTVCAPQCNSRCFGRNPSDCCHVECAGGCNGPLDTDCFACKNFNNSGSCVLQCPQTLIYNKQSFKMERNPNAKYQYGSICVAQCPPNFVVDGSSCVRNCPADKMEVDKNGAKRCEPCRGLCPKVCDGTEKQKSKTVDAANIDSFINCTVIKGSLDFTVLGIGGDPYEKIPPLDPEKLKVFNTVQEITDYLNIQSWPESLSNLSVFSNLQTIQGRKLYSFRGYSFLVMNIPSLTSLGLRSLQKLNDGGVYITKNKNLCYYNTVNWMRIISSPQKQQNSRVIKENRKAEQCDVDGHVCDPLCADGCWGAGPDQCVSCNKYSRGGTCVSDCMFLTGTRREFATKSGECLPCHPECKVQEGMKTCTGPGADQCVACSSLQDGPHCVSSCPDGVMGGEGVIFKYASKQGRCETCHMNCTQGCTGPGIGDCVGIAPRALTGHATTGIILGVLATLFISFSIFVLTTLWRRSIVIRRKRAMRRYMESGESFEPLEEKEKVHARIFKPSELRKIKPLGNGAFGTVHKGVWIPEGDTVKLPVAIRTIHDRTGRQNFYKVTDQMTAMGSMNHINVVRTLGFCPGDSLQLVTPLSSQGSMLEHVRSNKNKLSPQRLLNWCVQIAKGMNYLEENRIVHRNLAARNVLLNDNFTAQISDYGVADLLYPDDKKNFFNEGKTPIIKWMALESILFRRYTHQSDVWSYGVTVWEMMSHGTEPYSTMRPQEVPDLLEKGERLSQPQICTIDVYMVMVKCWMIDENVRPTFKELAGEFTRMARDPPRYLVIKESNQHDSPPDEVAQRSADLDELDDLDFDLEDIGVHTSADCGTPGPHLLSRSLSRISRTDTNRVVLNPSTVAGYLPMTPGFGGQVDPLKSRSRLNSARTVSESSEGCGTAVDMEMSEDFSLPGSLKRRRQREDSAYVSQRDSMSGGPPETPSPDAEEEDQNGYVLP
					

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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	L	36.1	Very low	32.1	Very low	213 Å²	213	168.1 Å²	168.1	100%	1.115	87%	0.87	S	S	*	*				0	118.9	0	-81.6	62.4	0	0	0	106.3
2	K	38.4	Very low	31.9	Very low	199 Å²	199	167.7 Å²	167.7	87%	0.865	87%	0.868	S	S	*	*				70.7	137.1	96.1	-76.3	-169.7	172.2	-176.2	0	113.9
3	M	30.1	Very low	31.6	Very low	174 Å²	174	168.4 Å²	168.4	86%	0.857	87%	0.865	S	S	*	*			trans	70	65.4	175.5	-56.5	-175.6	81.4	0	0	117.9
4	Y	29.4	Very low	31.8	Very low	242 Å²	242	166.5 Å²	166.5	95%	0.949	86%	0.864	S	S	*	*	S	Bend	trans	-145.4	36.9	139.6	-93.6	-65.9	0	0	0	111.1
5	W	34.6	Very low	31.5	Very low	245 Å²	245	163.9 Å²	163.9	93%	0.928	86%	0.864	S	S	*	*			trans	-130.9	91.4	176.1	-101.5	78.3	0	0	0	108.9
6	V	36.2	Very low	31.3	Very low	154 Å²	154	166.4 Å²	166.4	93%	0.933	87%	0.866	S	S	*	*	S	Bend	trans	172.4	124.5	153.5	154.5	0	0	0	0	104.1
7	G	30.4	Very low	31	Very low	73 Å²	73	171.2 Å²	171.2	75%	0.753	87%	0.87	S	S	*	*	S	Bend	trans	143.3	-17.3	173	0	0	0	0	0	117.3
8	N	30.5	Very low	31	Very low	154 Å²	154	166.4 Å²	166.4	82%	0.824	86%	0.86	S	S	*	*	S	Bend	trans	-124.7	44.8	-172.1	-121.8	-16.7	0	0	0	113.8
9	V	31.2	Very low	31.3	Very low	120 Å²	120	164.1 Å²	164.1	73%	0.727	85%	0.846	S	S	*	*	S	Bend	trans	-119	-17.3	-179.1	-179.4	0	0	0	0	112.8
10	C	28.7	Very low	32.3	Very low	116 Å²	116	164.9 Å²	164.9	78%	0.784	85%	0.846	S	S	*	*	S	Bend	trans	-96	-2.1	-171.4	-62.8	0	0	0	0	116.1
11	L	27.7	Very low	33.7	Very low	159 Å²	159	160.2 Å²	160.2	83%	0.832	82%	0.823	S	S	*	*	S	Bend	trans	-106.3	8	-174.7	-88.1	163.4	0	0	0	115.4
12	L	30	Very low	35.6	Very low	163 Å²	163	151.9 Å²	151.9	85%	0.853	79%	0.785	S	S	*	*	S	Bend	trans	-114.7	20.3	174.4	-85.9	166.7	0	0	0	113.5
13	H	28	Very low	37.6	Very low	177 Å²	177	144.9 Å²	144.9	82%	0.819	76%	0.759	S	S	*	*	S	Bend	trans	-132.3	3.2	-177.5	-102.3	34.2	0	0	0	116.1
14	V	33.4	Very low	40.1	Very low	142 Å²	142	137.4 Å²	137.4	86%	0.861	72%	0.723	S	S	*	*			trans	-131.4	68.3	172.1	-166.5	0	0	0	0	110.5
15	C	28	Very low	42.4	Very low	128 Å²	128	129.6 Å²	129.6	87%	0.865	70%	0.704	S	S	*	*	S	Bend	trans	-125.7	139.2	157	-159.3	0	0	0	0	108.1	R17	C15-R17 PolarHBondContact O-N 2.85Å
16	K	28.1	Very low	44.7	Very low	203 Å²	203	118.6 Å²	118.6	88%	0.883	67%	0.667	S	S	*	*			trans	-55.2	118.5	-160.1	-65.4	176	179.1	178.6	0	112.4	A18	K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.49Å
17	R	26.5	Very low	46.9	Very low	249 Å²	249	112.2 Å²	112.2	94%	0.94	63%	0.628	S	S	*	*			trans	-62.4	98	149.2	-98.9	-176.1	169.3	171.9	-3.5	107.2	C15 M19	C15-R17 PolarHBondContact O-N 2.85Å; R17-M19 PolarHBondContact O-N 3.18Å
18	A	31.7	Very low	49.4	Very low	84 Å²	84	116.4 Å²	116.4	69%	0.694	63%	0.628	S	S	*	*			trans	-58.5	126	148.5	0	0	0	0	0	106.2	K16 E20	K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.49Å; A18-E20 VanDerWaalsContact C-N 3.32Å; A18-E20 PolarHBondContact O-N 2.87Å
19	M	36	Very low	51.5	Low	122 Å²	122	111.6 Å²	111.6	60%	0.601	60%	0.602	S	S	*	*			trans	-76.5	89.1	-179.7	-174	175.2	-177.5	0	0	108	R17 L21	R17-M19 PolarHBondContact O-N 3.18Å; M19-L21 PolarHBondContact O-N 2.76Å; M19-L21 VanDerWaalsContact O-N 3.1Å
20	E	50.9	Low	53.7	Low	180 Å²	180	107 Å²	107	84%	0.841	58%	0.58	S	S	*	*			trans	-55.3	116.5	170.2	-68.7	-173.5	137.8	0	0	108.4	A18 A22	A18-E20 VanDerWaalsContact C-N 3.32Å; A18-E20 PolarHBondContact O-N 2.87Å; E20-A22 PolarHBondContact O-N 3.08Å; E20-A22 VanDerWaalsContact O-N 3.1Å
21	L	61.4	Low	55.9	Low	67 Å²	67	107.2 Å²	107.2	35%	0.351	57%	0.57	S	S	.	*			trans	-68.7	107.8	179.8	-80.6	158.5	0	0	0	108.3	M19 V23 N52 I53	M19-L21 PolarHBondContact O-N 2.76Å; M19-L21 VanDerWaalsContact O-N 3.1Å; L21-V23 PolarHBondContact O-N 3Å; L21-N52 HydrophobicContact CD2-CB 4.04Å; L21-I53 HydrophobicContact CB-CD1 4.48Å; L21-I53 HydrophobicContact CD1-CD1 4.45Å; L21-I53 HydrophobicContact CD2-CD1 4.4Å
22	A	77.4	Confident	58.1	Low	39 Å²	39	103.4 Å²	103.4	32%	0.322	56%	0.557	S	S	.	*			trans	-69.8	122	177.8	0	0	0	0	0	109.7	E20 G50 N52 I53	E20-A22 PolarHBondContact O-N 3.08Å; E20-A22 VanDerWaalsContact O-N 3.1Å; A22-G50 WeakPolarHBondContact CB-O 3.49Å; A22-N52 PolarHBondContact N-OD1 2.04Å; A22-N52 VanDerWaalsContact N-OD1 3.16Å; A22-N52 WeakPolarHBondContact O-CA 3.48Å; A22-N52 PolarHBondContact O-N 2.95Å; A22-I53 PolarHBondContact O-N 2.81Å; A22-I53 VanDerWaalsContact O-N 3.12Å
23	V	79.8	Confident	59.9	Low	52 Å²	52	99.2 Å²	99.2	32%	0.315	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131	-179.5	-176.2	0	0	0	0	109.2	L21 I53 M55 Y277	L21-V23 PolarHBondContact O-N 3Å; V23-I53 WeakPolarHBondContact CA-O 3.03Å; V23-I53 HydrophobicContact CG2-CB 4.41Å; V23-M55 HydrophobicContact CG1-CB 4.26Å; V23-M55 HydrophobicContact CG1-CG 3.64Å; V23-M55 HydrophobicContact CG1-SD 3.56Å; V23-M55 VanDerWaalsContact CG1-SD 3.56Å; V23-Y277 HydrophobicContact CG1-CE1 4.47Å
24	C	82.9	Confident	61.4	Low	17 Å²	17	93.7 Å²	93.7	12%	0.115	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.1	174.3	61.4	0	0	0	0	110.8	R47 C51 I53 M55	C24-R47 WeakPolarHBondContact CB-O 3.47Å; C24-C51 HydrophobicContact CB-CB 3.68Å; C24-C51 WeakPolarHBondContact CB-SG 3.28Å; C24-C51 PolarHBondContact N-SG 2.93Å; C24-C51 WeakPolarHBondContact SG-CB 3.25Å; C24-C51 CovalentContact SG-SG 2.03Å; C24-C51 PolarHBondContact SG-SG 2.73Å; C24-I53 PolarHBondContact N-O 2.92Å; C24-M55 PolarHBondContact O-N 2.99Å
25	S	77	Confident	63	Low	78 Å²	78	89.7 Å²	89.7	55%	0.545	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.5	171.1	59.2	0	0	0	0	110.2	R47 M55	S25-R47 WeakPolarHBondContact O-CD 3.47Å; S25-R47 WeakPolarHBondContact O-CG 3.35Å; S25-R47 PolarHBondContact O-NH1 2.83Å; S25-R47 PolarHBondContact OG-NH1 3.32Å; S25-M55 WeakPolarHBondContact CA-O 3.34Å
26	G	82.9	Confident	65.4	Low	14 Å²	14	87.5 Å²	87.5	14%	0.144	48%	0.484	C	S	.	.			trans	-70.4	-175.9	171.5	0	0	0	0	0	112.6	R47 M55 N57	G26-R47 PolarHBondContact O-NH1 3.07Å; G26-M55 PolarHBondContact N-O 3.36Å; G26-N57 CarbonylContact C-O 3.49Å; G26-N57 WeakPolarHBondContact CA-O 3.48Å
27	T	83.4	Confident	67.8	Low	19 Å²	19	80.3 Å²	80.3	12%	0.117	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-107.1	168.4	175.3	52	0	0	0	0	111.4	N57 E59	T27-N57 PolarHBondContact N-O 2.84Å; T27-N57 WeakPolarHBondContact O-CB 3.45Å; T27-N57 PolarHBondContact O-ND2 3.49Å; T27-N57 VanDerWaalsContact O-ND2 3.16Å; T27-E59 VanDerWaalsContact C-OE2 3.31Å; T27-E59 WeakPolarHBondContact CB-OE2 3.45Å; T27-E59 WeakPolarHBondContact OG1-CB 3.04Å; T27-E59 PolarHBondContact OG1-OE2 3.3Å
28	Q	81.6	Confident	70.6	Confident	161 Å²	161	72.8 Å²	72.8	75%	0.752	43%	0.434	S	S	*	.			trans	-150.4	52.2	176	-166.7	177.3	2.8	0	0	108.5	E59	Q28-E59 WeakPolarHBondContact CA-OE1 3.28Å; Q28-E59 PolarHBondContact N-OE2 3.32Å
29	N	75.9	Confident	73.1	Confident	54 Å²	54	72.7 Å²	72.7	29%	0.289	42%	0.422	S	S	.	.			trans	-94.7	-19.5	-175.8	-55.3	-22.6	0	0	0	111.6	M31 S32 E59	N29-M31 PolarHBondContact O-N 2.82Å; N29-S32 WeakPolarHBondContact O-CB 3.21Å; N29-S32 PolarHBondContact O-N 2.92Å; N29-S32 PolarHBondContact O-OG 2.77Å; N29-E59 WeakPolarHBondContact CB-OE2 3.04Å; N29-E59 VanDerWaalsContact N-CD 3.3Å; N29-E59 PolarHBondContact N-OE1 2.93Å; N29-E59 PolarHBondContact N-OE2 2.92Å
30	G	76	Confident	75.4	Confident	24 Å²	24	67.8 Å²	67.8	25%	0.247	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-119.5	-168.9	0	0	0	0	0	110.3	E59	G30-E59 PolarHBondContact N-OE1 3.18Å
31	M	76.2	Confident	77.2	Confident	119 Å²	119	60.4 Å²	60.4	59%	0.586	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	7.9	172.2	-62.3	-170.2	-74	0	0	113.8	N29	N29-M31 PolarHBondContact O-N 2.82Å
32	S	73.3	Confident	78.5	Confident	80 Å²	80	63.1 Å²	63.1	56%	0.559	37%	0.371	S	S	*	.			trans	-75.8	138.1	-179.3	-40.5	0	0	0	0	112	N29	N29-S32 WeakPolarHBondContact O-CB 3.21Å; N29-S32 PolarHBondContact O-N 2.92Å; N29-S32 PolarHBondContact O-OG 2.77Å
33	T	68	Low	79	Confident	74 Å²	74	65.5 Å²	65.5	45%	0.454	38%	0.378	S	S	.	.			trans	-109.9	141.2	-173.7	63.3	0	0	0	0	112.5	G35 I61 L62	T33-G35 PolarHBondContact O-N 3.32Å; T33-G35 VanDerWaalsContact O-N 3.1Å; T33-I61 HydrophobicContact CG2-CD1 4.46Å; T33-L62 HydrophobicContact CG2-CD1 3.42Å; T33-L62 VanDerWaalsContact CG2-CD1 3.42Å
34	T	60.1	Low	79.4	Confident	61 Å²	61	63.4 Å²	63.4	37%	0.374	37%	0.365	S	S	.	.			trans	-88.5	58.3	178.5	58.3	0	0	0	0	111.3	H40	T34-H40 PolarHBondContact OG1-ND1 2.87Å
35	G	66	Low	79.8	Confident	58 Å²	58	65.3 Å²	65.3	60%	0.598	37%	0.371	S	S	*	.	S	Bend	trans	72	-131.7	179.9	0	0	0	0	0	113.6	T33	T33-G35 PolarHBondContact O-N 3.32Å; T33-G35 VanDerWaalsContact O-N 3.1Å
36	D	78.3	Confident	80.3	Confident	82 Å²	82	68.5 Å²	68.5	44%	0.439	38%	0.377	S	S	.	.	S	Bend	trans	-66.4	135.9	-173.8	159.3	63.3	0	0	0	113.3	E38 N39 H40	D36-E38 VanDerWaalsContact C-N 3.3Å; D36-E38 PolarHBondContact O-N 2.84Å; D36-E38 WeakPolarHBondContact OD2-CB 3.26Å; D36-E38 PolarHBondContact OD2-N 3Å; D36-N39 WeakPolarHBondContact O-CB 3.38Å; D36-N39 PolarHBondContact O-N 3.16Å; D36-N39 PolarHBondContact OD2-N 3.27Å; D36-N39 PolarHBondContact OD2-ND2 3.26Å; D36-H40 PolarHBondContact O-N 2.92Å
37	P	78.9	Confident	80.5	Confident	53 Å²	53	72.3 Å²	72.3	34%	0.344	39%	0.387	S	S	.	.	H	α-helix	trans	-56.7	-31.1	-177.3	-30	36.8	0	0	0	116.3	H40 Y41	P37-H40 PolarHBondContact O-N 3.49Å; P37-Y41 WeakPolarHBondContact O-CB 3.49Å; P37-Y41 PolarHBondContact O-N 3.16Å
38	E	84	Confident	81	Confident	90 Å²	90	71.5 Å²	71.5	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-47.2	174.4	-176.2	64.9	-119.6	0	0	110.5	D36 H40 Y41 K42 R67	D36-E38 VanDerWaalsContact C-N 3.3Å; D36-E38 PolarHBondContact O-N 2.84Å; D36-E38 WeakPolarHBondContact OD2-CB 3.26Å; D36-E38 PolarHBondContact OD2-N 3Å; E38-H40 VanDerWaalsContact C-N 3.35Å; E38-H40 PolarHBondContact O-N 2.86Å; E38-Y41 PolarHBondContact O-N 2.83Å; E38-K42 WeakPolarHBondContact O-CB 3.45Å; E38-K42 PolarHBondContact O-N 3.46Å; E38-R67 IonicContact OE1-CZ 3.1Å; E38-R67 IonicContact OE1-NH1 3.93Å; E38-R67 PolarHBondContact OE1-NH1 3.38Å; E38-R67 IonicContact OE2-CZ 3.4Å; E38-R67 IonicContact OE2-NH1 3.19Å; E38-R67 PolarHBondContact OE2-NH1 3.24Å; E38-R67 IonicContact OE2-NH2 2.74Å; E38-R67 PolarHBondContact OE2-NH2 3.08Å
39	N	84.6	Confident	81.5	Confident	83 Å²	83	68 Å²	68	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-38	176.9	-72.3	-74.2	0	0	0	112	D36 K42 L43	D36-N39 WeakPolarHBondContact O-CB 3.38Å; D36-N39 PolarHBondContact O-N 3.16Å; D36-N39 PolarHBondContact OD2-N 3.27Å; D36-N39 PolarHBondContact OD2-ND2 3.26Å; N39-K42 PolarHBondContact O-N 2.93Å; N39-L43 WeakPolarHBondContact O-CB 3.4Å; N39-L43 VanDerWaalsContact O-CG 3.26Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 2.83Å
40	H	84.7	Confident	82	Confident	18 Å²	18	67.4 Å²	67.4	8%	0.083	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-48	175.3	-168.9	57.4	0	0	0	112.2	T34 D36 P37 E38 K42 L43 M44 I61 M63	T34-H40 PolarHBondContact OG1-ND1 2.87Å; D36-H40 PolarHBondContact O-N 2.92Å; P37-H40 PolarHBondContact O-N 3.49Å; E38-H40 VanDerWaalsContact C-N 3.35Å; E38-H40 PolarHBondContact O-N 2.86Å; H40-K42 PolarHBondContact O-N 2.62Å; H40-L43 PolarHBondContact O-N 2.93Å; H40-M44 WeakPolarHBondContact O-CB 3.47Å; H40-M44 PolarHBondContact O-N 2.04Å; H40-I61 WeakPolarHBondContact NE2-CG1 3.18Å; H40-M63 VanDerWaalsContact CD2-CE 3.47Å; H40-M63 WeakPolarHBondContact CD2-CE 3.38Å
41	Y	89.3	Confident	82.7	Confident	26 Å²	26	66.5 Å²	66.5	10%	0.102	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-41.6	174	164.9	-103.3	0	0	0	112.3	P37 E38 M44 K45 M63 R67 D68 F69 F71	P37-Y41 WeakPolarHBondContact O-CB 3.49Å; P37-Y41 PolarHBondContact O-N 3.16Å; E38-Y41 PolarHBondContact O-N 2.83Å; Y41-M44 WeakPolarHBondContact O-CB 3.1Å; Y41-M44 PolarHBondContact O-N 2.86Å; Y41-K45 HydrophobicContact CE1-CD 4.46Å; Y41-K45 WeakPolarHBondContact O-CB 3.35Å; Y41-K45 PolarHBondContact O-N 2.86Å; Y41-K45 PolarHBondContact OH-NZ 2.9Å; Y41-M63 HydrophobicContact CD2-SD 4.07Å; Y41-R67 VanDerWaalsContact CD1-NH1 3.27Å; Y41-R67 HydrophobicContact CD2-CB 4.13Å; Y41-R67 HydrophobicContact CD2-CG 4.22Å; Y41-R67 HydrophobicContact CE2-CB 3.86Å; Y41-R67 HydrophobicContact CE2-CG 4.36Å; Y41-D68 PolarHBondContact OH-O 3.08Å; Y41-F69 HydrophobicContact CD2-CE1 4.09Å; Y41-F69 HydrophobicContact CD2-CZ 4.35Å; Y41-F69 HydrophobicContact CE2-CE1 4.12Å; Y41-F69 HydrophobicContact CE2-CZ 4.41Å; Y41-F71 HydrophobicContact CE2-CE1 4.2Å
42	K	88.6	Confident	83.4	Confident	124 Å²	124	61.4 Å²	61.4	54%	0.539	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-47.3	177.4	-175.8	-176.3	173.6	-170.9	0	111.8	E38 N39 H40 M44 K45 E46	E38-K42 WeakPolarHBondContact O-CB 3.45Å; E38-K42 PolarHBondContact O-N 3.46Å; N39-K42 PolarHBondContact O-N 2.93Å; H40-K42 PolarHBondContact O-N 2.62Å; K42-M44 VanDerWaalsContact C-N 3.33Å; K42-M44 PolarHBondContact O-N 3.45Å; K42-K45 PolarHBondContact O-N 2.04Å; K42-E46 WeakPolarHBondContact O-CB 3.25Å; K42-E46 PolarHBondContact O-N 2.8Å
43	L	86.8	Confident	84.1	Confident	89 Å²	89	58.1 Å²	58.1	47%	0.466	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-37.4	177	-72.2	167.9	0	0	0	112.2	N39 H40 R47	N39-L43 WeakPolarHBondContact O-CB 3.4Å; N39-L43 VanDerWaalsContact O-CG 3.26Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 2.83Å; H40-L43 PolarHBondContact O-N 2.93Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 PolarHBondContact O-N 3.45Å
44	M	88.8	Confident	85.2	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-46.5	172.5	-178.4	-173.1	-68.5	0	0	111.4	H40 Y41 K42 R47 Y48 I60 M63 F69 F71	H40-M44 WeakPolarHBondContact O-CB 3.47Å; H40-M44 PolarHBondContact O-N 2.04Å; Y41-M44 WeakPolarHBondContact O-CB 3.1Å; Y41-M44 PolarHBondContact O-N 2.86Å; K42-M44 VanDerWaalsContact C-N 3.33Å; K42-M44 PolarHBondContact O-N 3.45Å; M44-R47 PolarHBondContact O-N 3.23Å; M44-Y48 HydrophobicContact CG-CD2 3.68Å; M44-Y48 HydrophobicContact CG-CE2 3.94Å; M44-Y48 VanDerWaalsContact O-CD2 3.25Å; M44-Y48 WeakPolarHBondContact O-CD2 3.49Å; M44-Y48 PolarHBondContact O-N 2.96Å; M44-I60 HydrophobicContact CE-CB 4.28Å; M44-I60 HydrophobicContact CE-CG1 4.3Å; M44-I60 HydrophobicContact CE-CG2 4.09Å; M44-I60 HydrophobicContact SD-CG1 4.44Å; M44-I60 HydrophobicContact SD-CG2 4.35Å; M44-M63 HydrophobicContact CE-CE 3.76Å; M44-M63 HydrophobicContact CE-CG 4.33Å; M44-M63 HydrophobicContact CE-SD 3.97Å; M44-M63 HydrophobicContact SD-CE 4.47Å; M44-M63 HydrophobicContact SD-SD 3.98Å; M44-F69 HydrophobicContact SD-CE1 4.29Å; M44-F71 HydrophobicContact CG-CE2 4.41Å; M44-F71 HydrophobicContact CG-CZ 4.3Å
45	K	91	Very high	86.3	Confident	56 Å²	56	54 Å²	54	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-44.4	179.6	-168.4	157.4	-165.3	152.7	0	111.9	Y41 K42 R47 T49 D68 F71	Y41-K45 HydrophobicContact CE1-CD 4.46Å; Y41-K45 WeakPolarHBondContact O-CB 3.35Å; Y41-K45 PolarHBondContact O-N 2.86Å; Y41-K45 PolarHBondContact OH-NZ 2.9Å; K42-K45 PolarHBondContact O-N 2.04Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-R47 PolarHBondContact O-N 3.39Å; K45-T49 WeakPolarHBondContact O-CB 3.07Å; K45-T49 PolarHBondContact O-N 2.04Å; K45-T49 PolarHBondContact O-OG1 2.89Å; K45-D68 PolarHBondContact NZ-O 3.12Å; K45-D68 IonicContact NZ-OD2 3.66Å; K45-D68 PolarHBondContact NZ-OD2 3.08Å; K45-F71 HydrophobicContact CB-CD1 4.44Å; K45-F71 HydrophobicContact CB-CE1 3.99Å; K45-F71 HydrophobicContact CB-CE2 4.35Å; K45-F71 HydrophobicContact CB-CZ 3.95Å; K45-F71 HydrophobicContact CD-CD1 3.82Å; K45-F71 HydrophobicContact CD-CE1 3.82Å; K45-F71 HydrophobicContact CG-CD1 3.74Å; K45-F71 HydrophobicContact CG-CD2 4.43Å; K45-F71 HydrophobicContact CG-CE1 3.77Å; K45-F71 HydrophobicContact CG-CE2 4.47Å; K45-F71 HydrophobicContact CG-CG 4.09Å; K45-F71 HydrophobicContact CG-CZ 4.15Å
46	E	89	Confident	87.2	Confident	145 Å²	145	52 Å²	52	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-62.4	-38.6	176.8	-171.5	170	178	0	0	112.3	K42	K42-E46 WeakPolarHBondContact O-CB 3.25Å; K42-E46 PolarHBondContact O-N 2.8Å
47	R	87.2	Confident	87.8	Confident	95 Å²	95	48.2 Å²	48.2	36%	0.358	25%	0.25	S	S	.	.	H	α-helix	trans	-70.3	-41.9	178.8	177.5	-177.7	-67.2	-95.6	3.2	114.4	C24 S25 G26 L43 M44 K45	C24-R47 WeakPolarHBondContact CB-O 3.47Å; S25-R47 WeakPolarHBondContact O-CD 3.47Å; S25-R47 WeakPolarHBondContact O-CG 3.35Å; S25-R47 PolarHBondContact O-NH1 2.83Å; S25-R47 PolarHBondContact OG-NH1 3.32Å; G26-R47 PolarHBondContact O-NH1 3.07Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 PolarHBondContact O-N 3.45Å; M44-R47 PolarHBondContact O-N 3.23Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-R47 PolarHBondContact O-N 3.39Å
48	Y	92.1	Very high	88.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-105.2	-7.5	-169.1	-61.4	-56.8	0	0	0	114.5	M44 G50 C51 V54 N57 L58 L72 I75	M44-Y48 HydrophobicContact CG-CD2 3.68Å; M44-Y48 HydrophobicContact CG-CE2 3.94Å; M44-Y48 VanDerWaalsContact O-CD2 3.25Å; M44-Y48 WeakPolarHBondContact O-CD2 3.49Å; M44-Y48 PolarHBondContact O-N 2.96Å; Y48-G50 PolarHBondContact O-N 2.86Å; Y48-G50 VanDerWaalsContact O-N 3.08Å; Y48-C51 WeakPolarHBondContact O-CB 3.45Å; Y48-C51 PolarHBondContact O-N 2.92Å; Y48-C51 VanDerWaalsContact O-N 3.11Å; Y48-V54 HydrophobicContact CD1-CG2 4.24Å; Y48-V54 HydrophobicContact CE1-CG1 4.02Å; Y48-V54 HydrophobicContact CE1-CG2 4.11Å; Y48-N57 PolarHBondContact OH-O 2.03Å; Y48-L58 HydrophobicContact CD1-CD1 4.42Å; Y48-L58 HydrophobicContact CD2-CD1 4.22Å; Y48-L58 HydrophobicContact CE1-CD1 4.04Å; Y48-L58 HydrophobicContact CE2-CD1 3.79Å; Y48-L72 HydrophobicContact CD2-CD2 4.31Å; Y48-L72 HydrophobicContact CG-CD2 4.31Å; Y48-I75 HydrophobicContact CD1-CD1 4.48Å
49	T	92	Very high	89	Confident	87 Å²	87	41.9 Å²	41.9	53%	0.534	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	114.5	178.2	-69.7	0	0	0	0	111.6	K45 C51	K45-T49 WeakPolarHBondContact O-CB 3.07Å; K45-T49 PolarHBondContact O-N 2.04Å; K45-T49 PolarHBondContact O-OG1 2.89Å; T49-C51 VanDerWaalsContact C-N 3.32Å
50	G	88.3	Confident	89.3	Confident	41 Å²	41	38 Å²	38	42%	0.423	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	3.9	179.4	0	0	0	0	0	114.8	A22 Y48 S74	A22-G50 WeakPolarHBondContact CB-O 3.49Å; Y48-G50 PolarHBondContact O-N 2.86Å; Y48-G50 VanDerWaalsContact O-N 3.08Å; G50-S74 WeakPolarHBondContact CA-OG 3.31Å; G50-S74 PolarHBondContact N-OG 3.13Å
51	C	90.1	Very high	89.6	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.034	19%	0.193	C	C	.	.			trans	-75.6	132.3	-179.7	-178.3	0	0	0	0	112.3	C24 Y48 T49 I53 S74 I75	C24-C51 HydrophobicContact CB-CB 3.68Å; C24-C51 WeakPolarHBondContact CB-SG 3.28Å; C24-C51 PolarHBondContact N-SG 2.93Å; C24-C51 WeakPolarHBondContact SG-CB 3.25Å; C24-C51 CovalentContact SG-SG 2.03Å; C24-C51 PolarHBondContact SG-SG 2.73Å; Y48-C51 WeakPolarHBondContact O-CB 3.45Å; Y48-C51 PolarHBondContact O-N 2.92Å; Y48-C51 VanDerWaalsContact O-N 3.11Å; T49-C51 VanDerWaalsContact C-N 3.32Å; C51-I53 PolarHBondContact SG-O 2.87Å; C51-S74 PolarHBondContact N-OG 3.35Å; C51-S74 CarbonylContact O-C 3.16Å; C51-S74 VanDerWaalsContact O-O 3.1Å; C51-S74 PolarHBondContact O-OG 2.89Å; C51-I75 VanDerWaalsContact O-CA 3.31Å; C51-I75 WeakPolarHBondContact O-CA 3.42Å; C51-I75 WeakPolarHBondContact O-CG1 3.44Å; C51-I75 PolarHBondContact O-N 3.31Å
52	N	90.5	Very high	89.5	Confident	13 Å²	13	39.4 Å²	39.4	7%	0.07	21%	0.205	C	C	.	.	S	Bend	trans	-99.3	-36.6	174.3	-56	132.5	0	0	0	113.3	L21 A22 S74 K76 E77	L21-N52 HydrophobicContact CD2-CB 4.04Å; A22-N52 PolarHBondContact N-OD1 2.04Å; A22-N52 VanDerWaalsContact N-OD1 3.16Å; A22-N52 WeakPolarHBondContact O-CA 3.48Å; A22-N52 PolarHBondContact O-N 2.95Å; N52-S74 WeakPolarHBondContact CA-O 3.02Å; N52-S74 PolarHBondContact ND2-O 2.76Å; N52-K76 PolarHBondContact O-N 3.33Å; N52-E77 PolarHBondContact O-N 3.19Å
53	I	88.8	Confident	89.5	Confident	10 Å²	10	33.6 Å²	33.6	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.7	-179.4	-53.6	-179.3	0	0	0	109.5	L21 A22 V23 C24 C51 M55 E77 T79 I280	L21-I53 HydrophobicContact CB-CD1 4.48Å; L21-I53 HydrophobicContact CD1-CD1 4.45Å; L21-I53 HydrophobicContact CD2-CD1 4.4Å; A22-I53 PolarHBondContact O-N 2.81Å; A22-I53 VanDerWaalsContact O-N 3.12Å; V23-I53 WeakPolarHBondContact CA-O 3.03Å; V23-I53 HydrophobicContact CG2-CB 4.41Å; C24-I53 PolarHBondContact N-O 2.92Å; C51-I53 PolarHBondContact SG-O 2.87Å; I53-M55 HydrophobicContact CG2-CG 4.48Å; I53-M55 PolarHBondContact O-N 2.03Å; I53-E77 WeakPolarHBondContact CA-O 3.27Å; I53-E77 HydrophobicContact CG1-CB 4.31Å; I53-E77 HydrophobicContact CG2-CB 4.31Å; I53-E77 HydrophobicContact CG2-CG 4.43Å; I53-T79 HydrophobicContact CG2-CG2 4.3Å; I53-I280 HydrophobicContact CD1-CG2 4.26Å
54	V	90	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	105.3	173.4	-176.7	0	0	0	0	108.9	Y48 G56 I75 E77 V78 T79	Y48-V54 HydrophobicContact CD1-CG2 4.24Å; Y48-V54 HydrophobicContact CE1-CG1 4.02Å; Y48-V54 HydrophobicContact CE1-CG2 4.11Å; V54-G56 PolarHBondContact O-N 2.88Å; V54-I75 HydrophobicContact CG2-CD1 4.07Å; V54-I75 HydrophobicContact CG2-CG1 4.4Å; V54-I75 HydrophobicContact CG2-CG2 4.06Å; V54-E77 PolarHBondContact N-O 3.29Å; V54-V78 HydrophobicContact CB-CB 4.49Å; V54-V78 HydrophobicContact CB-CG1 4.37Å; V54-V78 HydrophobicContact CB-CG2 4.13Å; V54-V78 HydrophobicContact CG2-CG2 4.16Å; V54-T79 PolarHBondContact O-N 3.46Å; V54-T79 PolarHBondContact O-OG1 3.14Å
55	M	83.3	Confident	89.4	Confident	49 Å²	49	36.1 Å²	36.1	24%	0.241	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	92.8	170.3	-75.1	-171.8	72.4	0	0	109.7	V23 C24 S25 G26 I53 T79 Y277	V23-M55 HydrophobicContact CG1-CB 4.26Å; V23-M55 HydrophobicContact CG1-CG 3.64Å; V23-M55 HydrophobicContact CG1-SD 3.56Å; V23-M55 VanDerWaalsContact CG1-SD 3.56Å; C24-M55 PolarHBondContact O-N 2.99Å; S25-M55 WeakPolarHBondContact CA-O 3.34Å; G26-M55 PolarHBondContact N-O 3.36Å; I53-M55 HydrophobicContact CG2-CG 4.48Å; I53-M55 PolarHBondContact O-N 2.03Å; M55-T79 WeakPolarHBondContact CA-OG1 3.06Å; M55-T79 HydrophobicContact CG-CG2 4.37Å; M55-Y277 HydrophobicContact CE-CD2 4.25Å; M55-Y277 HydrophobicContact CE-CE1 4.43Å; M55-Y277 HydrophobicContact CE-CE2 3.91Å; M55-Y277 HydrophobicContact SD-CD1 4.22Å; M55-Y277 HydrophobicContact SD-CE1 3.62Å; M55-Y277 HydrophobicContact SD-CE2 4.07Å; M55-Y277 VanDerWaalsContact SD-CZ 3.52Å
56	G	85.9	Confident	89.2	Confident	16 Å²	16	38.4 Å²	38.4	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	132.5	-158.6	-170.5	0	0	0	0	0	110.7	V54 T79 G80	V54-G56 PolarHBondContact O-N 2.88Å; G56-T79 PolarHBondContact N-OG1 2.9Å; G56-G80 WeakPolarHBondContact O-CA 3.33Å; G56-G80 PolarHBondContact O-N 3.4Å
57	N	91	Very high	89.2	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-95.6	153.7	-179.8	-42	-39	0	0	0	110.7	G26 T27 Y48 E59 G80 H81	G26-N57 CarbonylContact C-O 3.49Å; G26-N57 WeakPolarHBondContact CA-O 3.48Å; T27-N57 PolarHBondContact N-O 2.84Å; T27-N57 WeakPolarHBondContact O-CB 3.45Å; T27-N57 PolarHBondContact O-ND2 3.49Å; T27-N57 VanDerWaalsContact O-ND2 3.16Å; Y48-N57 PolarHBondContact OH-O 2.03Å; N57-E59 HydrophobicContact CB-CG 4.29Å; N57-G80 WeakPolarHBondContact OD1-CA 3.02Å; N57-H81 CarbonylContact C-O 3.58Å; N57-H81 VanDerWaalsContact CA-O 3.29Å; N57-H81 WeakPolarHBondContact CA-O 3.46Å; N57-H81 WeakPolarHBondContact CB-O 3.5Å; N57-H81 PolarHBondContact ND2-CE1 2.8Å; N57-H81 VanDerWaalsContact ND2-CE1 3.29Å; N57-H81 PolarHBondContact ND2-NE2 2.91Å; N57-H81 PolarHBondContact OD1-N 2.94Å
58	L	94.1	Very high	89.3	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	88.4	171.2	179.1	60.4	0	0	0	109.2	Y48 I60 I75 V78 H81 V82 V83 L94	Y48-L58 HydrophobicContact CD1-CD1 4.42Å; Y48-L58 HydrophobicContact CD2-CD1 4.22Å; Y48-L58 HydrophobicContact CE1-CD1 4.04Å; Y48-L58 HydrophobicContact CE2-CD1 3.79Å; L58-I60 HydrophobicContact CD1-CD1 4.34Å; L58-I60 HydrophobicContact CD1-CG1 4.26Å; L58-I60 HydrophobicContact CG-CD1 4.33Å; L58-I60 HydrophobicContact CG-CG1 4.37Å; L58-I75 HydrophobicContact CD1-CD1 4.27Å; L58-I75 HydrophobicContact CD2-CD1 4.12Å; L58-V78 HydrophobicContact CB-CG1 4.16Å; L58-V78 HydrophobicContact CB-CG2 4.04Å; L58-V78 HydrophobicContact CD2-CG2 4.06Å; L58-H81 PolarHBondContact N-O 2.04Å; L58-V82 HydrophobicContact CB-CG1 4.47Å; L58-V82 HydrophobicContact CB-CG2 4.29Å; L58-V82 HydrophobicContact CD2-CG1 4.39Å; L58-V82 WeakPolarHBondContact O-CA 3.08Å; L58-V83 PolarHBondContact O-N 3.4Å; L58-L94 HydrophobicContact CD2-CD1 4.27Å; L58-L94 HydrophobicContact CD2-CD2 4.13Å
59	E	92.5	Very high	89.3	Confident	10 Å²	10	33.3 Å²	33.3	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.9	176.5	-56.4	161.4	150.5	0	0	109.5	T27 Q28 N29 G30 N57	T27-E59 VanDerWaalsContact C-OE2 3.31Å; T27-E59 WeakPolarHBondContact CB-OE2 3.45Å; T27-E59 WeakPolarHBondContact OG1-CB 3.04Å; T27-E59 PolarHBondContact OG1-OE2 3.3Å; Q28-E59 WeakPolarHBondContact CA-OE1 3.28Å; Q28-E59 PolarHBondContact N-OE2 3.32Å; N29-E59 WeakPolarHBondContact CB-OE2 3.04Å; N29-E59 VanDerWaalsContact N-CD 3.3Å; N29-E59 PolarHBondContact N-OE1 2.93Å; N29-E59 PolarHBondContact N-OE2 2.92Å; G30-E59 PolarHBondContact N-OE1 3.18Å; N57-E59 HydrophobicContact CB-CG 4.29Å
60	I	91.6	Very high	89.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	104.8	175.6	-57.3	178	0	0	0	107.4	M44 L58 M63 L72 V83 F84 A85 N87 F89 L92 L94	M44-I60 HydrophobicContact CE-CB 4.28Å; M44-I60 HydrophobicContact CE-CG1 4.3Å; M44-I60 HydrophobicContact CE-CG2 4.09Å; M44-I60 HydrophobicContact SD-CG1 4.44Å; M44-I60 HydrophobicContact SD-CG2 4.35Å; L58-I60 HydrophobicContact CD1-CD1 4.34Å; L58-I60 HydrophobicContact CD1-CG1 4.26Å; L58-I60 HydrophobicContact CG-CD1 4.33Å; L58-I60 HydrophobicContact CG-CG1 4.37Å; I60-M63 HydrophobicContact CG2-CG 3.73Å; I60-L72 HydrophobicContact CD1-CD1 3.69Å; I60-V83 PolarHBondContact N-O 3.48Å; I60-F84 HydrophobicContact CB-CD1 4.16Å; I60-F84 HydrophobicContact CD1-CD1 4.21Å; I60-F84 HydrophobicContact CD1-CE1 3.97Å; I60-F84 HydrophobicContact CG1-CD1 4.46Å; I60-F84 WeakPolarHBondContact O-CA 3.45Å; I60-A85 PolarHBondContact O-N 3.28Å; I60-A85 VanDerWaalsContact O-N 3.09Å; I60-N87 PolarHBondContact O-ND2 2.97Å; I60-F89 HydrophobicContact CG2-CE1 3.78Å; I60-F89 HydrophobicContact CG2-CZ 3.99Å; I60-L92 HydrophobicContact CD1-CD1 3.77Å; I60-L92 HydrophobicContact CD1-CD2 4.07Å; I60-L94 HydrophobicContact CD1-CD1 4.38Å
61	I	89.9	Confident	89.5	Confident	6 Å²	6	30.6 Å²	30.6	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.7	-172.2	68.2	176.5	0	0	0	112.5	T33 H40 M63 V83 A85 N87	T33-I61 HydrophobicContact CG2-CD1 4.46Å; H40-I61 WeakPolarHBondContact NE2-CG1 3.18Å; I61-M63 WeakPolarHBondContact O-CE 3.46Å; I61-M63 PolarHBondContact O-N 3Å; I61-M63 VanDerWaalsContact O-N 3.14Å; I61-V83 HydrophobicContact CG2-CG1 4.41Å; I61-A85 VanDerWaalsContact CA-O 3.26Å; I61-A85 WeakPolarHBondContact CA-O 3.44Å; I61-A85 HydrophobicContact CG2-CB 3.95Å; I61-N87 VanDerWaalsContact C-OD1 3.26Å; I61-N87 WeakPolarHBondContact CA-OD1 3.32Å
62	L	88.1	Confident	89.6	Confident	68 Å²	68	30.4 Å²	30.4	36%	0.356	16%	0.162	S	C	.	.	S	Bend	trans	51.7	32.3	176.3	-60.1	179.5	0	0	0	115.5	T33 A85 M86 N87	T33-L62 HydrophobicContact CG2-CD1 3.42Å; T33-L62 VanDerWaalsContact CG2-CD1 3.42Å; L62-A85 PolarHBondContact N-O 2.04Å; L62-M86 HydrophobicContact CD2-CB 3.64Å; L62-M86 HydrophobicContact CD2-CE 3.93Å; L62-M86 HydrophobicContact CD2-SD 4.19Å; L62-N87 PolarHBondContact N-OD1 3.44Å
63	M	89.4	Confident	89.7	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.181	C	C	.	.			trans	-79.5	127.4	177.9	-68.3	-64.4	106.6	0	0	112.5	H40 Y41 M44 I60 I61 F69 N87 E88 F89	H40-M63 VanDerWaalsContact CD2-CE 3.47Å; H40-M63 WeakPolarHBondContact CD2-CE 3.38Å; Y41-M63 HydrophobicContact CD2-SD 4.07Å; M44-M63 HydrophobicContact CE-CE 3.76Å; M44-M63 HydrophobicContact CE-CG 4.33Å; M44-M63 HydrophobicContact CE-SD 3.97Å; M44-M63 HydrophobicContact SD-CE 4.47Å; M44-M63 HydrophobicContact SD-SD 3.98Å; I60-M63 HydrophobicContact CG2-CG 3.73Å; I61-M63 WeakPolarHBondContact O-CE 3.46Å; I61-M63 PolarHBondContact O-N 3Å; I61-M63 VanDerWaalsContact O-N 3.14Å; M63-F69 HydrophobicContact CB-CE1 4.36Å; M63-F69 HydrophobicContact CB-CE2 4.36Å; M63-F69 HydrophobicContact CB-CZ 3.64Å; M63-F69 HydrophobicContact CG-CE1 3.83Å; M63-F69 HydrophobicContact CG-CZ 3.61Å; M63-F69 HydrophobicContact SD-CE1 3.62Å; M63-F69 HydrophobicContact SD-CZ 3.62Å; M63-N87 HydrophobicContact CB-CB 4.27Å; M63-N87 WeakPolarHBondContact CB-OD1 3.08Å; M63-N87 WeakPolarHBondContact CG-OD1 3.06Å; M63-N87 PolarHBondContact N-OD1 3.19Å; M63-E88 PolarHBondContact O-N 3.06Å; M63-F89 HydrophobicContact CB-CD1 3.62Å; M63-F89 HydrophobicContact CB-CE1 3.56Å; M63-F89 HydrophobicContact CG-CD1 4.4Å; M63-F89 HydrophobicContact CG-CE1 3.97Å
64	Q	87.4	Confident	89.8	Confident	71 Å²	71	35.4 Å²	35.4	33%	0.332	19%	0.189	S	C	.	.			trans	-70.5	151.7	173.8	-66.2	167.6	-31.6	0	0	112.2	T66 R67	Q64-T66 PolarHBondContact O-N 3.4Å; Q64-R67 HydrophobicContact CB-CG 4.06Å; Q64-R67 VanDerWaalsContact O-CG 3.3Å; Q64-R67 WeakPolarHBondContact O-CG 3.3Å; Q64-R67 PolarHBondContact O-N 3.28Å; Q64-R67 VanDerWaalsContact OE1-NE 3.13Å
65	H	86.1	Confident	90	Very high	79 Å²	79	35.4 Å²	35.4	37%	0.366	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.9	-177.8	65.3	-83.1	0	0	0	114.8	R67 E88 H124	H65-R67 VanDerWaalsContact C-N 3.32Å; H65-R67 PolarHBondContact O-N 2.94Å; H65-E88 HydrophobicContact CB-CB 3.88Å; H65-E88 IonicContact CE1-OE2 3.8Å; H65-E88 IonicContact CG-OE2 3.77Å; H65-E88 PolarHBondContact N-OE2 2.8Å; H65-E88 IonicContact ND1-OE2 2.83Å; H65-E88 PolarHBondContact ND1-OE2 2.7Å; H65-H124 HydrophobicContact CB-CB 4.12Å; H65-H124 AromaticContact CE1-CD2 3.95Å; H65-H124 AromaticContact CG-CG 3.92Å; H65-H124 AromaticContact ND1-CD2 3.97Å
66	T	85.5	Confident	90.4	Very high	103 Å²	103	37 Å²	37	63%	0.632	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	1.2	-178.5	53.7	0	0	0	0	114.5	Q64	Q64-T66 PolarHBondContact O-N 3.4Å
67	R	88.9	Confident	90.6	Very high	50 Å²	50	36.9 Å²	36.9	19%	0.189	19%	0.189	C	C	.	.			trans	-93	146.4	-167.9	-59.6	-66.4	176.5	170.1	-8	112.9	E38 Y41 Q64 H65 F69	E38-R67 IonicContact OE1-CZ 3.1Å; E38-R67 IonicContact OE1-NH1 3.93Å; E38-R67 PolarHBondContact OE1-NH1 3.38Å; E38-R67 IonicContact OE2-CZ 3.4Å; E38-R67 IonicContact OE2-NH1 3.19Å; E38-R67 PolarHBondContact OE2-NH1 3.24Å; E38-R67 IonicContact OE2-NH2 2.74Å; E38-R67 PolarHBondContact OE2-NH2 3.08Å; Y41-R67 VanDerWaalsContact CD1-NH1 3.27Å; Y41-R67 HydrophobicContact CD2-CB 4.13Å; Y41-R67 HydrophobicContact CD2-CG 4.22Å; Y41-R67 HydrophobicContact CE2-CB 3.86Å; Y41-R67 HydrophobicContact CE2-CG 4.36Å; Q64-R67 HydrophobicContact CB-CG 4.06Å; Q64-R67 VanDerWaalsContact O-CG 3.3Å; Q64-R67 WeakPolarHBondContact O-CG 3.3Å; Q64-R67 PolarHBondContact O-N 3.28Å; Q64-R67 VanDerWaalsContact OE1-NE 3.13Å; H65-R67 VanDerWaalsContact C-N 3.32Å; H65-R67 PolarHBondContact O-N 2.94Å; R67-F69 HydrophobicContact CB-CD2 4.42Å; R67-F69 HydrophobicContact CB-CE1 4.41Å; R67-F69 HydrophobicContact CB-CE2 3.49Å; R67-F69 VanDerWaalsContact CB-CE2 3.49Å; R67-F69 HydrophobicContact CB-CZ 3.45Å; R67-F69 VanDerWaalsContact CB-CZ 3.45Å; R67-F69 HydrophobicContact CG-CZ 4.29Å
68	D	90.8	Very high	90.8	Very high	76 Å²	76	36.8 Å²	36.8	41%	0.406	19%	0.189	S	C	.	.			trans	-95	111.2	177.5	160	45	0	0	0	111.5	Y41 K45 S70 F71	Y41-D68 PolarHBondContact OH-O 3.08Å; K45-D68 PolarHBondContact NZ-O 3.12Å; K45-D68 IonicContact NZ-OD2 3.66Å; K45-D68 PolarHBondContact NZ-OD2 3.08Å; D68-S70 VanDerWaalsContact CG-OG 3.28Å; D68-S70 WeakPolarHBondContact OD1-CB 3.01Å; D68-S70 PolarHBondContact OD1-N 3.16Å; D68-S70 PolarHBondContact OD1-OG 3.11Å; D68-S70 PolarHBondContact OD2-OG 3.38Å; D68-F71 WeakPolarHBondContact O-CD1 3.38Å; D68-F71 WeakPolarHBondContact O-CE1 3.27Å
69	F	91.9	Very high	90.6	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.044	19%	0.193	C	C	.	.			trans	-98.6	7.8	179.3	-64.7	-69.6	0	0	0	114.8	Y41 M44 M63 R67 F71 L72 F89 L92 P93	Y41-F69 HydrophobicContact CD2-CE1 4.09Å; Y41-F69 HydrophobicContact CD2-CZ 4.35Å; Y41-F69 HydrophobicContact CE2-CE1 4.12Å; Y41-F69 HydrophobicContact CE2-CZ 4.41Å; M44-F69 HydrophobicContact SD-CE1 4.29Å; M63-F69 HydrophobicContact CB-CE1 4.36Å; M63-F69 HydrophobicContact CB-CE2 4.36Å; M63-F69 HydrophobicContact CB-CZ 3.64Å; M63-F69 HydrophobicContact CG-CE1 3.83Å; M63-F69 HydrophobicContact CG-CZ 3.61Å; M63-F69 HydrophobicContact SD-CE1 3.62Å; M63-F69 HydrophobicContact SD-CZ 3.62Å; R67-F69 HydrophobicContact CB-CD2 4.42Å; R67-F69 HydrophobicContact CB-CE1 4.41Å; R67-F69 HydrophobicContact CB-CE2 3.49Å; R67-F69 VanDerWaalsContact CB-CE2 3.49Å; R67-F69 HydrophobicContact CB-CZ 3.45Å; R67-F69 VanDerWaalsContact CB-CZ 3.45Å; R67-F69 HydrophobicContact CG-CZ 4.29Å; F69-F71 HydrophobicContact CD1-CE1 4.17Å; F69-F71 HydrophobicContact CD1-CZ 4.19Å; F69-F71 PolarHBondContact O-N 2.63Å; F69-L72 HydrophobicContact CB-CD1 4.17Å; F69-L72 HydrophobicContact CD1-CD1 4.09Å; F69-L72 WeakPolarHBondContact O-CB 3.21Å; F69-L72 PolarHBondContact O-N 2.81Å; F69-F89 HydrophobicContact CD2-CD1 4.09Å; F69-F89 HydrophobicContact CE2-CB 4.27Å; F69-F89 AromaticContact CE2-CD1 3.51Å; F69-F89 HydrophobicContact CE2-CD1 3.51Å; F69-F89 HydrophobicContact CE2-CE1 4.26Å; F69-F89 HydrophobicContact CE2-CG 4.23Å; F69-F89 AromaticContact CZ-CD1 3.95Å; F69-F89 HydrophobicContact CZ-CD1 3.95Å; F69-F89 HydrophobicContact CZ-CE1 4.35Å; F69-L92 HydrophobicContact CB-CD2 4.13Å; F69-L92 HydrophobicContact CD1-CD2 4.25Å; F69-L92 HydrophobicContact CD2-CD2 4.37Å; F69-L92 HydrophobicContact CG-CD2 3.96Å; F69-P93 HydrophobicContact CB-CG 4Å; F69-P93 WeakPolarHBondContact O-CG 3.32Å
70	S	91.9	Very high	90.6	Very high	54 Å²	54	37 Å²	37	38%	0.378	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-51.1	-32	-176.8	57.2	0	0	0	0	114.3	D68 L72 Q73	D68-S70 VanDerWaalsContact CG-OG 3.28Å; D68-S70 WeakPolarHBondContact OD1-CB 3.01Å; D68-S70 PolarHBondContact OD1-N 3.16Å; D68-S70 PolarHBondContact OD1-OG 3.11Å; D68-S70 PolarHBondContact OD2-OG 3.38Å; S70-L72 PolarHBondContact O-N 2.81Å; S70-Q73 VanDerWaalsContact O-CB 3.27Å; S70-Q73 WeakPolarHBondContact O-CB 3.17Å; S70-Q73 VanDerWaalsContact O-CG 3.27Å; S70-Q73 WeakPolarHBondContact O-CG 3.49Å; S70-Q73 PolarHBondContact O-N 3.34Å; S70-Q73 VanDerWaalsContact O-N 3.09Å
71	F	91.4	Very high	90.7	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.075	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.2	177.5	64.5	-89.5	0	0	0	114	Y41 M44 K45 D68 F69 Q73 S74	Y41-F71 HydrophobicContact CE2-CE1 4.2Å; M44-F71 HydrophobicContact CG-CE2 4.41Å; M44-F71 HydrophobicContact CG-CZ 4.3Å; K45-F71 HydrophobicContact CB-CD1 4.44Å; K45-F71 HydrophobicContact CB-CE1 3.99Å; K45-F71 HydrophobicContact CB-CE2 4.35Å; K45-F71 HydrophobicContact CB-CZ 3.95Å; K45-F71 HydrophobicContact CD-CD1 3.82Å; K45-F71 HydrophobicContact CD-CE1 3.82Å; K45-F71 HydrophobicContact CG-CD1 3.74Å; K45-F71 HydrophobicContact CG-CD2 4.43Å; K45-F71 HydrophobicContact CG-CE1 3.77Å; K45-F71 HydrophobicContact CG-CE2 4.47Å; K45-F71 HydrophobicContact CG-CG 4.09Å; K45-F71 HydrophobicContact CG-CZ 4.15Å; D68-F71 WeakPolarHBondContact O-CD1 3.38Å; D68-F71 WeakPolarHBondContact O-CE1 3.27Å; F69-F71 HydrophobicContact CD1-CE1 4.17Å; F69-F71 HydrophobicContact CD1-CZ 4.19Å; F69-F71 PolarHBondContact O-N 2.63Å; F71-Q73 PolarHBondContact O-N 2.82Å; F71-S74 PolarHBondContact O-N 3.12Å; F71-S74 PolarHBondContact O-OG 3.21Å
72	L	92.6	Very high	91	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-68.8	-17.3	178.3	-62.4	178.3	0	0	0	113.5	Y48 I60 F69 S70 S74 I75 L92 L94	Y48-L72 HydrophobicContact CD2-CD2 4.31Å; Y48-L72 HydrophobicContact CG-CD2 4.31Å; I60-L72 HydrophobicContact CD1-CD1 3.69Å; F69-L72 HydrophobicContact CB-CD1 4.17Å; F69-L72 HydrophobicContact CD1-CD1 4.09Å; F69-L72 WeakPolarHBondContact O-CB 3.21Å; F69-L72 PolarHBondContact O-N 2.81Å; S70-L72 PolarHBondContact O-N 2.81Å; L72-S74 PolarHBondContact O-N 3.32Å; L72-I75 HydrophobicContact CD2-CD1 3.72Å; L72-I75 WeakPolarHBondContact O-CB 3.49Å; L72-I75 PolarHBondContact O-N 3Å; L72-L92 HydrophobicContact CD1-CD2 3.82Å; L72-L94 HydrophobicContact CB-CD2 3.93Å; L72-L94 HydrophobicContact CB-CG 4.35Å
73	Q	91.6	Very high	91.4	Very high	100 Å²	100	34.1 Å²	34.1	47%	0.467	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-58.9	-17.1	174.5	-68.1	177.5	1.2	0	0	113.3	S70 F71 I75 P93 N96	S70-Q73 VanDerWaalsContact O-CB 3.27Å; S70-Q73 WeakPolarHBondContact O-CB 3.17Å; S70-Q73 VanDerWaalsContact O-CG 3.27Å; S70-Q73 WeakPolarHBondContact O-CG 3.49Å; S70-Q73 PolarHBondContact O-N 3.34Å; S70-Q73 VanDerWaalsContact O-N 3.09Å; F71-Q73 PolarHBondContact O-N 2.82Å; Q73-I75 VanDerWaalsContact C-N 3.34Å; Q73-P93 WeakPolarHBondContact CA-O 3.37Å; Q73-P93 HydrophobicContact CG-CB 3.72Å; Q73-P93 HydrophobicContact CG-CG 4.19Å; Q73-P93 WeakPolarHBondContact CG-O 3.1Å; Q73-P93 PolarHBondContact N-O 2.66Å; Q73-N96 WeakPolarHBondContact O-CB 3.34Å; Q73-N96 PolarHBondContact O-ND2 3.47Å
74	S	92.2	Very high	91.6	Very high	29 Å²	29	34 Å²	34	20%	0.203	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-75.2	-20.6	177.3	55.9	0	0	0	0	113.9	G50 C51 N52 F71 L72	G50-S74 WeakPolarHBondContact CA-OG 3.31Å; G50-S74 PolarHBondContact N-OG 3.13Å; C51-S74 PolarHBondContact N-OG 3.35Å; C51-S74 CarbonylContact O-C 3.16Å; C51-S74 VanDerWaalsContact O-O 3.1Å; C51-S74 PolarHBondContact O-OG 2.89Å; N52-S74 WeakPolarHBondContact CA-O 3.02Å; N52-S74 PolarHBondContact ND2-O 2.76Å; F71-S74 PolarHBondContact O-N 3.12Å; F71-S74 PolarHBondContact O-OG 3.21Å; L72-S74 PolarHBondContact O-N 3.32Å
75	I	93.1	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.			trans	-74.6	135.8	-175.1	-59.1	174	0	0	0	110.7	Y48 C51 V54 L58 L72 Q73 V78 L94 N96 L97	Y48-I75 HydrophobicContact CD1-CD1 4.48Å; C51-I75 VanDerWaalsContact O-CA 3.31Å; C51-I75 WeakPolarHBondContact O-CA 3.42Å; C51-I75 WeakPolarHBondContact O-CG1 3.44Å; C51-I75 PolarHBondContact O-N 3.31Å; V54-I75 HydrophobicContact CG2-CD1 4.07Å; V54-I75 HydrophobicContact CG2-CG1 4.4Å; V54-I75 HydrophobicContact CG2-CG2 4.06Å; L58-I75 HydrophobicContact CD1-CD1 4.27Å; L58-I75 HydrophobicContact CD2-CD1 4.12Å; L72-I75 HydrophobicContact CD2-CD1 3.72Å; L72-I75 WeakPolarHBondContact O-CB 3.49Å; L72-I75 PolarHBondContact O-N 3Å; Q73-I75 VanDerWaalsContact C-N 3.34Å; I75-V78 HydrophobicContact CG2-CG2 4.22Å; I75-L94 HydrophobicContact CB-CD2 4.33Å; I75-L94 HydrophobicContact CD1-CD2 4.27Å; I75-N96 CarbonylContact O-C 3.59Å; I75-N96 VanDerWaalsContact O-C 3.26Å; I75-N96 WeakPolarHBondContact O-CB 3.07Å; I75-L97 HydrophobicContact CG2-CD1 4.35Å; I75-L97 PolarHBondContact O-N 3.42Å
76	K	91.5	Very high	92.1	Very high	83 Å²	83	31.1 Å²	31.1	36%	0.361	16%	0.163	S	C	.	.			trans	-124.3	-29	179.4	-64.3	-177.1	179.5	-178.5	0	113.7	N52 N96 R98	N52-K76 PolarHBondContact O-N 3.33Å; K76-N96 WeakPolarHBondContact CA-O 3.41Å; K76-R98 PolarHBondContact O-N 3.19Å
77	E	91.9	Very high	92.4	Very high	13 Å²	13	26.2 Å²	26.2	6%	0.061	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.4	-177	-175.5	177.7	119.2	0	0	111	N52 I53 V54 V99 R101 S279	N52-E77 PolarHBondContact O-N 3.19Å; I53-E77 WeakPolarHBondContact CA-O 3.27Å; I53-E77 HydrophobicContact CG1-CB 4.31Å; I53-E77 HydrophobicContact CG2-CB 4.31Å; I53-E77 HydrophobicContact CG2-CG 4.43Å; V54-E77 PolarHBondContact N-O 3.29Å; E77-V99 WeakPolarHBondContact CA-O 3.46Å; E77-V99 HydrophobicContact CG-CB 4.44Å; E77-R101 VanDerWaalsContact CD-NH2 3.26Å; E77-R101 IonicContact OE1-CZ 2.69Å; E77-R101 IonicContact OE1-NE 2.81Å; E77-R101 PolarHBondContact OE1-NE 2.87Å; E77-R101 IonicContact OE1-NH2 3.54Å; E77-R101 PolarHBondContact OE1-NH2 2.91Å; E77-R101 IonicContact OE2-CZ 3.66Å; E77-R101 IonicContact OE2-NE 3.54Å; E77-R101 IonicContact OE2-NH2 2.75Å; E77-R101 PolarHBondContact OE2-NH2 2.79Å; E77-S279 VanDerWaalsContact OE1-CB 3.29Å; E77-S279 WeakPolarHBondContact OE1-CB 3.43Å; E77-S279 PolarHBondContact OE1-OG 3.1Å
78	V	94	Very high	92.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.3	169.7	178.6	0	0	0	0	108.6	V54 L58 I75 V82 L97 V99 I100 R101	V54-V78 HydrophobicContact CB-CB 4.49Å; V54-V78 HydrophobicContact CB-CG1 4.37Å; V54-V78 HydrophobicContact CB-CG2 4.13Å; V54-V78 HydrophobicContact CG2-CG2 4.16Å; L58-V78 HydrophobicContact CB-CG1 4.16Å; L58-V78 HydrophobicContact CB-CG2 4.04Å; L58-V78 HydrophobicContact CD2-CG2 4.06Å; I75-V78 HydrophobicContact CG2-CG2 4.22Å; V78-V82 HydrophobicContact CB-CG2 4.12Å; V78-V82 HydrophobicContact CG1-CG2 4.03Å; V78-V82 HydrophobicContact CG2-CG2 4.04Å; V78-L97 HydrophobicContact CG2-CD1 3.97Å; V78-L97 HydrophobicContact CG2-CD2 4.4Å; V78-V99 PolarHBondContact N-O 2.81Å; V78-V99 VanDerWaalsContact N-O 3.08Å; V78-I100 WeakPolarHBondContact O-CA 3.37Å; V78-R101 PolarHBondContact O-N 3.33Å
79	T	90.9	Very high	92.6	Very high	14 Å²	14	22.5 Å²	22.5	9%	0.086	12%	0.115	C	C	.	.	S	Bend	trans	-84.6	-30.7	-176.1	68.1	0	0	0	0	113.5	I53 V54 M55 G56 G102 N103	I53-T79 HydrophobicContact CG2-CG2 4.3Å; V54-T79 PolarHBondContact O-N 3.46Å; V54-T79 PolarHBondContact O-OG1 3.14Å; M55-T79 WeakPolarHBondContact CA-OG1 3.06Å; M55-T79 HydrophobicContact CG-CG2 4.37Å; G56-T79 PolarHBondContact N-OG1 2.9Å; T79-G102 PolarHBondContact O-N 2.98Å; T79-N103 WeakPolarHBondContact O-CB 3.44Å; T79-N103 VanDerWaalsContact O-CG 3.28Å; T79-N103 PolarHBondContact O-N 3.34Å; T79-N103 PolarHBondContact O-OD1 2.97Å
80	G	91.5	Very high	92.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-89.3	-137.7	172.4	0	0	0	0	0	111.6	G56 N57 I100 G102 N104	G56-G80 WeakPolarHBondContact O-CA 3.33Å; G56-G80 PolarHBondContact O-N 3.4Å; N57-G80 WeakPolarHBondContact OD1-CA 3.02Å; G80-I100 VanDerWaalsContact O-CG2 3.29Å; G80-I100 WeakPolarHBondContact O-CG2 3.33Å; G80-G102 PolarHBondContact O-N 2.73Å; G80-N104 CarbonylContact C-O 3.5Å
81	H	95	Very high	92.4	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.056	13%	0.13	C	C	.	.			trans	-101.4	170	173.1	57.4	-106	0	0	0	112.8	N57 L58 N104 Y106 A111	N57-H81 CarbonylContact C-O 3.58Å; N57-H81 VanDerWaalsContact CA-O 3.29Å; N57-H81 WeakPolarHBondContact CA-O 3.46Å; N57-H81 WeakPolarHBondContact CB-O 3.5Å; N57-H81 PolarHBondContact ND2-CE1 2.8Å; N57-H81 VanDerWaalsContact ND2-CE1 3.29Å; N57-H81 PolarHBondContact ND2-NE2 2.91Å; N57-H81 PolarHBondContact OD1-N 2.94Å; L58-H81 PolarHBondContact N-O 2.04Å; H81-N104 WeakPolarHBondContact CB-O 3.03Å; H81-N104 PolarHBondContact N-O 2.91Å; H81-N104 VanDerWaalsContact N-O 3.16Å; H81-N104 PolarHBondContact ND1-O 2.04Å; H81-Y106 PolarHBondContact ND1-N 2.84Å; H81-A111 CarbonylContact C-O 3.59Å; H81-A111 VanDerWaalsContact CA-O 3.27Å; H81-A111 WeakPolarHBondContact CA-O 3.46Å; H81-A111 WeakPolarHBondContact CB-O 3.44Å
82	V	96.1	Very high	92.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.4	174.1	-177.4	0	0	0	0	109.2	L58 V78 F84 L97 I100 A111 L112 A113	L58-V82 HydrophobicContact CB-CG1 4.47Å; L58-V82 HydrophobicContact CB-CG2 4.29Å; L58-V82 HydrophobicContact CD2-CG1 4.39Å; L58-V82 WeakPolarHBondContact O-CA 3.08Å; V78-V82 HydrophobicContact CB-CG2 4.12Å; V78-V82 HydrophobicContact CG1-CG2 4.03Å; V78-V82 HydrophobicContact CG2-CG2 4.04Å; V82-F84 HydrophobicContact CG1-CD1 4.08Å; V82-F84 HydrophobicContact CG1-CE1 3.37Å; V82-F84 HydrophobicContact CG1-CZ 3.79Å; V82-L97 HydrophobicContact CG2-CD2 4.41Å; V82-I100 HydrophobicContact CB-CD1 4.22Å; V82-I100 HydrophobicContact CG2-CD1 3.61Å; V82-I100 HydrophobicContact CG2-CG1 3.86Å; V82-I100 HydrophobicContact CG2-CG2 4.3Å; V82-A111 PolarHBondContact N-O 2.86Å; V82-L112 HydrophobicContact CB-CD1 3.9Å; V82-L112 HydrophobicContact CG1-CD1 3.96Å; V82-L112 WeakPolarHBondContact O-CA 3.49Å; V82-A113 PolarHBondContact O-N 2.81Å
83	V	95	Very high	92.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.4	-179.8	168	0	0	0	0	110	L58 I60 I61 A85 Y106 A113	L58-V83 PolarHBondContact O-N 3.4Å; I60-V83 PolarHBondContact N-O 3.48Å; I61-V83 HydrophobicContact CG2-CG1 4.41Å; V83-A85 HydrophobicContact CG1-CB 4.12Å; V83-Y106 HydrophobicContact CG2-CD2 3.45Å; V83-Y106 VanDerWaalsContact CG2-CD2 3.45Å; V83-Y106 HydrophobicContact CG2-CE2 4.01Å; V83-Y106 HydrophobicContact CG2-CG 3.85Å; V83-A113 CarbonylContact C-O 3.44Å; V83-A113 VanDerWaalsContact CA-O 3.31Å; V83-A113 WeakPolarHBondContact CA-O 3.35Å; V83-A113 HydrophobicContact CG2-CB 4.21Å
84	F	93.7	Very high	92.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	104.9	167.1	-52.2	-24	0	0	0	108.5	I60 V82 L92 L94 A113 V114 M115 N117 L131	I60-F84 HydrophobicContact CB-CD1 4.16Å; I60-F84 HydrophobicContact CD1-CD1 4.21Å; I60-F84 HydrophobicContact CD1-CE1 3.97Å; I60-F84 HydrophobicContact CG1-CD1 4.46Å; I60-F84 WeakPolarHBondContact O-CA 3.45Å; V82-F84 HydrophobicContact CG1-CD1 4.08Å; V82-F84 HydrophobicContact CG1-CE1 3.37Å; V82-F84 HydrophobicContact CG1-CZ 3.79Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CD1 3.99Å; F84-L92 HydrophobicContact CE1-CD1 3.46Å; F84-L92 VanDerWaalsContact CE1-CD1 3.46Å; F84-L92 HydrophobicContact CE2-CD1 3.81Å; F84-L92 HydrophobicContact CG-CD1 3.94Å; F84-L92 HydrophobicContact CZ-CD1 3.55Å; F84-L94 HydrophobicContact CE1-CD1 3.82Å; F84-L94 HydrophobicContact CZ-CD1 3.56Å; F84-A113 PolarHBondContact N-O 2.83Å; F84-V114 HydrophobicContact CB-CG1 4.23Å; F84-V114 HydrophobicContact CB-CG2 4.32Å; F84-V114 HydrophobicContact CD2-CG1 4.2Å; F84-V114 HydrophobicContact CD2-CG2 3.69Å; F84-V114 HydrophobicContact CE2-CG2 4.33Å; F84-V114 HydrophobicContact CG-CG2 4.27Å; F84-V114 CarbonylContact O-C 2.96Å; F84-V114 WeakPolarHBondContact O-CA 3.25Å; F84-M115 PolarHBondContact O-N 2.86Å; F84-N117 PolarHBondContact O-ND2 3.12Å; F84-N117 PolarHBondContact O-OD1 3.28Å; F84-L131 HydrophobicContact CZ-CD2 4.41Å
85	A	92.9	Very high	92.1	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.8	-178.9	0	0	0	0	0	113.5	I60 I61 L62 V83 N87 M115	I60-A85 PolarHBondContact O-N 3.28Å; I60-A85 VanDerWaalsContact O-N 3.09Å; I61-A85 VanDerWaalsContact CA-O 3.26Å; I61-A85 WeakPolarHBondContact CA-O 3.44Å; I61-A85 HydrophobicContact CG2-CB 3.95Å; L62-A85 PolarHBondContact N-O 2.04Å; V83-A85 HydrophobicContact CG1-CB 4.12Å; A85-N87 VanDerWaalsContact C-N 3.3Å; A85-N87 PolarHBondContact N-ND2 2.95Å; A85-N87 PolarHBondContact O-N 3.21Å; A85-N87 PolarHBondContact O-ND2 3.33Å; A85-M115 WeakPolarHBondContact CA-O 3.44Å; A85-M115 HydrophobicContact CB-CG 3.96Å
86	M	90.8	Very high	92	Very high	89 Å²	89	24.8 Å²	24.8	44%	0.438	13%	0.127	S	C	.	.	S	Bend	trans	59.7	32.1	168.7	-52.3	175	70	0	0	115	L62 M115 L116 N117	L62-M86 HydrophobicContact CD2-CB 3.64Å; L62-M86 HydrophobicContact CD2-CE 3.93Å; L62-M86 HydrophobicContact CD2-SD 4.19Å; M86-M115 PolarHBondContact N-O 3.34Å; M86-M115 VanDerWaalsContact N-O 3.08Å; M86-L116 WeakPolarHBondContact CA-O 3.36Å; M86-L116 HydrophobicContact CG-CB 4.14Å; M86-L116 HydrophobicContact CG-CD1 4.43Å; M86-N117 PolarHBondContact N-OD1 2.92Å
87	N	91.7	Very high	92.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.			trans	-95.7	153.6	-179.6	-55.8	-73	0	0	0	113.5	I60 I61 L62 M63 A85 F89 N117 Y118	I60-N87 PolarHBondContact O-ND2 2.97Å; I61-N87 VanDerWaalsContact C-OD1 3.26Å; I61-N87 WeakPolarHBondContact CA-OD1 3.32Å; L62-N87 PolarHBondContact N-OD1 3.44Å; M63-N87 HydrophobicContact CB-CB 4.27Å; M63-N87 WeakPolarHBondContact CB-OD1 3.08Å; M63-N87 WeakPolarHBondContact CG-OD1 3.06Å; M63-N87 PolarHBondContact N-OD1 3.19Å; A85-N87 VanDerWaalsContact C-N 3.3Å; A85-N87 PolarHBondContact N-ND2 2.95Å; A85-N87 PolarHBondContact O-N 3.21Å; A85-N87 PolarHBondContact O-ND2 3.33Å; N87-F89 HydrophobicContact CB-CD1 3.89Å; N87-F89 HydrophobicContact CB-CD2 4.44Å; N87-F89 HydrophobicContact CB-CE1 3.41Å; N87-F89 VanDerWaalsContact CB-CE1 3.41Å; N87-F89 HydrophobicContact CB-CE2 3.97Å; N87-F89 HydrophobicContact CB-CG 4.38Å; N87-F89 HydrophobicContact CB-CZ 3.42Å; N87-F89 VanDerWaalsContact CB-CZ 3.42Å; N87-F89 VanDerWaalsContact CG-CE1 3.48Å; N87-F89 VanDerWaalsContact CG-CZ 3.5Å; N87-N117 WeakPolarHBondContact CB-OD1 3.49Å; N87-N117 PolarHBondContact N-OD1 3.05Å; N87-N117 VanDerWaalsContact N-OD1 3.13Å; N87-N117 PolarHBondContact ND2-OD1 2.66Å; N87-N117 CarbonylContact O-C 3.18Å; N87-N117 WeakPolarHBondContact O-CA 3.48Å; N87-Y118 PolarHBondContact O-N 3.03Å
88	E	92.8	Very high	92.1	Very high	41 Å²	41	23 Å²	23	19%	0.192	12%	0.117	C	C	.	.			trans	-102	-12.2	179.6	-55.3	-176.1	155.4	0	0	114.7	M63 H65 Q119 H124 G125	M63-E88 PolarHBondContact O-N 3.06Å; H65-E88 HydrophobicContact CB-CB 3.88Å; H65-E88 IonicContact CE1-OE2 3.8Å; H65-E88 IonicContact CG-OE2 3.77Å; H65-E88 PolarHBondContact N-OE2 2.8Å; H65-E88 IonicContact ND1-OE2 2.83Å; H65-E88 PolarHBondContact ND1-OE2 2.7Å; E88-Q119 HydrophobicContact CG-CB 4.21Å; E88-Q119 PolarHBondContact OE1-NE2 2.93Å; E88-H124 HydrophobicContact CB-CB 4.42Å; E88-H124 CarbonylContact O-C 3.48Å; E88-G125 WeakPolarHBondContact O-CA 3.32Å; E88-G125 PolarHBondContact O-N 3.49Å
89	F	91.8	Very high	92.1	Very high	7 Å²	7	23 Å²	23	3%	0.031	12%	0.117	C	C	.	.			trans	-65.4	154.3	-177.7	52.2	-117.4	0	0	0	112.6	I60 M63 F69 N87 L92 G125 L126	I60-F89 HydrophobicContact CG2-CE1 3.78Å; I60-F89 HydrophobicContact CG2-CZ 3.99Å; M63-F89 HydrophobicContact CB-CD1 3.62Å; M63-F89 HydrophobicContact CB-CE1 3.56Å; M63-F89 HydrophobicContact CG-CD1 4.4Å; M63-F89 HydrophobicContact CG-CE1 3.97Å; F69-F89 HydrophobicContact CD2-CD1 4.09Å; F69-F89 HydrophobicContact CE2-CB 4.27Å; F69-F89 AromaticContact CE2-CD1 3.51Å; F69-F89 HydrophobicContact CE2-CD1 3.51Å; F69-F89 HydrophobicContact CE2-CE1 4.26Å; F69-F89 HydrophobicContact CE2-CG 4.23Å; F69-F89 AromaticContact CZ-CD1 3.95Å; F69-F89 HydrophobicContact CZ-CD1 3.95Å; F69-F89 HydrophobicContact CZ-CE1 4.35Å; N87-F89 HydrophobicContact CB-CD1 3.89Å; N87-F89 HydrophobicContact CB-CD2 4.44Å; N87-F89 HydrophobicContact CB-CE1 3.41Å; N87-F89 VanDerWaalsContact CB-CE1 3.41Å; N87-F89 HydrophobicContact CB-CE2 3.97Å; N87-F89 HydrophobicContact CB-CG 4.38Å; N87-F89 HydrophobicContact CB-CZ 3.42Å; N87-F89 VanDerWaalsContact CB-CZ 3.42Å; N87-F89 VanDerWaalsContact CG-CE1 3.48Å; N87-F89 VanDerWaalsContact CG-CZ 3.5Å; F89-L92 HydrophobicContact CD1-CD2 4.46Å; F89-L92 HydrophobicContact CD2-CG 4.13Å; F89-L92 HydrophobicContact CE1-CD1 4.46Å; F89-L92 HydrophobicContact CE1-CD2 3.94Å; F89-L92 HydrophobicContact CE1-CG 4.21Å; F89-L92 HydrophobicContact CE2-CD1 3.77Å; F89-L92 HydrophobicContact CE2-CD2 4.13Å; F89-L92 HydrophobicContact CE2-CG 3.51Å; F89-L92 HydrophobicContact CZ-CD1 3.56Å; F89-L92 HydrophobicContact CZ-CD2 3.8Å; F89-L92 HydrophobicContact CZ-CG 3.56Å; F89-G125 CarbonylContact O-C 3.57Å; F89-L126 HydrophobicContact CD2-CD1 3.96Å; F89-L126 HydrophobicContact CE2-CD1 3.84Å; F89-L126 VanDerWaalsContact O-CA 3.23Å; F89-L126 WeakPolarHBondContact O-CA 3.29Å; F89-L126 PolarHBondContact O-N 2.69Å
90	S	90.4	Very high	92.3	Very high	68 Å²	68	22.4 Å²	22.4	48%	0.476	11%	0.113	S	C	.	.	S	Bend	trans	-82.6	-30.1	-179.3	54.1	0	0	0	0	114.7	G125 Q127 E128	S90-G125 WeakPolarHBondContact CA-O 3.45Å; S90-Q127 PolarHBondContact O-N 3.12Å; S90-E128 PolarHBondContact O-N 2.61Å
91	R	90.2	Very high	92.4	Very high	67 Å²	67	23.2 Å²	23.2	25%	0.253	12%	0.116	S	C	.	.	B	Isolated β-bridge	trans	-157.5	140.3	-178.5	-172.6	-179.2	-165.6	-78.5	10.1	110.6	D95 E128	R91-D95 IonicContact CZ-OD1 2.72Å; R91-D95 IonicContact CZ-OD2 2.83Å; R91-D95 IonicContact NH1-OD1 2.8Å; R91-D95 PolarHBondContact NH1-OD1 3.27Å; R91-D95 IonicContact NH1-OD2 3.84Å; R91-D95 PolarHBondContact NH1-OD2 2.89Å; R91-D95 IonicContact NH2-OD1 2.78Å; R91-D95 PolarHBondContact NH2-OD1 2.81Å; R91-D95 IonicContact NH2-OD2 3.18Å; R91-E128 WeakPolarHBondContact CA-O 3.46Å; R91-E128 HydrophobicContact CB-CB 4.32Å; R91-E128 WeakPolarHBondContact CD-OE2 3.47Å; R91-E128 HydrophobicContact CG-CB 3.88Å; R91-E128 IonicContact CZ-OE2 3.53Å; R91-E128 IonicContact NE-OE2 2.72Å; R91-E128 PolarHBondContact NE-OE2 2.84Å
92	L	88.6	Confident	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.			trans	-91.7	139.2	165.6	-79.2	166.5	0	0	0	110.5	I60 F69 L72 F84 F89 L94 G130	I60-L92 HydrophobicContact CD1-CD1 3.77Å; I60-L92 HydrophobicContact CD1-CD2 4.07Å; F69-L92 HydrophobicContact CB-CD2 4.13Å; F69-L92 HydrophobicContact CD1-CD2 4.25Å; F69-L92 HydrophobicContact CD2-CD2 4.37Å; F69-L92 HydrophobicContact CG-CD2 3.96Å; L72-L92 HydrophobicContact CD1-CD2 3.82Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CD1 3.99Å; F84-L92 HydrophobicContact CE1-CD1 3.46Å; F84-L92 VanDerWaalsContact CE1-CD1 3.46Å; F84-L92 HydrophobicContact CE2-CD1 3.81Å; F84-L92 HydrophobicContact CG-CD1 3.94Å; F84-L92 HydrophobicContact CZ-CD1 3.55Å; F89-L92 HydrophobicContact CD1-CD2 4.46Å; F89-L92 HydrophobicContact CD2-CG 4.13Å; F89-L92 HydrophobicContact CE1-CD1 4.46Å; F89-L92 HydrophobicContact CE1-CD2 3.94Å; F89-L92 HydrophobicContact CE1-CG 4.21Å; F89-L92 HydrophobicContact CE2-CD1 3.77Å; F89-L92 HydrophobicContact CE2-CD2 4.13Å; F89-L92 HydrophobicContact CE2-CG 3.51Å; F89-L92 HydrophobicContact CZ-CD1 3.56Å; F89-L92 HydrophobicContact CZ-CD2 3.8Å; F89-L92 HydrophobicContact CZ-CG 3.56Å; L92-L94 HydrophobicContact CB-CD1 4.16Å; L92-L94 HydrophobicContact CB-CG 4.38Å; L92-L94 HydrophobicContact CD1-CD1 4.09Å; L92-L94 PolarHBondContact O-N 3.45Å; L92-L94 VanDerWaalsContact O-N 3.12Å; L92-G130 WeakPolarHBondContact O-CA 3.04Å
93	P	89.9	Confident	91.9	Very high	21 Å²	21	27.7 Å²	27.7	14%	0.136	14%	0.141	C	C	.	.			trans	-89.8	58.9	177.3	38.4	-36.1	0	0	0	110.4	F69 Q73 D95	F69-P93 HydrophobicContact CB-CG 4Å; F69-P93 WeakPolarHBondContact O-CG 3.32Å; Q73-P93 WeakPolarHBondContact CA-O 3.37Å; Q73-P93 HydrophobicContact CG-CB 3.72Å; Q73-P93 HydrophobicContact CG-CG 4.19Å; Q73-P93 WeakPolarHBondContact CG-O 3.1Å; Q73-P93 PolarHBondContact N-O 2.66Å; P93-D95 VanDerWaalsContact C-N 3.26Å; P93-D95 PolarHBondContact O-N 2.66Å
94	L	92.8	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.			trans	-93.6	25	178.7	-80.3	166.6	0	0	0	112.3	L58 I60 L72 I75 F84 L92 N96 L97 G130 L131	L58-L94 HydrophobicContact CD2-CD1 4.27Å; L58-L94 HydrophobicContact CD2-CD2 4.13Å; I60-L94 HydrophobicContact CD1-CD1 4.38Å; L72-L94 HydrophobicContact CB-CD2 3.93Å; L72-L94 HydrophobicContact CB-CG 4.35Å; I75-L94 HydrophobicContact CB-CD2 4.33Å; I75-L94 HydrophobicContact CD1-CD2 4.27Å; F84-L94 HydrophobicContact CE1-CD1 3.82Å; F84-L94 HydrophobicContact CZ-CD1 3.56Å; L92-L94 HydrophobicContact CB-CD1 4.16Å; L92-L94 HydrophobicContact CB-CG 4.38Å; L92-L94 HydrophobicContact CD1-CD1 4.09Å; L92-L94 PolarHBondContact O-N 3.45Å; L92-L94 VanDerWaalsContact O-N 3.12Å; L94-N96 PolarHBondContact O-N 3.07Å; L94-L97 WeakPolarHBondContact O-CB 3.02Å; L94-L97 PolarHBondContact O-N 2.83Å; L94-G130 CarbonylContact C-O 3.51Å; L94-L131 HydrophobicContact CB-CD2 3.86Å; L94-L131 HydrophobicContact CD1-CD2 4.34Å
95	D	89.8	Confident	91.6	Very high	33 Å²	33	33 Å²	33	18%	0.176	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.7	-171	-66.1	-87.9	0	0	0	114.3	R91 P93 G130 T132 N133	R91-D95 IonicContact CZ-OD1 2.72Å; R91-D95 IonicContact CZ-OD2 2.83Å; R91-D95 IonicContact NH1-OD1 2.8Å; R91-D95 PolarHBondContact NH1-OD1 3.27Å; R91-D95 IonicContact NH1-OD2 3.84Å; R91-D95 PolarHBondContact NH1-OD2 2.89Å; R91-D95 IonicContact NH2-OD1 2.78Å; R91-D95 PolarHBondContact NH2-OD1 2.81Å; R91-D95 IonicContact NH2-OD2 3.18Å; P93-D95 VanDerWaalsContact C-N 3.26Å; P93-D95 PolarHBondContact O-N 2.66Å; D95-G130 WeakPolarHBondContact CA-O 3.41Å; D95-G130 PolarHBondContact N-O 3.1Å; D95-G130 VanDerWaalsContact N-O 3.08Å; D95-T132 WeakPolarHBondContact CA-OG1 3.04Å; D95-T132 VanDerWaalsContact CB-OG1 3.23Å; D95-T132 WeakPolarHBondContact CB-OG1 3.44Å; D95-T132 PolarHBondContact O-OG1 2.91Å; D95-T132 VanDerWaalsContact OD1-CG2 3.24Å; D95-T132 WeakPolarHBondContact OD1-CG2 3.34Å; D95-T132 PolarHBondContact OD1-OG1 3.01Å; D95-N133 VanDerWaalsContact O-CB 3.3Å; D95-N133 WeakPolarHBondContact O-CB 3.44Å; D95-N133 PolarHBondContact O-N 3.02Å; D95-N133 PolarHBondContact O-ND2 2.8Å
96	N	91.4	Very high	91.6	Very high	68 Å²	68	34.2 Å²	34.2	36%	0.364	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.7	177.7	-74.8	-50.2	0	0	0	115	Q73 I75 K76 L94 R98	Q73-N96 WeakPolarHBondContact O-CB 3.34Å; Q73-N96 PolarHBondContact O-ND2 3.47Å; I75-N96 CarbonylContact O-C 3.59Å; I75-N96 VanDerWaalsContact O-C 3.26Å; I75-N96 WeakPolarHBondContact O-CB 3.07Å; K76-N96 WeakPolarHBondContact CA-O 3.41Å; L94-N96 PolarHBondContact O-N 3.07Å; N96-R98 WeakPolarHBondContact O-CG 3.44Å; N96-R98 PolarHBondContact O-N 3.31Å
97	L	93.9	Very high	91.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.			trans	-67.5	117.4	177.4	176.9	56	0	0	0	109.7	I75 V78 V82 L94 V99 I100 L131 N133 L134	I75-L97 HydrophobicContact CG2-CD1 4.35Å; I75-L97 PolarHBondContact O-N 3.42Å; V78-L97 HydrophobicContact CG2-CD1 3.97Å; V78-L97 HydrophobicContact CG2-CD2 4.4Å; V82-L97 HydrophobicContact CG2-CD2 4.41Å; L94-L97 WeakPolarHBondContact O-CB 3.02Å; L94-L97 PolarHBondContact O-N 2.83Å; L97-V99 WeakPolarHBondContact CD1-O 3.41Å; L97-I100 HydrophobicContact CD2-CG1 4.31Å; L97-L131 HydrophobicContact CD2-CD2 4.02Å; L97-N133 CarbonylContact O-C 3.59Å; L97-L134 VanDerWaalsContact O-CA 3.27Å; L97-L134 WeakPolarHBondContact O-CA 3.5Å; L97-L134 PolarHBondContact O-N 3.47Å; L97-L134 VanDerWaalsContact O-N 3.11Å
98	R	91.8	Very high	91.4	Very high	60 Å²	60	41.8 Å²	41.8	23%	0.226	21%	0.212	C	C	.	.			trans	-106.5	-35.4	-177.2	-62	-159.3	171.4	-126.8	-12.3	114.1	K76 N96 N133 T135 E136 F239	K76-R98 PolarHBondContact O-N 3.19Å; N96-R98 WeakPolarHBondContact O-CG 3.44Å; N96-R98 PolarHBondContact O-N 3.31Å; R98-N133 HydrophobicContact CG-CB 4.07Å; R98-N133 PolarHBondContact NH2-OD1 2.97Å; R98-T135 PolarHBondContact O-N 3.09Å; R98-T135 PolarHBondContact O-OG1 3.45Å; R98-E136 PolarHBondContact O-N 3.4Å; R98-E136 VanDerWaalsContact O-N 3.15Å; R98-F239 VanDerWaalsContact NH1-CE2 3.26Å
99	V	93.4	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.4	-173.6	-176.7	0	0	0	0	111.3	E77 V78 L97 R101 E136 L138 A227 A240	E77-V99 WeakPolarHBondContact CA-O 3.46Å; E77-V99 HydrophobicContact CG-CB 4.44Å; V78-V99 PolarHBondContact N-O 2.81Å; V78-V99 VanDerWaalsContact N-O 3.08Å; L97-V99 WeakPolarHBondContact CD1-O 3.41Å; V99-R101 HydrophobicContact CG1-CG 4.14Å; V99-E136 WeakPolarHBondContact CA-O 3.29Å; V99-E136 HydrophobicContact CB-CB 4.38Å; V99-E136 HydrophobicContact CG1-CB 4.14Å; V99-E136 HydrophobicContact CG1-CG 4.3Å; V99-E136 HydrophobicContact CG2-CB 3.96Å; V99-L138 HydrophobicContact CG1-CD1 4.28Å; V99-L138 HydrophobicContact CG1-CG 4.34Å; V99-A227 HydrophobicContact CG2-CB 4.27Å; V99-A240 HydrophobicContact CG2-CB 3.54Å
100	I	95.9	Very high	91.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.4	161.2	-55.5	167.8	0	0	0	106.6	V78 G80 V82 L97 A111 L112 L134 E136 I137 L138	V78-I100 WeakPolarHBondContact O-CA 3.37Å; G80-I100 VanDerWaalsContact O-CG2 3.29Å; G80-I100 WeakPolarHBondContact O-CG2 3.33Å; V82-I100 HydrophobicContact CB-CD1 4.22Å; V82-I100 HydrophobicContact CG2-CD1 3.61Å; V82-I100 HydrophobicContact CG2-CG1 3.86Å; V82-I100 HydrophobicContact CG2-CG2 4.3Å; L97-I100 HydrophobicContact CD2-CG1 4.31Å; I100-A111 HydrophobicContact CG2-CB 4.1Å; I100-L112 HydrophobicContact CD1-CB 4.38Å; I100-L134 HydrophobicContact CD1-CD1 4.16Å; I100-L134 HydrophobicContact CD1-CD2 4.07Å; I100-L134 HydrophobicContact CG1-CD1 4.07Å; I100-E136 PolarHBondContact N-O 2.89Å; I100-I137 HydrophobicContact CB-CG1 4.22Å; I100-I137 HydrophobicContact CD1-CG1 4.3Å; I100-I137 WeakPolarHBondContact O-CA 3.21Å; I100-L138 PolarHBondContact O-N 3.46Å
101	R	92.9	Very high	91.9	Very high	17 Å²	17	40.9 Å²	40.9	6%	0.064	20%	0.197	C	C	.	.			trans	-85.6	-32	-174.9	-56.2	-168.7	171.7	-91.6	-10.7	113.9	E77 V78 V99 N103 L138 E139 C241 K242	E77-R101 VanDerWaalsContact CD-NH2 3.26Å; E77-R101 IonicContact OE1-CZ 2.69Å; E77-R101 IonicContact OE1-NE 2.81Å; E77-R101 PolarHBondContact OE1-NE 2.87Å; E77-R101 IonicContact OE1-NH2 3.54Å; E77-R101 PolarHBondContact OE1-NH2 2.91Å; E77-R101 IonicContact OE2-CZ 3.66Å; E77-R101 IonicContact OE2-NE 3.54Å; E77-R101 IonicContact OE2-NH2 2.75Å; E77-R101 PolarHBondContact OE2-NH2 2.79Å; V78-R101 PolarHBondContact O-N 3.33Å; V99-R101 HydrophobicContact CG1-CG 4.14Å; R101-N103 WeakPolarHBondContact CB-OD1 3.37Å; R101-L138 HydrophobicContact CB-CD1 4.26Å; R101-L138 HydrophobicContact CG-CD1 4.04Å; R101-E139 PolarHBondContact O-N 3.02Å; R101-C241 PolarHBondContact NH1-O 3.01Å; R101-C241 PolarHBondContact NH2-O 3.44Å; R101-K242 PolarHBondContact NH1-O 2.67Å
102	G	92	Very high	92.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	19%	0.185	C	C	.	.			trans	79.7	14.5	179	0	0	0	0	0	115.1	T79 G80 N104 L105	T79-G102 PolarHBondContact O-N 2.98Å; G80-G102 PolarHBondContact O-N 2.73Å; G102-N104 CarbonylContact O-C 3.53Å; G102-N104 PolarHBondContact O-N 3.37Å; G102-L105 VanDerWaalsContact O-CD2 3.24Å; G102-L105 WeakPolarHBondContact O-CD2 3.3Å
103	N	89	Confident	92.5	Very high	106 Å²	106	37.7 Å²	37.7	57%	0.567	19%	0.185	S	C	*	.	S	Bend	trans	-58.1	-20	-178.7	-61.6	28	0	0	0	113.9	T79 R101	T79-N103 WeakPolarHBondContact O-CB 3.44Å; T79-N103 VanDerWaalsContact O-CG 3.28Å; T79-N103 PolarHBondContact O-N 3.34Å; T79-N103 PolarHBondContact O-OD1 2.97Å; R101-N103 WeakPolarHBondContact CB-OD1 3.37Å
104	N	89.4	Confident	92.8	Very high	76 Å²	76	36.7 Å²	36.7	41%	0.406	18%	0.178	S	C	.	.	S	Bend	trans	-132.3	133.6	164.3	-60.8	-46.3	0	0	0	106.8	G80 H81 G102	G80-N104 CarbonylContact C-O 3.5Å; H81-N104 WeakPolarHBondContact CB-O 3.03Å; H81-N104 PolarHBondContact N-O 2.91Å; H81-N104 VanDerWaalsContact N-O 3.16Å; H81-N104 PolarHBondContact ND1-O 2.04Å; G102-N104 CarbonylContact O-C 3.53Å; G102-N104 PolarHBondContact O-N 3.37Å
105	L	92.9	Very high	92.9	Very high	37 Å²	37	37.8 Å²	37.8	19%	0.194	18%	0.183	C	C	.	.			trans	-105.9	151.1	-179.9	-59	-178.6	0	0	0	111.7	G102 A111	G102-L105 VanDerWaalsContact O-CD2 3.24Å; G102-L105 WeakPolarHBondContact O-CD2 3.3Å; L105-A111 HydrophobicContact CD2-CB 4.01Å
106	Y	91.8	Very high	93.1	Very high	27 Å²	27	39.3 Å²	39.3	11%	0.106	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-79.6	132	170.1	-175.2	-94	0	0	0	108.9	H81 V83 D108 R109 Y110 A113 M115	H81-Y106 PolarHBondContact ND1-N 2.84Å; V83-Y106 HydrophobicContact CG2-CD2 3.45Å; V83-Y106 VanDerWaalsContact CG2-CD2 3.45Å; V83-Y106 HydrophobicContact CG2-CE2 4.01Å; V83-Y106 HydrophobicContact CG2-CG 3.85Å; Y106-D108 PolarHBondContact O-N 3.42Å; Y106-D108 VanDerWaalsContact O-N 3.16Å; Y106-R109 PolarHBondContact O-N 3.11Å; Y106-Y110 HydrophobicContact CD1-CD2 4.46Å; Y106-Y110 PolarHBondContact N-O 3.47Å; Y106-Y110 PolarHBondContact O-N 2.87Å; Y106-A113 HydrophobicContact CD1-CB 3.87Å; Y106-A113 HydrophobicContact CE1-CB 4.44Å; Y106-A113 HydrophobicContact CG-CB 4.23Å; Y106-M115 HydrophobicContact CD1-CE 4.47Å; Y106-M115 HydrophobicContact CE1-CE 3.72Å
107	E	90.2	Very high	93.2	Very high	101 Å²	101	36 Å²	36	47%	0.472	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	32	-167.8	-65.6	179.8	-172.1	0	0	113.7	R109	E107-R109 WeakPolarHBondContact O-CG 3.44Å; E107-R109 PolarHBondContact O-N 3.38Å; E107-R109 IonicContact OE2-CZ 3.37Å; E107-R109 IonicContact OE2-NE 3.71Å; E107-R109 IonicContact OE2-NH2 2.83Å; E107-R109 PolarHBondContact OE2-NH2 2.91Å
108	D	89.6	Confident	93	Very high	147 Å²	147	38.9 Å²	38.9	79%	0.786	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	17.1	-174	-57.9	-43.8	0	0	0	114.9	Y106	Y106-D108 PolarHBondContact O-N 3.42Å; Y106-D108 VanDerWaalsContact O-N 3.16Å
109	R	92	Very high	92.9	Very high	98 Å²	98	38.9 Å²	38.9	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-40.7	-174	-69.8	-174.6	-62.5	157.7	-7.7	115.1	Y106 E107 G141 E168	Y106-R109 PolarHBondContact O-N 3.11Å; E107-R109 WeakPolarHBondContact O-CG 3.44Å; E107-R109 PolarHBondContact O-N 3.38Å; E107-R109 IonicContact OE2-CZ 3.37Å; E107-R109 IonicContact OE2-NE 3.71Å; E107-R109 IonicContact OE2-NH2 2.83Å; E107-R109 PolarHBondContact OE2-NH2 2.91Å; R109-G141 PolarHBondContact O-N 3.45Å; R109-E168 WeakPolarHBondContact CD-OE2 3.3Å; R109-E168 IonicContact CZ-OE2 3.37Å; R109-E168 IonicContact NE-OE2 3.85Å; R109-E168 IonicContact NH1-OE1 2.9Å; R109-E168 PolarHBondContact NH1-OE1 3.44Å; R109-E168 IonicContact NH1-OE2 2.67Å; R109-E168 PolarHBondContact NH1-OE2 3.33Å
110	Y	95.1	Very high	92.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.2	-166.2	-52.9	-70.8	0	0	0	113.4	Y106 G141 Q143 E168 M170	Y106-Y110 HydrophobicContact CD1-CD2 4.46Å; Y106-Y110 PolarHBondContact N-O 3.47Å; Y106-Y110 PolarHBondContact O-N 2.87Å; Y110-G141 CarbonylContact C-O 3.59Å; Y110-G141 WeakPolarHBondContact CA-O 3.32Å; Y110-Q143 HydrophobicContact CD1-CB 3.74Å; Y110-Q143 HydrophobicContact CD2-CB 4.05Å; Y110-Q143 HydrophobicContact CE1-CB 3.77Å; Y110-Q143 HydrophobicContact CE1-CG 4.43Å; Y110-Q143 HydrophobicContact CE2-CB 4.07Å; Y110-Q143 HydrophobicContact CE2-CG 4.28Å; Y110-Q143 HydrophobicContact CG-CB 3.86Å; Y110-E168 HydrophobicContact CE1-CB 4.06Å; Y110-E168 HydrophobicContact CE1-CG 4.01Å; Y110-E168 VanDerWaalsContact OH-CD 3.32Å; Y110-E168 PolarHBondContact OH-OE1 2.9Å; Y110-E168 PolarHBondContact OH-OE2 3.24Å; Y110-M170 WeakPolarHBondContact OH-CE 3.29Å
111	A	96.5	Very high	91.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-22.3	170.7	0	0	0	0	0	112.6	H81 V82 I100 L105 I137 E139 G141	H81-A111 CarbonylContact C-O 3.59Å; H81-A111 VanDerWaalsContact CA-O 3.27Å; H81-A111 WeakPolarHBondContact CA-O 3.46Å; H81-A111 WeakPolarHBondContact CB-O 3.44Å; V82-A111 PolarHBondContact N-O 2.86Å; I100-A111 HydrophobicContact CG2-CB 4.1Å; L105-A111 HydrophobicContact CD2-CB 4.01Å; A111-I137 HydrophobicContact CB-CG2 3.65Å; A111-E139 VanDerWaalsContact CB-O 3.22Å; A111-E139 WeakPolarHBondContact CB-O 3.43Å; A111-G141 PolarHBondContact N-O 3.02Å
112	L	96.9	Very high	90.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.2	170.8	175.8	62.4	0	0	0	109.3	V82 I100 V114 L131 I137 G141 V142 Q143 W158	V82-L112 HydrophobicContact CB-CD1 3.9Å; V82-L112 HydrophobicContact CG1-CD1 3.96Å; V82-L112 WeakPolarHBondContact O-CA 3.49Å; I100-L112 HydrophobicContact CD1-CB 4.38Å; L112-V114 HydrophobicContact CD1-CG2 3.92Å; L112-V114 HydrophobicContact CG-CG2 4.19Å; L112-L131 HydrophobicContact CD1-CD1 4.41Å; L112-L131 HydrophobicContact CD2-CD1 3.92Å; L112-I137 HydrophobicContact CB-CD1 4.48Å; L112-G141 PolarHBondContact N-O 2.85Å; L112-V142 HydrophobicContact CB-CG1 4.32Å; L112-V142 HydrophobicContact CB-CG2 4.37Å; L112-V142 HydrophobicContact CD2-CG1 4.12Å; L112-V142 HydrophobicContact CG-CG1 4.34Å; L112-V142 WeakPolarHBondContact O-CA 3.3Å; L112-Q143 PolarHBondContact O-N 3.28Å; L112-W158 HydrophobicContact CD2-CH2 3.79Å; L112-W158 HydrophobicContact CD2-CZ3 3.92Å
113	A	95.9	Very high	89.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.1	176.8	0	0	0	0	0	111	V82 V83 F84 Y106 M115 Q143	V82-A113 PolarHBondContact O-N 2.81Å; V83-A113 CarbonylContact C-O 3.44Å; V83-A113 VanDerWaalsContact CA-O 3.31Å; V83-A113 WeakPolarHBondContact CA-O 3.35Å; V83-A113 HydrophobicContact CG2-CB 4.21Å; F84-A113 PolarHBondContact N-O 2.83Å; Y106-A113 HydrophobicContact CD1-CB 3.87Å; Y106-A113 HydrophobicContact CE1-CB 4.44Å; Y106-A113 HydrophobicContact CG-CB 4.23Å; A113-M115 HydrophobicContact CB-CE 3.91Å; A113-Q143 CarbonylContact C-O 3.41Å; A113-Q143 WeakPolarHBondContact CA-O 3.5Å; A113-Q143 HydrophobicContact CB-CB 4.4Å
114	V	95.9	Very high	89.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	107.9	-174.4	-178.4	0	0	0	0	109.2	F84 L112 L126 L129 Q143 I144 F145 N147 L150	F84-V114 HydrophobicContact CB-CG1 4.23Å; F84-V114 HydrophobicContact CB-CG2 4.32Å; F84-V114 HydrophobicContact CD2-CG1 4.2Å; F84-V114 HydrophobicContact CD2-CG2 3.69Å; F84-V114 HydrophobicContact CE2-CG2 4.33Å; F84-V114 HydrophobicContact CG-CG2 4.27Å; F84-V114 CarbonylContact O-C 2.96Å; F84-V114 WeakPolarHBondContact O-CA 3.25Å; L112-V114 HydrophobicContact CD1-CG2 3.92Å; L112-V114 HydrophobicContact CG-CG2 4.19Å; V114-L126 HydrophobicContact CG1-CD2 3.82Å; V114-L129 HydrophobicContact CG1-CD2 3.9Å; V114-L129 HydrophobicContact CG2-CD2 4.2Å; V114-Q143 PolarHBondContact N-O 2.93Å; V114-I144 HydrophobicContact CB-CG1 4.25Å; V114-I144 HydrophobicContact CB-CG2 4.28Å; V114-I144 HydrophobicContact CG1-CG2 4.45Å; V114-I144 HydrophobicContact CG2-CG1 4.44Å; V114-I144 CarbonylContact O-C 3.13Å; V114-I144 WeakPolarHBondContact O-CA 3.38Å; V114-F145 PolarHBondContact O-N 2.81Å; V114-N147 PolarHBondContact O-ND2 3.4Å; V114-L150 HydrophobicContact CG1-CD2 4.5Å
115	M	94.4	Very high	89.8	Confident	22 Å²	22	58 Å²	58	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.3	-172	67.9	-169.8	79.9	0	0	115.7	F84 A85 M86 Y106 A113 N117 F145	F84-M115 PolarHBondContact O-N 2.86Å; A85-M115 WeakPolarHBondContact CA-O 3.44Å; A85-M115 HydrophobicContact CB-CG 3.96Å; M86-M115 PolarHBondContact N-O 3.34Å; M86-M115 VanDerWaalsContact N-O 3.08Å; Y106-M115 HydrophobicContact CD1-CE 4.47Å; Y106-M115 HydrophobicContact CE1-CE 3.72Å; A113-M115 HydrophobicContact CB-CE 3.91Å; M115-N117 PolarHBondContact N-ND2 3.07Å; M115-N117 PolarHBondContact O-N 2.89Å; M115-N117 PolarHBondContact O-ND2 2.86Å; M115-F145 VanDerWaalsContact CA-O 3.23Å; M115-F145 WeakPolarHBondContact CA-O 3.44Å
116	L	93.3	Very high	89.8	Confident	65 Å²	65	56.3 Å²	56.3	34%	0.34	27%	0.27	S	S	.	.			trans	56.5	24.4	170.3	-57.4	172.9	0	0	0	114.7	M86 Y118 F145 D146 N147	M86-L116 WeakPolarHBondContact CA-O 3.36Å; M86-L116 HydrophobicContact CG-CB 4.14Å; M86-L116 HydrophobicContact CG-CD1 4.43Å; L116-Y118 HydrophobicContact CD2-CE1 4.33Å; L116-Y118 PolarHBondContact O-N 2.87Å; L116-F145 PolarHBondContact N-O 2.86Å; L116-D146 VanDerWaalsContact CA-O 3.31Å; L116-D146 WeakPolarHBondContact CA-O 3.47Å; L116-D146 HydrophobicContact CD2-CB 4.04Å; L116-D146 PolarHBondContact N-O 3.45Å; L116-N147 PolarHBondContact N-OD1 3.41Å
117	N	93.8	Very high	89.8	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.			trans	-80.3	66.9	-174.4	-62.4	-76.3	0	0	0	112.2	F84 M86 N87 M115 G125 L126 N147	F84-N117 PolarHBondContact O-ND2 3.12Å; F84-N117 PolarHBondContact O-OD1 3.28Å; M86-N117 PolarHBondContact N-OD1 2.92Å; N87-N117 WeakPolarHBondContact CB-OD1 3.49Å; N87-N117 PolarHBondContact N-OD1 3.05Å; N87-N117 VanDerWaalsContact N-OD1 3.13Å; N87-N117 PolarHBondContact ND2-OD1 2.66Å; N87-N117 CarbonylContact O-C 3.18Å; N87-N117 WeakPolarHBondContact O-CA 3.48Å; M115-N117 PolarHBondContact N-ND2 3.07Å; M115-N117 PolarHBondContact O-N 2.89Å; M115-N117 PolarHBondContact O-ND2 2.86Å; N117-G125 CarbonylContact O-C 3.59Å; N117-G125 WeakPolarHBondContact O-CA 3.49Å; N117-L126 HydrophobicContact CB-CB 3.58Å; N117-L126 HydrophobicContact CB-CD2 3.9Å; N117-L126 HydrophobicContact CB-CG 4.41Å; N117-L126 PolarHBondContact O-N 2.96Å; N117-N147 WeakPolarHBondContact CB-OD1 3.31Å; N117-N147 PolarHBondContact N-OD1 2.97Å; N117-N147 PolarHBondContact ND2-OD1 2.78Å
118	Y	91.1	Very high	89.8	Confident	59 Å²	59	55.8 Å²	55.8	23%	0.231	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-154.4	150.9	173.1	63.5	-84.3	0	0	0	112.1	N87 L116 D146 K148	N87-Y118 PolarHBondContact O-N 3.03Å; L116-Y118 HydrophobicContact CD2-CE1 4.33Å; L116-Y118 PolarHBondContact O-N 2.87Å; Y118-D146 WeakPolarHBondContact CE1-O 3.28Å; Y118-K148 HydrophobicContact CD1-CB 3.74Å; Y118-K148 HydrophobicContact CD2-CB 4.12Å; Y118-K148 HydrophobicContact CD2-CD 3.69Å; Y118-K148 HydrophobicContact CE1-CB 4.27Å; Y118-K148 HydrophobicContact CE2-CD 4.16Å; Y118-K148 HydrophobicContact CG-CB 3.67Å; Y118-K148 HydrophobicContact CG-CD 4.06Å
119	Q	89.3	Confident	89.8	Confident	60 Å²	60	49 Å²	49	28%	0.28	23%	0.232	S	C	.	.			trans	-75.2	123	170.7	-168.8	174.2	57.6	0	0	109	E88 D121 G122 H124	E88-Q119 HydrophobicContact CG-CB 4.21Å; E88-Q119 PolarHBondContact OE1-NE2 2.93Å; Q119-D121 PolarHBondContact O-N 2.89Å; Q119-G122 PolarHBondContact O-N 3.01Å; Q119-G122 VanDerWaalsContact O-N 3.16Å; Q119-H124 PolarHBondContact N-O 3.08Å
120	K	78.5	Confident	89.6	Confident	167 Å²	167	44.4 Å²	44.4	73%	0.726	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-56	-170.4	-70.4	-174.8	176.9	-177.6	0	112.9
121	D	75.9	Confident	89.5	Confident	166 Å²	166	44.4 Å²	44.4	89%	0.888	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	10.9	-177.2	-48.1	-73.7	0	0	0	112.8	Q119	Q119-D121 PolarHBondContact O-N 2.89Å
122	G	71.2	Confident	89.2	Confident	15 Å²	15	45 Å²	45	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	-110.1	176.9	-169.2	0	0	0	0	0	115.3	Q119 Y149	Q119-G122 PolarHBondContact O-N 3.01Å; Q119-G122 VanDerWaalsContact O-N 3.16Å; G122-Y149 PolarHBondContact O-OH 2.67Å
123	Q	82.6	Confident	89	Confident	169 Å²	169	47 Å²	47	79%	0.79	23%	0.23	S	C	*	.	S	Bend	trans	-98	-0.7	173	-61.1	-171.6	4.3	0	0	113.1
124	H	87.9	Confident	89	Confident	84 Å²	84	47.1 Å²	47.1	39%	0.389	23%	0.23	S	C	.	.			trans	-101.4	145.8	-175.1	-56.8	-62.4	0	0	0	112.2	H65 E88 Q119	H65-H124 HydrophobicContact CB-CB 4.12Å; H65-H124 AromaticContact CE1-CD2 3.95Å; H65-H124 AromaticContact CG-CG 3.92Å; H65-H124 AromaticContact ND1-CD2 3.97Å; E88-H124 HydrophobicContact CB-CB 4.42Å; E88-H124 CarbonylContact O-C 3.48Å; Q119-H124 PolarHBondContact N-O 3.08Å
125	G	90.4	Very high	88.9	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.021	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	158.9	171.5	-178.7	0	0	0	0	0	112.3	E88 F89 S90 N117 Q127	E88-G125 WeakPolarHBondContact O-CA 3.32Å; E88-G125 PolarHBondContact O-N 3.49Å; F89-G125 CarbonylContact O-C 3.57Å; S90-G125 WeakPolarHBondContact CA-O 3.45Å; N117-G125 CarbonylContact O-C 3.59Å; N117-G125 WeakPolarHBondContact O-CA 3.49Å; G125-Q127 PolarHBondContact O-N 2.96Å
126	L	93.9	Very high	88.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.			trans	-71.3	122.8	-168.7	-172.8	58.5	0	0	0	112.3	F89 V114 N117 E128 L129 Y149 L150	F89-L126 HydrophobicContact CD2-CD1 3.96Å; F89-L126 HydrophobicContact CE2-CD1 3.84Å; F89-L126 VanDerWaalsContact O-CA 3.23Å; F89-L126 WeakPolarHBondContact O-CA 3.29Å; F89-L126 PolarHBondContact O-N 2.69Å; V114-L126 HydrophobicContact CG1-CD2 3.82Å; N117-L126 HydrophobicContact CB-CB 3.58Å; N117-L126 HydrophobicContact CB-CD2 3.9Å; N117-L126 HydrophobicContact CB-CG 4.41Å; N117-L126 PolarHBondContact O-N 2.96Å; L126-E128 WeakPolarHBondContact CD1-O 3.45Å; L126-L129 HydrophobicContact CD2-CD2 4.11Å; L126-Y149 CarbonylContact O-C 3.6Å; L126-Y149 WeakPolarHBondContact O-CB 3.12Å; L126-L150 VanDerWaalsContact O-CA 3.29Å; L126-L150 WeakPolarHBondContact O-CA 3.32Å; L126-L150 PolarHBondContact O-N 2.85Å
127	Q	91.5	Very high	89.1	Confident	84 Å²	84	43.5 Å²	43.5	39%	0.393	21%	0.211	S	C	.	.	S	Bend	trans	-107.5	-33.4	-179.9	-57.7	-174.6	21.6	0	0	112.4	S90 G125 S151	S90-Q127 PolarHBondContact O-N 3.12Å; G125-Q127 PolarHBondContact O-N 2.96Å; Q127-S151 PolarHBondContact O-N 3.03Å
128	E	90.4	Very high	89	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.159	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-138.5	138.4	-178.8	-75.4	175.3	-138.6	0	0	111.1	S90 R91 L126 Y152 P192	S90-E128 PolarHBondContact O-N 2.61Å; R91-E128 WeakPolarHBondContact CA-O 3.46Å; R91-E128 HydrophobicContact CB-CB 4.32Å; R91-E128 WeakPolarHBondContact CD-OE2 3.47Å; R91-E128 HydrophobicContact CG-CB 3.88Å; R91-E128 IonicContact CZ-OE2 3.53Å; R91-E128 IonicContact NE-OE2 2.72Å; R91-E128 PolarHBondContact NE-OE2 2.84Å; L126-E128 WeakPolarHBondContact CD1-O 3.45Å; E128-Y152 HydrophobicContact CG-CD2 3.83Å; E128-Y152 HydrophobicContact CG-CE2 3.94Å; E128-P192 WeakPolarHBondContact OE1-CD 3.22Å
129	L	89.8	Confident	89.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.232	C	C	.	.			trans	-71.4	-30.5	176.8	-58.7	179.2	0	0	0	113.1	V114 L126 L131 I144 L150 A153 W158 W190	V114-L129 HydrophobicContact CG1-CD2 3.9Å; V114-L129 HydrophobicContact CG2-CD2 4.2Å; L126-L129 HydrophobicContact CD2-CD2 4.11Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 HydrophobicContact CB-CD1 3.99Å; L129-L131 HydrophobicContact CB-CG 4.02Å; L129-L131 HydrophobicContact CD1-CD1 4.27Å; L129-L131 PolarHBondContact O-N 3.07Å; L129-I144 HydrophobicContact CD1-CD1 4.05Å; L129-L150 HydrophobicContact CD2-CD1 3.99Å; L129-L150 HydrophobicContact CD2-CD2 3.97Å; L129-L150 HydrophobicContact CG-CD1 4.12Å; L129-A153 HydrophobicContact CD1-CB 4.42Å; L129-W158 HydrophobicContact CD1-CH2 4.4Å; L129-W158 HydrophobicContact CD1-CZ2 4.41Å; L129-W190 HydrophobicContact CD1-CE3 4.39Å; L129-W190 HydrophobicContact CD1-CZ3 4.04Å
130	G	87.4	Confident	89.3	Confident	1 Å²	1	45 Å²	45	1%	0.01	22%	0.224	C	C	.	.			trans	66.9	25.2	-178	0	0	0	0	0	115.4	L92 L94 D95 T132	L92-G130 WeakPolarHBondContact O-CA 3.04Å; L94-G130 CarbonylContact C-O 3.51Å; D95-G130 WeakPolarHBondContact CA-O 3.41Å; D95-G130 PolarHBondContact N-O 3.1Å; D95-G130 VanDerWaalsContact N-O 3.08Å; G130-T132 VanDerWaalsContact C-N 3.32Å; G130-T132 PolarHBondContact O-N 3.2Å
131	L	92.9	Very high	90.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.			trans	-93.8	41.2	-177.4	-62.8	172.9	0	0	0	112.3	F84 L94 L97 L112 L129 N133 L134 W190	F84-L131 HydrophobicContact CZ-CD2 4.41Å; L94-L131 HydrophobicContact CB-CD2 3.86Å; L94-L131 HydrophobicContact CD1-CD2 4.34Å; L97-L131 HydrophobicContact CD2-CD2 4.02Å; L112-L131 HydrophobicContact CD1-CD1 4.41Å; L112-L131 HydrophobicContact CD2-CD1 3.92Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 HydrophobicContact CB-CD1 3.99Å; L129-L131 HydrophobicContact CB-CG 4.02Å; L129-L131 HydrophobicContact CD1-CD1 4.27Å; L129-L131 PolarHBondContact O-N 3.07Å; L131-N133 PolarHBondContact O-N 2.9Å; L131-L134 HydrophobicContact CB-CB 3.98Å; L131-L134 HydrophobicContact CB-CD2 4.17Å; L131-L134 HydrophobicContact CD1-CD2 3.92Å; L131-L134 HydrophobicContact CG-CD2 4.47Å; L131-L134 VanDerWaalsContact O-CB 3.25Å; L131-L134 WeakPolarHBondContact O-CB 3.45Å; L131-L134 PolarHBondContact O-N 2.82Å; L131-W190 HydrophobicContact CB-CE3 4.09Å; L131-W190 HydrophobicContact CB-CH2 3.93Å; L131-W190 HydrophobicContact CB-CZ2 4.35Å; L131-W190 HydrophobicContact CB-CZ3 3.8Å; L131-W190 HydrophobicContact CD1-CZ3 4.3Å; L131-W190 VanDerWaalsContact O-CE2 3.23Å; L131-W190 VanDerWaalsContact O-CZ2 3.3Å; L131-W190 WeakPolarHBondContact O-CZ2 3.02Å
132	T	90.4	Very high	91.1	Very high	14 Å²	14	29.2 Å²	29.2	9%	0.086	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.8	-161.2	47.7	0	0	0	0	115.7	D95 G130 W190	D95-T132 WeakPolarHBondContact CA-OG1 3.04Å; D95-T132 VanDerWaalsContact CB-OG1 3.23Å; D95-T132 WeakPolarHBondContact CB-OG1 3.44Å; D95-T132 PolarHBondContact O-OG1 2.91Å; D95-T132 VanDerWaalsContact OD1-CG2 3.24Å; D95-T132 WeakPolarHBondContact OD1-CG2 3.34Å; D95-T132 PolarHBondContact OD1-OG1 3.01Å; G130-T132 VanDerWaalsContact C-N 3.32Å; G130-T132 PolarHBondContact O-N 3.2Å; T132-W190 HydrophobicContact CG2-CB 4.19Å; T132-W190 HydrophobicContact CG2-CG 4.44Å; T132-W190 PolarHBondContact O-NE1 3.17Å
133	N	92.9	Very high	92.3	Very high	42 Å²	42	29.3 Å²	29.3	23%	0.225	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.8	175.4	-69.6	-83.4	0	0	0	114.8	D95 L97 R98 L131 T135	D95-N133 VanDerWaalsContact O-CB 3.3Å; D95-N133 WeakPolarHBondContact O-CB 3.44Å; D95-N133 PolarHBondContact O-N 3.02Å; D95-N133 PolarHBondContact O-ND2 2.8Å; L97-N133 CarbonylContact O-C 3.59Å; R98-N133 HydrophobicContact CG-CB 4.07Å; R98-N133 PolarHBondContact NH2-OD1 2.97Å; L131-N133 PolarHBondContact O-N 2.9Å; N133-T135 PolarHBondContact O-N 3.49Å; N133-T135 VanDerWaalsContact O-N 3.13Å; N133-T135 PolarHBondContact O-OG1 3.5Å
134	L	95.3	Very high	92.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.107	C	C	.	.			trans	-66.7	114.7	179.4	178.6	59.8	0	0	0	109.7	L97 I100 L131 I161 W190	L97-L134 VanDerWaalsContact O-CA 3.27Å; L97-L134 WeakPolarHBondContact O-CA 3.5Å; L97-L134 PolarHBondContact O-N 3.47Å; L97-L134 VanDerWaalsContact O-N 3.11Å; I100-L134 HydrophobicContact CD1-CD1 4.16Å; I100-L134 HydrophobicContact CD1-CD2 4.07Å; I100-L134 HydrophobicContact CG1-CD1 4.07Å; L131-L134 HydrophobicContact CB-CB 3.98Å; L131-L134 HydrophobicContact CB-CD2 4.17Å; L131-L134 HydrophobicContact CD1-CD2 3.92Å; L131-L134 HydrophobicContact CG-CD2 4.47Å; L131-L134 VanDerWaalsContact O-CB 3.25Å; L131-L134 WeakPolarHBondContact O-CB 3.45Å; L131-L134 PolarHBondContact O-N 2.82Å; L134-I161 HydrophobicContact CG-CG2 4.03Å; L134-W190 HydrophobicContact CB-CH2 4.25Å; L134-W190 HydrophobicContact CB-CZ2 4.04Å; L134-W190 HydrophobicContact CD2-CH2 4.2Å
135	T	94.8	Very high	93.2	Very high	3 Å²	3	20 Å²	20	2%	0.018	10%	0.1	C	C	.	.			trans	-131.3	-11.3	-169	34.5	0	0	0	0	112.9	R98 N133 T201 R212 G228	R98-T135 PolarHBondContact O-N 3.09Å; R98-T135 PolarHBondContact O-OG1 3.45Å; N133-T135 PolarHBondContact O-N 3.49Å; N133-T135 VanDerWaalsContact O-N 3.13Å; N133-T135 PolarHBondContact O-OG1 3.5Å; T135-T201 HydrophobicContact CG2-CG2 4.01Å; T135-R212 PolarHBondContact O-NH1 3.41Å; T135-R212 PolarHBondContact O-NH2 3.01Å; T135-R212 VanDerWaalsContact O-NH2 3.11Å; T135-G228 VanDerWaalsContact CB-O 3.31Å; T135-G228 WeakPolarHBondContact CB-O 3.32Å; T135-G228 PolarHBondContact OG1-O 3.03Å
136	E	94.6	Very high	93.3	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.037	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129	175.9	-165.1	82	-111.9	0	0	112.1	R98 V99 I100 L138 I161 R212 A227 G228	R98-E136 PolarHBondContact O-N 3.4Å; R98-E136 VanDerWaalsContact O-N 3.15Å; V99-E136 WeakPolarHBondContact CA-O 3.29Å; V99-E136 HydrophobicContact CB-CB 4.38Å; V99-E136 HydrophobicContact CG1-CB 4.14Å; V99-E136 HydrophobicContact CG1-CG 4.3Å; V99-E136 HydrophobicContact CG2-CB 3.96Å; I100-E136 PolarHBondContact N-O 2.89Å; E136-L138 HydrophobicContact CG-CD2 3.44Å; E136-L138 VanDerWaalsContact CG-CD2 3.44Å; E136-L138 HydrophobicContact CG-CG 3.74Å; E136-I161 CarbonylContact C-O 3.41Å; E136-I161 WeakPolarHBondContact CA-O 3.43Å; E136-R212 IonicContact OE1-CZ 3.61Å; E136-R212 IonicContact OE1-NE 3.67Å; E136-R212 IonicContact OE1-NH2 2.7Å; E136-R212 PolarHBondContact OE1-NH2 2.82Å; E136-R212 IonicContact OE2-CZ 3.14Å; E136-R212 IonicContact OE2-NE 3.15Å; E136-R212 PolarHBondContact OE2-NE 2.84Å; E136-R212 IonicContact OE2-NH2 2.77Å; E136-R212 PolarHBondContact OE2-NH2 3.1Å; E136-A227 HydrophobicContact CG-CB 4.22Å; E136-G228 PolarHBondContact OE2-N 2.86Å
137	I	96.1	Very high	93.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.4	156.2	-68.9	167	0	0	0	106	I100 A111 L112 E139 G140 V142 W158 I161 V162 K163	I100-I137 HydrophobicContact CB-CG1 4.22Å; I100-I137 HydrophobicContact CD1-CG1 4.3Å; I100-I137 WeakPolarHBondContact O-CA 3.21Å; A111-I137 HydrophobicContact CB-CG2 3.65Å; L112-I137 HydrophobicContact CB-CD1 4.48Å; I137-E139 WeakPolarHBondContact CG2-O 3.48Å; I137-G140 WeakPolarHBondContact CG2-O 3.48Å; I137-V142 HydrophobicContact CD1-CG2 3.63Å; I137-W158 HydrophobicContact CD1-CZ3 4.46Å; I137-I161 HydrophobicContact CB-CG2 4.43Å; I137-I161 HydrophobicContact CD1-CG2 3.91Å; I137-I161 HydrophobicContact CG1-CG2 3.87Å; I137-I161 PolarHBondContact N-O 3.47Å; I137-V162 HydrophobicContact CB-CG2 4.29Å; I137-V162 HydrophobicContact CD1-CG2 4.1Å; I137-K163 VanDerWaalsContact O-CB 3.26Å; I137-K163 WeakPolarHBondContact O-CB 3.03Å; I137-K163 PolarHBondContact O-N 3.08Å
138	L	92.3	Very high	93.3	Very high	22 Å²	22	22.3 Å²	22.3	12%	0.115	11%	0.11	C	C	.	.			trans	-74.1	-31.5	-170.4	-71.4	175	0	0	0	113.4	V99 I100 R101 E136 K163	V99-L138 HydrophobicContact CG1-CD1 4.28Å; V99-L138 HydrophobicContact CG1-CG 4.34Å; I100-L138 PolarHBondContact O-N 3.46Å; R101-L138 HydrophobicContact CB-CD1 4.26Å; R101-L138 HydrophobicContact CG-CD1 4.04Å; E136-L138 HydrophobicContact CG-CD2 3.44Å; E136-L138 VanDerWaalsContact CG-CD2 3.44Å; E136-L138 HydrophobicContact CG-CG 3.74Å; L138-K163 HydrophobicContact CD2-CD 3.95Å; L138-K163 WeakPolarHBondContact O-CD 3.48Å; L138-K163 PolarHBondContact O-NZ 3.23Å
139	E	93.4	Very high	93.4	Very high	118 Å²	118	23.5 Å²	23.5	55%	0.551	11%	0.114	S	C	*	.	S	Bend	trans	-152.7	149.8	-177.6	-170.8	163.8	173.2	0	0	108.8	R101 A111 I137	R101-E139 PolarHBondContact O-N 3.02Å; A111-E139 VanDerWaalsContact CB-O 3.22Å; A111-E139 WeakPolarHBondContact CB-O 3.43Å; I137-E139 WeakPolarHBondContact CG2-O 3.48Å
140	G	93.5	Very high	93.6	Very high	12 Å²	12	23.4 Å²	23.4	12%	0.124	11%	0.113	C	C	.	.	S	Bend	trans	86.9	156.5	-177.6	0	0	0	0	0	115.8	I137	I137-G140 WeakPolarHBondContact CG2-O 3.48Å
141	G	95.2	Very high	93.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-170.8	178.8	0	0	0	0	0	114.7	R109 Y110 A111 L112 E168	R109-G141 PolarHBondContact O-N 3.45Å; Y110-G141 CarbonylContact C-O 3.59Å; Y110-G141 WeakPolarHBondContact CA-O 3.32Å; A111-G141 PolarHBondContact N-O 3.02Å; L112-G141 PolarHBondContact N-O 2.85Å; G141-E168 CarbonylContact C-O 3.46Å; G141-E168 VanDerWaalsContact CA-O 3.22Å; G141-E168 WeakPolarHBondContact CA-O 3.4Å
142	V	96.8	Very high	93.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.1	-179.5	-179.5	0	0	0	0	110.9	L112 I137 I144 W158 V162 E168 L169 M170	L112-V142 HydrophobicContact CB-CG1 4.32Å; L112-V142 HydrophobicContact CB-CG2 4.37Å; L112-V142 HydrophobicContact CD2-CG1 4.12Å; L112-V142 HydrophobicContact CG-CG1 4.34Å; L112-V142 WeakPolarHBondContact O-CA 3.3Å; I137-V142 HydrophobicContact CD1-CG2 3.63Å; V142-I144 HydrophobicContact CG1-CD1 3.98Å; V142-I144 HydrophobicContact CG1-CG1 3.93Å; V142-W158 HydrophobicContact CB-CE3 4.42Å; V142-W158 HydrophobicContact CG1-CD2 4.47Å; V142-W158 HydrophobicContact CG1-CE3 4.11Å; V142-W158 HydrophobicContact CG1-CH2 4.07Å; V142-W158 HydrophobicContact CG1-CZ2 4.44Å; V142-W158 HydrophobicContact CG1-CZ3 3.89Å; V142-W158 HydrophobicContact CG2-CE3 3.89Å; V142-W158 HydrophobicContact CG2-CZ3 4.02Å; V142-V162 HydrophobicContact CG2-CG2 3.88Å; V142-E168 PolarHBondContact N-O 2.93Å; V142-L169 HydrophobicContact CB-CD2 3.81Å; V142-L169 HydrophobicContact CG2-CD2 4.07Å; V142-L169 WeakPolarHBondContact O-CA 3.18Å; V142-M170 PolarHBondContact O-N 3.43Å
143	Q	96.2	Very high	93.6	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.079	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.3	175.4	-170.6	-176.8	50.6	0	0	110.1	Y110 L112 A113 V114 F145 M170	Y110-Q143 HydrophobicContact CD1-CB 3.74Å; Y110-Q143 HydrophobicContact CD2-CB 4.05Å; Y110-Q143 HydrophobicContact CE1-CB 3.77Å; Y110-Q143 HydrophobicContact CE1-CG 4.43Å; Y110-Q143 HydrophobicContact CE2-CB 4.07Å; Y110-Q143 HydrophobicContact CE2-CG 4.28Å; Y110-Q143 HydrophobicContact CG-CB 3.86Å; L112-Q143 PolarHBondContact O-N 3.28Å; A113-Q143 CarbonylContact C-O 3.41Å; A113-Q143 WeakPolarHBondContact CA-O 3.5Å; A113-Q143 HydrophobicContact CB-CB 4.4Å; V114-Q143 PolarHBondContact N-O 2.93Å; Q143-F145 HydrophobicContact CG-CB 4.33Å; Q143-M170 CarbonylContact C-O 3.58Å; Q143-M170 HydrophobicContact CG-CB 4.37Å; Q143-M170 HydrophobicContact CG-CG 4.49Å; Q143-M170 HydrophobicContact CG-SD 4.07Å
144	I	95.8	Very high	93.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	92.7	176.4	-54.2	177.7	0	0	0	107.5	V114 L129 V142 L150 A153 W158 M170 I171 Q172 N174	V114-I144 HydrophobicContact CB-CG1 4.25Å; V114-I144 HydrophobicContact CB-CG2 4.28Å; V114-I144 HydrophobicContact CG1-CG2 4.45Å; V114-I144 HydrophobicContact CG2-CG1 4.44Å; V114-I144 CarbonylContact O-C 3.13Å; V114-I144 WeakPolarHBondContact O-CA 3.38Å; L129-I144 HydrophobicContact CD1-CD1 4.05Å; V142-I144 HydrophobicContact CG1-CD1 3.98Å; V142-I144 HydrophobicContact CG1-CG1 3.93Å; I144-L150 HydrophobicContact CG2-CD2 3.45Å; I144-L150 VanDerWaalsContact CG2-CD2 3.45Å; I144-A153 HydrophobicContact CD1-CB 3.87Å; I144-A153 HydrophobicContact CG2-CB 4.03Å; I144-W158 HydrophobicContact CD1-CH2 3.97Å; I144-W158 HydrophobicContact CD1-CZ2 3.52Å; I144-M170 PolarHBondContact N-O 2.97Å; I144-I171 HydrophobicContact CB-CG1 4.24Å; I144-I171 HydrophobicContact CB-CG2 4.34Å; I144-I171 HydrophobicContact CD1-CD1 4.27Å; I144-I171 HydrophobicContact CD1-CG1 4.35Å; I144-I171 HydrophobicContact CG1-CG1 4.45Å; I144-I171 WeakPolarHBondContact O-CA 3.32Å; I144-Q172 PolarHBondContact O-N 3.31Å; I144-N174 PolarHBondContact O-ND2 3.45Å
145	F	93.8	Very high	93.2	Very high	58 Å²	58	26.9 Å²	26.9	25%	0.254	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.9	-164.6	-180	-96.6	0	0	0	112.5	V114 M115 L116 Q143 N147 Q172 K173	V114-F145 PolarHBondContact O-N 2.81Å; M115-F145 VanDerWaalsContact CA-O 3.23Å; M115-F145 WeakPolarHBondContact CA-O 3.44Å; L116-F145 PolarHBondContact N-O 2.86Å; Q143-F145 HydrophobicContact CG-CB 4.33Å; F145-N147 PolarHBondContact N-ND2 2.03Å; F145-N147 PolarHBondContact O-ND2 2.97Å; F145-N147 VanDerWaalsContact O-ND2 3.17Å; F145-Q172 WeakPolarHBondContact CA-O 3.13Å; F145-Q172 HydrophobicContact CD2-CB 4.3Å; F145-K173 HydrophobicContact CE2-CD 3.77Å; F145-K173 HydrophobicContact CE2-CG 4.23Å; F145-K173 HydrophobicContact CZ-CD 3.81Å
146	D	93.1	Very high	93.1	Very high	46 Å²	46	27.1 Å²	27.1	25%	0.246	13%	0.134	C	C	.	.			trans	59.6	50.8	169.9	-150.9	2.4	0	0	0	113.5	L116 Y118 Q172 K173	L116-D146 VanDerWaalsContact CA-O 3.31Å; L116-D146 WeakPolarHBondContact CA-O 3.47Å; L116-D146 HydrophobicContact CD2-CB 4.04Å; L116-D146 PolarHBondContact N-O 3.45Å; Y118-D146 WeakPolarHBondContact CE1-O 3.28Å; D146-Q172 PolarHBondContact N-O 2.57Å; D146-Q172 VanDerWaalsContact N-O 3.09Å; D146-K173 WeakPolarHBondContact CA-O 3.26Å; D146-K173 HydrophobicContact CB-CB 4.3Å
147	N	93.4	Very high	93.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.			trans	-111	86.9	174.9	-55	-86	0	0	0	110.1	V114 L116 N117 F145 Y149 L150 N174 G175	V114-N147 PolarHBondContact O-ND2 3.4Å; L116-N147 PolarHBondContact N-OD1 3.41Å; N117-N147 WeakPolarHBondContact CB-OD1 3.31Å; N117-N147 PolarHBondContact N-OD1 2.97Å; N117-N147 PolarHBondContact ND2-OD1 2.78Å; F145-N147 PolarHBondContact N-ND2 2.03Å; F145-N147 PolarHBondContact O-ND2 2.97Å; F145-N147 VanDerWaalsContact O-ND2 3.17Å; N147-Y149 PolarHBondContact O-N 3.26Å; N147-L150 HydrophobicContact CB-CB 3.71Å; N147-L150 HydrophobicContact CB-CD2 3.91Å; N147-L150 HydrophobicContact CB-CG 4.48Å; N147-L150 PolarHBondContact O-N 2.54Å; N147-N174 WeakPolarHBondContact CB-OD1 3.46Å; N147-N174 PolarHBondContact N-OD1 2.7Å; N147-N174 PolarHBondContact ND2-OD1 3.18Å; N147-N174 CarbonylContact O-C 3.54Å; N147-N174 WeakPolarHBondContact O-CA 3.49Å; N147-G175 PolarHBondContact O-N 2.94Å
148	K	91.3	Very high	92.9	Very high	87 Å²	87	29.4 Å²	29.4	38%	0.378	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.6	-31	-173.6	-173.6	-178.8	177	-163.9	0	117.1	Y118 G175	Y118-K148 HydrophobicContact CD1-CB 3.74Å; Y118-K148 HydrophobicContact CD2-CB 4.12Å; Y118-K148 HydrophobicContact CD2-CD 3.69Å; Y118-K148 HydrophobicContact CE1-CB 4.27Å; Y118-K148 HydrophobicContact CE2-CD 4.16Å; Y118-K148 HydrophobicContact CG-CB 3.67Å; Y118-K148 HydrophobicContact CG-CD 4.06Å; K148-G175 VanDerWaalsContact O-CA 3.28Å; K148-G175 WeakPolarHBondContact O-CA 3.45Å
149	Y	92.1	Very high	92.9	Very high	60 Å²	60	34.2 Å²	34.2	24%	0.235	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-3.2	-174.3	-61.2	-71.1	0	0	0	115.1	G122 L126 N147 S151	G122-Y149 PolarHBondContact O-OH 2.67Å; L126-Y149 CarbonylContact O-C 3.6Å; L126-Y149 WeakPolarHBondContact O-CB 3.12Å; N147-Y149 PolarHBondContact O-N 3.26Å; Y149-S151 PolarHBondContact O-N 3.12Å
150	L	93.8	Very high	92.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.139	C	C	.	.			trans	-80.4	114.7	-171.1	177.5	60.3	0	0	0	111.5	V114 L126 L129 I144 N147 A153 N174 G175	V114-L150 HydrophobicContact CG1-CD2 4.5Å; L126-L150 VanDerWaalsContact O-CA 3.29Å; L126-L150 WeakPolarHBondContact O-CA 3.32Å; L126-L150 PolarHBondContact O-N 2.85Å; L129-L150 HydrophobicContact CD2-CD1 3.99Å; L129-L150 HydrophobicContact CD2-CD2 3.97Å; L129-L150 HydrophobicContact CG-CD1 4.12Å; I144-L150 HydrophobicContact CG2-CD2 3.45Å; I144-L150 VanDerWaalsContact CG2-CD2 3.45Å; N147-L150 HydrophobicContact CB-CB 3.71Å; N147-L150 HydrophobicContact CB-CD2 3.91Å; N147-L150 HydrophobicContact CB-CG 4.48Å; N147-L150 PolarHBondContact O-N 2.54Å; L150-A153 HydrophobicContact CD2-CB 4.05Å; L150-A153 HydrophobicContact CG-CB 4.22Å; L150-N174 HydrophobicContact CB-CB 4.5Å; L150-G175 PolarHBondContact O-N 3.28Å
151	S	91.2	Very high	93	Very high	2 Å²	2	28 Å²	28	1%	0.014	13%	0.133	C	C	.	.			trans	-103.6	-20	-168.3	-74.7	0	0	0	0	117	Q127 Y149 P176 E177 K178	Q127-S151 PolarHBondContact O-N 3.03Å; Y149-S151 PolarHBondContact O-N 3.12Å; S151-P176 WeakPolarHBondContact CA-O 3.42Å; S151-P176 VanDerWaalsContact CB-O 3.26Å; S151-P176 WeakPolarHBondContact CB-O 3.49Å; S151-P176 PolarHBondContact OG-O 3.35Å; S151-E177 WeakPolarHBondContact O-CA 3.48Å; S151-K178 PolarHBondContact O-N 3.47Å; S151-K178 WeakPolarHBondContact OG-CD 3.32Å; S151-K178 WeakPolarHBondContact OG-CE 3.46Å; S151-K178 PolarHBondContact OG-NZ 2.98Å
152	Y	91.4	Very high	93	Very high	20 Å²	20	28.3 Å²	28.3	8%	0.078	14%	0.135	C	C	.	.	S	Bend	trans	-113.9	-8.3	-166.7	-55.1	-81.2	0	0	0	115.3	E128 P154 Q155 K178 P192	E128-Y152 HydrophobicContact CG-CD2 3.83Å; E128-Y152 HydrophobicContact CG-CE2 3.94Å; Y152-P154 VanDerWaalsContact C-CD 3.41Å; Y152-P154 VanDerWaalsContact C-N 3.32Å; Y152-Q155 WeakPolarHBondContact O-CB 3.4Å; Y152-Q155 PolarHBondContact O-N 3.22Å; Y152-K178 HydrophobicContact CD1-CB 4.3Å; Y152-K178 HydrophobicContact CE1-CB 3.56Å; Y152-K178 WeakPolarHBondContact OH-CD 3.35Å; Y152-P192 WeakPolarHBondContact OH-CB 3.48Å
153	A	88.8	Confident	92.6	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.3	-179.4	0	0	0	0	0	115.4	L129 I144 L150 Q155 W158 I171	L129-A153 HydrophobicContact CD1-CB 4.42Å; I144-A153 HydrophobicContact CD1-CB 3.87Å; I144-A153 HydrophobicContact CG2-CB 4.03Å; L150-A153 HydrophobicContact CD2-CB 4.05Å; L150-A153 HydrophobicContact CG-CB 4.22Å; A153-Q155 VanDerWaalsContact C-N 3.35Å; A153-W158 PolarHBondContact O-NE1 3.46Å; A153-W158 VanDerWaalsContact O-NE1 3.09Å; A153-I171 HydrophobicContact CB-CG2 4.46Å
154	P	88.3	Confident	92	Very high	61 Å²	61	36.9 Å²	36.9	40%	0.396	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-70.1	-25.1	171.7	-20.9	34.7	0	0	0	114.5	Y152 V156 I171	Y152-P154 VanDerWaalsContact C-CD 3.41Å; Y152-P154 VanDerWaalsContact C-N 3.32Å; P154-V156 PolarHBondContact O-N 3.25Å; P154-I171 HydrophobicContact CG-CG2 4.42Å
155	Q	90.9	Very high	91.2	Very high	47 Å²	47	40.7 Å²	40.7	22%	0.22	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-76.7	-4.1	-179.3	-58.7	-63.5	0.5	0	0	113.4	Y152 A153 E177 K178 P188 C189	Y152-Q155 WeakPolarHBondContact O-CB 3.4Å; Y152-Q155 PolarHBondContact O-N 3.22Å; A153-Q155 VanDerWaalsContact C-N 3.35Å; Q155-E177 VanDerWaalsContact NE2-CG 3.35Å; Q155-E177 PolarHBondContact NE2-OE1 2.7Å; Q155-K178 PolarHBondContact NE2-O 3.17Å; Q155-K178 VanDerWaalsContact NE2-O 3.09Å; Q155-P188 WeakPolarHBondContact O-CA 3.43Å; Q155-P188 WeakPolarHBondContact O-CB 3.17Å; Q155-C189 PolarHBondContact O-N 3.12Å
156	V	93.2	Very high	90.7	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.048	23%	0.227	C	C	.	.	S	Bend	trans	-90.4	128.4	-177.9	176.2	0	0	0	0	109.9	P154 W158 I161 C189 W190	P154-V156 PolarHBondContact O-N 3.25Å; V156-W158 HydrophobicContact CB-CD2 4.5Å; V156-W158 HydrophobicContact CB-CZ2 4.09Å; V156-W158 HydrophobicContact CG1-CD2 3.97Å; V156-W158 HydrophobicContact CG1-CE3 4.46Å; V156-W158 HydrophobicContact CG1-CG 4.32Å; V156-W158 HydrophobicContact CG1-CH2 4.47Å; V156-W158 HydrophobicContact CG1-CZ2 3.97Å; V156-W158 PolarHBondContact O-N 3.29Å; V156-W158 PolarHBondContact O-NE1 3.39Å; V156-I161 HydrophobicContact CG1-CD1 3.6Å; V156-C189 WeakPolarHBondContact CG2-O 3.49Å; V156-W190 HydrophobicContact CG1-CE3 4.48Å; V156-W190 HydrophobicContact CG1-CH2 3.83Å; V156-W190 HydrophobicContact CG1-CZ2 4.01Å; V156-W190 HydrophobicContact CG1-CZ3 4.07Å; V156-W190 HydrophobicContact CG2-CD2 3.85Å; V156-W190 HydrophobicContact CG2-CE3 3.56Å; V156-W190 HydrophobicContact CG2-CG 4.45Å; V156-W190 HydrophobicContact CG2-CH2 4.39Å; V156-W190 HydrophobicContact CG2-CZ3 3.85Å
157	N	93.9	Very high	90.3	Very high	43 Å²	43	41.3 Å²	41.3	23%	0.23	22%	0.224	C	C	.	.			trans	-77	86.2	171.9	179.7	8.7	0	0	0	110.2	F159 D160 P188 Q198 L200 T203	N157-F159 PolarHBondContact O-N 3.43Å; N157-F159 PolarHBondContact OD1-N 2.92Å; N157-D160 PolarHBondContact O-N 2.89Å; N157-P188 HydrophobicContact CB-CB 4.26Å; N157-P188 HydrophobicContact CB-CG 4.05Å; N157-Q198 PolarHBondContact O-NE2 2.88Å; N157-L200 HydrophobicContact CB-CD2 4.08Å; N157-T203 PolarHBondContact ND2-OG1 3.35Å
158	W	93.7	Very high	90.1	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.045	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-21.8	179.8	-65.1	97.2	0	0	0	113.9	L112 L129 I137 V142 I144 A153 V156 D160 I161 V162 L169 I171 W190	L112-W158 HydrophobicContact CD2-CH2 3.79Å; L112-W158 HydrophobicContact CD2-CZ3 3.92Å; L129-W158 HydrophobicContact CD1-CH2 4.4Å; L129-W158 HydrophobicContact CD1-CZ2 4.41Å; I137-W158 HydrophobicContact CD1-CZ3 4.46Å; V142-W158 HydrophobicContact CB-CE3 4.42Å; V142-W158 HydrophobicContact CG1-CD2 4.47Å; V142-W158 HydrophobicContact CG1-CE3 4.11Å; V142-W158 HydrophobicContact CG1-CH2 4.07Å; V142-W158 HydrophobicContact CG1-CZ2 4.44Å; V142-W158 HydrophobicContact CG1-CZ3 3.89Å; V142-W158 HydrophobicContact CG2-CE3 3.89Å; V142-W158 HydrophobicContact CG2-CZ3 4.02Å; I144-W158 HydrophobicContact CD1-CH2 3.97Å; I144-W158 HydrophobicContact CD1-CZ2 3.52Å; A153-W158 PolarHBondContact O-NE1 3.46Å; A153-W158 VanDerWaalsContact O-NE1 3.09Å; V156-W158 HydrophobicContact CB-CD2 4.5Å; V156-W158 HydrophobicContact CB-CZ2 4.09Å; V156-W158 HydrophobicContact CG1-CD2 3.97Å; V156-W158 HydrophobicContact CG1-CE3 4.46Å; V156-W158 HydrophobicContact CG1-CG 4.32Å; V156-W158 HydrophobicContact CG1-CH2 4.47Å; V156-W158 HydrophobicContact CG1-CZ2 3.97Å; V156-W158 PolarHBondContact O-N 3.29Å; V156-W158 PolarHBondContact O-NE1 3.39Å; W158-D160 VanDerWaalsContact C-N 3.27Å; W158-D160 PolarHBondContact O-N 2.88Å; W158-I161 HydrophobicContact CE3-CD1 3.98Å; W158-I161 HydrophobicContact CZ3-CD1 4.11Å; W158-I161 PolarHBondContact O-N 2.02Å; W158-V162 PolarHBondContact O-N 3.49Å; W158-L169 HydrophobicContact CB-CD1 4.16Å; W158-L169 HydrophobicContact CB-CD2 4.25Å; W158-I171 HydrophobicContact CG-CD1 4.39Å; W158-W190 AromaticContact CH2-CH2 3.91Å; W158-W190 HydrophobicContact CH2-CH2 3.91Å; W158-W190 AromaticContact CH2-CZ3 3.83Å; W158-W190 HydrophobicContact CH2-CZ3 3.83Å; W158-W190 HydrophobicContact CZ2-CH2 4.46Å; W158-W190 HydrophobicContact CZ2-CZ3 4.15Å; W158-W190 HydrophobicContact CZ3-CH2 4.25Å
159	F	91.8	Very high	90.2	Very high	124 Å²	124	44.3 Å²	44.3	54%	0.544	24%	0.241	S	C	.	.	H	α-helix	trans	-69.7	-21.8	176.2	-60.6	-73.3	0	0	0	113.6	N157 L169 K202	N157-F159 PolarHBondContact O-N 3.43Å; N157-F159 PolarHBondContact OD1-N 2.92Å; F159-L169 HydrophobicContact CE1-CD1 4.28Å; F159-L169 HydrophobicContact CZ-CD1 4.47Å; F159-K202 PolarHBondContact O-NZ 2.99Å
160	D	93.5	Very high	90.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-75.4	-40.8	169.6	-161.3	92.9	0	0	0	110.8	N157 W158 L200 T201 K202 T203 R212	N157-D160 PolarHBondContact O-N 2.89Å; W158-D160 VanDerWaalsContact C-N 3.27Å; W158-D160 PolarHBondContact O-N 2.88Å; D160-L200 HydrophobicContact CB-CD2 3.78Å; D160-T201 VanDerWaalsContact CG-N 3.34Å; D160-T201 PolarHBondContact OD1-N 3.37Å; D160-T201 PolarHBondContact OD2-N 3.01Å; D160-T201 PolarHBondContact OD2-OG1 3.24Å; D160-T201 VanDerWaalsContact OD2-OG1 3.06Å; D160-K202 WeakPolarHBondContact O-CD 3.41Å; D160-K202 WeakPolarHBondContact OD1-CA 3.37Å; D160-K202 PolarHBondContact OD1-N 2.65Å; D160-T203 HydrophobicContact CB-CG2 3.98Å; D160-T203 PolarHBondContact OD1-N 3.14Å; D160-T203 PolarHBondContact OD1-OG1 3.17Å; D160-T203 VanDerWaalsContact OD1-OG1 3.04Å; D160-R212 VanDerWaalsContact O-CZ 3.31Å; D160-R212 PolarHBondContact O-NH1 3.45Å; D160-R212 PolarHBondContact O-NH2 2.85Å; D160-R212 IonicContact OD2-NH1 3.62Å; D160-R212 PolarHBondContact OD2-NH1 3.32Å
161	I	95	Very high	90.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76.3	-56.1	-174.8	-55.4	174.7	0	0	0	111.5	L134 E136 I137 V156 W158 K163 W190 R212	L134-I161 HydrophobicContact CG-CG2 4.03Å; E136-I161 CarbonylContact C-O 3.41Å; E136-I161 WeakPolarHBondContact CA-O 3.43Å; I137-I161 HydrophobicContact CB-CG2 4.43Å; I137-I161 HydrophobicContact CD1-CG2 3.91Å; I137-I161 HydrophobicContact CG1-CG2 3.87Å; I137-I161 PolarHBondContact N-O 3.47Å; V156-I161 HydrophobicContact CG1-CD1 3.6Å; W158-I161 HydrophobicContact CE3-CD1 3.98Å; W158-I161 HydrophobicContact CZ3-CD1 4.11Å; W158-I161 PolarHBondContact O-N 2.02Å; I161-K163 PolarHBondContact O-N 2.83Å; I161-W190 HydrophobicContact CD1-CH2 3.56Å; I161-W190 HydrophobicContact CD1-CZ2 3.47Å; I161-W190 VanDerWaalsContact CD1-CZ2 3.47Å; I161-R212 PolarHBondContact O-NH2 3.25Å
162	V	94.3	Very high	90.1	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.036	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-74.3	126.5	-174.8	-172.7	0	0	0	0	109.4	I137 V142 W158 D164 A167 L169 K202	I137-V162 HydrophobicContact CB-CG2 4.29Å; I137-V162 HydrophobicContact CD1-CG2 4.1Å; V142-V162 HydrophobicContact CG2-CG2 3.88Å; W158-V162 PolarHBondContact O-N 3.49Å; V162-D164 WeakPolarHBondContact CG1-O 3.47Å; V162-A167 HydrophobicContact CG1-CB 4.1Å; V162-L169 HydrophobicContact CG2-CD2 4.2Å; V162-K202 PolarHBondContact O-NZ 3.38Å
163	K	88.4	Confident	90	Very high	114 Å²	114	56.5 Å²	56.5	50%	0.496	30%	0.3	S	S	.	.	S	Bend	trans	-63.1	-53.6	-178	173.2	165.2	137.1	-95.4	0	111.4	I137 L138 I161 K202	I137-K163 VanDerWaalsContact O-CB 3.26Å; I137-K163 WeakPolarHBondContact O-CB 3.03Å; I137-K163 PolarHBondContact O-N 3.08Å; L138-K163 HydrophobicContact CD2-CD 3.95Å; L138-K163 WeakPolarHBondContact O-CD 3.48Å; L138-K163 PolarHBondContact O-NZ 3.23Å; I161-K163 PolarHBondContact O-N 2.83Å; K163-K202 PolarHBondContact O-NZ 2.91Å; K163-K202 VanDerWaalsContact O-NZ 3.15Å
164	D	84.9	Confident	90.1	Very high	83 Å²	83	57.9 Å²	57.9	44%	0.444	31%	0.307	S	S	.	.			trans	-84	122.8	178.5	-175.6	-3.5	0	0	0	111.7	V162 S166 A167	V162-D164 WeakPolarHBondContact CG1-O 3.47Å; D164-S166 VanDerWaalsContact CG-OG 3.26Å; D164-S166 PolarHBondContact O-N 3.19Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 2.88Å; D164-S166 PolarHBondContact OD1-OG 3.48Å; D164-S166 PolarHBondContact OD2-OG 3.38Å; D164-S166 VanDerWaalsContact OD2-OG 3.07Å; D164-A167 HydrophobicContact CB-CB 4.49Å
165	A	78.8	Confident	90	Very high	80 Å²	80	55.7 Å²	55.7	66%	0.661	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.4	178	0	0	0	0	0	114.1
166	S	82.7	Confident	89.9	Confident	95 Å²	95	58.2 Å²	58.2	66%	0.664	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.2	176.5	74.4	0	0	0	0	114.5	D164	D164-S166 VanDerWaalsContact CG-OG 3.26Å; D164-S166 PolarHBondContact O-N 3.19Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 2.88Å; D164-S166 PolarHBondContact OD1-OG 3.48Å; D164-S166 PolarHBondContact OD2-OG 3.38Å; D164-S166 VanDerWaalsContact OD2-OG 3.07Å
167	A	86.1	Confident	89.7	Confident	23 Å²	23	63.6 Å²	63.6	19%	0.19	34%	0.341	C	S	.	.	S	Bend	trans	-67.3	148	177.3	0	0	0	0	0	112.5	V162 D164 L169	V162-A167 HydrophobicContact CG1-CB 4.1Å; D164-A167 HydrophobicContact CB-CB 4.49Å; A167-L169 PolarHBondContact O-N 3.08Å
168	E	88.8	Confident	89.5	Confident	80 Å²	80	65.4 Å²	65.4	37%	0.374	35%	0.346	S	S	.	.			trans	-68.1	123.7	-174.8	-169.3	172.3	-178.5	0	0	111.8	R109 Y110 G141 V142 M170	R109-E168 WeakPolarHBondContact CD-OE2 3.3Å; R109-E168 IonicContact CZ-OE2 3.37Å; R109-E168 IonicContact NE-OE2 3.85Å; R109-E168 IonicContact NH1-OE1 2.9Å; R109-E168 PolarHBondContact NH1-OE1 3.44Å; R109-E168 IonicContact NH1-OE2 2.67Å; R109-E168 PolarHBondContact NH1-OE2 3.33Å; Y110-E168 HydrophobicContact CE1-CB 4.06Å; Y110-E168 HydrophobicContact CE1-CG 4.01Å; Y110-E168 VanDerWaalsContact OH-CD 3.32Å; Y110-E168 PolarHBondContact OH-OE1 2.9Å; Y110-E168 PolarHBondContact OH-OE2 3.24Å; G141-E168 CarbonylContact C-O 3.46Å; G141-E168 VanDerWaalsContact CA-O 3.22Å; G141-E168 WeakPolarHBondContact CA-O 3.4Å; V142-E168 PolarHBondContact N-O 2.93Å; E168-M170 WeakPolarHBondContact OE1-CE 3.28Å
169	L	92.2	Very high	89.2	Confident	70 Å²	70	70 Å²	70	37%	0.366	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	100.3	176.2	-65.2	179.7	0	0	0	109.7	V142 W158 F159 V162 A167	V142-L169 HydrophobicContact CB-CD2 3.81Å; V142-L169 HydrophobicContact CG2-CD2 4.07Å; V142-L169 WeakPolarHBondContact O-CA 3.18Å; W158-L169 HydrophobicContact CB-CD1 4.16Å; W158-L169 HydrophobicContact CB-CD2 4.25Å; F159-L169 HydrophobicContact CE1-CD1 4.28Å; F159-L169 HydrophobicContact CZ-CD1 4.47Å; V162-L169 HydrophobicContact CG2-CD2 4.2Å; A167-L169 PolarHBondContact O-N 3.08Å
170	M	92.6	Very high	89.1	Confident	42 Å²	42	65.7 Å²	65.7	21%	0.207	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	92.2	-176.3	-177.5	-175.5	-67	0	0	110.7	Y110 V142 Q143 I144 E168	Y110-M170 WeakPolarHBondContact OH-CE 3.29Å; V142-M170 PolarHBondContact O-N 3.43Å; Q143-M170 CarbonylContact C-O 3.58Å; Q143-M170 HydrophobicContact CG-CB 4.37Å; Q143-M170 HydrophobicContact CG-CG 4.49Å; Q143-M170 HydrophobicContact CG-SD 4.07Å; I144-M170 PolarHBondContact N-O 2.97Å; E168-M170 WeakPolarHBondContact OE1-CE 3.28Å
171	I	92.8	Very high	89	Confident	47 Å²	47	68.1 Å²	68.1	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	98.4	178.8	-54.3	-178.9	0	0	0	109	I144 A153 P154 W158	I144-I171 HydrophobicContact CB-CG1 4.24Å; I144-I171 HydrophobicContact CB-CG2 4.34Å; I144-I171 HydrophobicContact CD1-CD1 4.27Å; I144-I171 HydrophobicContact CD1-CG1 4.35Å; I144-I171 HydrophobicContact CG1-CG1 4.45Å; I144-I171 WeakPolarHBondContact O-CA 3.32Å; A153-I171 HydrophobicContact CB-CG2 4.46Å; P154-I171 HydrophobicContact CG-CG2 4.42Å; W158-I171 HydrophobicContact CG-CD1 4.39Å
172	Q	91.1	Very high	88.6	Confident	112 Å²	112	77 Å²	77	52%	0.523	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.1	-171.1	-61.2	-173.8	8.4	0	0	113.1	I144 F145 D146 N174	I144-Q172 PolarHBondContact O-N 3.31Å; F145-Q172 WeakPolarHBondContact CA-O 3.13Å; F145-Q172 HydrophobicContact CD2-CB 4.3Å; D146-Q172 PolarHBondContact N-O 2.57Å; D146-Q172 VanDerWaalsContact N-O 3.09Å; Q172-N174 PolarHBondContact N-ND2 2.84Å; Q172-N174 PolarHBondContact O-N 3.05Å; Q172-N174 VanDerWaalsContact O-N 3.16Å; Q172-N174 PolarHBondContact O-ND2 3.23Å
173	K	87.9	Confident	88.4	Confident	137 Å²	137	80.1 Å²	80.1	60%	0.596	44%	0.444	S	S	*	.	S	Bend	trans	55.6	26.4	176.8	-52.5	-174.1	-174.7	-179.1	0	115.4	F145 D146	F145-K173 HydrophobicContact CE2-CD 3.77Å; F145-K173 HydrophobicContact CE2-CG 4.23Å; F145-K173 HydrophobicContact CZ-CD 3.81Å; D146-K173 WeakPolarHBondContact CA-O 3.26Å; D146-K173 HydrophobicContact CB-CB 4.3Å
174	N	90.4	Very high	88.2	Confident	32 Å²	32	75.7 Å²	75.7	17%	0.171	43%	0.427	C	S	.	.			trans	-86.1	175.2	177.2	-59.9	-60.1	0	0	0	111.4	I144 N147 L150 Q172	I144-N174 PolarHBondContact O-ND2 3.45Å; N147-N174 WeakPolarHBondContact CB-OD1 3.46Å; N147-N174 PolarHBondContact N-OD1 2.7Å; N147-N174 PolarHBondContact ND2-OD1 3.18Å; N147-N174 CarbonylContact O-C 3.54Å; N147-N174 WeakPolarHBondContact O-CA 3.49Å; L150-N174 HydrophobicContact CB-CB 4.5Å; Q172-N174 PolarHBondContact N-ND2 2.84Å; Q172-N174 PolarHBondContact O-N 3.05Å; Q172-N174 VanDerWaalsContact O-N 3.16Å; Q172-N174 PolarHBondContact O-ND2 3.23Å
175	G	87.7	Confident	88.1	Confident	15 Å²	15	74.1 Å²	74.1	16%	0.155	43%	0.43	C	S	.	.	S	Bend	trans	-62.2	171	177	0	0	0	0	0	113.9	N147 K148 L150 E177	N147-G175 PolarHBondContact O-N 2.94Å; K148-G175 VanDerWaalsContact O-CA 3.28Å; K148-G175 WeakPolarHBondContact O-CA 3.45Å; L150-G175 PolarHBondContact O-N 3.28Å; G175-E177 PolarHBondContact O-N 3.38Å
176	P	88.8	Confident	88.1	Confident	99 Å²	99	79.1 Å²	79.1	64%	0.643	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-61.6	134.4	-178.9	25.9	-34.3	0	0	0	111.2	S151	S151-P176 WeakPolarHBondContact CA-O 3.42Å; S151-P176 VanDerWaalsContact CB-O 3.26Å; S151-P176 WeakPolarHBondContact CB-O 3.49Å; S151-P176 PolarHBondContact OG-O 3.35Å
177	E	88.5	Confident	88.1	Confident	122 Å²	122	75.8 Å²	75.8	57%	0.57	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-61.4	142.2	178	-167.9	178.7	123.4	0	0	111	S151 Q155 G175	S151-E177 WeakPolarHBondContact O-CA 3.48Å; Q155-E177 VanDerWaalsContact NE2-CG 3.35Å; Q155-E177 PolarHBondContact NE2-OE1 2.7Å; G175-E177 PolarHBondContact O-N 3.38Å
178	K	89	Confident	88.4	Confident	80 Å²	80	76 Å²	76	35%	0.348	43%	0.426	S	S	.	.			trans	-124.2	148.3	175.3	-71.7	176.6	-174.5	133.4	0	110.5	S151 Y152 Q155	S151-K178 PolarHBondContact O-N 3.47Å; S151-K178 WeakPolarHBondContact OG-CD 3.32Å; S151-K178 WeakPolarHBondContact OG-CE 3.46Å; S151-K178 PolarHBondContact OG-NZ 2.98Å; Y152-K178 HydrophobicContact CD1-CB 4.3Å; Y152-K178 HydrophobicContact CE1-CB 3.56Å; Y152-K178 WeakPolarHBondContact OH-CD 3.35Å; Q155-K178 PolarHBondContact NE2-O 3.17Å; Q155-K178 VanDerWaalsContact NE2-O 3.09Å
179	P	88.4	Confident	88.6	Confident	110 Å²	110	72.2 Å²	72.2	71%	0.714	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-68.2	152.7	176.3	29.7	-35.5	0	0	0	111.4
180	C	89.3	Confident	88.6	Confident	32 Å²	32	69.1 Å²	69.1	22%	0.216	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-72.1	164.9	171.7	-66.2	0	0	0	0	112.4	C184 C189	C180-C184 HydrophobicContact CB-CB 4.46Å; C180-C189 WeakPolarHBondContact CA-SG 3.45Å; C180-C189 HydrophobicContact CB-CB 3.72Å; C180-C189 WeakPolarHBondContact CB-SG 3.4Å; C180-C189 WeakPolarHBondContact SG-CB 3.29Å; C180-C189 CovalentContact SG-SG 2.03Å; C180-C189 PolarHBondContact SG-SG 2.95Å
181	N	90.8	Very high	88.5	Confident	52 Å²	52	67.1 Å²	67.1	28%	0.278	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-64.9	141.8	174.4	-164.1	-80	0	0	0	111.1	A183 C184 P192	N181-A183 PolarHBondContact O-N 2.93Å; N181-A183 VanDerWaalsContact O-N 3.09Å; N181-A183 VanDerWaalsContact OD1-CB 3.25Å; N181-A183 WeakPolarHBondContact OD1-CB 3.46Å; N181-A183 PolarHBondContact OD1-N 3.21Å; N181-C184 WeakPolarHBondContact O-CB 3.24Å; N181-C184 PolarHBondContact O-N 3.46Å; N181-P192 WeakPolarHBondContact CB-O 3.27Å; N181-P192 PolarHBondContact ND2-O 2.99Å
182	E	87.6	Confident	88.3	Confident	187 Å²	187	67.5 Å²	67.5	87%	0.874	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-55.8	-28.6	177.2	-63.9	-176.8	170.7	0	0	113	C184 G185	E182-C184 PolarHBondContact O-N 3.37Å; E182-G185 PolarHBondContact O-N 2.82Å
183	A	88.8	Confident	88.1	Confident	71 Å²	71	63.2 Å²	63.2	59%	0.587	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-63.2	-20.2	174.6	0	0	0	0	0	114	N181 G185	N181-A183 PolarHBondContact O-N 2.93Å; N181-A183 VanDerWaalsContact O-N 3.09Å; N181-A183 VanDerWaalsContact OD1-CB 3.25Å; N181-A183 WeakPolarHBondContact OD1-CB 3.46Å; N181-A183 PolarHBondContact OD1-N 3.21Å; A183-G185 VanDerWaalsContact C-N 3.3Å
184	C	85.3	Confident	88	Confident	21 Å²	21	60.4 Å²	60.4	14%	0.142	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-81.1	-11.2	172.2	-48.7	0	0	0	0	112.4	C180 N181 E182 G187 C197	C180-C184 HydrophobicContact CB-CB 4.46Å; N181-C184 WeakPolarHBondContact O-CB 3.24Å; N181-C184 PolarHBondContact O-N 3.46Å; E182-C184 PolarHBondContact O-N 3.37Å; C184-G187 WeakPolarHBondContact O-CA 3.4Å; C184-G187 PolarHBondContact O-N 2.98Å; C184-C197 WeakPolarHBondContact CA-SG 3.32Å; C184-C197 HydrophobicContact CB-CB 3.84Å; C184-C197 WeakPolarHBondContact CB-SG 3.26Å; C184-C197 VanDerWaalsContact SG-CA 3.5Å; C184-C197 WeakPolarHBondContact SG-CB 3.1Å; C184-C197 CovalentContact SG-SG 2.04Å; C184-C197 PolarHBondContact SG-SG 2.91Å
185	G	83.3	Confident	87.8	Confident	49 Å²	49	64.7 Å²	64.7	51%	0.505	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-138.6	-167.5	0	0	0	0	0	111.3	E182 A183 G187	E182-G185 PolarHBondContact O-N 2.82Å; A183-G185 VanDerWaalsContact C-N 3.3Å; G185-G187 PolarHBondContact O-N 2.87Å; G185-G187 VanDerWaalsContact O-N 3.09Å
186	N	78.3	Confident	87.9	Confident	186 Å²	186	64.2 Å²	64.2	100%	0.995	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	26	170.7	-60.3	-3.5	0	0	0	112.4
187	G	83.1	Confident	88	Confident	24 Å²	24	61 Å²	61	25%	0.247	37%	0.367	C	S	.	.			trans	-95	149.7	-174.4	0	0	0	0	0	113.4	C184 G185	C184-G187 WeakPolarHBondContact O-CA 3.4Å; C184-G187 PolarHBondContact O-N 2.98Å; G185-G187 PolarHBondContact O-N 2.87Å; G185-G187 VanDerWaalsContact O-N 3.09Å
188	P	92.6	Very high	88.2	Confident	29 Å²	29	55.9 Å²	55.9	19%	0.188	34%	0.343	C	S	.	.			trans	-64.7	155.3	178.6	25.7	-33.2	0	0	0	113	Q155 N157 Q198 L200	Q155-P188 WeakPolarHBondContact O-CA 3.43Å; Q155-P188 WeakPolarHBondContact O-CB 3.17Å; N157-P188 HydrophobicContact CB-CB 4.26Å; N157-P188 HydrophobicContact CB-CG 4.05Å; P188-Q198 HydrophobicContact CB-CB 4.24Å; P188-Q198 HydrophobicContact CG-CB 4.13Å; P188-Q198 PolarHBondContact O-N 3.14Å; P188-L200 HydrophobicContact CG-CD1 4.23Å; P188-L200 HydrophobicContact CG-CD2 4.05Å; P188-L200 HydrophobicContact CG-CG 4.38Å
189	C	93.3	Very high	88.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-149.4	160.6	-177.2	72.4	0	0	0	0	114.4	Q155 V156 C180 S196	Q155-C189 PolarHBondContact O-N 3.12Å; V156-C189 WeakPolarHBondContact CG2-O 3.49Å; C180-C189 WeakPolarHBondContact CA-SG 3.45Å; C180-C189 HydrophobicContact CB-CB 3.72Å; C180-C189 WeakPolarHBondContact CB-SG 3.4Å; C180-C189 WeakPolarHBondContact SG-CB 3.29Å; C180-C189 CovalentContact SG-SG 2.03Å; C180-C189 PolarHBondContact SG-SG 2.95Å; C189-S196 WeakPolarHBondContact CA-O 3.45Å
190	W	91.6	Very high	88.6	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.015	33%	0.325	C	S	.	.	S	Bend	trans	-98.3	-9.2	176.2	-63.6	101.7	0	0	0	114.2	L129 L131 T132 L134 V156 W158 I161 S196	L129-W190 HydrophobicContact CD1-CE3 4.39Å; L129-W190 HydrophobicContact CD1-CZ3 4.04Å; L131-W190 HydrophobicContact CB-CE3 4.09Å; L131-W190 HydrophobicContact CB-CH2 3.93Å; L131-W190 HydrophobicContact CB-CZ2 4.35Å; L131-W190 HydrophobicContact CB-CZ3 3.8Å; L131-W190 HydrophobicContact CD1-CZ3 4.3Å; L131-W190 VanDerWaalsContact O-CE2 3.23Å; L131-W190 VanDerWaalsContact O-CZ2 3.3Å; L131-W190 WeakPolarHBondContact O-CZ2 3.02Å; T132-W190 HydrophobicContact CG2-CB 4.19Å; T132-W190 HydrophobicContact CG2-CG 4.44Å; T132-W190 PolarHBondContact O-NE1 3.17Å; L134-W190 HydrophobicContact CB-CH2 4.25Å; L134-W190 HydrophobicContact CB-CZ2 4.04Å; L134-W190 HydrophobicContact CD2-CH2 4.2Å; V156-W190 HydrophobicContact CG1-CE3 4.48Å; V156-W190 HydrophobicContact CG1-CH2 3.83Å; V156-W190 HydrophobicContact CG1-CZ2 4.01Å; V156-W190 HydrophobicContact CG1-CZ3 4.07Å; V156-W190 HydrophobicContact CG2-CD2 3.85Å; V156-W190 HydrophobicContact CG2-CE3 3.56Å; V156-W190 HydrophobicContact CG2-CG 4.45Å; V156-W190 HydrophobicContact CG2-CH2 4.39Å; V156-W190 HydrophobicContact CG2-CZ3 3.85Å; W158-W190 AromaticContact CH2-CH2 3.91Å; W158-W190 HydrophobicContact CH2-CH2 3.91Å; W158-W190 AromaticContact CH2-CZ3 3.83Å; W158-W190 HydrophobicContact CH2-CZ3 3.83Å; W158-W190 HydrophobicContact CZ2-CH2 4.46Å; W158-W190 HydrophobicContact CZ2-CZ3 4.15Å; W158-W190 HydrophobicContact CZ3-CH2 4.25Å; I161-W190 HydrophobicContact CD1-CH2 3.56Å; I161-W190 HydrophobicContact CD1-CZ2 3.47Å; I161-W190 VanDerWaalsContact CD1-CZ2 3.47Å; W190-S196 PolarHBondContact N-O 3.26Å
191	G	90.6	Very high	88.8	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	178	-178.3	-170.2	0	0	0	0	0	113.7	S196	G191-S196 WeakPolarHBondContact O-CB 3.4Å
192	P	87.8	Confident	88.9	Confident	56 Å²	56	51.8 Å²	51.8	36%	0.364	32%	0.316	S	S	.	.	S	Bend	trans	-82.3	-12.6	-171.4	31.7	-33.1	0	0	0	114.9	E128 Y152 N181	E128-P192 WeakPolarHBondContact OE1-CD 3.22Å; Y152-P192 WeakPolarHBondContact OH-CB 3.48Å; N181-P192 WeakPolarHBondContact CB-O 3.27Å; N181-P192 PolarHBondContact ND2-O 2.99Å
193	G	86.6	Confident	89	Confident	21 Å²	21	46.3 Å²	46.3	22%	0.216	30%	0.296	C	S	.	.	S	Bend	trans	-75.2	149.3	-180	0	0	0	0	0	112.5	N195 S196	G193-N195 PolarHBondContact O-N 3.38Å; G193-S196 WeakPolarHBondContact O-CB 3.11Å; G193-S196 PolarHBondContact O-N 2.78Å
194	S	86.1	Confident	89.2	Confident	78 Å²	78	44.7 Å²	44.7	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.2	171	52	0	0	0	0	113.1	C197	S194-C197 PolarHBondContact O-SG 3.02Å
195	N	86.8	Confident	89.5	Confident	123 Å²	123	45 Å²	45	66%	0.658	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.1	169.7	66.3	-36.2	0	0	0	113.9	G193	G193-N195 PolarHBondContact O-N 3.38Å
196	S	88.9	Confident	89.9	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.028	26%	0.261	C	S	.	.			trans	-101.6	5.3	-177.9	-59.2	0	0	0	0	113.7	C189 W190 G191 G193	C189-S196 WeakPolarHBondContact CA-O 3.45Å; W190-S196 PolarHBondContact N-O 3.26Å; G191-S196 WeakPolarHBondContact O-CB 3.4Å; G193-S196 WeakPolarHBondContact O-CB 3.11Å; G193-S196 PolarHBondContact O-N 2.78Å
197	C	91.8	Very high	90.3	Very high	33 Å²	33	40.7 Å²	40.7	22%	0.223	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-62.2	139.6	173	-48.3	0	0	0	0	110.8	C184 S194	C184-C197 WeakPolarHBondContact CA-SG 3.32Å; C184-C197 HydrophobicContact CB-CB 3.84Å; C184-C197 WeakPolarHBondContact CB-SG 3.26Å; C184-C197 VanDerWaalsContact SG-CA 3.5Å; C184-C197 WeakPolarHBondContact SG-CB 3.1Å; C184-C197 CovalentContact SG-SG 2.04Å; C184-C197 PolarHBondContact SG-SG 2.91Å; S194-C197 PolarHBondContact O-SG 3.02Å
198	Q	93.3	Very high	90.6	Very high	14 Å²	14	44.5 Å²	44.5	7%	0.065	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.5	129.2	177.8	-177.6	-169.7	0.6	0	0	110.2	N157 P188 L200	N157-Q198 PolarHBondContact O-NE2 2.88Å; P188-Q198 HydrophobicContact CB-CB 4.24Å; P188-Q198 HydrophobicContact CG-CB 4.13Å; P188-Q198 PolarHBondContact O-N 3.14Å; Q198-L200 HydrophobicContact CG-CD2 4.22Å; Q198-L200 PolarHBondContact O-N 3.43Å
199	T	91.5	Very high	90.4	Very high	72 Å²	72	44 Å²	44	44%	0.442	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-79.2	119.8	170.2	-58.3	0	0	0	0	109.3	T201	T199-T201 HydrophobicContact CG2-CG2 3.93Å
200	L	92.6	Very high	89.8	Confident	45 Å²	45	50.9 Å²	50.9	24%	0.236	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-93.7	132.4	177.7	-60	177.6	0	0	0	110.3	N157 D160 P188 Q198 V204	N157-L200 HydrophobicContact CB-CD2 4.08Å; D160-L200 HydrophobicContact CB-CD2 3.78Å; P188-L200 HydrophobicContact CG-CD1 4.23Å; P188-L200 HydrophobicContact CG-CD2 4.05Å; P188-L200 HydrophobicContact CG-CG 4.38Å; Q198-L200 HydrophobicContact CG-CD2 4.22Å; Q198-L200 PolarHBondContact O-N 3.43Å; L200-V204 HydrophobicContact CB-CG1 3.76Å; L200-V204 HydrophobicContact CB-CG2 3.95Å; L200-V204 HydrophobicContact CD1-CG1 3.78Å; L200-V204 HydrophobicContact CG-CG1 4.44Å; L200-V204 WeakPolarHBondContact O-CG2 3.39Å
201	T	94	Very high	89.4	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	31%	0.313	C	S	.	.	S	Bend	trans	-139.5	2.1	-166.4	59.8	0	0	0	0	113.8	T135 D160 T199 C205 R212 C213 G228	T135-T201 HydrophobicContact CG2-CG2 4.01Å; D160-T201 VanDerWaalsContact CG-N 3.34Å; D160-T201 PolarHBondContact OD1-N 3.37Å; D160-T201 PolarHBondContact OD2-N 3.01Å; D160-T201 PolarHBondContact OD2-OG1 3.24Å; D160-T201 VanDerWaalsContact OD2-OG1 3.06Å; T199-T201 HydrophobicContact CG2-CG2 3.93Å; T201-C205 VanDerWaalsContact C-SG 3.54Å; T201-C205 PolarHBondContact O-SG 2.95Å; T201-R212 CarbonylContact O-C 3.33Å; T201-R212 VanDerWaalsContact O-CA 3.22Å; T201-R212 WeakPolarHBondContact O-CA 3.11Å; T201-R212 WeakPolarHBondContact O-CD 3.48Å; T201-R212 PolarHBondContact OG1-NH1 3.01Å; T201-C213 PolarHBondContact O-N 3.44Å; T201-G228 WeakPolarHBondContact CB-O 2.97Å; T201-G228 WeakPolarHBondContact CG2-O 3.4Å; T201-G228 PolarHBondContact OG1-O 2.75Å; T201-G228 VanDerWaalsContact OG1-O 3.12Å
202	K	92.4	Very high	89.5	Confident	67 Å²	67	52.9 Å²	52.9	29%	0.291	31%	0.314	S	S	.	.	S	Bend	trans	-136	-49.2	-179.3	173.4	-171.6	178.4	-156.8	0	111.5	F159 D160 V162 K163 V204 C205	F159-K202 PolarHBondContact O-NZ 2.99Å; D160-K202 WeakPolarHBondContact O-CD 3.41Å; D160-K202 WeakPolarHBondContact OD1-CA 3.37Å; D160-K202 PolarHBondContact OD1-N 2.65Å; V162-K202 PolarHBondContact O-NZ 3.38Å; K163-K202 PolarHBondContact O-NZ 2.91Å; K163-K202 VanDerWaalsContact O-NZ 3.15Å; K202-V204 VanDerWaalsContact C-N 3.28Å; K202-V204 PolarHBondContact O-N 3.44Å; K202-C205 VanDerWaalsContact CA-SG 3.53Å; K202-C205 PolarHBondContact O-N 2.88Å; K202-C205 PolarHBondContact O-SG 3.46Å
203	T	90.9	Very high	89.8	Confident	72 Å²	72	50.2 Å²	50.2	44%	0.442	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.1	-176.2	59.1	0	0	0	0	114.2	N157 D160	N157-T203 PolarHBondContact ND2-OG1 3.35Å; D160-T203 HydrophobicContact CB-CG2 3.98Å; D160-T203 PolarHBondContact OD1-N 3.14Å; D160-T203 PolarHBondContact OD1-OG1 3.17Å; D160-T203 VanDerWaalsContact OD1-OG1 3.04Å
204	V	91.8	Very high	90.1	Very high	37 Å²	37	53.7 Å²	53.7	22%	0.224	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.2	179.8	-63.1	0	0	0	0	113.5	L200 K202	L200-V204 HydrophobicContact CB-CG1 3.76Å; L200-V204 HydrophobicContact CB-CG2 3.95Å; L200-V204 HydrophobicContact CD1-CG1 3.78Å; L200-V204 HydrophobicContact CG-CG1 4.44Å; L200-V204 WeakPolarHBondContact O-CG2 3.39Å; K202-V204 VanDerWaalsContact C-N 3.28Å; K202-V204 PolarHBondContact O-N 3.44Å
205	C	93.3	Very high	90.4	Very high	28 Å²	28	50.9 Å²	50.9	19%	0.189	29%	0.289	C	S	.	.	S	Bend	trans	-75.6	155.6	-173.4	-54.1	0	0	0	0	112.8	T201 K202 C209 C213	T201-C205 VanDerWaalsContact C-SG 3.54Å; T201-C205 PolarHBondContact O-SG 2.95Å; K202-C205 VanDerWaalsContact CA-SG 3.53Å; K202-C205 PolarHBondContact O-N 2.88Å; K202-C205 PolarHBondContact O-SG 3.46Å; C205-C209 HydrophobicContact CB-CB 4.11Å; C205-C213 WeakPolarHBondContact CA-SG 3.49Å; C205-C213 HydrophobicContact CB-CB 3.74Å; C205-C213 WeakPolarHBondContact CB-SG 2.83Å; C205-C213 WeakPolarHBondContact SG-CB 3.22Å; C205-C213 PolarHBondContact SG-N 3.01Å; C205-C213 VanDerWaalsContact SG-N 3.41Å; C205-C213 CovalentContact SG-SG 2.03Å; C205-C213 PolarHBondContact SG-SG 2.68Å
206	A	90.7	Very high	90.6	Very high	12 Å²	12	54.2 Å²	54.2	10%	0.099	29%	0.292	C	S	.	.			trans	-71.6	148.3	172.8	0	0	0	0	0	111.1	Q208 C209	A206-Q208 PolarHBondContact O-N 3.37Å; A206-C209 WeakPolarHBondContact O-CB 3.21Å; A206-C209 PolarHBondContact O-N 3.22Å
207	P	87.7	Confident	90.7	Very high	132 Å²	132	58.4 Å²	58.4	86%	0.857	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.9	-172.1	-28.1	36.3	0	0	0	116.3
208	Q	88.3	Confident	90.6	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.491	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.6	177	64.9	-79.7	1.1	0	0	114.5	A206 N210 P218	A206-Q208 PolarHBondContact O-N 3.37Å; Q208-N210 PolarHBondContact O-N 2.94Å; Q208-P218 VanDerWaalsContact NE2-CA 3.32Å; Q208-P218 VanDerWaalsContact NE2-CG 3.26Å
209	C	88.9	Confident	90.5	Very high	17 Å²	17	64.3 Å²	64.3	12%	0.115	36%	0.355	C	S	.	.			trans	-78.5	116.7	172	-60.3	0	0	0	0	110.2	C205 A206 S211 C221	C205-C209 HydrophobicContact CB-CB 4.11Å; A206-C209 WeakPolarHBondContact O-CB 3.21Å; A206-C209 PolarHBondContact O-N 3.22Å; C209-S211 PolarHBondContact O-N 3.04Å; C209-S211 VanDerWaalsContact O-N 3.1Å; C209-C221 WeakPolarHBondContact CA-SG 3.18Å; C209-C221 HydrophobicContact CB-CB 3.74Å; C209-C221 WeakPolarHBondContact CB-SG 3.31Å; C209-C221 VanDerWaalsContact SG-CA 3.53Å; C209-C221 WeakPolarHBondContact SG-CB 3.4Å; C209-C221 CovalentContact SG-SG 2.04Å; C209-C221 PolarHBondContact SG-SG 3.14Å
210	N	81	Confident	90.6	Very high	145 Å²	145	61.9 Å²	61.9	78%	0.775	34%	0.34	S	S	*	.	S	Bend	trans	-64.7	-12.9	-178.1	-70.6	-30.3	0	0	0	115.2	Q208 V224	Q208-N210 PolarHBondContact O-N 2.94Å; N210-V224 HydrophobicContact CB-CG1 3.95Å
211	S	81.6	Confident	90.6	Very high	42 Å²	42	60.9 Å²	60.9	29%	0.294	34%	0.336	S	S	.	.	S	Bend	trans	-161.2	-104.3	-178.3	-175.8	0	0	0	0	111.5	C209	C209-S211 PolarHBondContact O-N 3.04Å; C209-S211 VanDerWaalsContact O-N 3.1Å
212	R	93.3	Very high	90.7	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.015	34%	0.339	C	S	.	.			trans	-89.8	164	-177.6	-62.5	-75.4	175.6	-174.8	-12.9	112.4	T135 E136 D160 I161 T201 C222	T135-R212 PolarHBondContact O-NH1 3.41Å; T135-R212 PolarHBondContact O-NH2 3.01Å; T135-R212 VanDerWaalsContact O-NH2 3.11Å; E136-R212 IonicContact OE1-CZ 3.61Å; E136-R212 IonicContact OE1-NE 3.67Å; E136-R212 IonicContact OE1-NH2 2.7Å; E136-R212 PolarHBondContact OE1-NH2 2.82Å; E136-R212 IonicContact OE2-CZ 3.14Å; E136-R212 IonicContact OE2-NE 3.15Å; E136-R212 PolarHBondContact OE2-NE 2.84Å; E136-R212 IonicContact OE2-NH2 2.77Å; E136-R212 PolarHBondContact OE2-NH2 3.1Å; D160-R212 VanDerWaalsContact O-CZ 3.31Å; D160-R212 PolarHBondContact O-NH1 3.45Å; D160-R212 PolarHBondContact O-NH2 2.85Å; D160-R212 IonicContact OD2-NH1 3.62Å; D160-R212 PolarHBondContact OD2-NH1 3.32Å; I161-R212 PolarHBondContact O-NH2 3.25Å; T201-R212 CarbonylContact O-C 3.33Å; T201-R212 VanDerWaalsContact O-CA 3.22Å; T201-R212 WeakPolarHBondContact O-CA 3.11Å; T201-R212 WeakPolarHBondContact O-CD 3.48Å; T201-R212 PolarHBondContact OG1-NH1 3.01Å; R212-C222 HydrophobicContact CB-CB 4.14Å; R212-C222 WeakPolarHBondContact O-CB 3.37Å; R212-C222 PolarHBondContact O-N 3.36Å
213	C	94.5	Very high	90.8	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.007	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-143.6	164.8	172.5	62.4	0	0	0	0	111.8	T201 C205 G215 D220	T201-C213 PolarHBondContact O-N 3.44Å; C205-C213 WeakPolarHBondContact CA-SG 3.49Å; C205-C213 HydrophobicContact CB-CB 3.74Å; C205-C213 WeakPolarHBondContact CB-SG 2.83Å; C205-C213 WeakPolarHBondContact SG-CB 3.22Å; C205-C213 PolarHBondContact SG-N 3.01Å; C205-C213 VanDerWaalsContact SG-N 3.41Å; C205-C213 CovalentContact SG-SG 2.03Å; C205-C213 PolarHBondContact SG-SG 2.68Å; C213-G215 PolarHBondContact SG-O 3.09Å; C213-D220 CarbonylContact C-O 3.59Å; C213-D220 WeakPolarHBondContact CA-O 3.42Å; C213-D220 WeakPolarHBondContact CB-O 3.43Å
214	F	93.7	Very high	90.8	Very high	94 Å²	94	60.4 Å²	60.4	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	-113.6	5.9	171.6	65.1	-84.1	0	0	0	113.2	D220 C230	F214-D220 HydrophobicContact CD1-CB 4.35Å; F214-D220 WeakPolarHBondContact CD1-O 3.49Å; F214-D220 HydrophobicContact CD2-CB 4.39Å; F214-D220 HydrophobicContact CE1-CB 4.25Å; F214-D220 WeakPolarHBondContact CE1-O 3.34Å; F214-D220 HydrophobicContact CE2-CB 4.26Å; F214-D220 HydrophobicContact CG-CB 4.44Å; F214-D220 HydrophobicContact CZ-CB 4.2Å; F214-D220 PolarHBondContact N-O 3.1Å; F214-C230 WeakPolarHBondContact CB-O 3.06Å; F214-C230 WeakPolarHBondContact CD1-SG 3.4Å
215	G	91.4	Very high	90.9	Very high	18 Å²	18	59.4 Å²	59.4	19%	0.186	33%	0.328	C	S	.	.	S	Bend	trans	-169.3	-175.2	-179	0	0	0	0	0	111.4	C213 D220	C213-G215 PolarHBondContact SG-O 3.09Å; G215-D220 WeakPolarHBondContact CA-OD2 3.39Å
216	R	90.9	Very high	90.9	Very high	193 Å²	193	58.1 Å²	58.1	73%	0.728	32%	0.319	S	S	*	.	S	Bend	trans	-98.4	-5.9	-173.1	-60	-170.3	-179.5	175.3	0.6	114	D220	R216-D220 PolarHBondContact N-OD2 3.11Å; R216-D220 VanDerWaalsContact N-OD2 3.16Å
217	N	90.7	Very high	90.9	Very high	92 Å²	92	57.6 Å²	57.6	49%	0.492	31%	0.314	S	S	.	.	S	Bend	trans	-93.6	161.1	-174.3	-52.7	-72	0	0	0	112	S219 D220	N217-S219 WeakPolarHBondContact CB-OG 3.49Å; N217-S219 PolarHBondContact O-N 3.4Å; N217-S219 VanDerWaalsContact O-N 3.14Å; N217-D220 VanDerWaalsContact CB-OD2 3.26Å; N217-D220 WeakPolarHBondContact CB-OD2 3.23Å; N217-D220 PolarHBondContact N-OD2 3.1Å; N217-D220 PolarHBondContact ND2-OD2 3.27Å; N217-D220 PolarHBondContact O-N 2.85Å
218	P	89.9	Confident	91	Very high	91 Å²	91	51.3 Å²	51.3	59%	0.591	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-53	-29	170.3	-17.8	21.6	0	0	0	115	Q208 D220	Q208-P218 VanDerWaalsContact NE2-CA 3.32Å; Q208-P218 VanDerWaalsContact NE2-CG 3.26Å; P218-D220 VanDerWaalsContact C-N 3.27Å; P218-D220 PolarHBondContact O-N 3.36Å
219	S	90.5	Very high	91.2	Very high	80 Å²	80	46.3 Å²	46.3	56%	0.559	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-72.4	-17.6	177.3	44	0	0	0	0	114.1	N217	N217-S219 WeakPolarHBondContact CB-OG 3.49Å; N217-S219 PolarHBondContact O-N 3.4Å; N217-S219 VanDerWaalsContact O-N 3.14Å
220	D	93.6	Very high	91.4	Very high	22 Å²	22	45.6 Å²	45.6	12%	0.118	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-103.1	11.3	-164.3	-42.5	-15.9	0	0	0	111.8	C213 F214 G215 R216 N217 P218	C213-D220 CarbonylContact C-O 3.59Å; C213-D220 WeakPolarHBondContact CA-O 3.42Å; C213-D220 WeakPolarHBondContact CB-O 3.43Å; F214-D220 HydrophobicContact CD1-CB 4.35Å; F214-D220 WeakPolarHBondContact CD1-O 3.49Å; F214-D220 HydrophobicContact CD2-CB 4.39Å; F214-D220 HydrophobicContact CE1-CB 4.25Å; F214-D220 WeakPolarHBondContact CE1-O 3.34Å; F214-D220 HydrophobicContact CE2-CB 4.26Å; F214-D220 HydrophobicContact CG-CB 4.44Å; F214-D220 HydrophobicContact CZ-CB 4.2Å; F214-D220 PolarHBondContact N-O 3.1Å; G215-D220 WeakPolarHBondContact CA-OD2 3.39Å; R216-D220 PolarHBondContact N-OD2 3.11Å; R216-D220 VanDerWaalsContact N-OD2 3.16Å; N217-D220 VanDerWaalsContact CB-OD2 3.26Å; N217-D220 WeakPolarHBondContact CB-OD2 3.23Å; N217-D220 PolarHBondContact N-OD2 3.1Å; N217-D220 PolarHBondContact ND2-OD2 3.27Å; N217-D220 PolarHBondContact O-N 2.85Å; P218-D220 VanDerWaalsContact C-N 3.27Å; P218-D220 PolarHBondContact O-N 3.36Å
221	C	94.4	Very high	92	Very high	24 Å²	24	44.8 Å²	44.8	16%	0.162	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-71.6	138.7	173.7	-54.4	0	0	0	0	110.7	C209	C209-C221 WeakPolarHBondContact CA-SG 3.18Å; C209-C221 HydrophobicContact CB-CB 3.74Å; C209-C221 WeakPolarHBondContact CB-SG 3.31Å; C209-C221 VanDerWaalsContact SG-CA 3.53Å; C209-C221 WeakPolarHBondContact SG-CB 3.4Å; C209-C221 CovalentContact SG-SG 2.04Å; C209-C221 PolarHBondContact SG-SG 3.14Å
222	C	95.1	Very high	92.5	Very high	12 Å²	12	43.1 Å²	43.1	8%	0.081	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-77.8	161	172.8	-63.2	0	0	0	0	112.1	R212 C226 G229 C230	R212-C222 HydrophobicContact CB-CB 4.14Å; R212-C222 WeakPolarHBondContact O-CB 3.37Å; R212-C222 PolarHBondContact O-N 3.36Å; C222-C226 HydrophobicContact CB-CB 3.95Å; C222-G229 VanDerWaalsContact SG-C 3.6Å; C222-C230 WeakPolarHBondContact CA-SG 3.16Å; C222-C230 HydrophobicContact CB-CB 3.8Å; C222-C230 WeakPolarHBondContact CB-SG 3.5Å; C222-C230 WeakPolarHBondContact SG-CB 3.5Å; C222-C230 PolarHBondContact SG-N 2.7Å; C222-C230 CovalentContact SG-SG 2.04Å; C222-C230 PolarHBondContact SG-SG 3.4Å
223	H	94.3	Very high	92.4	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.296	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-57.8	147.7	167.3	-171.2	-110.4	0	0	0	111.3	E225 C226 D235	H223-E225 PolarHBondContact ND1-N 2.91Å; H223-E225 PolarHBondContact O-N 3.07Å; H223-C226 WeakPolarHBondContact O-CB 3.32Å; H223-C226 PolarHBondContact O-N 3.15Å; H223-C226 PolarHBondContact O-SG 2.79Å; H223-D235 WeakPolarHBondContact ND1-CB 3.48Å
224	V	92	Very high	92.3	Very high	55 Å²	55	51.2 Å²	51.2	33%	0.333	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.7	-172.4	-57.8	0	0	0	0	114.4	N210 K242	N210-V224 HydrophobicContact CB-CG1 3.95Å; V224-K242 WeakPolarHBondContact O-CD 3.33Å; V224-K242 PolarHBondContact O-NZ 2.88Å
225	E	93.4	Very high	92.2	Very high	17 Å²	17	49 Å²	49	8%	0.079	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	5	176.4	-65.7	-58.5	110.4	0	0	114	H223 K242 N243 C250 L252	H223-E225 PolarHBondContact ND1-N 2.91Å; H223-E225 PolarHBondContact O-N 3.07Å; E225-K242 WeakPolarHBondContact O-CB 3.32Å; E225-K242 PolarHBondContact O-N 3Å; E225-K242 IonicContact OE1-NZ 2.71Å; E225-N243 PolarHBondContact OE2-ND2 2.79Å; E225-C250 HydrophobicContact CB-CB 3.97Å; E225-C250 WeakPolarHBondContact CB-O 3.47Å; E225-L252 WeakPolarHBondContact OE2-CA 3.49Å
226	C	93.4	Very high	92.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.3	170.4	-59.7	0	0	0	0	111.8	C222 H223 C238	C222-C226 HydrophobicContact CB-CB 3.95Å; H223-C226 WeakPolarHBondContact O-CB 3.32Å; H223-C226 PolarHBondContact O-N 3.15Å; H223-C226 PolarHBondContact O-SG 2.79Å; C226-C238 WeakPolarHBondContact CA-SG 3.35Å; C226-C238 HydrophobicContact CB-CB 3.6Å; C226-C238 WeakPolarHBondContact CB-SG 3.3Å; C226-C238 WeakPolarHBondContact SG-CA 3.23Å; C226-C238 WeakPolarHBondContact SG-CB 3.38Å; C226-C238 CovalentContact SG-SG 2.03Å; C226-C238 PolarHBondContact SG-SG 2.99Å
227	A	90.9	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.6	167.9	0	0	0	0	0	110.2	V99 E136 G229 A240 K242	V99-A227 HydrophobicContact CG2-CB 4.27Å; E136-A227 HydrophobicContact CG-CB 4.22Å; A227-G229 PolarHBondContact O-N 2.74Å; A227-A240 HydrophobicContact CB-CB 4.48Å; A227-A240 PolarHBondContact N-O 3.09Å; A227-K242 HydrophobicContact CB-CB 4.33Å
228	G	89.4	Confident	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	-24.4	-177.8	0	0	0	0	0	115.5	T135 E136 T201	T135-G228 VanDerWaalsContact CB-O 3.31Å; T135-G228 WeakPolarHBondContact CB-O 3.32Å; T135-G228 PolarHBondContact OG1-O 3.03Å; E136-G228 PolarHBondContact OE2-N 2.86Å; T201-G228 WeakPolarHBondContact CB-O 2.97Å; T201-G228 WeakPolarHBondContact CG2-O 3.4Å; T201-G228 PolarHBondContact OG1-O 2.75Å; T201-G228 VanDerWaalsContact OG1-O 3.12Å
229	G	92.2	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-164.5	179.4	0	0	0	0	0	112.5	C222 A227 F239	C222-G229 VanDerWaalsContact SG-C 3.6Å; A227-G229 PolarHBondContact O-N 2.74Å; G229-F239 VanDerWaalsContact C-CD2 3.41Å; G229-F239 VanDerWaalsContact C-CG 3.48Å; G229-F239 PolarHBondContact O-N 3.31Å
230	C	93.3	Very high	92.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	170.4	-175.1	61.2	0	0	0	0	110.8	F214 C222 G232 D237 F239	F214-C230 WeakPolarHBondContact CB-O 3.06Å; F214-C230 WeakPolarHBondContact CD1-SG 3.4Å; C222-C230 WeakPolarHBondContact CA-SG 3.16Å; C222-C230 HydrophobicContact CB-CB 3.8Å; C222-C230 WeakPolarHBondContact CB-SG 3.5Å; C222-C230 WeakPolarHBondContact SG-CB 3.5Å; C222-C230 PolarHBondContact SG-N 2.7Å; C222-C230 CovalentContact SG-SG 2.04Å; C222-C230 PolarHBondContact SG-SG 3.4Å; C230-G232 WeakPolarHBondContact CB-O 3.45Å; C230-G232 PolarHBondContact SG-O 2.82Å; C230-D237 CarbonylContact C-O 3.06Å; C230-D237 VanDerWaalsContact CA-O 3.25Å; C230-D237 WeakPolarHBondContact CA-O 3.33Å; C230-D237 WeakPolarHBondContact CB-O 3.32Å; C230-F239 VanDerWaalsContact O-CE1 3.29Å; C230-F239 WeakPolarHBondContact O-CE1 3.27Å; C230-F239 WeakPolarHBondContact O-CZ 3.29Å
231	N	93.3	Very high	92.3	Very high	129 Å²	129	35.7 Å²	35.7	69%	0.69	20%	0.202	S	C	*	.	S	Bend	trans	-102.8	2.4	170	-57.4	-81.1	0	0	0	112.8	D237	N231-D237 PolarHBondContact N-O 2.94Å; N231-D237 PolarHBondContact ND2-O 2.95Å
232	G	92.6	Very high	92.1	Very high	6 Å²	6	38.1 Å²	38.1	6%	0.062	21%	0.21	C	C	.	.	S	Bend	trans	178	174.3	-170.6	0	0	0	0	0	111.8	C230 L234 D237	C230-G232 WeakPolarHBondContact CB-O 3.45Å; C230-G232 PolarHBondContact SG-O 2.82Å; G232-L234 PolarHBondContact O-N 3.41Å; G232-D237 VanDerWaalsContact C-OD2 3.23Å; G232-D237 WeakPolarHBondContact CA-OD2 3.35Å; G232-D237 WeakPolarHBondContact O-CB 3.42Å
233	P	91.4	Very high	91.9	Very high	76 Å²	76	40.1 Å²	40.1	49%	0.494	22%	0.22	S	C	.	.	S	Bend	trans	-82.6	-5.8	-170.1	33.8	-36.9	0	0	0	114.7
234	L	92.9	Very high	91.7	Very high	100 Å²	100	38.6 Å²	38.6	52%	0.524	21%	0.213	S	C	.	.	S	Bend	trans	-86.1	160.2	-176.3	-54.5	177	0	0	0	112.6	G232 T236 D237	G232-L234 PolarHBondContact O-N 3.41Å; L234-T236 PolarHBondContact O-N 2.84Å; L234-D237 WeakPolarHBondContact CB-OD2 3.46Å; L234-D237 PolarHBondContact N-OD2 3.26Å; L234-D237 PolarHBondContact O-N 2.87Å; L234-D237 VanDerWaalsContact O-N 3.08Å
235	D	91.3	Very high	91.6	Very high	47 Å²	47	38 Å²	38	25%	0.251	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.5	173.5	70.6	-47	0	0	0	113.4	H223 S249 C250	H223-D235 WeakPolarHBondContact ND1-CB 3.48Å; D235-S249 WeakPolarHBondContact OD2-CB 3.08Å; D235-S249 PolarHBondContact OD2-OG 2.89Å; D235-C250 WeakPolarHBondContact O-CB 3.17Å; D235-C250 PolarHBondContact O-N 2.96Å
236	T	93.3	Very high	91.4	Very high	77 Å²	77	39 Å²	39	47%	0.472	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.9	172	52.8	0	0	0	0	114.4	L234 G248	L234-T236 PolarHBondContact O-N 2.84Å; T236-G248 WeakPolarHBondContact CA-O 3.46Å
237	D	93.5	Very high	91.2	Very high	42 Å²	42	43.9 Å²	43.9	23%	0.225	25%	0.247	C	C	.	.	S	Bend	trans	-96	-4.5	-167.2	-54.3	-17.2	0	0	0	112.5	C230 N231 G232 L234	C230-D237 CarbonylContact C-O 3.06Å; C230-D237 VanDerWaalsContact CA-O 3.25Å; C230-D237 WeakPolarHBondContact CA-O 3.33Å; C230-D237 WeakPolarHBondContact CB-O 3.32Å; N231-D237 PolarHBondContact N-O 2.94Å; N231-D237 PolarHBondContact ND2-O 2.95Å; G232-D237 VanDerWaalsContact C-OD2 3.23Å; G232-D237 WeakPolarHBondContact CA-OD2 3.35Å; G232-D237 WeakPolarHBondContact O-CB 3.42Å; L234-D237 WeakPolarHBondContact CB-OD2 3.46Å; L234-D237 PolarHBondContact N-OD2 3.26Å; L234-D237 PolarHBondContact O-N 2.87Å; L234-D237 VanDerWaalsContact O-N 3.08Å
238	C	92.3	Very high	90.9	Very high	20 Å²	20	45.7 Å²	45.7	14%	0.135	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.6	-177.5	-55.2	0	0	0	0	113.3	C226 A240 C250	C226-C238 WeakPolarHBondContact CA-SG 3.35Å; C226-C238 HydrophobicContact CB-CB 3.6Å; C226-C238 WeakPolarHBondContact CB-SG 3.3Å; C226-C238 WeakPolarHBondContact SG-CA 3.23Å; C226-C238 WeakPolarHBondContact SG-CB 3.38Å; C226-C238 CovalentContact SG-SG 2.03Å; C226-C238 PolarHBondContact SG-SG 2.99Å; C238-A240 WeakPolarHBondContact CB-O 3.39Å; C238-C250 VanDerWaalsContact SG-SG 3.67Å
239	F	89.4	Confident	91.1	Very high	54 Å²	54	47 Å²	47	24%	0.237	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-37.3	171.5	-66.5	-17.5	0	0	0	112.5	R98 G229 C230	R98-F239 VanDerWaalsContact NH1-CE2 3.26Å; G229-F239 VanDerWaalsContact C-CD2 3.41Å; G229-F239 VanDerWaalsContact C-CG 3.48Å; G229-F239 PolarHBondContact O-N 3.31Å; C230-F239 VanDerWaalsContact O-CE1 3.29Å; C230-F239 WeakPolarHBondContact O-CE1 3.27Å; C230-F239 WeakPolarHBondContact O-CZ 3.29Å
240	A	89.1	Confident	91.1	Very high	17 Å²	17	47.3 Å²	47.3	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.1	171.2	0	0	0	0	0	108.9	V99 A227 C238	V99-A240 HydrophobicContact CG2-CB 3.54Å; A227-A240 HydrophobicContact CB-CB 4.48Å; A227-A240 PolarHBondContact N-O 3.09Å; C238-A240 WeakPolarHBondContact CB-O 3.39Å
241	C	90.9	Very high	91	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.1	177	-55.9	0	0	0	0	110.8	R101 N245 C250	R101-C241 PolarHBondContact NH1-O 3.01Å; R101-C241 PolarHBondContact NH2-O 3.44Å; C241-N245 HydrophobicContact CB-CB 4.34Å; C241-N245 VanDerWaalsContact SG-CA 3.56Å; C241-N245 VanDerWaalsContact SG-CB 3.57Å; C241-C250 WeakPolarHBondContact CA-SG 3.28Å; C241-C250 HydrophobicContact CB-CB 3.59Å; C241-C250 WeakPolarHBondContact CB-SG 3.44Å; C241-C250 WeakPolarHBondContact SG-CA 3.28Å; C241-C250 WeakPolarHBondContact SG-CB 3.39Å; C241-C250 CovalentContact SG-SG 2.04Å; C241-C250 PolarHBondContact SG-SG 3.01Å
242	K	89.9	Confident	90.8	Very high	75 Å²	75	47.7 Å²	47.7	33%	0.326	28%	0.28	S	S	.	.	S	Bend	trans	-58.2	-52.9	175.3	-177.9	-174	179.7	-167.9	0	111.3	R101 V224 E225 A227	R101-K242 PolarHBondContact NH1-O 2.67Å; V224-K242 WeakPolarHBondContact O-CD 3.33Å; V224-K242 PolarHBondContact O-NZ 2.88Å; E225-K242 WeakPolarHBondContact O-CB 3.32Å; E225-K242 PolarHBondContact O-N 3Å; E225-K242 IonicContact OE1-NZ 2.71Å; A227-K242 HydrophobicContact CB-CB 4.33Å
243	N	90.1	Very high	90.6	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.294	30%	0.301	S	S	.	.	S	Bend	trans	-97.3	-91.7	173.6	-65.7	-70.3	0	0	0	111	E225 V251 L252	E225-N243 PolarHBondContact OE2-ND2 2.79Å; N243-V251 WeakPolarHBondContact CB-O 3.17Å; N243-L252 WeakPolarHBondContact ND2-CD1 3.49Å
244	F	90.3	Very high	90.5	Very high	32 Å²	32	49.3 Å²	49.3	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.7	-174	-54	-82.5	0	0	0	114	C250 V251 L252 Q276 G278 S279	F244-C250 WeakPolarHBondContact O-CA 3.45Å; F244-V251 HydrophobicContact CB-CG2 4.19Å; F244-V251 PolarHBondContact N-O 3.31Å; F244-V251 PolarHBondContact O-N 2.78Å; F244-L252 WeakPolarHBondContact CD2-O 3.34Å; F244-Q276 HydrophobicContact CD1-CB 4.4Å; F244-Q276 HydrophobicContact CD1-CG 4.26Å; F244-Q276 HydrophobicContact CE1-CB 3.8Å; F244-Q276 HydrophobicContact CE1-CG 3.7Å; F244-Q276 HydrophobicContact CE2-CG 4.41Å; F244-Q276 HydrophobicContact CZ-CB 4.3Å; F244-Q276 HydrophobicContact CZ-CG 3.78Å; F244-G278 WeakPolarHBondContact CE1-O 3.24Å; F244-S279 CarbonylContact C-O 3.54Å; F244-S279 WeakPolarHBondContact CA-O 3.44Å
245	N	90.2	Very high	90.3	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.2	167.7	-173.2	-33.2	0	0	0	110.7	C241 S247 G248 S279 I280 C281	C241-N245 HydrophobicContact CB-CB 4.34Å; C241-N245 VanDerWaalsContact SG-CA 3.56Å; C241-N245 VanDerWaalsContact SG-CB 3.57Å; N245-S247 PolarHBondContact OD1-N 3.41Å; N245-G248 PolarHBondContact OD1-N 2.68Å; N245-S279 PolarHBondContact N-O 2.75Å; N245-I280 HydrophobicContact CB-CG2 4.17Å; N245-C281 PolarHBondContact O-N 3.39Å
246	N	90.3	Very high	90	Very high	38 Å²	38	47.6 Å²	47.6	20%	0.203	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	80.6	174.1	-179.2	30	0	0	0	110.5	G248 S249 V251 K274 C281	N246-G248 PolarHBondContact O-N 2.97Å; N246-S249 PolarHBondContact N-O 3.33Å; N246-S249 PolarHBondContact O-N 2.79Å; N246-V251 HydrophobicContact CB-CG1 4.09Å; N246-V251 HydrophobicContact CB-CG2 3.67Å; N246-K274 WeakPolarHBondContact OD1-CD 3.29Å; N246-K274 WeakPolarHBondContact OD1-CE 3.28Å; N246-K274 PolarHBondContact OD1-NZ 3.04Å; N246-C281 HydrophobicContact CB-CB 4.34Å
247	S	88.1	Confident	89.5	Confident	104 Å²	104	45.8 Å²	45.8	73%	0.727	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	31.6	176.2	-61.4	0	0	0	0	114.8	N245 K274	N245-S247 PolarHBondContact OD1-N 3.41Å; S247-K274 PolarHBondContact OG-NZ 2.88Å
248	G	86.1	Confident	89	Confident	39 Å²	39	47.3 Å²	47.3	40%	0.402	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	115.7	-21.5	178.8	0	0	0	0	0	114.4	T236 N245 N246	T236-G248 WeakPolarHBondContact CA-O 3.46Å; N245-G248 PolarHBondContact OD1-N 2.68Å; N246-G248 PolarHBondContact O-N 2.97Å
249	S	92.2	Very high	88.8	Confident	28 Å²	28	47.7 Å²	47.7	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134.3	175.1	151.3	0	0	0	0	110.5	D235 N246 V251	D235-S249 WeakPolarHBondContact OD2-CB 3.08Å; D235-S249 PolarHBondContact OD2-OG 2.89Å; N246-S249 PolarHBondContact N-O 3.33Å; N246-S249 PolarHBondContact O-N 2.79Å; S249-V251 WeakPolarHBondContact OG-CG1 3.46Å
250	C	92.9	Very high	88.6	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.3	176.9	-65.3	0	0	0	0	111.8	E225 D235 C238 C241 F244	E225-C250 HydrophobicContact CB-CB 3.97Å; E225-C250 WeakPolarHBondContact CB-O 3.47Å; D235-C250 WeakPolarHBondContact O-CB 3.17Å; D235-C250 PolarHBondContact O-N 2.96Å; C238-C250 VanDerWaalsContact SG-SG 3.67Å; C241-C250 WeakPolarHBondContact CA-SG 3.28Å; C241-C250 HydrophobicContact CB-CB 3.59Å; C241-C250 WeakPolarHBondContact CB-SG 3.44Å; C241-C250 WeakPolarHBondContact SG-CA 3.28Å; C241-C250 WeakPolarHBondContact SG-CB 3.39Å; C241-C250 CovalentContact SG-SG 2.04Å; C241-C250 PolarHBondContact SG-SG 3.01Å; F244-C250 WeakPolarHBondContact O-CA 3.45Å
251	V	91	Very high	88.4	Confident	30 Å²	30	47.1 Å²	47.1	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.6	-172.4	-60	0	0	0	0	112.7	N243 F244 N246 S249 Q253	N243-V251 WeakPolarHBondContact CB-O 3.17Å; F244-V251 HydrophobicContact CB-CG2 4.19Å; F244-V251 PolarHBondContact N-O 3.31Å; F244-V251 PolarHBondContact O-N 2.78Å; N246-V251 HydrophobicContact CB-CG1 4.09Å; N246-V251 HydrophobicContact CB-CG2 3.67Å; S249-V251 WeakPolarHBondContact OG-CG1 3.46Å; V251-Q253 VanDerWaalsContact C-N 3.33Å; V251-Q253 VanDerWaalsContact CG2-O 3.3Å; V251-Q253 WeakPolarHBondContact CG2-O 3.43Å; V251-Q253 PolarHBondContact O-N 2.77Å
252	L	88.3	Confident	88	Confident	109 Å²	109	51 Å²	51	57%	0.571	28%	0.281	S	S	*	.	S	Bend	trans	-64.9	-33.4	177	-178	61.3	0	0	0	112.9	E225 N243 F244	E225-L252 WeakPolarHBondContact OE2-CA 3.49Å; N243-L252 WeakPolarHBondContact ND2-CD1 3.49Å; F244-L252 WeakPolarHBondContact CD2-O 3.34Å
253	Q	88.6	Confident	87.8	Confident	109 Å²	109	55.7 Å²	55.7	51%	0.509	30%	0.304	S	S	.	.	S	Bend	trans	-144.4	145.5	176.8	-64.6	-174.1	5.2	0	0	110.8	V251 Q256	V251-Q253 VanDerWaalsContact C-N 3.33Å; V251-Q253 VanDerWaalsContact CG2-O 3.3Å; V251-Q253 WeakPolarHBondContact CG2-O 3.43Å; V251-Q253 PolarHBondContact O-N 2.77Å; Q253-Q256 VanDerWaalsContact OE1-NE2 3.17Å
254	C	90	Very high	87.5	Confident	7 Å²	7	54.8 Å²	54.8	5%	0.047	30%	0.302	C	S	.	.			trans	-67.2	149.5	169.8	-62	0	0	0	0	112	Q256 K274 Q276 C281	C254-Q256 PolarHBondContact O-N 2.96Å; C254-K274 HydrophobicContact CB-CB 4.49Å; C254-Q276 HydrophobicContact CB-CG 4.04Å; C254-C281 WeakPolarHBondContact CA-SG 3.47Å; C254-C281 HydrophobicContact CB-CB 3.8Å; C254-C281 WeakPolarHBondContact CB-SG 3.32Å; C254-C281 WeakPolarHBondContact SG-CA 3.43Å; C254-C281 WeakPolarHBondContact SG-CB 3.33Å; C254-C281 CovalentContact SG-SG 2.04Å; C254-C281 PolarHBondContact SG-SG 3.02Å
255	P	88.6	Confident	87.3	Confident	36 Å²	36	56.5 Å²	56.5	23%	0.234	31%	0.309	C	S	.	.			trans	-46.7	112.1	175.2	-32.5	35.7	0	0	0	114	N272 A273 K274	P255-N272 VanDerWaalsContact CB-O 3.25Å; P255-N272 WeakPolarHBondContact CB-O 3.41Å; P255-A273 WeakPolarHBondContact O-CA 3.48Å; P255-K274 PolarHBondContact O-N 3.1Å
256	Q	84.9	Confident	87	Confident	74 Å²	74	59 Å²	59	35%	0.346	32%	0.318	S	S	.	.			trans	-59.2	148.4	-170.8	-66.1	-179	-7.4	0	0	112.8	Q253 C254 L258 N270	Q253-Q256 VanDerWaalsContact OE1-NE2 3.17Å; C254-Q256 PolarHBondContact O-N 2.96Å; Q256-L258 VanDerWaalsContact C-N 3.26Å; Q256-L258 PolarHBondContact O-N 2.89Å; Q256-N270 WeakPolarHBondContact O-CB 3.45Å; Q256-N270 PolarHBondContact O-ND2 3.41Å
257	T	82.3	Confident	86.6	Confident	39 Å²	39	61.5 Å²	61.5	24%	0.239	33%	0.33	C	S	.	.	S	Bend	trans	-71.5	-19.8	-177.1	52.4	0	0	0	0	113.8	N270 A273 Y275	T257-N270 PolarHBondContact O-N 3.5Å; T257-N270 VanDerWaalsContact O-N 3.1Å; T257-A273 HydrophobicContact CG2-CB 4.37Å; T257-Y275 HydrophobicContact CG2-CD1 4.15Å; T257-Y275 HydrophobicContact CG2-CE1 3.68Å
258	L	84.6	Confident	86.4	Confident	74 Å²	74	60.2 Å²	60.2	39%	0.387	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.9	173.8	-60.5	174.3	0	0	0	110.3	Q256 M267 E268 R269	Q256-L258 VanDerWaalsContact C-N 3.26Å; Q256-L258 PolarHBondContact O-N 2.89Å; L258-M267 HydrophobicContact CB-CB 4.25Å; L258-M267 HydrophobicContact CB-CE 3.87Å; L258-M267 HydrophobicContact CD1-CB 4.2Å; L258-E268 CarbonylContact C-O 3.55Å; L258-E268 WeakPolarHBondContact CA-O 3.4Å; L258-R269 HydrophobicContact CD2-CG 4.27Å
259	I	86.7	Confident	86.3	Confident	29 Å²	29	67.7 Å²	67.7	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.8	171.7	47.7	173.6	0	0	0	109.6	N261 M267 E268 N270 M591	I259-N261 PolarHBondContact O-N 2.98Å; I259-M267 WeakPolarHBondContact O-CA 3.41Å; I259-E268 PolarHBondContact N-O 3.42Å; I259-E268 PolarHBondContact O-N 3.22Å; I259-N270 HydrophobicContact CD1-CB 4.28Å; I259-N270 HydrophobicContact CG1-CB 4.01Å; I259-N270 HydrophobicContact CG2-CB 3.96Å; I259-M591 CarbonylContact C-O 3.55Å; I259-M591 VanDerWaalsContact CA-O 3.32Å; I259-M591 WeakPolarHBondContact CA-O 3.33Å; I259-M591 WeakPolarHBondContact CB-O 3.17Å; I259-M591 HydrophobicContact CG2-CB 4.45Å
260	Y	85.9	Confident	85.9	Confident	13 Å²	13	67.5 Å²	67.5	5%	0.051	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.8	176	-176.9	-81.7	0	0	0	110.1	F265 M267 D578 P587 V590 M591 I597 K599	Y260-F265 WeakPolarHBondContact OH-CD1 3.26Å; Y260-M267 HydrophobicContact CD2-SD 4.08Å; Y260-M267 HydrophobicContact CG-SD 4.39Å; Y260-D578 PolarHBondContact OH-OD2 2.78Å; Y260-P587 HydrophobicContact CE2-CB 4.39Å; Y260-P587 HydrophobicContact CE2-CG 3.85Å; Y260-V590 HydrophobicContact CD1-CG2 4.48Å; Y260-V590 HydrophobicContact CD2-CG2 4.22Å; Y260-V590 HydrophobicContact CG-CG2 3.89Å; Y260-M591 PolarHBondContact N-O 3.34Å; Y260-I597 HydrophobicContact CD1-CD1 3.68Å; Y260-I597 HydrophobicContact CE1-CD1 4.5Å; Y260-I597 HydrophobicContact CG-CD1 4.47Å; Y260-K599 WeakPolarHBondContact OH-CE 3.25Å; Y260-K599 PolarHBondContact OH-NZ 3.28Å
261	N	85.8	Confident	85.5	Confident	46 Å²	46	72.6 Å²	72.6	25%	0.246	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.8	174.9	-178.5	-14.6	0	0	0	110.7	I259 Q263 S264 F265 K266 E268	I259-N261 PolarHBondContact O-N 2.98Å; N261-Q263 PolarHBondContact O-N 3.22Å; N261-Q263 VanDerWaalsContact O-N 3.1Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.28Å; N261-Q263 PolarHBondContact OD1-N 3.1Å; N261-S264 WeakPolarHBondContact CB-OG 3.35Å; N261-S264 PolarHBondContact O-N 2.89Å; N261-F265 PolarHBondContact O-N 3.35Å; N261-K266 PolarHBondContact N-O 2.71Å; N261-E268 HydrophobicContact CB-CB 4.5Å; N261-E268 HydrophobicContact CB-CG 4.18Å; N261-E268 VanDerWaalsContact ND2-CD 3.31Å; N261-E268 PolarHBondContact ND2-OE1 3.47Å; N261-E268 PolarHBondContact ND2-OE2 2.55Å
262	K	82.3	Confident	85.2	Confident	88 Å²	88	77 Å²	77	38%	0.383	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.9	178.9	-63.8	174.1	-175.4	168.6	0	114.1	E594 I597	K262-E594 IonicContact NZ-OE2 3.51Å; K262-E594 PolarHBondContact NZ-OE2 3.37Å; K262-I597 HydrophobicContact CD-CD1 4.26Å; K262-I597 HydrophobicContact CG-CD1 3.57Å; K262-I597 HydrophobicContact CG-CG1 4.48Å
263	Q	84.1	Confident	85	Confident	173 Å²	173	72.8 Å²	72.8	81%	0.808	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-38.1	-175.2	-57.4	-177.3	13.8	0	0	113.3	N261 F265	N261-Q263 PolarHBondContact O-N 3.22Å; N261-Q263 VanDerWaalsContact O-N 3.1Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.28Å; N261-Q263 PolarHBondContact OD1-N 3.1Å; Q263-F265 WeakPolarHBondContact O-CD2 3.47Å
264	S	84.9	Confident	85.1	Confident	36 Å²	36	69.5 Å²	69.5	25%	0.252	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.9	-177.7	65.4	0	0	0	0	113.7	N261 K266 E268	N261-S264 WeakPolarHBondContact CB-OG 3.35Å; N261-S264 PolarHBondContact O-N 2.89Å; S264-K266 PolarHBondContact O-N 3.08Å; S264-E268 WeakPolarHBondContact CB-OE1 3.46Å; S264-E268 PolarHBondContact OG-OE1 2.92Å
265	F	85.1	Confident	85	Confident	67 Å²	67	70.7 Å²	70.7	29%	0.294	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	28.4	-177.2	-58.3	-105.1	0	0	0	112.8	Y260 N261 Q263 D578 H581	Y260-F265 WeakPolarHBondContact OH-CD1 3.26Å; N261-F265 PolarHBondContact O-N 3.35Å; Q263-F265 WeakPolarHBondContact O-CD2 3.47Å; F265-D578 WeakPolarHBondContact CD1-OD1 3.44Å; F265-H581 PolarHBondContact O-CD2 3.27Å
266	K	83.8	Confident	85.1	Confident	94 Å²	94	71.3 Å²	71.3	41%	0.409	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.2	-176.7	-71.8	178.1	-179.4	-175.8	0	111.1	N261 S264 D568 H581	N261-K266 PolarHBondContact N-O 2.71Å; S264-K266 PolarHBondContact O-N 3.08Å; K266-D568 IonicContact NZ-OD2 3.99Å; K266-D568 PolarHBondContact NZ-OD2 2.89Å; K266-D568 VanDerWaalsContact NZ-OD2 3.12Å; K266-H581 WeakPolarHBondContact CE-CE1 3.34Å; K266-H581 WeakPolarHBondContact CE-NE2 3.37Å
267	M	82.4	Confident	85.1	Confident	91 Å²	91	69.4 Å²	69.4	45%	0.448	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.2	166.8	-63.6	-58.7	-70.6	0	0	109.1	L258 I259 Y260	L258-M267 HydrophobicContact CB-CB 4.25Å; L258-M267 HydrophobicContact CB-CE 3.87Å; L258-M267 HydrophobicContact CD1-CB 4.2Å; I259-M267 WeakPolarHBondContact O-CA 3.41Å; Y260-M267 HydrophobicContact CD2-SD 4.08Å; Y260-M267 HydrophobicContact CG-SD 4.39Å
268	E	85	Confident	85	Confident	77 Å²	77	69.4 Å²	69.4	36%	0.36	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.7	-178.6	-71.5	179.6	-171.7	0	0	111.1	L258 I259 N261 S264 N270	L258-E268 CarbonylContact C-O 3.55Å; L258-E268 WeakPolarHBondContact CA-O 3.4Å; I259-E268 PolarHBondContact N-O 3.42Å; I259-E268 PolarHBondContact O-N 3.22Å; N261-E268 HydrophobicContact CB-CB 4.5Å; N261-E268 HydrophobicContact CB-CG 4.18Å; N261-E268 VanDerWaalsContact ND2-CD 3.31Å; N261-E268 PolarHBondContact ND2-OE1 3.47Å; N261-E268 PolarHBondContact ND2-OE2 2.55Å; S264-E268 WeakPolarHBondContact CB-OE1 3.46Å; S264-E268 PolarHBondContact OG-OE1 2.92Å; E268-N270 PolarHBondContact O-N 3.45Å
269	R	83.2	Confident	84.9	Confident	195 Å²	195	66.3 Å²	66.3	74%	0.736	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.5	-177.7	-69.7	-177.7	179.8	173.7	0.4	111.2	L258	L258-R269 HydrophobicContact CD2-CG 4.27Å
270	N	84.3	Confident	84.9	Confident	24 Å²	24	66.5 Å²	66.5	13%	0.128	33%	0.332	C	S	.	.			trans	-73.9	122.4	174.4	-178	5.8	0	0	0	110.3	Q256 T257 I259 E268 N272 A273	Q256-N270 WeakPolarHBondContact O-CB 3.45Å; Q256-N270 PolarHBondContact O-ND2 3.41Å; T257-N270 PolarHBondContact O-N 3.5Å; T257-N270 VanDerWaalsContact O-N 3.1Å; I259-N270 HydrophobicContact CD1-CB 4.28Å; I259-N270 HydrophobicContact CG1-CB 4.01Å; I259-N270 HydrophobicContact CG2-CB 3.96Å; E268-N270 PolarHBondContact O-N 3.45Å; N270-N272 PolarHBondContact O-N 3.19Å; N270-N272 PolarHBondContact OD1-N 2.93Å; N270-A273 HydrophobicContact CB-CB 4.2Å; N270-A273 VanDerWaalsContact O-CB 3.32Å; N270-A273 WeakPolarHBondContact O-CB 3.16Å; N270-A273 PolarHBondContact O-N 2.87Å
271	P	83.6	Confident	85.2	Confident	114 Å²	114	66.4 Å²	66.4	74%	0.74	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.8	174.8	28.5	-35.2	0	0	0	112.7	A273	P271-A273 VanDerWaalsContact C-N 3.33Å
272	N	84.1	Confident	85.3	Confident	123 Å²	123	65.5 Å²	65.5	66%	0.658	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	16.2	178.9	-62.6	-34.2	0	0	0	112.7	P255 N270	P255-N272 VanDerWaalsContact CB-O 3.25Å; P255-N272 WeakPolarHBondContact CB-O 3.41Å; N270-N272 PolarHBondContact O-N 3.19Å; N270-N272 PolarHBondContact OD1-N 2.93Å
273	A	85.9	Confident	85.5	Confident	20 Å²	20	64.5 Å²	64.5	17%	0.165	34%	0.338	C	S	.	.			trans	-57.5	139.1	179.2	0	0	0	0	0	112	P255 T257 N270 P271	P255-A273 WeakPolarHBondContact O-CA 3.48Å; T257-A273 HydrophobicContact CG2-CB 4.37Å; N270-A273 HydrophobicContact CB-CB 4.2Å; N270-A273 VanDerWaalsContact O-CB 3.32Å; N270-A273 WeakPolarHBondContact O-CB 3.16Å; N270-A273 PolarHBondContact O-N 2.87Å; P271-A273 VanDerWaalsContact C-N 3.33Å
274	K	89.6	Confident	85.5	Confident	39 Å²	39	64.1 Å²	64.1	17%	0.17	34%	0.336	C	S	.	.			trans	-133.2	139.9	169.1	-66.2	-175.3	178.3	-178.3	0	110.1	N246 S247 C254 P255 C281 V282	N246-K274 WeakPolarHBondContact OD1-CD 3.29Å; N246-K274 WeakPolarHBondContact OD1-CE 3.28Å; N246-K274 PolarHBondContact OD1-NZ 3.04Å; S247-K274 PolarHBondContact OG-NZ 2.88Å; C254-K274 HydrophobicContact CB-CB 4.49Å; P255-K274 PolarHBondContact O-N 3.1Å; K274-C281 HydrophobicContact CB-CB 3.98Å; K274-C281 HydrophobicContact CD-CB 3.82Å; K274-V282 CarbonylContact C-O 3.57Å; K274-V282 VanDerWaalsContact CA-O 3.31Å; K274-V282 WeakPolarHBondContact CA-O 3.12Å; K274-V282 WeakPolarHBondContact CB-O 3.21Å
275	Y	88.9	Confident	85.4	Confident	33 Å²	33	63.6 Å²	63.6	13%	0.129	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.1	176.9	-52.2	-82.3	0	0	0	110.4	T257 V282 A283 V291 S294 C296	T257-Y275 HydrophobicContact CG2-CD1 4.15Å; T257-Y275 HydrophobicContact CG2-CE1 3.68Å; Y275-V282 PolarHBondContact N-O 3.23Å; Y275-V282 PolarHBondContact O-N 3.04Å; Y275-A283 WeakPolarHBondContact CE2-O 3.36Å; Y275-V291 HydrophobicContact CD1-CG1 3.72Å; Y275-V291 HydrophobicContact CD1-CG2 4.22Å; Y275-V291 HydrophobicContact CE1-CB 4.41Å; Y275-V291 HydrophobicContact CE1-CG1 3.42Å; Y275-V291 VanDerWaalsContact CE1-CG1 3.42Å; Y275-V291 HydrophobicContact CE1-CG2 4.03Å; Y275-S294 CarbonylContact C-O 3.6Å; Y275-S294 VanDerWaalsContact CA-O 3.25Å; Y275-S294 WeakPolarHBondContact CA-O 3.28Å; Y275-C296 VanDerWaalsContact CB-SG 3.54Å
276	Q	90.3	Very high	85.1	Confident	49 Å²	49	62.3 Å²	62.3	23%	0.229	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.9	171.6	-59.8	165.9	6.8	0	0	109.4	F244 C254 S294 S295 C296	F244-Q276 HydrophobicContact CD1-CB 4.4Å; F244-Q276 HydrophobicContact CD1-CG 4.26Å; F244-Q276 HydrophobicContact CE1-CB 3.8Å; F244-Q276 HydrophobicContact CE1-CG 3.7Å; F244-Q276 HydrophobicContact CE2-CG 4.41Å; F244-Q276 HydrophobicContact CZ-CB 4.3Å; F244-Q276 HydrophobicContact CZ-CG 3.78Å; C254-Q276 HydrophobicContact CB-CG 4.04Å; Q276-S294 PolarHBondContact N-O 3.27Å; Q276-S295 WeakPolarHBondContact O-CA 3.27Å; Q276-S295 PolarHBondContact OE1-OG 3.45Å; Q276-C296 PolarHBondContact O-N 3.19Å
277	Y	84.8	Confident	84.5	Confident	33 Å²	33	63.4 Å²	63.4	13%	0.129	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	98.7	174.8	176.5	-113.1	0	0	0	108.8	V23 M55 S279 I280 V282 P286 F289 C296	V23-Y277 HydrophobicContact CG1-CE1 4.47Å; M55-Y277 HydrophobicContact CE-CD2 4.25Å; M55-Y277 HydrophobicContact CE-CE1 4.43Å; M55-Y277 HydrophobicContact CE-CE2 3.91Å; M55-Y277 HydrophobicContact SD-CD1 4.22Å; M55-Y277 HydrophobicContact SD-CE1 3.62Å; M55-Y277 HydrophobicContact SD-CE2 4.07Å; M55-Y277 VanDerWaalsContact SD-CZ 3.52Å; Y277-S279 PolarHBondContact O-N 2.72Å; Y277-I280 HydrophobicContact CD1-CD1 4.16Å; Y277-I280 HydrophobicContact CD1-CG1 4.05Å; Y277-I280 PolarHBondContact N-O 2.98Å; Y277-I280 VanDerWaalsContact O-CG1 3.25Å; Y277-I280 WeakPolarHBondContact O-CG1 3.36Å; Y277-I280 PolarHBondContact O-N 2.85Å; Y277-I280 VanDerWaalsContact O-N 3.08Å; Y277-V282 HydrophobicContact CD1-CG1 4.35Å; Y277-P286 HydrophobicContact CD2-CG 4.33Å; Y277-P286 HydrophobicContact CE1-CG 4.16Å; Y277-P286 HydrophobicContact CE2-CG 3.9Å; Y277-F289 HydrophobicContact CD2-CD1 4.44Å; Y277-F289 HydrophobicContact CD2-CE1 4.4Å; Y277-F289 HydrophobicContact CE2-CD1 4.1Å; Y277-F289 HydrophobicContact CE2-CD2 4.26Å; Y277-F289 AromaticContact CE2-CE1 3.78Å; Y277-F289 HydrophobicContact CE2-CE1 3.78Å; Y277-F289 AromaticContact CE2-CE2 3.95Å; Y277-F289 HydrophobicContact CE2-CE2 3.95Å; Y277-F289 HydrophobicContact CE2-CG 4.35Å; Y277-F289 AromaticContact CE2-CZ 3.71Å; Y277-F289 HydrophobicContact CE2-CZ 3.71Å; Y277-C296 HydrophobicContact CD2-CB 3.89Å
278	G	80.1	Confident	84.1	Confident	40 Å²	40	65.5 Å²	65.5	41%	0.412	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-124.9	-166.9	0	0	0	0	0	110.7	F244	F244-G278 WeakPolarHBondContact CE1-O 3.24Å
279	S	82.3	Confident	83.7	Confident	9 Å²	9	64.2 Å²	64.2	6%	0.063	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	10.4	178.6	48.8	0	0	0	0	114.8	E77 F244 N245 Y277	E77-S279 VanDerWaalsContact OE1-CB 3.29Å; E77-S279 WeakPolarHBondContact OE1-CB 3.43Å; E77-S279 PolarHBondContact OE1-OG 3.1Å; F244-S279 CarbonylContact C-O 3.54Å; F244-S279 WeakPolarHBondContact CA-O 3.44Å; N245-S279 PolarHBondContact N-O 2.75Å; Y277-S279 PolarHBondContact O-N 2.72Å
280	I	87.3	Confident	83.7	Confident	33 Å²	33	55 Å²	55	17%	0.169	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.1	-177.1	70.7	165.2	0	0	0	113.4	I53 N245 Y277 V282	I53-I280 HydrophobicContact CD1-CG2 4.26Å; N245-I280 HydrophobicContact CB-CG2 4.17Å; Y277-I280 HydrophobicContact CD1-CD1 4.16Å; Y277-I280 HydrophobicContact CD1-CG1 4.05Å; Y277-I280 PolarHBondContact N-O 2.98Å; Y277-I280 VanDerWaalsContact O-CG1 3.25Å; Y277-I280 WeakPolarHBondContact O-CG1 3.36Å; Y277-I280 PolarHBondContact O-N 2.85Å; Y277-I280 VanDerWaalsContact O-N 3.08Å; I280-V282 HydrophobicContact CD1-CG1 3.82Å; I280-V282 HydrophobicContact CG1-CG1 4.06Å
281	C	90.8	Very high	83.9	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.4	176	-57.4	0	0	0	0	111.6	N245 N246 C254 K274	N245-C281 PolarHBondContact O-N 3.39Å; N246-C281 HydrophobicContact CB-CB 4.34Å; C254-C281 WeakPolarHBondContact CA-SG 3.47Å; C254-C281 HydrophobicContact CB-CB 3.8Å; C254-C281 WeakPolarHBondContact CB-SG 3.32Å; C254-C281 WeakPolarHBondContact SG-CA 3.43Å; C254-C281 WeakPolarHBondContact SG-CB 3.33Å; C254-C281 CovalentContact SG-SG 2.04Å; C254-C281 PolarHBondContact SG-SG 3.02Å; K274-C281 HydrophobicContact CB-CB 3.98Å; K274-C281 HydrophobicContact CD-CB 3.82Å
282	V	87.9	Confident	84	Confident	28 Å²	28	50.4 Å²	50.4	17%	0.17	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.8	-177.2	-62.9	0	0	0	0	112.4	K274 Y275 Y277 I280 Q284	K274-V282 CarbonylContact C-O 3.57Å; K274-V282 VanDerWaalsContact CA-O 3.31Å; K274-V282 WeakPolarHBondContact CA-O 3.12Å; K274-V282 WeakPolarHBondContact CB-O 3.21Å; Y275-V282 PolarHBondContact N-O 3.23Å; Y275-V282 PolarHBondContact O-N 3.04Å; Y277-V282 HydrophobicContact CD1-CG1 4.35Å; I280-V282 HydrophobicContact CD1-CG1 3.82Å; I280-V282 HydrophobicContact CG1-CG1 4.06Å; V282-Q284 VanDerWaalsContact C-N 3.3Å; V282-Q284 VanDerWaalsContact CG2-O 3.29Å; V282-Q284 WeakPolarHBondContact CG2-O 3.49Å; V282-Q284 PolarHBondContact O-N 2.72Å
283	A	86.5	Confident	84	Confident	67 Å²	67	47 Å²	47	55%	0.554	28%	0.283	S	S	*	.	S	Bend	trans	-71.7	-24.6	178.8	0	0	0	0	0	113.3	Y275	Y275-A283 WeakPolarHBondContact CE2-O 3.36Å
284	Q	84.5	Confident	84	Confident	164 Å²	164	48.2 Å²	48.2	77%	0.766	29%	0.29	S	S	*	.	S	Bend	trans	-143.4	145.3	176	-60.5	-178.1	8.5	0	0	108.3	V282	V282-Q284 VanDerWaalsContact C-N 3.3Å; V282-Q284 VanDerWaalsContact CG2-O 3.29Å; V282-Q284 WeakPolarHBondContact CG2-O 3.49Å; V282-Q284 PolarHBondContact O-N 2.72Å
285	C	83.2	Confident	83.9	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.176	29%	0.291	C	S	.	.			trans	-71.9	150.4	174.2	-62.3	0	0	0	0	111.2	F289 C296	C285-F289 HydrophobicContact CB-CB 4.12Å; C285-C296 WeakPolarHBondContact CA-SG 3.31Å; C285-C296 HydrophobicContact CB-CB 3.81Å; C285-C296 WeakPolarHBondContact CB-SG 3.29Å; C285-C296 VanDerWaalsContact SG-CA 3.51Å; C285-C296 WeakPolarHBondContact SG-CB 3.47Å; C285-C296 CovalentContact SG-SG 2.04Å; C285-C296 PolarHBondContact SG-SG 2.79Å
286	P	78.6	Confident	83.8	Confident	40 Å²	40	46.8 Å²	46.8	26%	0.26	29%	0.29	S	S	.	.			trans	-58.8	155	172.9	-22.1	33.2	0	0	0	112.1	Y277 N288 F289	Y277-P286 HydrophobicContact CD2-CG 4.33Å; Y277-P286 HydrophobicContact CE1-CG 4.16Å; Y277-P286 HydrophobicContact CE2-CG 3.9Å; P286-N288 PolarHBondContact O-N 3.22Å; P286-F289 HydrophobicContact CB-CD2 4.02Å; P286-F289 HydrophobicContact CG-CD2 4.27Å; P286-F289 WeakPolarHBondContact O-CB 3.28Å; P286-F289 PolarHBondContact O-N 3Å
287	P	70.8	Confident	83.4	Confident	116 Å²	116	46.4 Å²	46.4	75%	0.753	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.2	-168	23.6	-35	0	0	0	115.7
288	N	74.4	Confident	82.9	Confident	136 Å²	136	54 Å²	54	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	15.7	176.3	-65.6	-27.4	0	0	0	113.2	P286	P286-N288 PolarHBondContact O-N 3.22Å
289	F	77.7	Confident	82.7	Confident	49 Å²	49	58.2 Å²	58.2	22%	0.215	33%	0.332	C	S	.	.			trans	-123	155.9	179.2	-76.5	-104.9	0	0	0	111.1	Y277 C285 P286 C296 V297 R298	Y277-F289 HydrophobicContact CD2-CD1 4.44Å; Y277-F289 HydrophobicContact CD2-CE1 4.4Å; Y277-F289 HydrophobicContact CE2-CD1 4.1Å; Y277-F289 HydrophobicContact CE2-CD2 4.26Å; Y277-F289 AromaticContact CE2-CE1 3.78Å; Y277-F289 HydrophobicContact CE2-CE1 3.78Å; Y277-F289 AromaticContact CE2-CE2 3.95Å; Y277-F289 HydrophobicContact CE2-CE2 3.95Å; Y277-F289 HydrophobicContact CE2-CG 4.35Å; Y277-F289 AromaticContact CE2-CZ 3.71Å; Y277-F289 HydrophobicContact CE2-CZ 3.71Å; C285-F289 HydrophobicContact CB-CB 4.12Å; P286-F289 HydrophobicContact CB-CD2 4.02Å; P286-F289 HydrophobicContact CG-CD2 4.27Å; P286-F289 WeakPolarHBondContact O-CB 3.28Å; P286-F289 PolarHBondContact O-N 3Å; F289-C296 HydrophobicContact CB-CB 4.37Å; F289-C296 HydrophobicContact CD1-CB 4.32Å; F289-V297 WeakPolarHBondContact CA-O 3.11Å; F289-V297 WeakPolarHBondContact CD1-O 3.48Å; F289-R298 HydrophobicContact CD1-CB 4.48Å; F289-R298 HydrophobicContact CE1-CB 4.19Å
290	V	82.4	Confident	82.6	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.5	-178.9	-172.5	0	0	0	0	108.7	V297 E306 K313 C315	V290-V297 HydrophobicContact CB-CG2 4.35Å; V290-V297 PolarHBondContact N-O 3.1Å; V290-V297 WeakPolarHBondContact O-CG2 3.35Å; V290-V297 PolarHBondContact O-N 2.96Å; V290-E306 HydrophobicContact CG1-CG 3.99Å; V290-E306 HydrophobicContact CG2-CG 4.09Å; V290-K313 HydrophobicContact CB-CB 4.35Å; V290-K313 HydrophobicContact CG1-CB 4.03Å; V290-K313 HydrophobicContact CG2-CB 4.1Å; V290-K313 HydrophobicContact CG2-CD 4.44Å; V290-C315 WeakPolarHBondContact CG1-SG 3.3Å
291	V	88	Confident	82.4	Confident	13 Å²	13	59.9 Å²	59.9	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.5	173.5	176.1	0	0	0	0	109.8	Y275 K313 R314 C315	Y275-V291 HydrophobicContact CD1-CG1 3.72Å; Y275-V291 HydrophobicContact CD1-CG2 4.22Å; Y275-V291 HydrophobicContact CE1-CB 4.41Å; Y275-V291 HydrophobicContact CE1-CG1 3.42Å; Y275-V291 VanDerWaalsContact CE1-CG1 3.42Å; Y275-V291 HydrophobicContact CE1-CG2 4.03Å; V291-K313 PolarHBondContact N-O 2.89Å; V291-R314 HydrophobicContact CB-CG 4.28Å; V291-R314 CarbonylContact O-C 3.59Å; V291-R314 VanDerWaalsContact O-CA 3.28Å; V291-R314 WeakPolarHBondContact O-CA 3.12Å; V291-C315 PolarHBondContact O-N 2.83Å
292	D	86.2	Confident	81.7	Confident	27 Å²	27	64.3 Å²	64.3	14%	0.144	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.7	162.1	-172.3	17.7	0	0	0	110	S294 S295 V297 P301 K304 C315	D292-S294 PolarHBondContact O-N 2.91Å; D292-S295 PolarHBondContact N-O 3.47Å; D292-S295 PolarHBondContact O-N 3.23Å; D292-V297 HydrophobicContact CB-CG1 4.27Å; D292-V297 HydrophobicContact CB-CG2 3.79Å; D292-P301 WeakPolarHBondContact OD2-CD 3.26Å; D292-P301 VanDerWaalsContact OD2-CG 3.28Å; D292-P301 WeakPolarHBondContact OD2-CG 3.18Å; D292-K304 WeakPolarHBondContact OD1-CD 3.46Å; D292-K304 IonicContact OD1-NZ 3.63Å; D292-K304 PolarHBondContact OD1-NZ 2.97Å; D292-K304 IonicContact OD2-NZ 2.61Å; D292-K304 PolarHBondContact OD2-NZ 2.9Å; D292-C315 HydrophobicContact CB-CB 3.89Å
293	G	84.6	Confident	81.3	Confident	53 Å²	53	67.4 Å²	67.4	55%	0.546	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-93.5	-177	0	0	0	0	0	113.6
294	S	85	Confident	81.2	Confident	44 Å²	44	66.4 Å²	66.4	31%	0.308	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	12.3	-178.6	56.7	0	0	0	0	113.4	Y275 Q276 D292	Y275-S294 CarbonylContact C-O 3.6Å; Y275-S294 VanDerWaalsContact CA-O 3.25Å; Y275-S294 WeakPolarHBondContact CA-O 3.28Å; Q276-S294 PolarHBondContact N-O 3.27Å; D292-S294 PolarHBondContact O-N 2.91Å
295	S	88.5	Confident	81.1	Confident	29 Å²	29	62.1 Å²	62.1	20%	0.203	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.6	-167.4	-47.1	0	0	0	0	111.7	Q276 D292	Q276-S295 WeakPolarHBondContact O-CA 3.27Å; Q276-S295 PolarHBondContact OE1-OG 3.45Å; D292-S295 PolarHBondContact N-O 3.47Å; D292-S295 PolarHBondContact O-N 3.23Å
296	C	86.7	Confident	81	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.095	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	105.9	179.1	-60.6	0	0	0	0	110.1	Y275 Q276 Y277 C285 F289	Y275-C296 VanDerWaalsContact CB-SG 3.54Å; Q276-C296 PolarHBondContact O-N 3.19Å; Y277-C296 HydrophobicContact CD2-CB 3.89Å; C285-C296 WeakPolarHBondContact CA-SG 3.31Å; C285-C296 HydrophobicContact CB-CB 3.81Å; C285-C296 WeakPolarHBondContact CB-SG 3.29Å; C285-C296 VanDerWaalsContact SG-CA 3.51Å; C285-C296 WeakPolarHBondContact SG-CB 3.47Å; C285-C296 CovalentContact SG-SG 2.04Å; C285-C296 PolarHBondContact SG-SG 2.79Å; F289-C296 HydrophobicContact CB-CB 4.37Å; F289-C296 HydrophobicContact CD1-CB 4.32Å
297	V	80.8	Confident	81.3	Confident	41 Å²	41	65.1 Å²	65.1	25%	0.248	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	153.9	178.8	-63.7	0	0	0	0	111	F289 V290 D292 N299	F289-V297 WeakPolarHBondContact CA-O 3.11Å; F289-V297 WeakPolarHBondContact CD1-O 3.48Å; V290-V297 HydrophobicContact CB-CG2 4.35Å; V290-V297 PolarHBondContact N-O 3.1Å; V290-V297 WeakPolarHBondContact O-CG2 3.35Å; V290-V297 PolarHBondContact O-N 2.96Å; D292-V297 HydrophobicContact CB-CG1 4.27Å; D292-V297 HydrophobicContact CB-CG2 3.79Å; V297-N299 WeakPolarHBondContact CB-O 3.25Å; V297-N299 VanDerWaalsContact CG2-O 3.24Å; V297-N299 WeakPolarHBondContact CG2-O 3.46Å
298	R	73.8	Confident	81.7	Confident	193 Å²	193	64.5 Å²	64.5	73%	0.728	36%	0.363	S	S	*	.	S	Bend	trans	-77	-41.9	179	-167.3	177.5	-173.7	177.3	1.6	112	F289	F289-R298 HydrophobicContact CD1-CB 4.48Å; F289-R298 HydrophobicContact CE1-CB 4.19Å
299	N	75.9	Confident	81.7	Confident	127 Å²	127	62.2 Å²	62.2	68%	0.679	35%	0.346	S	S	*	.	S	Bend	trans	-127.5	156.9	175.4	-59.8	-3	0	0	0	108.2	V297	V297-N299 WeakPolarHBondContact CB-O 3.25Å; V297-N299 VanDerWaalsContact CG2-O 3.24Å; V297-N299 WeakPolarHBondContact CG2-O 3.46Å
300	C	81.3	Confident	81.2	Confident	33 Å²	33	67.4 Å²	67.4	22%	0.223	38%	0.376	C	S	.	.			trans	-72.7	151.2	171.5	-65.4	0	0	0	0	112.7	K304 C315	C300-K304 HydrophobicContact CB-CB 4.22Å; C300-C315 WeakPolarHBondContact CA-SG 3.5Å; C300-C315 HydrophobicContact CB-CB 3.82Å; C300-C315 WeakPolarHBondContact CB-SG 3.3Å; C300-C315 WeakPolarHBondContact SG-CA 3.37Å; C300-C315 WeakPolarHBondContact SG-CB 3.24Å; C300-C315 CovalentContact SG-SG 2.04Å; C300-C315 PolarHBondContact SG-SG 3Å
301	P	82.6	Confident	80.6	Confident	45 Å²	45	70.6 Å²	70.6	29%	0.292	41%	0.409	S	S	.	.			trans	-53.6	156	164.1	-29.1	37.6	0	0	0	113.5	D292 D303 K304	D292-P301 WeakPolarHBondContact OD2-CD 3.26Å; D292-P301 VanDerWaalsContact OD2-CG 3.28Å; D292-P301 WeakPolarHBondContact OD2-CG 3.18Å; P301-D303 WeakPolarHBondContact CB-OD1 3.48Å; P301-D303 PolarHBondContact O-N 2.71Å; P301-D303 VanDerWaalsContact O-N 3.14Å; P301-K304 HydrophobicContact CB-CD 4.33Å; P301-K304 HydrophobicContact CB-CG 4.4Å; P301-K304 HydrophobicContact CG-CD 4.12Å; P301-K304 PolarHBondContact O-N 3.09Å
302	A	76	Confident	79.8	Confident	103 Å²	103	71.6 Å²	71.6	85%	0.851	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.1	-174.5	0	0	0	0	0	115.1	C322	A302-C322 PolarHBondContact O-SG 3.27Å
303	D	80	Confident	79.5	Confident	92 Å²	92	74.4 Å²	74.4	49%	0.492	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.9	172.8	64.6	-62.4	0	0	0	113.7	P301 C318 C322	P301-D303 WeakPolarHBondContact CB-OD1 3.48Å; P301-D303 PolarHBondContact O-N 2.71Å; P301-D303 VanDerWaalsContact O-N 3.14Å; D303-C318 PolarHBondContact O-N 2.99Å; D303-C318 PolarHBondContact O-SG 3.41Å; D303-C318 VanDerWaalsContact O-SG 3.41Å; D303-C322 PolarHBondContact O-SG 3.18Å
304	K	83.9	Confident	79.6	Confident	47 Å²	47	75.3 Å²	75.3	20%	0.204	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.6	-174.7	-53.8	179.9	-165.8	169.1	0	112.1	D292 C300 P301 C315 E316 C322	D292-K304 WeakPolarHBondContact OD1-CD 3.46Å; D292-K304 IonicContact OD1-NZ 3.63Å; D292-K304 PolarHBondContact OD1-NZ 2.97Å; D292-K304 IonicContact OD2-NZ 2.61Å; D292-K304 PolarHBondContact OD2-NZ 2.9Å; C300-K304 HydrophobicContact CB-CB 4.22Å; P301-K304 HydrophobicContact CB-CD 4.33Å; P301-K304 HydrophobicContact CB-CG 4.4Å; P301-K304 HydrophobicContact CG-CD 4.12Å; P301-K304 PolarHBondContact O-N 3.09Å; K304-C315 HydrophobicContact CB-CB 3.99Å; K304-C315 HydrophobicContact CD-CB 3.97Å; K304-E316 CarbonylContact C-O 3.58Å; K304-E316 VanDerWaalsContact CA-O 3.28Å; K304-E316 WeakPolarHBondContact CA-O 3.07Å; K304-C322 PolarHBondContact N-SG 3.32Å; K304-C322 VanDerWaalsContact N-SG 3.37Å
305	M	81.9	Confident	79.7	Confident	73 Å²	73	73.8 Å²	73.8	36%	0.36	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.7	174.6	58.5	-179.8	-70.6	0	0	111.2	V307 C315 E316 C318 P323	M305-V307 HydrophobicContact CE-CG2 4.19Å; M305-V307 HydrophobicContact CG-CG2 4.03Å; M305-C315 WeakPolarHBondContact O-CA 3.48Å; M305-E316 PolarHBondContact N-O 3.3Å; M305-E316 PolarHBondContact O-N 3.4Å; M305-C318 PolarHBondContact N-SG 3Å; M305-P323 HydrophobicContact CE-CG 4.14Å; M305-P323 HydrophobicContact SD-CG 3.87Å
306	E	82.5	Confident	79.6	Confident	95 Å²	95	75.4 Å²	75.4	44%	0.444	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.7	171.8	-162.2	-164.2	117.2	0	0	110	V290 K313 R314	V290-E306 HydrophobicContact CG1-CG 3.99Å; V290-E306 HydrophobicContact CG2-CG 4.09Å; E306-K313 VanDerWaalsContact CD-NZ 3.26Å; E306-K313 HydrophobicContact CG-CB 4.27Å; E306-K313 WeakPolarHBondContact OE1-CG 3.14Å; E306-K313 IonicContact OE1-NZ 3.53Å; E306-K313 PolarHBondContact OE1-NZ 3Å; E306-K313 IonicContact OE2-NZ 2.7Å; E306-K313 PolarHBondContact OE2-NZ 3.24Å; E306-K313 VanDerWaalsContact OE2-NZ 3.16Å; E306-R314 CarbonylContact C-O 3.42Å; E306-R314 WeakPolarHBondContact CA-O 3.2Å
307	V	83.8	Confident	79.5	Confident	35 Å²	35	79.3 Å²	79.3	21%	0.212	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.6	178	-168.3	0	0	0	0	108.7	M305 K309 R314 E316	M305-V307 HydrophobicContact CE-CG2 4.19Å; M305-V307 HydrophobicContact CG-CG2 4.03Å; V307-K309 HydrophobicContact CG1-CG 4.1Å; V307-K309 PolarHBondContact O-N 2.54Å; V307-R314 PolarHBondContact N-O 2.87Å; V307-R314 PolarHBondContact O-N 3.03Å; V307-E316 HydrophobicContact CB-CG 4.49Å; V307-E316 HydrophobicContact CG2-CB 4.1Å; V307-E316 HydrophobicContact CG2-CG 4.19Å
308	D	80.6	Confident	79.4	Confident	103 Å²	103	78.3 Å²	78.3	55%	0.551	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	120.6	165.7	-170.5	-29.1	0	0	0	109.2	G311 A312	D308-G311 VanDerWaalsContact OD1-CA 3.25Å; D308-G311 WeakPolarHBondContact OD1-CA 3.27Å; D308-G311 PolarHBondContact OD1-N 3.27Å; D308-A312 PolarHBondContact OD1-N 3.38Å
309	K	73.4	Confident	79.3	Confident	88 Å²	88	80.8 Å²	80.8	38%	0.383	44%	0.44	S	S	.	.	S	Bend	trans	-127.6	113.9	165.6	-70.9	-172.4	-177.9	171.2	0	110.3	V307 A312 E316	V307-K309 HydrophobicContact CG1-CG 4.1Å; V307-K309 PolarHBondContact O-N 2.54Å; K309-A312 PolarHBondContact N-O 3.06Å; K309-E316 WeakPolarHBondContact CD-OE1 3.46Å; K309-E316 VanDerWaalsContact CE-OE1 3.31Å; K309-E316 WeakPolarHBondContact CE-OE1 3.29Å; K309-E316 WeakPolarHBondContact CE-OE2 3.36Å; K309-E316 IonicContact NZ-OE1 2.77Å; K309-E316 PolarHBondContact NZ-OE1 3.49Å; K309-E316 IonicContact NZ-OE2 3.29Å; K309-E316 PolarHBondContact NZ-OE2 3.26Å
310	N	68.1	Low	79	Confident	158 Å²	158	77.7 Å²	77.7	85%	0.845	44%	0.438	S	S	*	.	S	Bend	trans	64	36.2	179.3	-56	4.3	0	0	0	113.8	A312	N310-A312 VanDerWaalsContact C-N 3.33Å
311	G	68.8	Low	78.3	Confident	69 Å²	69	80.3 Å²	80.3	71%	0.711	45%	0.449	S	S	*	.	S	Bend	trans	79.7	16.2	179.9	0	0	0	0	0	113.5	D308	D308-G311 VanDerWaalsContact OD1-CA 3.25Å; D308-G311 WeakPolarHBondContact OD1-CA 3.27Å; D308-G311 PolarHBondContact OD1-N 3.27Å
312	A	71.9	Confident	77.8	Confident	35 Å²	35	79.6 Å²	79.6	29%	0.289	45%	0.445	S	S	.	.			trans	-127.3	122.1	176.5	0	0	0	0	0	109.2	D308 K309 N310 R314	D308-A312 PolarHBondContact OD1-N 3.38Å; K309-A312 PolarHBondContact N-O 3.06Å; N310-A312 VanDerWaalsContact C-N 3.33Å; A312-R314 PolarHBondContact O-N 2.94Å
313	K	79.6	Confident	77.7	Confident	86 Å²	86	77.9 Å²	77.9	37%	0.374	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.8	173.1	-63.6	166	155.7	-83.7	0	109.6	V290 V291 E306	V290-K313 HydrophobicContact CB-CB 4.35Å; V290-K313 HydrophobicContact CG1-CB 4.03Å; V290-K313 HydrophobicContact CG2-CB 4.1Å; V290-K313 HydrophobicContact CG2-CD 4.44Å; V291-K313 PolarHBondContact N-O 2.89Å; E306-K313 VanDerWaalsContact CD-NZ 3.26Å; E306-K313 HydrophobicContact CG-CB 4.27Å; E306-K313 WeakPolarHBondContact OE1-CG 3.14Å; E306-K313 IonicContact OE1-NZ 3.53Å; E306-K313 PolarHBondContact OE1-NZ 3Å; E306-K313 IonicContact OE2-NZ 2.7Å; E306-K313 PolarHBondContact OE2-NZ 3.24Å; E306-K313 VanDerWaalsContact OE2-NZ 3.16Å
314	R	86.7	Confident	77.7	Confident	71 Å²	71	77.6 Å²	77.6	27%	0.268	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.1	179.2	-59	179.7	-175.7	-107.9	-10.1	111.2	V291 E306 V307 A312	V291-R314 HydrophobicContact CB-CG 4.28Å; V291-R314 CarbonylContact O-C 3.59Å; V291-R314 VanDerWaalsContact O-CA 3.28Å; V291-R314 WeakPolarHBondContact O-CA 3.12Å; E306-R314 CarbonylContact C-O 3.42Å; E306-R314 WeakPolarHBondContact CA-O 3.2Å; V307-R314 PolarHBondContact N-O 2.87Å; V307-R314 PolarHBondContact O-N 3.03Å; A312-R314 PolarHBondContact O-N 2.94Å
315	C	86.8	Confident	77.6	Confident	12 Å²	12	79.7 Å²	79.7	8%	0.081	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123	168.6	-58.6	0	0	0	0	109.7	V290 V291 D292 C300 K304 M305	V290-C315 WeakPolarHBondContact CG1-SG 3.3Å; V291-C315 PolarHBondContact O-N 2.83Å; D292-C315 HydrophobicContact CB-CB 3.89Å; C300-C315 WeakPolarHBondContact CA-SG 3.5Å; C300-C315 HydrophobicContact CB-CB 3.82Å; C300-C315 WeakPolarHBondContact CB-SG 3.3Å; C300-C315 WeakPolarHBondContact SG-CA 3.37Å; C300-C315 WeakPolarHBondContact SG-CB 3.24Å; C300-C315 CovalentContact SG-SG 2.04Å; C300-C315 PolarHBondContact SG-SG 3Å; K304-C315 HydrophobicContact CB-CB 3.99Å; K304-C315 HydrophobicContact CD-CB 3.97Å; M305-C315 WeakPolarHBondContact O-CA 3.48Å
316	E	86.4	Confident	77.9	Confident	64 Å²	64	76.8 Å²	76.8	30%	0.299	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.9	173.8	-61.9	-160.4	155.8	0	0	111.1	K304 M305 V307 K309 C318	K304-E316 CarbonylContact C-O 3.58Å; K304-E316 VanDerWaalsContact CA-O 3.28Å; K304-E316 WeakPolarHBondContact CA-O 3.07Å; M305-E316 PolarHBondContact N-O 3.3Å; M305-E316 PolarHBondContact O-N 3.4Å; V307-E316 HydrophobicContact CB-CG 4.49Å; V307-E316 HydrophobicContact CG2-CB 4.1Å; V307-E316 HydrophobicContact CG2-CG 4.19Å; K309-E316 WeakPolarHBondContact CD-OE1 3.46Å; K309-E316 VanDerWaalsContact CE-OE1 3.31Å; K309-E316 WeakPolarHBondContact CE-OE1 3.29Å; K309-E316 WeakPolarHBondContact CE-OE2 3.36Å; K309-E316 IonicContact NZ-OE1 2.77Å; K309-E316 PolarHBondContact NZ-OE1 3.49Å; K309-E316 IonicContact NZ-OE2 3.29Å; K309-E316 PolarHBondContact NZ-OE2 3.26Å; E316-C318 PolarHBondContact O-N 3.42Å
317	P	84.5	Confident	78.2	Confident	96 Å²	96	75.2 Å²	75.2	62%	0.623	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	135.7	178.5	-26.7	35.4	0	0	0	113
318	C	79.9	Confident	78.3	Confident	20 Å²	20	73.6 Å²	73.6	14%	0.135	41%	0.408	C	S	.	.			trans	-70.5	144.9	-177.8	-61.4	0	0	0	0	112.1	D303 M305 E316 G320 C322	D303-C318 PolarHBondContact O-N 2.99Å; D303-C318 PolarHBondContact O-SG 3.41Å; D303-C318 VanDerWaalsContact O-SG 3.41Å; M305-C318 PolarHBondContact N-SG 3Å; E316-C318 PolarHBondContact O-N 3.42Å; C318-G320 VanDerWaalsContact C-N 3.25Å; C318-G320 CarbonylContact C-O 3.59Å; C318-G320 WeakPolarHBondContact CB-O 3.36Å; C318-G320 PolarHBondContact O-N 3.27Å; C318-C322 HydrophobicContact CB-CB 3.93Å; C318-C322 WeakPolarHBondContact CB-SG 3.37Å; C318-C322 WeakPolarHBondContact SG-CA 3.24Å; C318-C322 WeakPolarHBondContact SG-CB 3.42Å; C318-C322 CovalentContact SG-SG 2.03Å; C318-C322 PolarHBondContact SG-SG 2.87Å
319	R	70.1	Confident	78.5	Confident	244 Å²	244	68.9 Å²	68.9	92%	0.921	38%	0.383	S	S	*	.	S	Bend	trans	-82.2	72.6	176.8	-69.4	-172.5	177.1	-164.5	-1.2	110.2
320	G	69.6	Low	78.3	Confident	62 Å²	62	68.8 Å²	68.8	64%	0.639	38%	0.384	S	S	*	.	S	Bend	trans	96.4	-142.8	-164.9	0	0	0	0	0	110.1	C318	C318-G320 VanDerWaalsContact C-N 3.25Å; C318-G320 CarbonylContact C-O 3.59Å; C318-G320 WeakPolarHBondContact CB-O 3.36Å; C318-G320 PolarHBondContact O-N 3.27Å
321	L	66.8	Low	78	Confident	88 Å²	88	67.6 Å²	67.6	46%	0.461	37%	0.371	S	S	.	.	S	Bend	trans	-63.2	144.9	174.8	-67.3	171.3	0	0	0	111.3	T349 T383	L321-T349 HydrophobicContact CB-CG2 4.2Å; L321-T383 HydrophobicContact CD1-CG2 3.28Å
322	C	73.1	Confident	77.9	Confident	31 Å²	31	67 Å²	67	21%	0.209	35%	0.35	C	S	.	.			trans	-69.9	152.1	179.1	-72	0	0	0	0	113.1	A302 D303 K304 C318 K324 T349	A302-C322 PolarHBondContact O-SG 3.27Å; D303-C322 PolarHBondContact O-SG 3.18Å; K304-C322 PolarHBondContact N-SG 3.32Å; K304-C322 VanDerWaalsContact N-SG 3.37Å; C318-C322 HydrophobicContact CB-CB 3.93Å; C318-C322 WeakPolarHBondContact CB-SG 3.37Å; C318-C322 WeakPolarHBondContact SG-CA 3.24Å; C318-C322 WeakPolarHBondContact SG-CB 3.42Å; C318-C322 CovalentContact SG-SG 2.03Å; C318-C322 PolarHBondContact SG-SG 2.87Å; C322-K324 VanDerWaalsContact C-N 3.34Å; C322-K324 PolarHBondContact O-N 3.17Å; C322-T349 WeakPolarHBondContact O-CG2 3.2Å
323	P	72.9	Confident	77.5	Confident	67 Å²	67	74 Å²	74	44%	0.435	37%	0.374	S	S	.	.			trans	-62.8	82.3	-178.4	-26.4	37.4	0	0	0	115.3	M305 V325 T349	M305-P323 HydrophobicContact CE-CG 4.14Å; M305-P323 HydrophobicContact SD-CG 3.87Å; P323-V325 PolarHBondContact O-N 3.28Å; P323-T349 VanDerWaalsContact CA-OG1 3.29Å; P323-T349 WeakPolarHBondContact CA-OG1 3.46Å
324	K	80.7	Confident	76.9	Confident	85 Å²	85	70.6 Å²	70.6	37%	0.37	36%	0.361	S	S	.	.			trans	-81.9	107.5	169.6	-169.6	-162.6	177.1	-151.6	0	108.5	C322 C326 S344 I346 N347 C348 T349 V350	C322-K324 VanDerWaalsContact C-N 3.34Å; C322-K324 PolarHBondContact O-N 3.17Å; K324-C326 VanDerWaalsContact CD-SG 3.55Å; K324-C326 WeakPolarHBondContact CE-SG 3.48Å; K324-S344 PolarHBondContact NZ-O 2.86Å; K324-S344 VanDerWaalsContact NZ-O 3.13Å; K324-I346 PolarHBondContact NZ-O 3.27Å; K324-N347 VanDerWaalsContact CB-O 3.28Å; K324-N347 WeakPolarHBondContact CB-O 3.34Å; K324-N347 HydrophobicContact CD-CB 4.46Å; K324-C348 PolarHBondContact NZ-SG 3.41Å; K324-T349 PolarHBondContact N-OG1 3.47Å; K324-T349 PolarHBondContact O-N 2.94Å; K324-V350 PolarHBondContact O-N 3.41Å
325	V	82.4	Confident	76.7	Confident	91 Å²	91	75.9 Å²	75.9	55%	0.552	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.5	170.6	-174.8	0	0	0	0	108.7	P323 V350 K352	P323-V325 PolarHBondContact O-N 3.28Å; V325-V350 WeakPolarHBondContact CA-O 3.27Å; V325-V350 HydrophobicContact CG2-CB 4.26Å; V325-K352 HydrophobicContact CG1-CB 4.07Å; V325-K352 HydrophobicContact CG1-CD 4.41Å
326	C	88.3	Confident	77	Confident	13 Å²	13	75.5 Å²	75.5	9%	0.088	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.6	178.8	-57.1	0	0	0	0	109.5	K324 C348 V350 I351 K352	K324-C326 VanDerWaalsContact CD-SG 3.55Å; K324-C326 WeakPolarHBondContact CE-SG 3.48Å; C326-C348 HydrophobicContact CB-CB 3.73Å; C326-C348 WeakPolarHBondContact CB-SG 3.41Å; C326-C348 WeakPolarHBondContact SG-CB 3.48Å; C326-C348 CovalentContact SG-SG 2.01Å; C326-C348 PolarHBondContact SG-SG 2.75Å; C326-V350 PolarHBondContact N-O 2.94Å; C326-I351 HydrophobicContact CB-CD1 4.27Å; C326-I351 CarbonylContact O-C 3.59Å; C326-I351 WeakPolarHBondContact O-CA 3.34Å; C326-K352 PolarHBondContact O-N 3.01Å
327	D	88	Confident	77.3	Confident	61 Å²	61	72.4 Å²	72.4	33%	0.326	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.7	176.3	-73.6	-52	0	0	0	110.9	K331 F345 K352	D327-K331 HydrophobicContact CB-CB 4.25Å; D327-K331 HydrophobicContact CB-CD 3.93Å; D327-K331 HydrophobicContact CB-CG 4.44Å; D327-K331 WeakPolarHBondContact OD1-CE 3.13Å; D327-K331 IonicContact OD1-NZ 3.68Å; D327-K331 PolarHBondContact OD1-NZ 3.04Å; D327-K331 WeakPolarHBondContact OD2-CD 3.2Å; D327-K331 IonicContact OD2-NZ 2.69Å; D327-K331 PolarHBondContact OD2-NZ 3.15Å; D327-F345 WeakPolarHBondContact O-CE1 3.44Å; D327-K352 WeakPolarHBondContact CA-O 3.45Å
328	G	86.1	Confident	77.7	Confident	1 Å²	1	68 Å²	68	1%	0.01	34%	0.34	C	S	.	.			trans	-80.2	-172.6	-179.9	0	0	0	0	0	114.1	E330 K331 K352 S354	G328-E330 PolarHBondContact O-N 3.05Å; G328-K331 PolarHBondContact O-N 3.46Å; G328-K352 PolarHBondContact N-O 2.91Å; G328-S354 VanDerWaalsContact CA-O 3.28Å; G328-S354 WeakPolarHBondContact CA-O 2.99Å
329	T	84.1	Confident	78.2	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.025	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.1	-177.7	43.1	0	0	0	0	113.9	K331 Q332 V337 S354 D356	T329-K331 VanDerWaalsContact C-N 3.25Å; T329-K331 PolarHBondContact O-N 2.93Å; T329-Q332 PolarHBondContact O-N 2.97Å; T329-V337 HydrophobicContact CG2-CG2 4.02Å; T329-S354 PolarHBondContact N-O 3.1Å; T329-S354 VanDerWaalsContact N-O 3.08Å; T329-S354 PolarHBondContact OG1-O 2.85Å; T329-S354 PolarHBondContact OG1-OG 2.63Å; T329-D356 HydrophobicContact CG2-CB 4.19Å; T329-D356 PolarHBondContact OG1-OD2 2.65Å
330	E	70.4	Confident	79.2	Confident	86 Å²	86	60 Å²	60	40%	0.402	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.6	-178.9	-50.7	-147.8	144.1	0	0	115.7	G328 S354 Y390 K416	G328-E330 PolarHBondContact O-N 3.05Å; E330-S354 WeakPolarHBondContact CG-OG 3.43Å; E330-Y390 PolarHBondContact OE1-OH 2.84Å; E330-K416 WeakPolarHBondContact OE1-CD 3.34Å; E330-K416 WeakPolarHBondContact OE1-CE 3.37Å; E330-K416 IonicContact OE1-NZ 2.75Å; E330-K416 PolarHBondContact OE1-NZ 3.41Å; E330-K416 WeakPolarHBondContact OE2-CD 3.39Å; E330-K416 IonicContact OE2-NZ 2.79Å; E330-K416 PolarHBondContact OE2-NZ 2.98Å
331	K	61.4	Low	80.2	Confident	133 Å²	133	57.6 Å²	57.6	58%	0.578	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-8.9	174.4	-65.9	-165.3	-164.7	163.8	0	114.4	D327 G328 T329	D327-K331 HydrophobicContact CB-CB 4.25Å; D327-K331 HydrophobicContact CB-CD 3.93Å; D327-K331 HydrophobicContact CB-CG 4.44Å; D327-K331 WeakPolarHBondContact OD1-CE 3.13Å; D327-K331 IonicContact OD1-NZ 3.68Å; D327-K331 PolarHBondContact OD1-NZ 3.04Å; D327-K331 WeakPolarHBondContact OD2-CD 3.2Å; D327-K331 IonicContact OD2-NZ 2.69Å; D327-K331 PolarHBondContact OD2-NZ 3.15Å; G328-K331 PolarHBondContact O-N 3.46Å; T329-K331 VanDerWaalsContact C-N 3.25Å; T329-K331 PolarHBondContact O-N 2.93Å
332	Q	65.4	Low	81.4	Confident	56 Å²	56	53.4 Å²	53.4	26%	0.262	28%	0.278	S	S	.	.	S	Bend	trans	-66.3	160.9	171.2	-63.2	-76.1	1.2	0	0	108.6	T329 S334 S344	T329-Q332 PolarHBondContact O-N 2.97Å; Q332-S334 VanDerWaalsContact C-N 3.26Å; Q332-S334 WeakPolarHBondContact CB-O 3.14Å; Q332-S344 PolarHBondContact NE2-OG 2.69Å
333	K	65.3	Low	82.3	Confident	183 Å²	183	55.6 Å²	55.6	80%	0.796	29%	0.288	S	S	*	.	S	Bend	trans	-63.9	-37.9	171.2	-75.2	-168.2	173	-166.3	0	111.5
334	S	66.7	Low	83.1	Confident	14 Å²	14	54.9 Å²	54.9	10%	0.098	28%	0.284	C	S	.	.	S	Bend	trans	-90.9	145.2	176.5	172.3	0	0	0	0	111.5	Q332 T336 D338	Q332-S334 VanDerWaalsContact C-N 3.26Å; Q332-S334 WeakPolarHBondContact CB-O 3.14Å; S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 WeakPolarHBondContact OG-CG2 3.46Å; S334-T336 PolarHBondContact OG-N 3.36Å; S334-T336 PolarHBondContact OG-O 2.83Å; S334-D338 WeakPolarHBondContact CB-OD2 3.4Å; S334-D338 PolarHBondContact OG-OD2 2.81Å
335	K	83	Confident	83.6	Confident	182 Å²	182	50.8 Å²	50.8	79%	0.791	27%	0.267	S	S	*	.	S	Bend	trans	-87.5	5.6	179.1	-65.2	172	-175.4	159	0	113.4	D356	K335-D356 WeakPolarHBondContact O-CB 3.29Å
336	T	91.1	Very high	84	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.025	26%	0.258	C	S	.	.	S	Bend	trans	-132.6	159.1	177.4	-178.9	0	0	0	0	108.9	S334 D338 N341 D356 T358	S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 WeakPolarHBondContact OG-CG2 3.46Å; S334-T336 PolarHBondContact OG-N 3.36Å; S334-T336 PolarHBondContact OG-O 2.83Å; T336-D338 HydrophobicContact CG2-CB 4.44Å; T336-N341 PolarHBondContact O-ND2 3.45Å; T336-D356 CarbonylContact C-O 3.49Å; T336-D356 WeakPolarHBondContact CA-O 3.42Å; T336-D356 PolarHBondContact OG1-O 3.45Å; T336-D356 VanDerWaalsContact OG1-O 3.1Å; T336-T358 WeakPolarHBondContact CB-OG1 3.47Å; T336-T358 PolarHBondContact OG1-N 2.94Å; T336-T358 VanDerWaalsContact OG1-N 3.15Å; T336-T358 PolarHBondContact OG1-OG1 3Å
337	V	93.2	Very high	83.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.			trans	-69.3	136.4	160.7	179.4	0	0	0	0	108	T329 N341 I342 F345 L355 D356 F357 G361 L373 F381	T329-V337 HydrophobicContact CG2-CG2 4.02Å; V337-N341 WeakPolarHBondContact CA-OD1 3.39Å; V337-I342 HydrophobicContact CG1-CD1 3.68Å; V337-F345 HydrophobicContact CG2-CE2 4.24Å; V337-L355 HydrophobicContact CG2-CD2 4.03Å; V337-D356 PolarHBondContact N-O 3.48Å; V337-F357 HydrophobicContact CB-CD1 3.87Å; V337-F357 HydrophobicContact CB-CE1 3.54Å; V337-F357 HydrophobicContact CB-CZ 4.05Å; V337-F357 HydrophobicContact CG1-CD1 4.37Å; V337-F357 HydrophobicContact CG1-CE1 3.71Å; V337-F357 HydrophobicContact CG1-CZ 4.33Å; V337-F357 HydrophobicContact CG2-CD1 4.37Å; V337-F357 HydrophobicContact CG2-CE1 3.81Å; V337-F357 HydrophobicContact CG2-CE2 4.29Å; V337-F357 HydrophobicContact CG2-CZ 3.76Å; V337-G361 CarbonylContact O-C 3.54Å; V337-G361 WeakPolarHBondContact O-CA 3.44Å; V337-L373 HydrophobicContact CG1-CD2 4.42Å; V337-F381 HydrophobicContact CB-CZ 4.44Å; V337-F381 HydrophobicContact CG1-CE2 3.88Å; V337-F381 HydrophobicContact CG1-CZ 3.72Å; V337-F381 HydrophobicContact CG2-CZ 3.89Å
338	D	92.6	Very high	84	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.011	26%	0.261	C	S	.	.			trans	-155.6	176.1	-173.6	63.3	50.1	0	0	0	112.2	S334 T336 A340 N341 I342 I370	S334-D338 WeakPolarHBondContact CB-OD2 3.4Å; S334-D338 PolarHBondContact OG-OD2 2.81Å; T336-D338 HydrophobicContact CG2-CB 4.44Å; D338-A340 PolarHBondContact O-N 2.99Å; D338-A340 WeakPolarHBondContact OD1-CA 3.49Å; D338-A340 WeakPolarHBondContact OD1-CB 3.24Å; D338-A340 PolarHBondContact OD1-N 3.36Å; D338-N341 PolarHBondContact N-OD1 3.33Å; D338-N341 PolarHBondContact O-N 3.48Å; D338-N341 PolarHBondContact OD1-N 2.85Å; D338-N341 PolarHBondContact OD1-ND2 3.27Å; D338-N341 PolarHBondContact OD2-ND2 2.78Å; D338-I342 VanDerWaalsContact O-CB 3.25Å; D338-I342 WeakPolarHBondContact O-CB 3.34Å; D338-I342 WeakPolarHBondContact O-CG2 3.48Å; D338-I342 PolarHBondContact O-N 3.19Å; D338-I370 HydrophobicContact CB-CD1 3.88Å; D338-I370 HydrophobicContact CB-CG2 4Å; D338-I370 VanDerWaalsContact CG-CD1 3.43Å; D338-I370 VanDerWaalsContact OD2-CD1 3.27Å; D338-I370 WeakPolarHBondContact OD2-CD1 3.29Å
339	A	91.6	Very high	84.2	Confident	24 Å²	24	50.9 Å²	50.9	20%	0.198	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.9	-176.6	0	0	0	0	0	115	I370 P371 L373	A339-I370 HydrophobicContact CB-CG2 3.94Å; A339-P371 HydrophobicContact CB-CG 4.03Å; A339-P371 WeakPolarHBondContact CB-O 2.97Å; A339-L373 HydrophobicContact CB-CD1 4.41Å
340	A	90.1	Very high	84.4	Confident	73 Å²	73	52 Å²	52	60%	0.603	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-31.3	179.4	0	0	0	0	0	112.7	D338 I370	D338-A340 PolarHBondContact O-N 2.99Å; D338-A340 WeakPolarHBondContact OD1-CA 3.49Å; D338-A340 WeakPolarHBondContact OD1-CB 3.24Å; D338-A340 PolarHBondContact OD1-N 3.36Å; A340-I370 HydrophobicContact CB-CG2 4.07Å
341	N	90.9	Very high	85.4	Confident	11 Å²	11	48 Å²	48	6%	0.059	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-16.7	-177.1	75.4	50.6	0	0	0	115.4	T336 V337 D338 D343 S344	T336-N341 PolarHBondContact O-ND2 3.45Å; V337-N341 WeakPolarHBondContact CA-OD1 3.39Å; D338-N341 PolarHBondContact N-OD1 3.33Å; D338-N341 PolarHBondContact O-N 3.48Å; D338-N341 PolarHBondContact OD1-N 2.85Å; D338-N341 PolarHBondContact OD1-ND2 3.27Å; D338-N341 PolarHBondContact OD2-ND2 2.78Å; N341-D343 VanDerWaalsContact C-N 3.26Å; N341-D343 PolarHBondContact O-N 3.02Å; N341-D343 VanDerWaalsContact O-N 3.13Å; N341-S344 WeakPolarHBondContact O-CB 3.25Å; N341-S344 PolarHBondContact O-N 2.69Å; N341-S344 PolarHBondContact O-OG 3.35Å
342	I	92.9	Very high	86.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-51.4	-39.7	-175.9	-174.6	64.6	0	0	0	113.9	V337 D338 S344 F345 L373 K377 V380 F381	V337-I342 HydrophobicContact CG1-CD1 3.68Å; D338-I342 VanDerWaalsContact O-CB 3.25Å; D338-I342 WeakPolarHBondContact O-CB 3.34Å; D338-I342 WeakPolarHBondContact O-CG2 3.48Å; D338-I342 PolarHBondContact O-N 3.19Å; I342-S344 PolarHBondContact O-N 2.86Å; I342-F345 WeakPolarHBondContact O-CB 3.43Å; I342-F345 PolarHBondContact O-N 3.42Å; I342-L373 HydrophobicContact CB-CD1 4.02Å; I342-L373 HydrophobicContact CG1-CD1 4.12Å; I342-L373 HydrophobicContact CG2-CD1 3.88Å; I342-K377 HydrophobicContact CG1-CB 3.97Å; I342-K377 HydrophobicContact CG2-CB 4.43Å; I342-K377 HydrophobicContact CG2-CD 3.64Å; I342-V380 HydrophobicContact CD1-CG2 3.52Å; I342-V380 HydrophobicContact CG1-CG2 4.01Å; I342-F381 HydrophobicContact CD1-CD2 4.25Å; I342-F381 HydrophobicContact CD1-CE2 3.35Å; I342-F381 HydrophobicContact CD1-CZ 3.7Å
343	D	91.6	Very high	87.7	Confident	77 Å²	77	44.5 Å²	44.5	41%	0.412	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-69.7	-18.7	-176.6	-64.3	-18.1	0	0	0	112.9	N341 F345 I346 K377	N341-D343 VanDerWaalsContact C-N 3.26Å; N341-D343 PolarHBondContact O-N 3.02Å; N341-D343 VanDerWaalsContact O-N 3.13Å; D343-F345 PolarHBondContact O-N 2.88Å; D343-I346 HydrophobicContact CB-CD1 4Å; D343-I346 WeakPolarHBondContact O-CB 3.39Å; D343-I346 WeakPolarHBondContact O-CD1 2.96Å; D343-I346 VanDerWaalsContact O-CG1 3.24Å; D343-I346 WeakPolarHBondContact O-CG1 3.46Å; D343-I346 PolarHBondContact O-N 2.92Å; D343-K377 WeakPolarHBondContact OD1-CE 3.37Å; D343-K377 IonicContact OD1-NZ 3.25Å; D343-K377 PolarHBondContact OD1-NZ 3.34Å; D343-K377 IonicContact OD2-NZ 3.73Å; D343-K377 PolarHBondContact OD2-NZ 3.33Å
344	S	90.1	Very high	88.9	Confident	52 Å²	52	35.8 Å²	35.8	36%	0.364	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.2	-25.3	172.4	71.6	0	0	0	0	112.5	K324 Q332 N341 I342 I346 C348	K324-S344 PolarHBondContact NZ-O 2.86Å; K324-S344 VanDerWaalsContact NZ-O 3.13Å; Q332-S344 PolarHBondContact NE2-OG 2.69Å; N341-S344 WeakPolarHBondContact O-CB 3.25Å; N341-S344 PolarHBondContact O-N 2.69Å; N341-S344 PolarHBondContact O-OG 3.35Å; I342-S344 PolarHBondContact O-N 2.86Å; S344-I346 VanDerWaalsContact C-N 3.32Å; S344-I346 PolarHBondContact O-N 2.67Å; S344-C348 PolarHBondContact O-SG 2.91Å
345	F	91	Very high	90.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-82.8	-0.1	-179.5	-61.9	-71.6	0	0	0	114.5	D327 V337 I342 D343 N347 C348 I351 L355 V380 F381	D327-F345 WeakPolarHBondContact O-CE1 3.44Å; V337-F345 HydrophobicContact CG2-CE2 4.24Å; I342-F345 WeakPolarHBondContact O-CB 3.43Å; I342-F345 PolarHBondContact O-N 3.42Å; D343-F345 PolarHBondContact O-N 2.88Å; F345-N347 PolarHBondContact O-N 3.1Å; F345-C348 WeakPolarHBondContact CA-SG 3.4Å; F345-C348 VanDerWaalsContact O-CB 3.31Å; F345-C348 WeakPolarHBondContact O-CB 3.28Å; F345-C348 PolarHBondContact O-N 3.22Å; F345-C348 VanDerWaalsContact O-N 3.14Å; F345-C348 PolarHBondContact O-SG 2.9Å; F345-I351 HydrophobicContact CD1-CD1 3.74Å; F345-I351 HydrophobicContact CE1-CD1 4.07Å; F345-L355 HydrophobicContact CD1-CD2 4.48Å; F345-L355 HydrophobicContact CE1-CD2 3.89Å; F345-L355 HydrophobicContact CZ-CD2 3.97Å; F345-V380 HydrophobicContact CB-CG2 4.03Å; F345-F381 HydrophobicContact CB-CD1 4.34Å; F345-F381 HydrophobicContact CB-CE1 3.68Å; F345-F381 HydrophobicContact CB-CZ 4.15Å; F345-F381 AromaticContact CD1-CE1 3.97Å; F345-F381 HydrophobicContact CD1-CE1 3.97Å; F345-F381 AromaticContact CD2-CE1 3.93Å; F345-F381 HydrophobicContact CD2-CE1 3.93Å; F345-F381 AromaticContact CD2-CZ 3.83Å; F345-F381 HydrophobicContact CD2-CZ 3.83Å; F345-F381 HydrophobicContact CE2-CZ 4.4Å; F345-F381 AromaticContact CG-CE1 3.58Å; F345-F381 HydrophobicContact CG-CE1 3.58Å; F345-F381 AromaticContact CG-CZ 3.96Å; F345-F381 HydrophobicContact CG-CZ 3.96Å
346	I	89.8	Confident	90.8	Very high	72 Å²	72	27 Å²	27	37%	0.369	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	126.7	177.3	-68.7	168.9	0	0	0	110.8	K324 D343 S344 C348 V380	K324-I346 PolarHBondContact NZ-O 3.27Å; D343-I346 HydrophobicContact CB-CD1 4Å; D343-I346 WeakPolarHBondContact O-CB 3.39Å; D343-I346 WeakPolarHBondContact O-CD1 2.96Å; D343-I346 VanDerWaalsContact O-CG1 3.24Å; D343-I346 WeakPolarHBondContact O-CG1 3.46Å; D343-I346 PolarHBondContact O-N 2.92Å; S344-I346 VanDerWaalsContact C-N 3.32Å; S344-I346 PolarHBondContact O-N 2.67Å; I346-C348 PolarHBondContact O-N 3.08Å; I346-V380 HydrophobicContact CG1-CB 4.46Å; I346-V380 HydrophobicContact CG1-CG1 3.69Å
347	N	86.7	Confident	91	Very high	89 Å²	89	26.8 Å²	26.8	48%	0.476	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	19.4	-178.5	-57.3	-25.1	0	0	0	115.7	K324 F345	K324-N347 VanDerWaalsContact CB-O 3.28Å; K324-N347 WeakPolarHBondContact CB-O 3.34Å; K324-N347 HydrophobicContact CD-CB 4.46Å; F345-N347 PolarHBondContact O-N 3.1Å
348	C	89.9	Confident	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.			trans	-79.5	118.7	179.3	-64.9	0	0	0	0	112.6	K324 C326 S344 F345 I346 I351 T383 V384	K324-C348 PolarHBondContact NZ-SG 3.41Å; C326-C348 HydrophobicContact CB-CB 3.73Å; C326-C348 WeakPolarHBondContact CB-SG 3.41Å; C326-C348 WeakPolarHBondContact SG-CB 3.48Å; C326-C348 CovalentContact SG-SG 2.01Å; C326-C348 PolarHBondContact SG-SG 2.75Å; S344-C348 PolarHBondContact O-SG 2.91Å; F345-C348 WeakPolarHBondContact CA-SG 3.4Å; F345-C348 VanDerWaalsContact O-CB 3.31Å; F345-C348 WeakPolarHBondContact O-CB 3.28Å; F345-C348 PolarHBondContact O-N 3.22Å; F345-C348 VanDerWaalsContact O-N 3.14Å; F345-C348 PolarHBondContact O-SG 2.9Å; I346-C348 PolarHBondContact O-N 3.08Å; C348-I351 HydrophobicContact CB-CD1 3.89Å; C348-T383 PolarHBondContact N-OG1 3.02Å; C348-T383 CarbonylContact O-C 3.53Å; C348-T383 PolarHBondContact O-OG1 3.25Å; C348-T383 VanDerWaalsContact O-OG1 3.05Å; C348-V384 WeakPolarHBondContact O-CA 3.35Å; C348-V384 WeakPolarHBondContact O-CG2 3.45Å; C348-V384 PolarHBondContact O-N 3.17Å
349	T	89.4	Confident	90.9	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.037	19%	0.192	C	C	.	.	S	Bend	trans	-95.8	-25	178.9	70.3	0	0	0	0	113.3	L321 C322 P323 K324 T383 Q385 E386	L321-T349 HydrophobicContact CB-CG2 4.2Å; C322-T349 WeakPolarHBondContact O-CG2 3.2Å; P323-T349 VanDerWaalsContact CA-OG1 3.29Å; P323-T349 WeakPolarHBondContact CA-OG1 3.46Å; K324-T349 PolarHBondContact N-OG1 3.47Å; K324-T349 PolarHBondContact O-N 2.94Å; T349-T383 WeakPolarHBondContact CA-O 3.35Å; T349-Q385 PolarHBondContact O-N 3.37Å; T349-E386 PolarHBondContact O-N 3.43Å; T349-E386 VanDerWaalsContact O-N 3.16Å
350	V	89.3	Confident	90.8	Very high	29 Å²	29	34.2 Å²	34.2	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.1	179.2	-177.5	0	0	0	0	109.3	K324 V325 C326 E386 T388	K324-V350 PolarHBondContact O-N 3.41Å; V325-V350 WeakPolarHBondContact CA-O 3.27Å; V325-V350 HydrophobicContact CG2-CB 4.26Å; C326-V350 PolarHBondContact N-O 2.94Å; V350-E386 WeakPolarHBondContact CA-O 3.45Å; V350-E386 HydrophobicContact CG1-CB 4.3Å; V350-E386 HydrophobicContact CG1-CG 4.47Å; V350-E386 HydrophobicContact CG2-CB 4.32Å; V350-T388 HydrophobicContact CG1-CG2 4.46Å
351	I	92	Very high	90.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.6	173.2	-52.3	-55.1	0	0	0	109.7	C326 F345 C348 L355 V384 E386 I387 T388	C326-I351 HydrophobicContact CB-CD1 4.27Å; C326-I351 CarbonylContact O-C 3.59Å; C326-I351 WeakPolarHBondContact O-CA 3.34Å; F345-I351 HydrophobicContact CD1-CD1 3.74Å; F345-I351 HydrophobicContact CE1-CD1 4.07Å; C348-I351 HydrophobicContact CB-CD1 3.89Å; I351-L355 HydrophobicContact CG1-CD1 4.19Å; I351-L355 HydrophobicContact CG1-CD2 4.38Å; I351-L355 HydrophobicContact CG1-CG 4.32Å; I351-L355 HydrophobicContact CG2-CD2 3.92Å; I351-L355 HydrophobicContact CG2-CG 4.06Å; I351-V384 HydrophobicContact CD1-CG2 4.08Å; I351-V384 HydrophobicContact CG1-CG1 4.02Å; I351-V384 HydrophobicContact CG1-CG2 4.02Å; I351-E386 PolarHBondContact N-O 3.38Å; I351-I387 HydrophobicContact CB-CG1 4.23Å; I351-I387 HydrophobicContact CG1-CG1 4.37Å; I351-T388 WeakPolarHBondContact O-CG2 3.29Å; I351-T388 PolarHBondContact O-N 2.87Å; I351-T388 PolarHBondContact O-OG1 2.75Å
352	K	87.6	Confident	90.8	Very high	111 Å²	111	30.9 Å²	30.9	48%	0.483	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	95.7	178.3	-178.4	179.2	172.7	-177.6	0	109.6	V325 C326 D327 G328 T388	V325-K352 HydrophobicContact CG1-CB 4.07Å; V325-K352 HydrophobicContact CG1-CD 4.41Å; C326-K352 PolarHBondContact O-N 3.01Å; D327-K352 WeakPolarHBondContact CA-O 3.45Å; G328-K352 PolarHBondContact N-O 2.91Å; K352-T388 WeakPolarHBondContact CA-OG1 3.35Å
353	G	87.6	Confident	90.7	Very high	6 Å²	6	32.4 Å²	32.4	6%	0.062	19%	0.185	C	C	.	.	S	Bend	trans	123.5	-163	-168.1	0	0	0	0	0	110.5	T388 D389	G353-T388 PolarHBondContact N-OG1 3.37Å; G353-D389 WeakPolarHBondContact O-CB 3.44Å; G353-D389 PolarHBondContact O-N 2.9Å
354	S	90.6	Very high	90.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.			trans	-89.4	168.1	174.4	54.9	0	0	0	0	113.2	G328 T329 E330 D356 Y390	G328-S354 VanDerWaalsContact CA-O 3.28Å; G328-S354 WeakPolarHBondContact CA-O 2.99Å; T329-S354 PolarHBondContact N-O 3.1Å; T329-S354 VanDerWaalsContact N-O 3.08Å; T329-S354 PolarHBondContact OG1-O 2.85Å; T329-S354 PolarHBondContact OG1-OG 2.63Å; E330-S354 WeakPolarHBondContact CG-OG 3.43Å; S354-D356 WeakPolarHBondContact CB-OD2 3.48Å; S354-D356 PolarHBondContact OG-OD2 2.88Å; S354-Y390 WeakPolarHBondContact CA-O 3.48Å; S354-Y390 VanDerWaalsContact CB-O 3.32Å; S354-Y390 WeakPolarHBondContact CB-O 3.39Å; S354-Y390 PolarHBondContact OG-OH 3.23Å
355	L	94.8	Very high	90.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.6	154.8	-68	-179.4	0	0	0	108.6	V337 F345 I351 F357 F381 I387 Y390 L391 N392 F406	V337-L355 HydrophobicContact CG2-CD2 4.03Å; F345-L355 HydrophobicContact CD1-CD2 4.48Å; F345-L355 HydrophobicContact CE1-CD2 3.89Å; F345-L355 HydrophobicContact CZ-CD2 3.97Å; I351-L355 HydrophobicContact CG1-CD1 4.19Å; I351-L355 HydrophobicContact CG1-CD2 4.38Å; I351-L355 HydrophobicContact CG1-CG 4.32Å; I351-L355 HydrophobicContact CG2-CD2 3.92Å; I351-L355 HydrophobicContact CG2-CG 4.06Å; L355-F357 HydrophobicContact CB-CE2 3.91Å; L355-F357 HydrophobicContact CD1-CE2 4.46Å; L355-F381 HydrophobicContact CD1-CD1 3.92Å; L355-F381 HydrophobicContact CD1-CE1 3.8Å; L355-F381 HydrophobicContact CD2-CE1 3.99Å; L355-F381 HydrophobicContact CD2-CZ 4.46Å; L355-I387 HydrophobicContact CD1-CD1 4.03Å; L355-I387 HydrophobicContact CG-CD1 4.47Å; L355-Y390 PolarHBondContact N-O 3.24Å; L355-L391 HydrophobicContact CB-CD1 3.84Å; L355-N392 PolarHBondContact O-N 2.98Å; L355-F406 HydrophobicContact CD1-CE1 3.62Å; L355-F406 HydrophobicContact CD1-CZ 3.83Å
356	D	93.9	Very high	90.4	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.1	-177.3	-69	-90.5	0	0	0	109	T329 K335 T336 V337 S354 Y390 N392	T329-D356 HydrophobicContact CG2-CB 4.19Å; T329-D356 PolarHBondContact OG1-OD2 2.65Å; K335-D356 WeakPolarHBondContact O-CB 3.29Å; T336-D356 CarbonylContact C-O 3.49Å; T336-D356 WeakPolarHBondContact CA-O 3.42Å; T336-D356 PolarHBondContact OG1-O 3.45Å; T336-D356 VanDerWaalsContact OG1-O 3.1Å; V337-D356 PolarHBondContact N-O 3.48Å; S354-D356 WeakPolarHBondContact CB-OD2 3.48Å; S354-D356 PolarHBondContact OG-OD2 2.88Å; D356-Y390 WeakPolarHBondContact OD1-CE2 3.33Å; D356-N392 CarbonylContact C-O 3.59Å; D356-N392 WeakPolarHBondContact CA-O 3.18Å; D356-N392 WeakPolarHBondContact OD1-CB 3.34Å; D356-N392 PolarHBondContact OD1-ND2 3.1Å
357	F	95	Very high	90.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	96.6	177.8	-62.9	-92.3	0	0	0	108.9	V337 L355 I362 L378 F381 L391 N392 I393 Q394 S395 W396 F406	V337-F357 HydrophobicContact CB-CD1 3.87Å; V337-F357 HydrophobicContact CB-CE1 3.54Å; V337-F357 HydrophobicContact CB-CZ 4.05Å; V337-F357 HydrophobicContact CG1-CD1 4.37Å; V337-F357 HydrophobicContact CG1-CE1 3.71Å; V337-F357 HydrophobicContact CG1-CZ 4.33Å; V337-F357 HydrophobicContact CG2-CD1 4.37Å; V337-F357 HydrophobicContact CG2-CE1 3.81Å; V337-F357 HydrophobicContact CG2-CE2 4.29Å; V337-F357 HydrophobicContact CG2-CZ 3.76Å; L355-F357 HydrophobicContact CB-CE2 3.91Å; L355-F357 HydrophobicContact CD1-CE2 4.46Å; F357-I362 HydrophobicContact CD1-CD1 4.09Å; F357-L378 HydrophobicContact CD1-CD2 4.27Å; F357-L378 HydrophobicContact CE1-CD2 3.64Å; F357-F381 HydrophobicContact CE1-CD2 4.47Å; F357-F381 AromaticContact CE1-CE2 3.81Å; F357-F381 HydrophobicContact CE1-CE2 3.81Å; F357-F381 HydrophobicContact CE1-CZ 4.38Å; F357-F381 HydrophobicContact CZ-CD2 4.08Å; F357-F381 AromaticContact CZ-CE2 3.6Å; F357-F381 HydrophobicContact CZ-CE2 3.6Å; F357-F381 AromaticContact CZ-CZ 3.96Å; F357-F381 HydrophobicContact CZ-CZ 3.96Å; F357-L391 HydrophobicContact CD2-CD1 4.22Å; F357-L391 HydrophobicContact CE2-CD1 3.87Å; F357-N392 PolarHBondContact N-O 2.83Å; F357-I393 HydrophobicContact CB-CG2 4.18Å; F357-I393 HydrophobicContact CD2-CG1 4.07Å; F357-Q394 PolarHBondContact O-N 2.79Å; F357-S395 PolarHBondContact O-N 2.84Å; F357-S395 VanDerWaalsContact O-N 3.12Å; F357-W396 AromaticContact CD1-CZ3 3.95Å; F357-W396 HydrophobicContact CD1-CZ3 3.95Å; F357-W396 HydrophobicContact CD2-CZ3 4.4Å; F357-W396 HydrophobicContact CE1-CZ3 4.16Å; F357-W396 HydrophobicContact CG-CZ3 4.08Å; F357-W396 HydrophobicContact CZ-CZ3 4.48Å; F357-F406 HydrophobicContact CE2-CE2 4.02Å; F357-F406 AromaticContact CE2-CZ 3.68Å; F357-F406 HydrophobicContact CE2-CZ 3.68Å; F357-F406 HydrophobicContact CZ-CE2 4.17Å; F357-F406 AromaticContact CZ-CZ 3.72Å; F357-F406 HydrophobicContact CZ-CZ 3.72Å
358	T	93.1	Very high	90.2	Very high	32 Å²	32	31.6 Å²	31.6	20%	0.196	17%	0.169	C	C	.	.			trans	-100.1	172.3	-178.6	65.1	0	0	0	0	111.5	T336 L360 G361 I362 S395	T336-T358 WeakPolarHBondContact CB-OG1 3.47Å; T336-T358 PolarHBondContact OG1-N 2.94Å; T336-T358 VanDerWaalsContact OG1-N 3.15Å; T336-T358 PolarHBondContact OG1-OG1 3Å; T358-L360 PolarHBondContact O-N 3.23Å; T358-G361 PolarHBondContact O-N 3.08Å; T358-G361 PolarHBondContact OG1-N 3.04Å; T358-I362 PolarHBondContact O-N 3.15Å; T358-S395 VanDerWaalsContact C-CB 3.49Å; T358-S395 WeakPolarHBondContact O-CB 3.27Å
359	V	90.8	Very high	90.1	Very high	89 Å²	89	37.9 Å²	37.9	54%	0.539	20%	0.197	S	C	.	.	H	α-helix	trans	-54.6	-47	175	178.9	0	0	0	0	110.5	G361 I362 G363	V359-G361 PolarHBondContact O-N 3.4Å; V359-I362 PolarHBondContact O-N 3.43Å; V359-G363 PolarHBondContact O-N 3.23Å
360	L	89.4	Confident	90.1	Very high	60 Å²	60	38.2 Å²	38.2	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-51.6	-49.7	173.8	-62.4	-166.9	0	0	0	112.7	T358 I362 G364 D365 E1088	T358-L360 PolarHBondContact O-N 3.23Å; L360-I362 PolarHBondContact O-N 3.4Å; L360-G364 CarbonylContact O-C 3.49Å; L360-G364 WeakPolarHBondContact O-CA 3.48Å; L360-G364 PolarHBondContact O-N 3.16Å; L360-G364 VanDerWaalsContact O-O 3.07Å; L360-D365 HydrophobicContact CB-CB 4.29Å; L360-D365 VanDerWaalsContact CB-CG 3.47Å; L360-D365 WeakPolarHBondContact CB-OD1 3.32Å; L360-D365 VanDerWaalsContact CD1-OD1 3.32Å; L360-D365 WeakPolarHBondContact CD1-OD1 3.45Å; L360-D365 VanDerWaalsContact CD2-OD1 3.25Å; L360-D365 WeakPolarHBondContact CD2-OD1 3.41Å; L360-D365 VanDerWaalsContact CG-OD1 3.28Å; L360-D365 WeakPolarHBondContact CG-OD1 3.37Å; L360-D365 WeakPolarHBondContact O-CB 3.19Å; L360-E1088 HydrophobicContact CD2-CG 4.03Å
361	G	89.4	Confident	90.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-31.5	-179.6	0	0	0	0	0	115.2	V337 T358 V359 L373	V337-G361 CarbonylContact O-C 3.54Å; V337-G361 WeakPolarHBondContact O-CA 3.44Å; T358-G361 PolarHBondContact O-N 3.08Å; T358-G361 PolarHBondContact OG1-N 3.04Å; V359-G361 PolarHBondContact O-N 3.4Å; G361-L373 WeakPolarHBondContact O-CB 3.39Å
362	I	93	Very high	90.3	Very high	15 Å²	15	44 Å²	44	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-89.9	-52.9	-177.5	-61	-56	0	0	0	111.8	F357 T358 V359 L360 G364 L373 P397	F357-I362 HydrophobicContact CD1-CD1 4.09Å; T358-I362 PolarHBondContact O-N 3.15Å; V359-I362 PolarHBondContact O-N 3.43Å; L360-I362 PolarHBondContact O-N 3.4Å; I362-G364 VanDerWaalsContact C-N 3.27Å; I362-G364 PolarHBondContact O-N 2.85Å; I362-L373 HydrophobicContact CD1-CD2 4.01Å; I362-L373 PolarHBondContact O-N 3.39Å; I362-P397 HydrophobicContact CG2-CG 4.06Å
363	G	89.2	Confident	90.6	Very high	32 Å²	32	39 Å²	39	33%	0.33	22%	0.215	S	C	.	.	H	α-helix	trans	-80.7	-1.7	-175.8	0	0	0	0	0	114.6	V359 P372	V359-G363 PolarHBondContact O-N 3.23Å; G363-P372 WeakPolarHBondContact O-CG 3.39Å
364	G	89.5	Confident	90.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	23%	0.232	C	C	.	.			trans	80.9	170.3	-167.5	0	0	0	0	0	111.1	L360 I362 M1089	L360-G364 CarbonylContact O-C 3.49Å; L360-G364 WeakPolarHBondContact O-CA 3.48Å; L360-G364 PolarHBondContact O-N 3.16Å; L360-G364 VanDerWaalsContact O-O 3.07Å; I362-G364 VanDerWaalsContact C-N 3.27Å; I362-G364 PolarHBondContact O-N 2.85Å; G364-M1089 WeakPolarHBondContact O-CG 3.42Å
365	D	89.8	Confident	91	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-157.2	122.3	-150.2	-159.2	21.8	0	0	0	109.1	L360 I370 M1087 E1088	L360-D365 HydrophobicContact CB-CB 4.29Å; L360-D365 VanDerWaalsContact CB-CG 3.47Å; L360-D365 WeakPolarHBondContact CB-OD1 3.32Å; L360-D365 VanDerWaalsContact CD1-OD1 3.32Å; L360-D365 WeakPolarHBondContact CD1-OD1 3.45Å; L360-D365 VanDerWaalsContact CD2-OD1 3.25Å; L360-D365 WeakPolarHBondContact CD2-OD1 3.41Å; L360-D365 VanDerWaalsContact CG-OD1 3.28Å; L360-D365 WeakPolarHBondContact CG-OD1 3.37Å; L360-D365 WeakPolarHBondContact O-CB 3.19Å; D365-I370 HydrophobicContact CB-CB 4.23Å; D365-I370 HydrophobicContact CB-CD1 4.31Å; D365-I370 HydrophobicContact CB-CG1 4.33Å; D365-I370 PolarHBondContact N-O 3.39Å; D365-I370 VanDerWaalsContact O-O 3.06Å; D365-M1087 VanDerWaalsContact C-C 3.41Å; D365-M1087 HydrophobicContact CB-CE 4.49Å; D365-M1087 HydrophobicContact CB-CG 3.5Å; D365-M1087 HydrophobicContact CB-SD 3.54Å; D365-M1087 VanDerWaalsContact CB-SD 3.54Å; D365-M1087 VanDerWaalsContact CG-CG 3.48Å; D365-M1087 CarbonylContact O-C 3.05Å; D365-M1087 WeakPolarHBondContact O-CA 3.38Å; D365-M1087 WeakPolarHBondContact O-CB 3.34Å; D365-M1087 WeakPolarHBondContact O-CG 3.34Å; D365-M1087 WeakPolarHBondContact OD1-CE 3.45Å; D365-M1087 WeakPolarHBondContact OD2-CE 3.45Å; D365-E1088 WeakPolarHBondContact O-CA 3.42Å; D365-E1088 PolarHBondContact O-N 3.3Å
366	P	88.2	Confident	90.9	Very high	60 Å²	60	49.7 Å²	49.7	39%	0.39	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	21.8	169.3	0.8	-1	0	0	0	129.1	M1087 E1088 M1089	P366-M1087 VanDerWaalsContact N-C 3.33Å; P366-M1087 PolarHBondContact O-N 3.16Å; P366-E1088 VanDerWaalsContact CB-C 3.49Å; P366-E1088 HydrophobicContact CB-CB 2.32Å; P366-E1088 HydrophobicContact CB-CG 3.75Å; P366-E1088 HydrophobicContact CG-CB 2.29Å; P366-E1088 HydrophobicContact CG-CG 3.06Å; P366-E1088 WeakPolarHBondContact CG-O 3.41Å; P366-M1089 HydrophobicContact CG-CB 3.84Å; P366-M1089 HydrophobicContact CG-CG 4.38Å
367	Y	87.3	Confident	90.9	Very high	141 Å²	141	52.6 Å²	52.6	55%	0.553	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.2	15.7	168.1	-146.6	-121.7	0	0	0	120	V1085 D1086 M1087	Y367-V1085 HydrophobicContact CD1-CG2 3.87Å; Y367-V1085 HydrophobicContact CD2-CG1 4.47Å; Y367-V1085 HydrophobicContact CE1-CG1 4.47Å; Y367-V1085 HydrophobicContact CE1-CG2 3.52Å; Y367-V1085 HydrophobicContact CE2-CG1 3.93Å; Y367-V1085 HydrophobicContact CE2-CG2 4.4Å; Y367-V1085 HydrophobicContact CG-CG2 4.45Å; Y367-V1085 CarbonylContact O-C 3.38Å; Y367-V1085 WeakPolarHBondContact O-CA 3.21Å; Y367-V1085 WeakPolarHBondContact O-CG2 3.26Å; Y367-D1086 WeakPolarHBondContact CE2-OD1 3.3Å; Y367-D1086 PolarHBondContact O-N 2.88Å; Y367-M1087 VanDerWaalsContact N-CA 3.33Å; Y367-M1087 PolarHBondContact N-SD 3.34Å
368	E	84.3	Confident	90.9	Very high	66 Å²	66	52.6 Å²	52.6	31%	0.308	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-68.7	168.1	-66.1	-80.1	-165.6	0	0	117.6	A1084 V1085 D1086 M1087	E368-A1084 WeakPolarHBondContact OE2-CA 3.38Å; E368-V1085 CarbonylContact O-C 3.38Å; E368-V1085 PolarHBondContact OE2-N 3.3Å; E368-D1086 CarbonylContact C-O 3.56Å; E368-D1086 VanDerWaalsContact N-C 3.3Å; E368-M1087 HydrophobicContact CB-CE 3.56Å; E368-M1087 HydrophobicContact CB-CG 3.91Å; E368-M1087 HydrophobicContact CB-SD 4.43Å; E368-M1087 HydrophobicContact CG-CE 3.52Å; E368-M1087 PolarHBondContact N-SD 2.99Å
369	K	89	Confident	90.9	Very high	133 Å²	133	55.6 Å²	55.6	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.4	87.1	142.4	179.9	119.5	-72.5	114.7	0	116.7	D1086	K369-D1086 WeakPolarHBondContact CA-O 3.21Å; K369-D1086 VanDerWaalsContact CB-O 3.31Å; K369-D1086 WeakPolarHBondContact CB-O 3.46Å; K369-D1086 WeakPolarHBondContact CE-O 3.44Å; K369-D1086 PolarHBondContact N-O 3.22Å; K369-D1086 PolarHBondContact NZ-O 2.73Å
370	I	89.1	Confident	91	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.067	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-156.3	128.5	-161.1	-23.5	-178.1	0	0	0	118.3	D338 A339 A340 D365 M1087	D338-I370 HydrophobicContact CB-CD1 3.88Å; D338-I370 HydrophobicContact CB-CG2 4Å; D338-I370 VanDerWaalsContact CG-CD1 3.43Å; D338-I370 VanDerWaalsContact OD2-CD1 3.27Å; D338-I370 WeakPolarHBondContact OD2-CD1 3.29Å; A339-I370 HydrophobicContact CB-CG2 3.94Å; A340-I370 HydrophobicContact CB-CG2 4.07Å; D365-I370 HydrophobicContact CB-CB 4.23Å; D365-I370 HydrophobicContact CB-CD1 4.31Å; D365-I370 HydrophobicContact CB-CG1 4.33Å; D365-I370 PolarHBondContact N-O 3.39Å; D365-I370 VanDerWaalsContact O-O 3.06Å; I370-M1087 HydrophobicContact CG1-CB 4.45Å; I370-M1087 HydrophobicContact CG1-CG 4.02Å
371	P	92.9	Very high	91.3	Very high	84 Å²	84	49.7 Å²	49.7	55%	0.545	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-78.2	171.3	168	34.7	-36.5	0	0	0	113.1	A339	A339-P371 HydrophobicContact CB-CG 4.03Å; A339-P371 WeakPolarHBondContact CB-O 2.97Å
372	P	92.3	Very high	91.4	Very high	66 Å²	66	53.2 Å²	53.2	43%	0.429	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-55.1	145	174.6	-22.2	31.5	0	0	0	113.6	G363 D374	G363-P372 WeakPolarHBondContact O-CG 3.39Å; P372-D374 PolarHBondContact O-N 3.16Å
373	L	93.3	Very high	91.3	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-81.5	117.2	-179.7	176.4	61	0	0	0	111.1	V337 A339 I342 G361 I362 P375 K377 L378	V337-L373 HydrophobicContact CG1-CD2 4.42Å; A339-L373 HydrophobicContact CB-CD1 4.41Å; I342-L373 HydrophobicContact CB-CD1 4.02Å; I342-L373 HydrophobicContact CG1-CD1 4.12Å; I342-L373 HydrophobicContact CG2-CD1 3.88Å; G361-L373 WeakPolarHBondContact O-CB 3.39Å; I362-L373 HydrophobicContact CD1-CD2 4.01Å; I362-L373 PolarHBondContact O-N 3.39Å; L373-P375 VanDerWaalsContact O-CD 3.29Å; L373-P375 WeakPolarHBondContact O-CD 3.32Å; L373-K377 HydrophobicContact CD1-CB 4.36Å; L373-L378 HydrophobicContact CD2-CD2 3.67Å; L373-L378 HydrophobicContact CD2-CG 4.15Å
374	D	94.2	Very high	91.4	Very high	80 Å²	80	51.6 Å²	51.6	43%	0.428	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-52.5	116.9	169.9	176.2	5.2	0	0	0	111	P372 E376 K377	P372-D374 PolarHBondContact O-N 3.16Å; D374-E376 PolarHBondContact O-N 2.94Å; D374-E376 WeakPolarHBondContact OD1-CB 3Å; D374-E376 PolarHBondContact OD1-N 2.78Å; D374-K377 HydrophobicContact CB-CB 4.41Å; D374-K377 HydrophobicContact CB-CG 4.14Å; D374-K377 WeakPolarHBondContact O-CB 3.3Å; D374-K377 PolarHBondContact O-N 2.88Å
375	P	93.1	Very high	91.6	Very high	39 Å²	39	54.9 Å²	54.9	25%	0.253	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.4	180	-25	36.3	0	0	0	113.9	L373 K377 L378 P397 L400	L373-P375 VanDerWaalsContact O-CD 3.29Å; L373-P375 WeakPolarHBondContact O-CD 3.32Å; P375-K377 VanDerWaalsContact C-N 3.34Å; P375-L378 PolarHBondContact O-N 2.91Å; P375-P397 HydrophobicContact CB-CB 3.86Å; P375-P397 HydrophobicContact CB-CG 3.91Å; P375-P397 HydrophobicContact CG-CB 3.7Å; P375-P397 HydrophobicContact CG-CG 3.92Å; P375-L400 HydrophobicContact CB-CD1 4.22Å; P375-L400 HydrophobicContact CB-CG 4.39Å
376	E	92.8	Very high	91.7	Very high	112 Å²	112	57 Å²	57	52%	0.523	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.6	175.3	-75.6	-73.3	114.4	0	0	111.6	D374 L378 K379	D374-E376 PolarHBondContact O-N 2.94Å; D374-E376 WeakPolarHBondContact OD1-CB 3Å; D374-E376 PolarHBondContact OD1-N 2.78Å; E376-L378 VanDerWaalsContact C-N 3.25Å; E376-L378 PolarHBondContact O-N 3.09Å; E376-K379 WeakPolarHBondContact O-CB 3.42Å; E376-K379 VanDerWaalsContact O-CG 3.29Å; E376-K379 WeakPolarHBondContact O-CG 3.47Å; E376-K379 PolarHBondContact O-N 2.84Å; E376-K379 VanDerWaalsContact OE1-CE 3.24Å; E376-K379 WeakPolarHBondContact OE1-CE 3.43Å; E376-K379 IonicContact OE1-NZ 3.21Å; E376-K379 PolarHBondContact OE1-NZ 3.35Å; E376-K379 IonicContact OE2-NZ 3.99Å; E376-K379 PolarHBondContact OE2-NZ 2.87Å
377	K	93.7	Very high	91.9	Very high	72 Å²	72	54.1 Å²	54.1	31%	0.313	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24	177.1	-76.2	-160.9	172.4	-160.3	0	113.6	I342 D343 L373 D374 P375 K379 V380	I342-K377 HydrophobicContact CG1-CB 3.97Å; I342-K377 HydrophobicContact CG2-CB 4.43Å; I342-K377 HydrophobicContact CG2-CD 3.64Å; D343-K377 WeakPolarHBondContact OD1-CE 3.37Å; D343-K377 IonicContact OD1-NZ 3.25Å; D343-K377 PolarHBondContact OD1-NZ 3.34Å; D343-K377 IonicContact OD2-NZ 3.73Å; D343-K377 PolarHBondContact OD2-NZ 3.33Å; L373-K377 HydrophobicContact CD1-CB 4.36Å; D374-K377 HydrophobicContact CB-CB 4.41Å; D374-K377 HydrophobicContact CB-CG 4.14Å; D374-K377 WeakPolarHBondContact O-CB 3.3Å; D374-K377 PolarHBondContact O-N 2.88Å; P375-K377 VanDerWaalsContact C-N 3.34Å; K377-K379 PolarHBondContact O-N 2.83Å; K377-V380 WeakPolarHBondContact O-CG1 3.12Å; K377-V380 WeakPolarHBondContact O-CG2 3.4Å; K377-V380 PolarHBondContact O-N 3.29Å; K377-V380 VanDerWaalsContact O-N 3.15Å
378	L	94.1	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-58.2	-18	174.6	-71.5	172.3	0	0	0	113	F357 L373 P375 E376 V380 F381 W396 P397 L400 V405	F357-L378 HydrophobicContact CD1-CD2 4.27Å; F357-L378 HydrophobicContact CE1-CD2 3.64Å; L373-L378 HydrophobicContact CD2-CD2 3.67Å; L373-L378 HydrophobicContact CD2-CG 4.15Å; P375-L378 PolarHBondContact O-N 2.91Å; E376-L378 VanDerWaalsContact C-N 3.25Å; E376-L378 PolarHBondContact O-N 3.09Å; L378-V380 PolarHBondContact O-N 3.15Å; L378-V380 VanDerWaalsContact O-N 3.15Å; L378-F381 HydrophobicContact CD2-CD2 4.31Å; L378-F381 HydrophobicContact CD2-CE2 4.09Å; L378-F381 WeakPolarHBondContact O-CD2 3.29Å; L378-F381 PolarHBondContact O-N 3.26Å; L378-W396 HydrophobicContact CD1-CH2 4.13Å; L378-W396 HydrophobicContact CD1-CZ2 4.22Å; L378-W396 HydrophobicContact CD1-CZ3 4.36Å; L378-P397 HydrophobicContact CD1-CG 3.69Å; L378-L400 HydrophobicContact CD1-CD1 3.86Å; L378-V405 HydrophobicContact CB-CG1 4.14Å; L378-V405 WeakPolarHBondContact O-CB 3.29Å
379	K	92.9	Very high	92	Very high	95 Å²	95	45.5 Å²	45.5	41%	0.413	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61.6	-17.1	175.8	-66.3	175.3	-174.9	175.3	0	114.1	E376 K377 F381 N382	E376-K379 WeakPolarHBondContact O-CB 3.42Å; E376-K379 VanDerWaalsContact O-CG 3.29Å; E376-K379 WeakPolarHBondContact O-CG 3.47Å; E376-K379 PolarHBondContact O-N 2.84Å; E376-K379 VanDerWaalsContact OE1-CE 3.24Å; E376-K379 WeakPolarHBondContact OE1-CE 3.43Å; E376-K379 IonicContact OE1-NZ 3.21Å; E376-K379 PolarHBondContact OE1-NZ 3.35Å; E376-K379 IonicContact OE2-NZ 3.99Å; E376-K379 PolarHBondContact OE2-NZ 2.87Å; K377-K379 PolarHBondContact O-N 2.83Å; K379-F381 PolarHBondContact O-N 2.84Å; K379-N382 VanDerWaalsContact O-CB 3.29Å; K379-N382 WeakPolarHBondContact O-CB 3.29Å; K379-N382 PolarHBondContact O-N 3.4Å; K379-N382 PolarHBondContact O-ND2 2.7Å; K379-N382 PolarHBondContact O-OD1 2.97Å
380	V	93.6	Very high	92.2	Very high	25 Å²	25	40.2 Å²	40.2	15%	0.152	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56.5	-31	174	-61.1	0	0	0	0	112.8	I342 F345 I346 K377 L378 N382 T383	I342-V380 HydrophobicContact CD1-CG2 3.52Å; I342-V380 HydrophobicContact CG1-CG2 4.01Å; F345-V380 HydrophobicContact CB-CG2 4.03Å; I346-V380 HydrophobicContact CG1-CB 4.46Å; I346-V380 HydrophobicContact CG1-CG1 3.69Å; K377-V380 WeakPolarHBondContact O-CG1 3.12Å; K377-V380 WeakPolarHBondContact O-CG2 3.4Å; K377-V380 PolarHBondContact O-N 3.29Å; K377-V380 VanDerWaalsContact O-N 3.15Å; L378-V380 PolarHBondContact O-N 3.15Å; L378-V380 VanDerWaalsContact O-N 3.15Å; V380-N382 PolarHBondContact O-N 3.32Å; V380-T383 PolarHBondContact O-N 3.03Å; V380-T383 PolarHBondContact O-OG1 3.35Å
381	F	94.8	Very high	92.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-71.6	-8.4	178.7	-63.1	-62.3	0	0	0	114.2	V337 I342 F345 L355 F357 L378 K379 T383 V384 V405 F406	V337-F381 HydrophobicContact CB-CZ 4.44Å; V337-F381 HydrophobicContact CG1-CE2 3.88Å; V337-F381 HydrophobicContact CG1-CZ 3.72Å; V337-F381 HydrophobicContact CG2-CZ 3.89Å; I342-F381 HydrophobicContact CD1-CD2 4.25Å; I342-F381 HydrophobicContact CD1-CE2 3.35Å; I342-F381 HydrophobicContact CD1-CZ 3.7Å; F345-F381 HydrophobicContact CB-CD1 4.34Å; F345-F381 HydrophobicContact CB-CE1 3.68Å; F345-F381 HydrophobicContact CB-CZ 4.15Å; F345-F381 AromaticContact CD1-CE1 3.97Å; F345-F381 HydrophobicContact CD1-CE1 3.97Å; F345-F381 AromaticContact CD2-CE1 3.93Å; F345-F381 HydrophobicContact CD2-CE1 3.93Å; F345-F381 AromaticContact CD2-CZ 3.83Å; F345-F381 HydrophobicContact CD2-CZ 3.83Å; F345-F381 HydrophobicContact CE2-CZ 4.4Å; F345-F381 AromaticContact CG-CE1 3.58Å; F345-F381 HydrophobicContact CG-CE1 3.58Å; F345-F381 AromaticContact CG-CZ 3.96Å; F345-F381 HydrophobicContact CG-CZ 3.96Å; L355-F381 HydrophobicContact CD1-CD1 3.92Å; L355-F381 HydrophobicContact CD1-CE1 3.8Å; L355-F381 HydrophobicContact CD2-CE1 3.99Å; L355-F381 HydrophobicContact CD2-CZ 4.46Å; F357-F381 HydrophobicContact CE1-CD2 4.47Å; F357-F381 AromaticContact CE1-CE2 3.81Å; F357-F381 HydrophobicContact CE1-CE2 3.81Å; F357-F381 HydrophobicContact CE1-CZ 4.38Å; F357-F381 HydrophobicContact CZ-CD2 4.08Å; F357-F381 AromaticContact CZ-CE2 3.6Å; F357-F381 HydrophobicContact CZ-CE2 3.6Å; F357-F381 AromaticContact CZ-CZ 3.96Å; F357-F381 HydrophobicContact CZ-CZ 3.96Å; L378-F381 HydrophobicContact CD2-CD2 4.31Å; L378-F381 HydrophobicContact CD2-CE2 4.09Å; L378-F381 WeakPolarHBondContact O-CD2 3.29Å; L378-F381 PolarHBondContact O-N 3.26Å; K379-F381 PolarHBondContact O-N 2.84Å; F381-T383 PolarHBondContact O-N 3.24Å; F381-V384 HydrophobicContact CB-CG2 4.4Å; F381-V384 HydrophobicContact CD1-CG2 4Å; F381-V384 WeakPolarHBondContact O-CB 3.5Å; F381-V384 PolarHBondContact O-N 2.85Å; F381-V405 CarbonylContact C-O 3.52Å; F381-F406 HydrophobicContact CB-CD1 4.01Å; F381-F406 HydrophobicContact CB-CE1 3.59Å; F381-F406 HydrophobicContact CB-CZ 4.04Å; F381-F406 HydrophobicContact CD1-CE1 4.06Å; F381-F406 HydrophobicContact CD1-CZ 4.39Å; F381-F406 HydrophobicContact CD2-CE1 4.47Å; F381-F406 HydrophobicContact CD2-CZ 4.17Å; F381-F406 AromaticContact CG-CE1 3.79Å; F381-F406 HydrophobicContact CG-CE1 3.79Å; F381-F406 AromaticContact CG-CZ 3.94Å; F381-F406 HydrophobicContact CG-CZ 3.94Å
382	N	91.6	Very high	92.5	Very high	73 Å²	73	35.7 Å²	35.7	39%	0.39	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-62.9	-14	175.5	77.7	11.7	0	0	0	113	K379 V380 V405 N408	K379-N382 VanDerWaalsContact O-CB 3.29Å; K379-N382 WeakPolarHBondContact O-CB 3.29Å; K379-N382 PolarHBondContact O-N 3.4Å; K379-N382 PolarHBondContact O-ND2 2.7Å; K379-N382 PolarHBondContact O-OD1 2.97Å; V380-N382 PolarHBondContact O-N 3.32Å; N382-V405 WeakPolarHBondContact CA-O 3.39Å; N382-V405 PolarHBondContact N-O 2.81Å; N382-N408 PolarHBondContact O-ND2 3.25Å
383	T	90.9	Very high	92.7	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.086	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-86.2	-16.6	176.4	63.9	0	0	0	0	113.3	L321 C348 T349 V380 F381	L321-T383 HydrophobicContact CD1-CG2 3.28Å; C348-T383 PolarHBondContact N-OG1 3.02Å; C348-T383 CarbonylContact O-C 3.53Å; C348-T383 PolarHBondContact O-OG1 3.25Å; C348-T383 VanDerWaalsContact O-OG1 3.05Å; T349-T383 WeakPolarHBondContact CA-O 3.35Å; V380-T383 PolarHBondContact O-N 3.03Å; V380-T383 PolarHBondContact O-OG1 3.35Å; F381-T383 PolarHBondContact O-N 3.24Å
384	V	93.3	Very high	92.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.			trans	-73.4	130.7	-175.8	-179.1	0	0	0	0	111.7	C348 I351 F381 I387 N408 L409	C348-V384 WeakPolarHBondContact O-CA 3.35Å; C348-V384 WeakPolarHBondContact O-CG2 3.45Å; C348-V384 PolarHBondContact O-N 3.17Å; I351-V384 HydrophobicContact CD1-CG2 4.08Å; I351-V384 HydrophobicContact CG1-CG1 4.02Å; I351-V384 HydrophobicContact CG1-CG2 4.02Å; F381-V384 HydrophobicContact CB-CG2 4.4Å; F381-V384 HydrophobicContact CD1-CG2 4Å; F381-V384 WeakPolarHBondContact O-CB 3.5Å; F381-V384 PolarHBondContact O-N 2.85Å; V384-I387 HydrophobicContact CG1-CG1 4.04Å; V384-N408 CarbonylContact O-C 3.19Å; V384-L409 HydrophobicContact CG1-CD1 4.07Å; V384-L409 WeakPolarHBondContact O-CA 3.46Å; V384-L409 PolarHBondContact O-N 3.34Å
385	Q	91.8	Very high	92.6	Very high	69 Å²	69	32.2 Å²	32.2	32%	0.322	16%	0.159	S	C	.	.			trans	-118.2	-28.4	177	-59	-178.1	24.8	0	0	112.5	T349 Q410 T411	T349-Q385 PolarHBondContact O-N 3.37Å; Q385-Q410 PolarHBondContact O-N 3Å; Q385-T411 PolarHBondContact O-N 3.39Å
386	E	92.1	Very high	92.7	Very high	48 Å²	48	30.8 Å²	30.8	22%	0.224	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.7	178.8	-175.9	177.6	157.8	0	0	112.1	T349 V350 I351 T411 Q413 R415	T349-E386 PolarHBondContact O-N 3.43Å; T349-E386 VanDerWaalsContact O-N 3.16Å; V350-E386 WeakPolarHBondContact CA-O 3.45Å; V350-E386 HydrophobicContact CG1-CB 4.3Å; V350-E386 HydrophobicContact CG1-CG 4.47Å; V350-E386 HydrophobicContact CG2-CB 4.32Å; I351-E386 PolarHBondContact N-O 3.38Å; E386-T411 WeakPolarHBondContact CA-O 3.49Å; E386-Q413 HydrophobicContact CG-CG 4.09Å; E386-Q413 WeakPolarHBondContact OE1-CG 3.17Å; E386-Q413 PolarHBondContact OE1-NE2 2.85Å; E386-R415 IonicContact OE1-NH2 2.74Å
387	I	93.1	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.5	166.9	-62.1	169.7	0	0	0	107.7	I351 L355 V384 L391 L409 T411 I412 Q413	I351-I387 HydrophobicContact CB-CG1 4.23Å; I351-I387 HydrophobicContact CG1-CG1 4.37Å; L355-I387 HydrophobicContact CD1-CD1 4.03Å; L355-I387 HydrophobicContact CG-CD1 4.47Å; V384-I387 HydrophobicContact CG1-CG1 4.04Å; I387-L391 HydrophobicContact CD1-CB 4.06Å; I387-L391 HydrophobicContact CD1-CD1 4.45Å; I387-L391 HydrophobicContact CD1-CD2 4.26Å; I387-L391 HydrophobicContact CD1-CG 4.49Å; I387-L409 HydrophobicContact CD1-CD1 3.89Å; I387-L409 HydrophobicContact CD1-CD2 3.97Å; I387-L409 HydrophobicContact CG1-CD1 3.84Å; I387-T411 PolarHBondContact N-O 2.99Å; I387-T411 VanDerWaalsContact N-O 3.1Å; I387-I412 HydrophobicContact CB-CG2 4.36Å; I387-I412 HydrophobicContact CG2-CG2 4.42Å; I387-I412 WeakPolarHBondContact O-CA 3.43Å; I387-Q413 PolarHBondContact O-N 3.47Å
388	T	86.8	Confident	92.6	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.043	14%	0.141	C	C	.	.	S	Bend	trans	-77.2	-23.5	-173.6	64.4	0	0	0	0	114.2	V350 I351 K352 G353 Q413 G414 R415	V350-T388 HydrophobicContact CG1-CG2 4.46Å; I351-T388 WeakPolarHBondContact O-CG2 3.29Å; I351-T388 PolarHBondContact O-N 2.87Å; I351-T388 PolarHBondContact O-OG1 2.75Å; K352-T388 WeakPolarHBondContact CA-OG1 3.35Å; G353-T388 PolarHBondContact N-OG1 3.37Å; T388-Q413 VanDerWaalsContact O-CB 3.28Å; T388-Q413 WeakPolarHBondContact O-CB 3.41Å; T388-G414 PolarHBondContact O-N 3.07Å; T388-R415 VanDerWaalsContact O-CB 3.28Å; T388-R415 WeakPolarHBondContact O-CB 3.23Å; T388-R415 WeakPolarHBondContact O-CG 3.23Å; T388-R415 PolarHBondContact O-N 3.22Å
389	D	88	Confident	92.4	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.102	17%	0.172	C	C	.	.	S	Bend	trans	-117.9	-95.1	-171.2	-62.1	28.4	0	0	0	109.6	G353 I412 G414 K416	G353-D389 WeakPolarHBondContact O-CB 3.44Å; G353-D389 PolarHBondContact O-N 2.9Å; D389-I412 VanDerWaalsContact O-CG2 3.29Å; D389-I412 WeakPolarHBondContact O-CG2 3.38Å; D389-G414 WeakPolarHBondContact O-CA 3.4Å; D389-G414 PolarHBondContact O-N 3.39Å; D389-K416 CarbonylContact C-O 3.13Å; D389-K416 HydrophobicContact CB-CB 3.96Å; D389-K416 WeakPolarHBondContact OD2-CB 3.26Å
390	Y	91.4	Very high	92.4	Very high	22 Å²	22	30.4 Å²	30.4	9%	0.086	16%	0.162	C	C	.	.			trans	-141.9	159.2	-179.1	60.5	-89.5	0	0	0	112.9	E330 S354 L355 D356 N392 Y418 S424	E330-Y390 PolarHBondContact OE1-OH 2.84Å; S354-Y390 WeakPolarHBondContact CA-O 3.48Å; S354-Y390 VanDerWaalsContact CB-O 3.32Å; S354-Y390 WeakPolarHBondContact CB-O 3.39Å; S354-Y390 PolarHBondContact OG-OH 3.23Å; L355-Y390 PolarHBondContact N-O 3.24Å; D356-Y390 WeakPolarHBondContact OD1-CE2 3.33Å; Y390-N392 HydrophobicContact CD2-CB 3.96Å; Y390-N392 HydrophobicContact CE2-CB 4.04Å; Y390-Y418 HydrophobicContact CD2-CD2 4.14Å; Y390-Y418 HydrophobicContact CD2-CG 4.43Å; Y390-Y418 AromaticContact CE2-CD2 3.51Å; Y390-Y418 HydrophobicContact CE2-CD2 3.51Å; Y390-Y418 HydrophobicContact CE2-CE2 4.42Å; Y390-Y418 HydrophobicContact CE2-CG 4.23Å; Y390-Y418 AromaticContact CZ-CD2 3.94Å; Y390-S424 VanDerWaalsContact CA-O 3.27Å; Y390-S424 WeakPolarHBondContact CA-O 3.23Å; Y390-S424 WeakPolarHBondContact CB-O 3.47Å
391	L	95	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.9	171.2	173.7	59.9	0	0	0	109.2	L355 F357 I387 I393 F406 L409 I412 S424 F425 L426	L355-L391 HydrophobicContact CB-CD1 3.84Å; F357-L391 HydrophobicContact CD2-CD1 4.22Å; F357-L391 HydrophobicContact CE2-CD1 3.87Å; I387-L391 HydrophobicContact CD1-CB 4.06Å; I387-L391 HydrophobicContact CD1-CD1 4.45Å; I387-L391 HydrophobicContact CD1-CD2 4.26Å; I387-L391 HydrophobicContact CD1-CG 4.49Å; L391-I393 HydrophobicContact CD1-CD1 4.23Å; L391-I393 HydrophobicContact CD1-CG1 4.07Å; L391-I393 HydrophobicContact CD2-CD1 4.44Å; L391-I393 HydrophobicContact CG-CD1 4.27Å; L391-I393 HydrophobicContact CG-CG1 4.24Å; L391-F406 HydrophobicContact CD1-CE2 4.17Å; L391-F406 HydrophobicContact CD1-CZ 4.03Å; L391-F406 HydrophobicContact CD2-CD2 4.33Å; L391-F406 HydrophobicContact CD2-CE2 4.39Å; L391-F406 HydrophobicContact CD2-CG 4.5Å; L391-L409 HydrophobicContact CD2-CD2 3.99Å; L391-I412 HydrophobicContact CB-CD1 3.88Å; L391-I412 HydrophobicContact CD2-CD1 4.46Å; L391-S424 PolarHBondContact N-O 3.23Å; L391-F425 HydrophobicContact CB-CD2 4.18Å; L391-F425 HydrophobicContact CD2-CD2 4.07Å; L391-F425 HydrophobicContact CD2-CE2 3.86Å; L391-F425 HydrophobicContact CG-CD2 4.18Å; L391-F425 HydrophobicContact CG-CE2 4.22Å; L391-F425 WeakPolarHBondContact O-CA 3.39Å; L391-L426 PolarHBondContact O-N 3.02Å
392	N	94.3	Very high	92.3	Very high	2 Å²	2	34 Å²	34	1%	0.011	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.8	-174.1	168.8	35.9	0	0	0	110.5	L355 D356 F357 Y390 Q394 Y418 L426	L355-N392 PolarHBondContact O-N 2.98Å; D356-N392 CarbonylContact C-O 3.59Å; D356-N392 WeakPolarHBondContact CA-O 3.18Å; D356-N392 WeakPolarHBondContact OD1-CB 3.34Å; D356-N392 PolarHBondContact OD1-ND2 3.1Å; F357-N392 PolarHBondContact N-O 2.83Å; Y390-N392 HydrophobicContact CD2-CB 3.96Å; Y390-N392 HydrophobicContact CE2-CB 4.04Å; N392-Q394 PolarHBondContact ND2-NE2 3.29Å; N392-Q394 VanDerWaalsContact ND2-NE2 3.18Å; N392-Q394 VanDerWaalsContact OD1-CG 3.22Å; N392-Q394 WeakPolarHBondContact OD1-CG 3.46Å; N392-Q394 PolarHBondContact OD1-NE2 2.87Å; N392-Y418 HydrophobicContact CB-CD2 4.5Å; N392-Y418 WeakPolarHBondContact ND2-CE2 3.16Å; N392-L426 HydrophobicContact CB-CD2 4.48Å; N392-L426 WeakPolarHBondContact OD1-CD2 3.31Å; N392-L426 WeakPolarHBondContact OD1-CG 3.24Å
393	I	95.4	Very high	92.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	111.6	-177.5	-45.8	-177.9	0	0	0	109.1	F357 L391 S395 W396 L403 L426 V427 M428 I430	F357-I393 HydrophobicContact CB-CG2 4.18Å; F357-I393 HydrophobicContact CD2-CG1 4.07Å; L391-I393 HydrophobicContact CD1-CD1 4.23Å; L391-I393 HydrophobicContact CD1-CG1 4.07Å; L391-I393 HydrophobicContact CD2-CD1 4.44Å; L391-I393 HydrophobicContact CG-CD1 4.27Å; L391-I393 HydrophobicContact CG-CG1 4.24Å; I393-S395 WeakPolarHBondContact CG2-O 3.16Å; I393-W396 HydrophobicContact CD1-CZ3 4.4Å; I393-W396 HydrophobicContact CG2-CD2 4.41Å; I393-W396 HydrophobicContact CG2-CE3 3.7Å; I393-W396 HydrophobicContact CG2-CZ3 4.29Å; I393-L403 HydrophobicContact CD1-CD1 3.73Å; I393-L403 HydrophobicContact CD1-CD2 3.9Å; I393-L403 HydrophobicContact CD1-CG 4.37Å; I393-L426 PolarHBondContact N-O 3.17Å; I393-V427 HydrophobicContact CB-CG2 4.49Å; I393-V427 HydrophobicContact CD1-CG2 4.43Å; I393-V427 CarbonylContact O-C 3.59Å; I393-V427 WeakPolarHBondContact O-CA 3.43Å; I393-M428 PolarHBondContact O-N 3.25Å; I393-I430 HydrophobicContact CB-CD1 4.38Å; I393-I430 HydrophobicContact CG2-CD1 3.64Å
394	Q	93.3	Very high	92.4	Very high	55 Å²	55	32.1 Å²	32.1	26%	0.257	18%	0.178	S	C	.	.	S	Bend	trans	-120.4	-14.8	-177.5	-49.8	-172.6	5.9	0	0	112.2	F357 N392 Y418 M428	F357-Q394 PolarHBondContact O-N 2.79Å; N392-Q394 PolarHBondContact ND2-NE2 3.29Å; N392-Q394 VanDerWaalsContact ND2-NE2 3.18Å; N392-Q394 VanDerWaalsContact OD1-CG 3.22Å; N392-Q394 WeakPolarHBondContact OD1-CG 3.46Å; N392-Q394 PolarHBondContact OD1-NE2 2.87Å; Q394-Y418 PolarHBondContact NE2-OH 2.91Å; Q394-M428 HydrophobicContact CG-CG 4.21Å
395	S	93.8	Very high	92.5	Very high	24 Å²	24	32.8 Å²	32.8	17%	0.168	18%	0.182	C	C	.	.			trans	-138.8	156.7	165.9	-168.6	0	0	0	0	109.6	F357 T358 I393	F357-S395 PolarHBondContact O-N 2.84Å; F357-S395 VanDerWaalsContact O-N 3.12Å; T358-S395 VanDerWaalsContact C-CB 3.49Å; T358-S395 WeakPolarHBondContact O-CB 3.27Å; I393-S395 WeakPolarHBondContact CG2-O 3.16Å
396	W	94.6	Very high	92.6	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.038	17%	0.166	C	C	.	.			trans	-156	147.8	176.7	-157.9	-114	0	0	0	109.2	F357 L378 I393 L400 N402 L403 V405 F406 I430	F357-W396 AromaticContact CD1-CZ3 3.95Å; F357-W396 HydrophobicContact CD1-CZ3 3.95Å; F357-W396 HydrophobicContact CD2-CZ3 4.4Å; F357-W396 HydrophobicContact CE1-CZ3 4.16Å; F357-W396 HydrophobicContact CG-CZ3 4.08Å; F357-W396 HydrophobicContact CZ-CZ3 4.48Å; L378-W396 HydrophobicContact CD1-CH2 4.13Å; L378-W396 HydrophobicContact CD1-CZ2 4.22Å; L378-W396 HydrophobicContact CD1-CZ3 4.36Å; I393-W396 HydrophobicContact CD1-CZ3 4.4Å; I393-W396 HydrophobicContact CG2-CD2 4.41Å; I393-W396 HydrophobicContact CG2-CE3 3.7Å; I393-W396 HydrophobicContact CG2-CZ3 4.29Å; W396-L400 HydrophobicContact CZ2-CD1 4.46Å; W396-N402 PolarHBondContact NE1-O 3.32Å; W396-L403 HydrophobicContact CD2-CD2 3.84Å; W396-L403 HydrophobicContact CE3-CD2 4.29Å; W396-L403 HydrophobicContact CG-CD2 4.26Å; W396-L403 HydrophobicContact CH2-CD2 4.33Å; W396-L403 HydrophobicContact CZ2-CD2 3.88Å; W396-V405 HydrophobicContact CH2-CG2 3.61Å; W396-V405 HydrophobicContact CZ2-CG2 3.71Å; W396-F406 HydrophobicContact CH2-CE2 4.04Å; W396-I430 HydrophobicContact CB-CD1 4.12Å; W396-I430 HydrophobicContact CB-CG2 3.7Å
397	P	94	Very high	92.6	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.052	16%	0.164	C	C	.	.			trans	-57.6	141.9	178.8	-27.1	36.2	0	0	0	113.3	I362 P375 L378 S399 L400 S432	I362-P397 HydrophobicContact CG2-CG 4.06Å; P375-P397 HydrophobicContact CB-CB 3.86Å; P375-P397 HydrophobicContact CB-CG 3.91Å; P375-P397 HydrophobicContact CG-CB 3.7Å; P375-P397 HydrophobicContact CG-CG 3.92Å; L378-P397 HydrophobicContact CD1-CG 3.69Å; P397-S399 PolarHBondContact O-N 3.49Å; P397-L400 HydrophobicContact CB-CD1 4.38Å; P397-L400 HydrophobicContact CB-CG 4.32Å; P397-L400 HydrophobicContact CG-CD1 4.2Å; P397-L400 PolarHBondContact O-N 2.92Å; P397-S432 PolarHBondContact O-OG 3.36Å
398	E	89.7	Confident	92.5	Very high	134 Å²	134	31.7 Å²	31.7	63%	0.626	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.1	178.8	-59.8	-151.9	141.5	0	0	112.9	L400	E398-L400 PolarHBondContact O-N 3.45Å
399	S	91.3	Very high	92.9	Very high	93 Å²	93	31.4 Å²	31.4	65%	0.65	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.2	175.1	56.1	0	0	0	0	114.3	P397	P397-S399 PolarHBondContact O-N 3.49Å
400	L	91.8	Very high	93.1	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.188	19%	0.19	C	C	.	.			trans	-113.2	108.4	-176.5	-62.9	-178.7	0	0	0	111.2	P375 L378 W396 P397 E398 N402	P375-L400 HydrophobicContact CB-CD1 4.22Å; P375-L400 HydrophobicContact CB-CG 4.39Å; L378-L400 HydrophobicContact CD1-CD1 3.86Å; W396-L400 HydrophobicContact CZ2-CD1 4.46Å; P397-L400 HydrophobicContact CB-CD1 4.38Å; P397-L400 HydrophobicContact CB-CG 4.32Å; P397-L400 HydrophobicContact CG-CD1 4.2Å; P397-L400 PolarHBondContact O-N 2.92Å; E398-L400 PolarHBondContact O-N 3.45Å; L400-N402 VanDerWaalsContact C-N 3.3Å; L400-N402 PolarHBondContact O-N 3.43Å
401	S	92.6	Very high	93	Very high	56 Å²	56	34 Å²	34	39%	0.392	19%	0.194	S	C	.	.	S	Bend	trans	-82.5	-0.3	-178.7	61.4	0	0	0	0	115.1	S432 T434 S435	S401-S432 WeakPolarHBondContact CA-O 3.49Å; S401-T434 PolarHBondContact O-N 3.2Å; S401-T434 PolarHBondContact O-OG1 3.19Å; S401-S435 PolarHBondContact O-N 3.18Å
402	N	93	Very high	92.9	Very high	43 Å²	43	34 Å²	34	23%	0.23	19%	0.194	C	C	.	.	S	Bend	trans	-151.6	174.3	179.1	65.2	45.5	0	0	0	112.5	W396 L400 S404 S435	W396-N402 PolarHBondContact NE1-O 3.32Å; L400-N402 VanDerWaalsContact C-N 3.3Å; L400-N402 PolarHBondContact O-N 3.43Å; N402-S404 WeakPolarHBondContact OD1-CB 3.27Å; N402-S404 PolarHBondContact OD1-N 2.97Å; N402-S404 PolarHBondContact OD1-OG 3.48Å; N402-S435 WeakPolarHBondContact CA-O 3.43Å; N402-S435 WeakPolarHBondContact CB-O 3.27Å; N402-S435 WeakPolarHBondContact CB-OG 3.41Å
403	L	94.4	Very high	92.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.			trans	-100.1	28.8	177.3	-42.4	173.6	0	0	0	112	I393 W396 V405 F406 F425 V427 L433 L436 L438	I393-L403 HydrophobicContact CD1-CD1 3.73Å; I393-L403 HydrophobicContact CD1-CD2 3.9Å; I393-L403 HydrophobicContact CD1-CG 4.37Å; W396-L403 HydrophobicContact CD2-CD2 3.84Å; W396-L403 HydrophobicContact CE3-CD2 4.29Å; W396-L403 HydrophobicContact CG-CD2 4.26Å; W396-L403 HydrophobicContact CH2-CD2 4.33Å; W396-L403 HydrophobicContact CZ2-CD2 3.88Å; L403-V405 PolarHBondContact O-N 2.91Å; L403-F406 PolarHBondContact O-N 3.02Å; L403-F425 HydrophobicContact CD1-CZ 4.34Å; L403-V427 HydrophobicContact CD1-CG2 4.12Å; L403-L433 HydrophobicContact CD2-CD1 3.68Å; L403-L433 HydrophobicContact CD2-CD2 4.49Å; L403-L433 HydrophobicContact CG-CD1 4.01Å; L403-L436 CarbonylContact C-O 3.6Å; L403-L436 WeakPolarHBondContact CA-O 3.38Å; L403-L436 WeakPolarHBondContact CB-O 3.3Å; L403-L436 HydrophobicContact CD1-CD2 4.12Å; L403-L436 PolarHBondContact N-O 2.85Å; L403-L438 HydrophobicContact CB-CD2 4.13Å
404	S	91.4	Very high	91.8	Very high	49 Å²	49	36.5 Å²	36.5	34%	0.343	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-63.1	-10.5	-174.9	62	0	0	0	0	114.9	N402 F406 S407	N402-S404 WeakPolarHBondContact OD1-CB 3.27Å; N402-S404 PolarHBondContact OD1-N 2.97Å; N402-S404 PolarHBondContact OD1-OG 3.48Å; S404-F406 PolarHBondContact O-N 2.88Å; S404-S407 WeakPolarHBondContact O-CB 3.32Å; S404-S407 PolarHBondContact O-N 2.92Å; S404-S407 PolarHBondContact O-OG 2.99Å
405	V	94.2	Very high	91.1	Very high	14 Å²	14	42 Å²	42	9%	0.085	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.1	-22.2	165.2	-56.6	0	0	0	0	112.5	L378 F381 N382 W396 L403	L378-V405 HydrophobicContact CB-CG1 4.14Å; L378-V405 WeakPolarHBondContact O-CB 3.29Å; F381-V405 CarbonylContact C-O 3.52Å; N382-V405 WeakPolarHBondContact CA-O 3.39Å; N382-V405 PolarHBondContact N-O 2.81Å; W396-V405 HydrophobicContact CH2-CG2 3.61Å; W396-V405 HydrophobicContact CZ2-CG2 3.71Å; L403-V405 PolarHBondContact O-N 2.91Å
406	F	95.3	Very high	90.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-99.5	21.5	171.3	-65.7	-69.3	0	0	0	113.1	L355 F357 F381 L391 W396 L403 S404 N408 L409 L438	L355-F406 HydrophobicContact CD1-CE1 3.62Å; L355-F406 HydrophobicContact CD1-CZ 3.83Å; F357-F406 HydrophobicContact CE2-CE2 4.02Å; F357-F406 AromaticContact CE2-CZ 3.68Å; F357-F406 HydrophobicContact CE2-CZ 3.68Å; F357-F406 HydrophobicContact CZ-CE2 4.17Å; F357-F406 AromaticContact CZ-CZ 3.72Å; F357-F406 HydrophobicContact CZ-CZ 3.72Å; F381-F406 HydrophobicContact CB-CD1 4.01Å; F381-F406 HydrophobicContact CB-CE1 3.59Å; F381-F406 HydrophobicContact CB-CZ 4.04Å; F381-F406 HydrophobicContact CD1-CE1 4.06Å; F381-F406 HydrophobicContact CD1-CZ 4.39Å; F381-F406 HydrophobicContact CD2-CE1 4.47Å; F381-F406 HydrophobicContact CD2-CZ 4.17Å; F381-F406 AromaticContact CG-CE1 3.79Å; F381-F406 HydrophobicContact CG-CE1 3.79Å; F381-F406 AromaticContact CG-CZ 3.94Å; F381-F406 HydrophobicContact CG-CZ 3.94Å; L391-F406 HydrophobicContact CD1-CE2 4.17Å; L391-F406 HydrophobicContact CD1-CZ 4.03Å; L391-F406 HydrophobicContact CD2-CD2 4.33Å; L391-F406 HydrophobicContact CD2-CE2 4.39Å; L391-F406 HydrophobicContact CD2-CG 4.5Å; W396-F406 HydrophobicContact CH2-CE2 4.04Å; L403-F406 PolarHBondContact O-N 3.02Å; S404-F406 PolarHBondContact O-N 2.88Å; F406-N408 PolarHBondContact O-N 2.79Å; F406-N408 VanDerWaalsContact O-N 3.09Å; F406-L409 HydrophobicContact CB-CB 4.16Å; F406-L409 HydrophobicContact CB-CD2 4.32Å; F406-L409 HydrophobicContact CD1-CD2 4.44Å; F406-L409 WeakPolarHBondContact O-CB 3.45Å; F406-L409 PolarHBondContact O-N 3.33Å; F406-L438 HydrophobicContact CB-CD2 3.57Å
407	S	91.6	Very high	89.9	Confident	25 Å²	25	47.3 Å²	47.3	18%	0.175	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.1	-176.1	48.4	0	0	0	0	115.3	S404 R439 S440	S404-S407 WeakPolarHBondContact O-CB 3.32Å; S404-S407 PolarHBondContact O-N 2.92Å; S404-S407 PolarHBondContact O-OG 2.99Å; S407-R439 VanDerWaalsContact O-CG 3.29Å; S407-R439 WeakPolarHBondContact O-CG 3.35Å; S407-S440 WeakPolarHBondContact O-CB 3.25Å; S407-S440 PolarHBondContact O-N 2.9Å; S407-S440 PolarHBondContact O-OG 3.36Å
408	N	91.3	Very high	89.1	Confident	68 Å²	68	50.5 Å²	50.5	36%	0.364	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.6	175.3	-70.5	-38.7	0	0	0	114.5	N382 V384 F406 Q410	N382-N408 PolarHBondContact O-ND2 3.25Å; V384-N408 CarbonylContact O-C 3.19Å; F406-N408 PolarHBondContact O-N 2.79Å; F406-N408 VanDerWaalsContact O-N 3.09Å; N408-Q410 PolarHBondContact O-N 3.06Å
409	L	94.4	Very high	88.1	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.254	C	S	.	.			trans	-66.6	116	178.6	179	63.8	0	0	0	110	V384 I387 L391 F406 I412 S440 L441	V384-L409 HydrophobicContact CG1-CD1 4.07Å; V384-L409 WeakPolarHBondContact O-CA 3.46Å; V384-L409 PolarHBondContact O-N 3.34Å; I387-L409 HydrophobicContact CD1-CD1 3.89Å; I387-L409 HydrophobicContact CD1-CD2 3.97Å; I387-L409 HydrophobicContact CG1-CD1 3.84Å; L391-L409 HydrophobicContact CD2-CD2 3.99Å; F406-L409 HydrophobicContact CB-CB 4.16Å; F406-L409 HydrophobicContact CB-CD2 4.32Å; F406-L409 HydrophobicContact CD1-CD2 4.44Å; F406-L409 WeakPolarHBondContact O-CB 3.45Å; F406-L409 PolarHBondContact O-N 3.33Å; L409-I412 HydrophobicContact CD2-CD1 4.2Å; L409-I412 HydrophobicContact CD2-CG1 4.18Å; L409-S440 CarbonylContact O-C 3.58Å; L409-L441 WeakPolarHBondContact O-CA 3.42Å; L409-L441 PolarHBondContact O-N 3.3Å; L409-L441 VanDerWaalsContact O-N 3.1Å
410	Q	91.4	Very high	86.7	Confident	69 Å²	69	53.5 Å²	53.5	32%	0.322	27%	0.268	S	S	.	.			trans	-100.6	-38.3	-175.6	-71.7	163.1	53.2	0	0	113.1	Q385 N408 S440 Q442 K443	Q385-Q410 PolarHBondContact O-N 3Å; N408-Q410 PolarHBondContact O-N 3.06Å; Q410-S440 WeakPolarHBondContact CA-O 3.29Å; Q410-Q442 PolarHBondContact O-N 3.35Å; Q410-K443 PolarHBondContact O-N 3.14Å
411	T	90	Very high	85.3	Confident	27 Å²	27	61.3 Å²	61.3	17%	0.166	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.4	-173.5	-59.5	0	0	0	0	111.8	Q385 E386 I387 Q413 K443	Q385-T411 PolarHBondContact O-N 3.39Å; E386-T411 WeakPolarHBondContact CA-O 3.49Å; I387-T411 PolarHBondContact N-O 2.99Å; I387-T411 VanDerWaalsContact N-O 3.1Å; T411-Q413 HydrophobicContact CG2-CG 4.21Å; T411-K443 WeakPolarHBondContact CA-O 3.47Å; T411-K443 HydrophobicContact CG2-CB 4.35Å
412	I	92.4	Very high	84.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.5	158.4	-49.2	-179.9	0	0	0	107.6	I387 D389 L391 L409 F425 K443 L444 N445	I387-I412 HydrophobicContact CB-CG2 4.36Å; I387-I412 HydrophobicContact CG2-CG2 4.42Å; I387-I412 WeakPolarHBondContact O-CA 3.43Å; D389-I412 VanDerWaalsContact O-CG2 3.29Å; D389-I412 WeakPolarHBondContact O-CG2 3.38Å; L391-I412 HydrophobicContact CB-CD1 3.88Å; L391-I412 HydrophobicContact CD2-CD1 4.46Å; L409-I412 HydrophobicContact CD2-CD1 4.2Å; L409-I412 HydrophobicContact CD2-CG1 4.18Å; I412-F425 HydrophobicContact CD1-CB 4.34Å; I412-F425 HydrophobicContact CD1-CD2 4.27Å; I412-K443 PolarHBondContact N-O 3.28Å; I412-L444 HydrophobicContact CB-CD2 3.64Å; I412-L444 HydrophobicContact CD1-CD2 3.82Å; I412-L444 HydrophobicContact CG1-CD2 3.85Å; I412-L444 WeakPolarHBondContact O-CA 3.19Å; I412-N445 PolarHBondContact O-N 3.39Å
413	Q	84.3	Confident	84.3	Confident	51 Å²	51	58 Å²	58	24%	0.238	28%	0.276	C	S	.	.			trans	-81	-24.7	-170.7	-64.9	-87.7	4.7	0	0	113.5	E386 I387 T388 T411 R415 N445 D446	E386-Q413 HydrophobicContact CG-CG 4.09Å; E386-Q413 WeakPolarHBondContact OE1-CG 3.17Å; E386-Q413 PolarHBondContact OE1-NE2 2.85Å; I387-Q413 PolarHBondContact O-N 3.47Å; T388-Q413 VanDerWaalsContact O-CB 3.28Å; T388-Q413 WeakPolarHBondContact O-CB 3.41Å; T411-Q413 HydrophobicContact CG2-CG 4.21Å; Q413-R415 VanDerWaalsContact C-N 3.33Å; Q413-R415 HydrophobicContact CB-CG 4.11Å; Q413-R415 PolarHBondContact O-N 3.02Å; Q413-N445 WeakPolarHBondContact O-CB 3.32Å; Q413-N445 PolarHBondContact OE1-ND2 3.32Å; Q413-D446 PolarHBondContact O-N 2.82Å
414	G	83.1	Confident	84	Confident	4 Å²	4	58.1 Å²	58.1	4%	0.041	28%	0.276	C	S	.	.			trans	71.4	19.4	177	0	0	0	0	0	115.2	T388 D389 K416 L417	T388-G414 PolarHBondContact O-N 3.07Å; D389-G414 WeakPolarHBondContact O-CA 3.4Å; D389-G414 PolarHBondContact O-N 3.39Å; G414-K416 PolarHBondContact O-N 3.11Å; G414-L417 WeakPolarHBondContact O-CD2 3.46Å
415	R	79.3	Confident	84.1	Confident	170 Å²	170	55.8 Å²	55.8	64%	0.642	26%	0.26	S	S	*	.	S	Bend	trans	-60.7	-30.2	-175.1	-64.2	178.4	-164.2	178.8	7.4	113.2	E386 T388 Q413	E386-R415 IonicContact OE1-NH2 2.74Å; T388-R415 VanDerWaalsContact O-CB 3.28Å; T388-R415 WeakPolarHBondContact O-CB 3.23Å; T388-R415 WeakPolarHBondContact O-CG 3.23Å; T388-R415 PolarHBondContact O-N 3.22Å; Q413-R415 VanDerWaalsContact C-N 3.33Å; Q413-R415 HydrophobicContact CB-CG 4.11Å; Q413-R415 PolarHBondContact O-N 3.02Å
416	K	78.4	Confident	84	Confident	99 Å²	99	55.4 Å²	55.4	43%	0.43	26%	0.257	S	S	.	.	S	Bend	trans	-129	148.2	167.2	-162.8	-173.7	-172.7	-170.4	0	106.8	E330 D389 G414	E330-K416 WeakPolarHBondContact OE1-CD 3.34Å; E330-K416 WeakPolarHBondContact OE1-CE 3.37Å; E330-K416 IonicContact OE1-NZ 2.75Å; E330-K416 PolarHBondContact OE1-NZ 3.41Å; E330-K416 WeakPolarHBondContact OE2-CD 3.39Å; E330-K416 IonicContact OE2-NZ 2.79Å; E330-K416 PolarHBondContact OE2-NZ 2.98Å; D389-K416 CarbonylContact C-O 3.13Å; D389-K416 HydrophobicContact CB-CB 3.96Å; D389-K416 WeakPolarHBondContact OD2-CB 3.26Å; G414-K416 PolarHBondContact O-N 3.11Å
417	L	83.2	Confident	84	Confident	46 Å²	46	55.4 Å²	55.4	24%	0.241	26%	0.257	C	S	.	.			trans	-126.6	144.9	-172.4	-58.8	178.2	0	0	0	111.1	G414 Y423 G447	G414-L417 WeakPolarHBondContact O-CD2 3.46Å; L417-Y423 WeakPolarHBondContact CA-O 3.33Å; L417-G447 VanDerWaalsContact CD2-CA 3.44Å
418	Y	77.4	Confident	84.1	Confident	75 Å²	75	56.6 Å²	56.6	29%	0.294	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-76.4	132.2	177.6	-167.6	-94.9	0	0	0	111.6	Y390 N392 Q394 G422 Y423 L426	Y390-Y418 HydrophobicContact CD2-CD2 4.14Å; Y390-Y418 HydrophobicContact CD2-CG 4.43Å; Y390-Y418 AromaticContact CE2-CD2 3.51Å; Y390-Y418 HydrophobicContact CE2-CD2 3.51Å; Y390-Y418 HydrophobicContact CE2-CE2 4.42Å; Y390-Y418 HydrophobicContact CE2-CG 4.23Å; Y390-Y418 AromaticContact CZ-CD2 3.94Å; N392-Y418 HydrophobicContact CB-CD2 4.5Å; N392-Y418 WeakPolarHBondContact ND2-CE2 3.16Å; Q394-Y418 PolarHBondContact NE2-OH 2.91Å; Y418-G422 PolarHBondContact O-N 2.89Å; Y418-Y423 PolarHBondContact N-O 3.01Å; Y418-Y423 PolarHBondContact O-N 3.28Å; Y418-L426 HydrophobicContact CD1-CD2 3.31Å; Y418-L426 HydrophobicContact CE1-CD2 3.42Å; Y418-L426 VanDerWaalsContact CE1-CD2 3.42Å; Y418-L426 HydrophobicContact CG-CD2 4.03Å
419	S	69.6	Low	84.2	Confident	76 Å²	76	58 Å²	58	53%	0.531	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	160.2	-177.9	-165.6	0	0	0	0	115.4	R421 G422	S419-R421 PolarHBondContact O-N 2.79Å; S419-G422 PolarHBondContact O-N 3.32Å
420	F	60.4	Low	84.2	Confident	214 Å²	214	58 Å²	58	94%	0.939	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.2	174.9	-177.8	-95.6	0	0	0	113.3
421	R	63.3	Low	84.1	Confident	201 Å²	201	57.7 Å²	57.7	76%	0.758	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.2	175.7	-62.6	-173.2	-177.7	-161.1	0.2	114.1	S419 Y423	S419-R421 PolarHBondContact O-N 2.79Å; R421-Y423 HydrophobicContact CB-CE2 3.68Å
422	G	78.2	Confident	84.2	Confident	16 Å²	16	57.4 Å²	57.4	17%	0.165	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	69	166.2	0	0	0	0	0	115.8	Y418 S419 G448	Y418-G422 PolarHBondContact O-N 2.89Å; S419-G422 PolarHBondContact O-N 3.32Å; G422-G448 PolarHBondContact O-N 2.99Å
423	Y	86.8	Confident	84.2	Confident	14 Å²	14	57.4 Å²	57.4	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.6	174.9	-52.5	-66.4	0	0	0	112.2	L417 Y418 R421 G448 Y450 V480	L417-Y423 WeakPolarHBondContact CA-O 3.33Å; Y418-Y423 PolarHBondContact N-O 3.01Å; Y418-Y423 PolarHBondContact O-N 3.28Å; R421-Y423 HydrophobicContact CB-CE2 3.68Å; Y423-G448 CarbonylContact C-O 3.53Å; Y423-G448 VanDerWaalsContact CA-O 3.32Å; Y423-G448 WeakPolarHBondContact CA-O 3.42Å; Y423-Y450 HydrophobicContact CD2-CD2 4.33Å; Y423-Y450 AromaticContact CE1-CD2 3.98Å; Y423-Y450 HydrophobicContact CE1-CD2 3.98Å; Y423-Y450 AromaticContact CE2-CD2 3.75Å; Y423-Y450 HydrophobicContact CE2-CD2 3.75Å; Y423-Y450 HydrophobicContact CE2-CE2 4.37Å; Y423-Y450 HydrophobicContact CE2-CG 4.46Å; Y423-Y450 AromaticContact CZ-CD2 3.57Å; Y423-V480 HydrophobicContact CE1-CG2 4.2Å
424	S	88.3	Confident	84.7	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-18.3	171.9	48.5	0	0	0	0	113.1	Y390 L391 D446 G447 G448	Y390-S424 VanDerWaalsContact CA-O 3.27Å; Y390-S424 WeakPolarHBondContact CA-O 3.23Å; Y390-S424 WeakPolarHBondContact CB-O 3.47Å; L391-S424 PolarHBondContact N-O 3.23Å; S424-D446 WeakPolarHBondContact CB-O 3.47Å; S424-D446 PolarHBondContact OG-O 3.19Å; S424-G447 WeakPolarHBondContact OG-CA 3.33Å; S424-G448 PolarHBondContact N-O 3.29Å
425	F	92.9	Very high	85.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.5	171.1	-178	-124.4	0	0	0	110.8	L391 L403 I412 V427 L438 L444 G448 V449 Y450 I451 W465	L391-F425 HydrophobicContact CB-CD2 4.18Å; L391-F425 HydrophobicContact CD2-CD2 4.07Å; L391-F425 HydrophobicContact CD2-CE2 3.86Å; L391-F425 HydrophobicContact CG-CD2 4.18Å; L391-F425 HydrophobicContact CG-CE2 4.22Å; L391-F425 WeakPolarHBondContact O-CA 3.39Å; L403-F425 HydrophobicContact CD1-CZ 4.34Å; I412-F425 HydrophobicContact CD1-CB 4.34Å; I412-F425 HydrophobicContact CD1-CD2 4.27Å; F425-V427 HydrophobicContact CD2-CG2 4.38Å; F425-V427 HydrophobicContact CE1-CG2 3.86Å; F425-V427 HydrophobicContact CE2-CG2 3.56Å; F425-V427 HydrophobicContact CZ-CG2 3.25Å; F425-L438 HydrophobicContact CE1-CD1 4.08Å; F425-L438 HydrophobicContact CE2-CD1 4.01Å; F425-L438 HydrophobicContact CZ-CD1 3.49Å; F425-L438 VanDerWaalsContact CZ-CD1 3.49Å; F425-L444 HydrophobicContact CB-CD1 4.43Å; F425-L444 HydrophobicContact CB-CD2 4.48Å; F425-G448 PolarHBondContact N-O 3.44Å; F425-V449 HydrophobicContact CB-CG2 4.43Å; F425-V449 HydrophobicContact CD1-CG1 4.14Å; F425-V449 WeakPolarHBondContact O-CA 3.28Å; F425-Y450 PolarHBondContact O-N 3.49Å; F425-I451 HydrophobicContact CD1-CD1 4.48Å; F425-I451 HydrophobicContact CE1-CD1 4.02Å; F425-I451 HydrophobicContact CE1-CG1 4.43Å; F425-W465 HydrophobicContact CD1-CH2 4.02Å; F425-W465 HydrophobicContact CD1-CZ3 4.14Å; F425-W465 AromaticContact CE1-CH2 3.85Å; F425-W465 HydrophobicContact CE1-CH2 3.85Å; F425-W465 HydrophobicContact CE1-CZ3 4.41Å
426	L	93.1	Very high	85.9	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.9	-173.6	166.5	56.4	0	0	0	110.1	L391 N392 I393 Y418 M428 Y450	L391-L426 PolarHBondContact O-N 3.02Å; N392-L426 HydrophobicContact CB-CD2 4.48Å; N392-L426 WeakPolarHBondContact OD1-CD2 3.31Å; N392-L426 WeakPolarHBondContact OD1-CG 3.24Å; I393-L426 PolarHBondContact N-O 3.17Å; Y418-L426 HydrophobicContact CD1-CD2 3.31Å; Y418-L426 HydrophobicContact CE1-CD2 3.42Å; Y418-L426 VanDerWaalsContact CE1-CD2 3.42Å; Y418-L426 HydrophobicContact CG-CD2 4.03Å; L426-M428 HydrophobicContact CD1-CB 4.27Å; L426-M428 HydrophobicContact CD1-CG 3.92Å; L426-M428 HydrophobicContact CD1-SD 3.89Å; L426-Y450 WeakPolarHBondContact CA-O 3.48Å; L426-Y450 HydrophobicContact CD1-CD1 3.3Å; L426-Y450 HydrophobicContact CD1-CE1 4.08Å; L426-Y450 HydrophobicContact CD1-CG 3.82Å
427	V	94.8	Very high	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	108.9	177.3	-177.2	0	0	0	0	109.2	I393 L403 F425 I430 L433 Y450 I451 T452 N454	I393-V427 HydrophobicContact CB-CG2 4.49Å; I393-V427 HydrophobicContact CD1-CG2 4.43Å; I393-V427 CarbonylContact O-C 3.59Å; I393-V427 WeakPolarHBondContact O-CA 3.43Å; L403-V427 HydrophobicContact CD1-CG2 4.12Å; F425-V427 HydrophobicContact CD2-CG2 4.38Å; F425-V427 HydrophobicContact CE1-CG2 3.86Å; F425-V427 HydrophobicContact CE2-CG2 3.56Å; F425-V427 HydrophobicContact CZ-CG2 3.25Å; V427-I430 HydrophobicContact CG1-CD1 3.59Å; V427-L433 HydrophobicContact CG1-CD2 3.83Å; V427-Y450 PolarHBondContact N-O 3.02Å; V427-I451 HydrophobicContact CB-CG1 4.46Å; V427-I451 HydrophobicContact CB-CG2 4.49Å; V427-I451 VanDerWaalsContact O-CA 3.29Å; V427-I451 WeakPolarHBondContact O-CA 3.14Å; V427-T452 PolarHBondContact O-N 2.88Å; V427-T452 VanDerWaalsContact O-N 3.17Å; V427-N454 PolarHBondContact O-ND2 2.92Å
428	M	93.3	Very high	87	Confident	51 Å²	51	42.9 Å²	42.9	25%	0.251	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.8	-174.5	62.7	175.9	-78.2	0	0	116.5	I393 Q394 L426 I430 Y450 T452	I393-M428 PolarHBondContact O-N 3.25Å; Q394-M428 HydrophobicContact CG-CG 4.21Å; L426-M428 HydrophobicContact CD1-CB 4.27Å; L426-M428 HydrophobicContact CD1-CG 3.92Å; L426-M428 HydrophobicContact CD1-SD 3.89Å; M428-I430 VanDerWaalsContact C-N 3.29Å; M428-I430 PolarHBondContact O-N 3.15Å; M428-Y450 HydrophobicContact CB-CE1 4.36Å; M428-Y450 HydrophobicContact SD-CE1 4.2Å; M428-T452 WeakPolarHBondContact CA-O 3.03Å
429	N	93.1	Very high	87.6	Confident	96 Å²	96	42.5 Å²	42.5	51%	0.513	21%	0.213	S	C	.	.	S	Bend	trans	63	24.7	172.6	-159	74.8	0	0	0	115.4	P431 T452 K453 N454	N429-P431 WeakPolarHBondContact O-CD 3.12Å; N429-T452 PolarHBondContact N-O 2.84Å; N429-K453 HydrophobicContact CB-CB 4.35Å; N429-N454 PolarHBondContact N-OD1 2.86Å; N429-N454 VanDerWaalsContact N-OD1 3.15Å
430	I	94.1	Very high	88.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.197	C	C	.	.			trans	-93	116.4	-178	-48.4	172.1	0	0	0	109.8	I393 W396 V427 M428 L433 N454	I393-I430 HydrophobicContact CB-CD1 4.38Å; I393-I430 HydrophobicContact CG2-CD1 3.64Å; W396-I430 HydrophobicContact CB-CD1 4.12Å; W396-I430 HydrophobicContact CB-CG2 3.7Å; V427-I430 HydrophobicContact CG1-CD1 3.59Å; M428-I430 VanDerWaalsContact C-N 3.29Å; M428-I430 PolarHBondContact O-N 3.15Å; I430-L433 HydrophobicContact CB-CB 4.13Å; I430-L433 HydrophobicContact CD1-CD2 4.35Å; I430-L433 HydrophobicContact CG2-CB 3.83Å; I430-N454 PolarHBondContact N-OD1 3.26Å; I430-N454 WeakPolarHBondContact O-CA 3.35Å
431	P	89.2	Confident	90.1	Very high	63 Å²	63	30.3 Å²	30.3	41%	0.409	15%	0.154	S	C	.	.	S	Bend	trans	-82.9	-30.9	-177.7	32.1	-34.2	0	0	0	113.5	N429 L433 N456	N429-P431 WeakPolarHBondContact O-CD 3.12Å; P431-L433 VanDerWaalsContact C-N 3.31Å; P431-L433 PolarHBondContact O-N 2.92Å; P431-N456 PolarHBondContact O-ND2 2.8Å
432	S	92.1	Very high	91.2	Very high	21 Å²	21	26.7 Å²	26.7	15%	0.147	15%	0.146	C	C	.	.	S	Bend	trans	-72.2	-22.1	-178.9	53.7	0	0	0	0	114	P397 S401 T434	P397-S432 PolarHBondContact O-OG 3.36Å; S401-S432 WeakPolarHBondContact CA-O 3.49Å; S432-T434 PolarHBondContact O-N 3.24Å
433	L	94.4	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-74.3	118.2	-169.9	-154.9	76.6	0	0	0	112.2	L403 V427 I430 P431 L436 N456 L457	L403-L433 HydrophobicContact CD2-CD1 3.68Å; L403-L433 HydrophobicContact CD2-CD2 4.49Å; L403-L433 HydrophobicContact CG-CD1 4.01Å; V427-L433 HydrophobicContact CG1-CD2 3.83Å; I430-L433 HydrophobicContact CB-CB 4.13Å; I430-L433 HydrophobicContact CD1-CD2 4.35Å; I430-L433 HydrophobicContact CG2-CB 3.83Å; P431-L433 VanDerWaalsContact C-N 3.31Å; P431-L433 PolarHBondContact O-N 2.92Å; L433-L436 HydrophobicContact CD2-CD2 4.23Å; L433-N456 CarbonylContact O-C 3.48Å; L433-N456 VanDerWaalsContact O-C 3.29Å; L433-L457 HydrophobicContact CD2-CD1 3.98Å; L433-L457 HydrophobicContact CD2-CD2 4.3Å; L433-L457 HydrophobicContact CG-CD1 4.12Å; L433-L457 VanDerWaalsContact O-CA 3.28Å; L433-L457 WeakPolarHBondContact O-CA 3.44Å; L433-L457 PolarHBondContact O-N 3.01Å; L433-L457 VanDerWaalsContact O-N 3.1Å
434	T	93.7	Very high	91.6	Very high	47 Å²	47	30.3 Å²	30.3	29%	0.288	16%	0.157	S	C	.	.	S	Bend	trans	-105.9	-24.6	176.9	64.9	0	0	0	0	113	S401 S432 N456 C458	S401-T434 PolarHBondContact O-N 3.2Å; S401-T434 PolarHBondContact O-OG1 3.19Å; S432-T434 PolarHBondContact O-N 3.24Å; T434-N456 HydrophobicContact CG2-CB 4.45Å; T434-C458 PolarHBondContact O-N 3.18Å
435	S	94.8	Very high	91.3	Very high	13 Å²	13	32.8 Å²	32.8	9%	0.091	17%	0.171	C	C	.	.			trans	-150.1	163.6	-179.3	52.6	0	0	0	0	111.1	S401 N402	S401-S435 PolarHBondContact O-N 3.18Å; N402-S435 WeakPolarHBondContact CA-O 3.43Å; N402-S435 WeakPolarHBondContact CB-O 3.27Å; N402-S435 WeakPolarHBondContact CB-OG 3.41Å
436	L	93.5	Very high	90.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.185	C	C	.	.			trans	-87.4	-43.6	-179	-69.2	176.4	0	0	0	112.1	L403 L433 L438 I451 L457 W465 W506	L403-L436 CarbonylContact C-O 3.6Å; L403-L436 WeakPolarHBondContact CA-O 3.38Å; L403-L436 WeakPolarHBondContact CB-O 3.3Å; L403-L436 HydrophobicContact CD1-CD2 4.12Å; L403-L436 PolarHBondContact N-O 2.85Å; L433-L436 HydrophobicContact CD2-CD2 4.23Å; L436-L438 VanDerWaalsContact C-N 3.29Å; L436-L438 HydrophobicContact CB-CG 4.34Å; L436-L438 PolarHBondContact O-N 2.89Å; L436-I451 HydrophobicContact CD1-CD1 4.16Å; L436-L457 HydrophobicContact CD2-CD1 4.34Å; L436-L457 HydrophobicContact CD2-CD2 4.35Å; L436-L457 HydrophobicContact CG-CD1 4.37Å; L436-W465 HydrophobicContact CD1-CH2 4.14Å; L436-W465 HydrophobicContact CD1-CZ2 3.85Å; L436-W506 HydrophobicContact CB-CE3 4.06Å; L436-W506 HydrophobicContact CD1-CE3 4.01Å; L436-W506 HydrophobicContact CD1-CZ3 3.96Å; L436-W506 PolarHBondContact N-O 2.75Å
437	G	92	Very high	89.8	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.187	C	C	.	.			trans	74.9	8.6	177.7	0	0	0	0	0	116.2	R439 W506	G437-R439 PolarHBondContact O-N 3.21Å; G437-W506 PolarHBondContact N-O 2.03Å
438	L	92.6	Very high	89.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.188	C	C	.	.			trans	-81.4	48.9	-174	-58.8	179.5	0	0	0	113.1	L403 F406 F425 L436 S440 L441 W506	L403-L438 HydrophobicContact CB-CD2 4.13Å; F406-L438 HydrophobicContact CB-CD2 3.57Å; F425-L438 HydrophobicContact CE1-CD1 4.08Å; F425-L438 HydrophobicContact CE2-CD1 4.01Å; F425-L438 HydrophobicContact CZ-CD1 3.49Å; F425-L438 VanDerWaalsContact CZ-CD1 3.49Å; L436-L438 VanDerWaalsContact C-N 3.29Å; L436-L438 HydrophobicContact CB-CG 4.34Å; L436-L438 PolarHBondContact O-N 2.89Å; L438-S440 PolarHBondContact O-N 3.46Å; L438-L441 HydrophobicContact CB-CB 4.12Å; L438-L441 HydrophobicContact CB-CD2 4.46Å; L438-L441 HydrophobicContact CD1-CD2 4.05Å; L438-L441 WeakPolarHBondContact O-CB 3.43Å; L438-L441 PolarHBondContact O-N 3.2Å; L438-W506 HydrophobicContact CB-CD2 4.15Å; L438-W506 HydrophobicContact CB-CE3 3.99Å; L438-W506 HydrophobicContact CB-CZ3 4.26Å; L438-W506 PolarHBondContact O-NE1 3.37Å
439	R	89.8	Confident	89.1	Confident	67 Å²	67	33.1 Å²	33.1	25%	0.253	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.6	-166.8	63.6	-175	-68.9	-113.7	2.1	116.2	S407 G437 D511 G522 G523	S407-R439 VanDerWaalsContact O-CG 3.29Å; S407-R439 WeakPolarHBondContact O-CG 3.35Å; G437-R439 PolarHBondContact O-N 3.21Å; R439-D511 PolarHBondContact NE-O 3.48Å; R439-G522 PolarHBondContact NH2-O 2.98Å; R439-G523 PolarHBondContact NH2-O 2.8Å
440	S	91.1	Very high	89	Confident	28 Å²	28	30.9 Å²	30.9	20%	0.196	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.3	-179.7	-62	0	0	0	0	114.9	S407 L409 Q410 L438 Q442	S407-S440 WeakPolarHBondContact O-CB 3.25Å; S407-S440 PolarHBondContact O-N 2.9Å; S407-S440 PolarHBondContact O-OG 3.36Å; L409-S440 CarbonylContact O-C 3.58Å; Q410-S440 WeakPolarHBondContact CA-O 3.29Å; L438-S440 PolarHBondContact O-N 3.46Å; S440-Q442 PolarHBondContact O-N 3.15Å; S440-Q442 VanDerWaalsContact O-N 3.1Å
441	L	91.6	Very high	89	Confident	7 Å²	7	30.8 Å²	30.8	4%	0.037	16%	0.16	C	C	.	.			trans	-71	106.7	-170.3	-177.5	63.1	0	0	0	111.9	L409 L438 L444 I468 W506	L409-L441 WeakPolarHBondContact O-CA 3.42Å; L409-L441 PolarHBondContact O-N 3.3Å; L409-L441 VanDerWaalsContact O-N 3.1Å; L438-L441 HydrophobicContact CB-CB 4.12Å; L438-L441 HydrophobicContact CB-CD2 4.46Å; L438-L441 HydrophobicContact CD1-CD2 4.05Å; L438-L441 WeakPolarHBondContact O-CB 3.43Å; L438-L441 PolarHBondContact O-N 3.2Å; L441-L444 HydrophobicContact CD1-CD2 4.32Å; L441-I468 HydrophobicContact CG-CG2 4.47Å; L441-W506 HydrophobicContact CB-CH2 4.31Å; L441-W506 HydrophobicContact CB-CZ2 3.99Å; L441-W506 HydrophobicContact CD2-CH2 3.9Å; L441-W506 HydrophobicContact CD2-CZ2 4.41Å; L441-W506 HydrophobicContact CG-CH2 4.42Å; L441-W506 HydrophobicContact CG-CZ2 4.47Å
442	Q	86.4	Confident	89.1	Confident	125 Å²	125	27.9 Å²	27.9	58%	0.584	14%	0.141	S	C	*	.			trans	-101.4	-33.6	-177.5	-71.9	171	36	0	0	113	Q410 S440	Q410-Q442 PolarHBondContact O-N 3.35Å; S440-Q442 PolarHBondContact O-N 3.15Å; S440-Q442 VanDerWaalsContact O-N 3.1Å
443	K	87	Confident	89.1	Confident	105 Å²	105	31.4 Å²	31.4	46%	0.457	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.7	-170.1	-66.5	-177.7	-176.3	171.4	0	115	Q410 T411 I412 I468	Q410-K443 PolarHBondContact O-N 3.14Å; T411-K443 WeakPolarHBondContact CA-O 3.47Å; T411-K443 HydrophobicContact CG2-CB 4.35Å; I412-K443 PolarHBondContact N-O 3.28Å; K443-I468 WeakPolarHBondContact CA-O 3.4Å
444	L	86.9	Confident	89.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.1	159.7	-58	175.9	0	0	0	106.5	I412 F425 L441 V449 W465 I468 I469 S470	I412-L444 HydrophobicContact CB-CD2 3.64Å; I412-L444 HydrophobicContact CD1-CD2 3.82Å; I412-L444 HydrophobicContact CG1-CD2 3.85Å; I412-L444 WeakPolarHBondContact O-CA 3.19Å; F425-L444 HydrophobicContact CB-CD1 4.43Å; F425-L444 HydrophobicContact CB-CD2 4.48Å; L441-L444 HydrophobicContact CD1-CD2 4.32Å; L444-V449 HydrophobicContact CD1-CG2 3.33Å; L444-W465 HydrophobicContact CD1-CZ3 4.41Å; L444-I468 HydrophobicContact CD1-CG2 4.4Å; L444-I468 HydrophobicContact CG-CG2 3.94Å; L444-I468 PolarHBondContact N-O 3.04Å; L444-I469 HydrophobicContact CB-CG1 4.35Å; L444-I469 HydrophobicContact CD1-CG1 4.04Å; L444-I469 WeakPolarHBondContact O-CA 3.41Å; L444-S470 PolarHBondContact O-N 2.9Å
445	N	82	Confident	89	Confident	54 Å²	54	36.8 Å²	36.8	29%	0.289	17%	0.173	S	C	.	.			trans	-79.4	-42.5	-168.7	-71.7	-17.9	0	0	0	113	I412 Q413	I412-N445 PolarHBondContact O-N 3.39Å; Q413-N445 WeakPolarHBondContact O-CB 3.32Å; Q413-N445 PolarHBondContact OE1-ND2 3.32Å
446	D	77.3	Confident	88.9	Confident	55 Å²	55	39.5 Å²	39.5	29%	0.294	19%	0.186	S	C	.	.	S	Bend	trans	-135.3	170.3	163.2	-163.4	11.7	0	0	0	110.2	Q413 S424	Q413-D446 PolarHBondContact O-N 2.82Å; S424-D446 WeakPolarHBondContact CB-O 3.47Å; S424-D446 PolarHBondContact OG-O 3.19Å
447	G	76.7	Confident	89	Confident	7 Å²	7	39.4 Å²	39.4	7%	0.072	19%	0.186	C	C	.	.	S	Bend	trans	88.7	161.6	-179	0	0	0	0	0	114.8	L417 S424	L417-G447 VanDerWaalsContact CD2-CA 3.44Å; S424-G447 WeakPolarHBondContact OG-CA 3.33Å
448	G	83.7	Confident	89	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	171.1	175.7	0	0	0	0	0	115	G422 Y423 S424 F425 S478	G422-G448 PolarHBondContact O-N 2.99Å; Y423-G448 CarbonylContact C-O 3.53Å; Y423-G448 VanDerWaalsContact CA-O 3.32Å; Y423-G448 WeakPolarHBondContact CA-O 3.42Å; S424-G448 PolarHBondContact N-O 3.29Å; F425-G448 PolarHBondContact N-O 3.44Å; G448-S478 CarbonylContact C-O 2.8Å; G448-S478 WeakPolarHBondContact CA-O 3.31Å
449	V	89.3	Confident	89	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	175.1	172.9	0	0	0	0	109.7	F425 L444 I451 W465 I469 S478 R479 V480 I481	F425-V449 HydrophobicContact CB-CG2 4.43Å; F425-V449 HydrophobicContact CD1-CG1 4.14Å; F425-V449 WeakPolarHBondContact O-CA 3.28Å; L444-V449 HydrophobicContact CD1-CG2 3.33Å; V449-I451 HydrophobicContact CG1-CD1 3.75Å; V449-I451 HydrophobicContact CG1-CG1 3.79Å; V449-W465 HydrophobicContact CB-CE3 4.42Å; V449-W465 HydrophobicContact CG1-CD2 4.33Å; V449-W465 HydrophobicContact CG1-CE3 4.09Å; V449-W465 HydrophobicContact CG1-CH2 4.23Å; V449-W465 HydrophobicContact CG1-CZ2 4.47Å; V449-W465 HydrophobicContact CG1-CZ3 4.03Å; V449-W465 HydrophobicContact CG2-CE3 3.72Å; V449-W465 HydrophobicContact CG2-CZ3 3.89Å; V449-I469 HydrophobicContact CG2-CD1 3.99Å; V449-I469 HydrophobicContact CG2-CG1 4.37Å; V449-S478 PolarHBondContact N-O 3.3Å; V449-R479 WeakPolarHBondContact O-CA 3.39Å; V449-V480 PolarHBondContact O-N 3.48Å; V449-I481 HydrophobicContact CG1-CD1 4.33Å
450	Y	90.9	Very high	89	Confident	49 Å²	49	38.5 Å²	38.5	19%	0.192	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.9	177.9	-169.1	-76.6	0	0	0	110	Y423 F425 L426 V427 M428 T452 V480	Y423-Y450 HydrophobicContact CD2-CD2 4.33Å; Y423-Y450 AromaticContact CE1-CD2 3.98Å; Y423-Y450 HydrophobicContact CE1-CD2 3.98Å; Y423-Y450 AromaticContact CE2-CD2 3.75Å; Y423-Y450 HydrophobicContact CE2-CD2 3.75Å; Y423-Y450 HydrophobicContact CE2-CE2 4.37Å; Y423-Y450 HydrophobicContact CE2-CG 4.46Å; Y423-Y450 AromaticContact CZ-CD2 3.57Å; F425-Y450 PolarHBondContact O-N 3.49Å; L426-Y450 WeakPolarHBondContact CA-O 3.48Å; L426-Y450 HydrophobicContact CD1-CD1 3.3Å; L426-Y450 HydrophobicContact CD1-CE1 4.08Å; L426-Y450 HydrophobicContact CD1-CG 3.82Å; V427-Y450 PolarHBondContact N-O 3.02Å; M428-Y450 HydrophobicContact CB-CE1 4.36Å; M428-Y450 HydrophobicContact SD-CE1 4.2Å; Y450-T452 HydrophobicContact CD1-CG2 3.91Å; Y450-T452 HydrophobicContact CE1-CG2 3.58Å; Y450-T452 WeakPolarHBondContact CE1-OG1 3.03Å; Y450-T452 HydrophobicContact CE2-CG2 4.49Å; Y450-V480 CarbonylContact C-O 3.52Å; Y450-V480 WeakPolarHBondContact CA-O 3.22Å; Y450-V480 HydrophobicContact CD2-CB 3.58Å; Y450-V480 HydrophobicContact CD2-CG1 3.77Å; Y450-V480 HydrophobicContact CD2-CG2 4.11Å; Y450-V480 HydrophobicContact CE2-CB 3.98Å; Y450-V480 HydrophobicContact CE2-CG1 3.64Å; Y450-V480 HydrophobicContact CE2-CG2 4.47Å; Y450-V480 HydrophobicContact CG-CB 4.28Å
451	I	93.3	Very high	88.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	98	-177.8	-54	175.9	0	0	0	109	F425 V427 L436 V449 N454 L457 W465 V480 I481 K482 N484	F425-I451 HydrophobicContact CD1-CD1 4.48Å; F425-I451 HydrophobicContact CE1-CD1 4.02Å; F425-I451 HydrophobicContact CE1-CG1 4.43Å; V427-I451 HydrophobicContact CB-CG1 4.46Å; V427-I451 HydrophobicContact CB-CG2 4.49Å; V427-I451 VanDerWaalsContact O-CA 3.29Å; V427-I451 WeakPolarHBondContact O-CA 3.14Å; L436-I451 HydrophobicContact CD1-CD1 4.16Å; V449-I451 HydrophobicContact CG1-CD1 3.75Å; V449-I451 HydrophobicContact CG1-CG1 3.79Å; I451-N454 WeakPolarHBondContact CG2-ND2 3.29Å; I451-L457 HydrophobicContact CG2-CD2 3.56Å; I451-W465 HydrophobicContact CD1-CH2 3.9Å; I451-W465 HydrophobicContact CD1-CZ2 3.58Å; I451-V480 PolarHBondContact N-O 2.81Å; I451-I481 HydrophobicContact CB-CG1 4.14Å; I451-I481 HydrophobicContact CB-CG2 4.42Å; I451-I481 HydrophobicContact CD1-CD1 4.32Å; I451-I481 WeakPolarHBondContact O-CA 3.32Å; I451-K482 PolarHBondContact O-N 2.64Å; I451-N484 PolarHBondContact O-ND2 3.32Å
452	T	92.5	Very high	88.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.9	-173.3	79.1	0	0	0	0	115.6	V427 M428 N429 Y450 N454 V480 K482 N484	V427-T452 PolarHBondContact O-N 2.88Å; V427-T452 VanDerWaalsContact O-N 3.17Å; M428-T452 WeakPolarHBondContact CA-O 3.03Å; N429-T452 PolarHBondContact N-O 2.84Å; Y450-T452 HydrophobicContact CD1-CG2 3.91Å; Y450-T452 HydrophobicContact CE1-CG2 3.58Å; Y450-T452 WeakPolarHBondContact CE1-OG1 3.03Å; Y450-T452 HydrophobicContact CE2-CG2 4.49Å; T452-N454 PolarHBondContact N-ND2 3.19Å; T452-N454 PolarHBondContact O-N 3.46Å; T452-N454 PolarHBondContact O-ND2 3.01Å; T452-V480 HydrophobicContact CG2-CG1 4.08Å; T452-K482 WeakPolarHBondContact CA-O 3.21Å; T452-K482 VanDerWaalsContact CB-O 3.27Å; T452-K482 WeakPolarHBondContact CB-O 3.22Å; T452-K482 HydrophobicContact CG2-CG 3.6Å; T452-N484 VanDerWaalsContact C-OD1 3.31Å; T452-N484 WeakPolarHBondContact CA-OD1 3.44Å
453	K	91.6	Very high	88.9	Confident	96 Å²	96	36.6 Å²	36.6	42%	0.417	18%	0.176	S	C	.	.			trans	65.6	13.2	178	-60.4	-177.1	171.9	-175.2	0	115.2	N429 K455 K482 E483 N484	N429-K453 HydrophobicContact CB-CB 4.35Å; K453-K455 PolarHBondContact O-N 2.97Å; K453-K455 VanDerWaalsContact O-N 3.14Å; K453-K482 PolarHBondContact N-O 2.95Å; K453-E483 CarbonylContact C-O 3.55Å; K453-E483 WeakPolarHBondContact CA-O 3.23Å; K453-E483 WeakPolarHBondContact CE-OE2 3.29Å; K453-E483 HydrophobicContact CG-CB 4Å; K453-E483 VanDerWaalsContact CG-OE2 3.29Å; K453-E483 WeakPolarHBondContact CG-OE2 3.32Å; K453-E483 PolarHBondContact N-O 2.72Å; K453-N484 PolarHBondContact N-OD1 3.03Å
454	N	94.6	Very high	88.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.			trans	-87.4	84.5	179.9	-51.3	-57.6	0	0	0	108.8	V427 N429 I430 I451 T452 N456 L457 N484	V427-N454 PolarHBondContact O-ND2 2.92Å; N429-N454 PolarHBondContact N-OD1 2.86Å; N429-N454 VanDerWaalsContact N-OD1 3.15Å; I430-N454 PolarHBondContact N-OD1 3.26Å; I430-N454 WeakPolarHBondContact O-CA 3.35Å; I451-N454 WeakPolarHBondContact CG2-ND2 3.29Å; T452-N454 PolarHBondContact N-ND2 3.19Å; T452-N454 PolarHBondContact O-N 3.46Å; T452-N454 PolarHBondContact O-ND2 3.01Å; N454-N456 PolarHBondContact O-N 3.12Å; N454-N456 VanDerWaalsContact O-N 3.1Å; N454-L457 HydrophobicContact CB-CB 3.71Å; N454-L457 HydrophobicContact CB-CD2 3.83Å; N454-L457 HydrophobicContact CB-CG 4.43Å; N454-L457 WeakPolarHBondContact O-CB 3.14Å; N454-L457 PolarHBondContact O-N 3.34Å; N454-L457 VanDerWaalsContact O-N 3.11Å; N454-N484 WeakPolarHBondContact CB-OD1 3.45Å; N454-N484 PolarHBondContact N-OD1 3.08Å; N454-N484 PolarHBondContact ND2-OD1 3.16Å; N454-N484 WeakPolarHBondContact O-CA 3.25Å
455	K	90.8	Very high	88.8	Confident	159 Å²	159	34.3 Å²	34.3	69%	0.691	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.4	-163.1	-68.1	-179.6	-178.1	172.7	0	115.4	K453 R485	K453-K455 PolarHBondContact O-N 2.97Å; K453-K455 VanDerWaalsContact O-N 3.14Å; K455-R485 WeakPolarHBondContact O-CB 3.38Å
456	N	93.3	Very high	88.7	Confident	71 Å²	71	38 Å²	38	38%	0.38	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.1	-176.9	-70.2	-38.1	0	0	0	114	P431 L433 T434 N454 C458	P431-N456 PolarHBondContact O-ND2 2.8Å; L433-N456 CarbonylContact O-C 3.48Å; L433-N456 VanDerWaalsContact O-C 3.29Å; T434-N456 HydrophobicContact CG2-CB 4.45Å; N454-N456 PolarHBondContact O-N 3.12Å; N454-N456 VanDerWaalsContact O-N 3.1Å; N456-C458 PolarHBondContact O-N 3.26Å
457	L	94.9	Very high	88.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.			trans	-73.7	120.7	-170.1	-178.9	62.7	0	0	0	112.3	L433 L436 I451 N454 Y460 R485	L433-L457 HydrophobicContact CD2-CD1 3.98Å; L433-L457 HydrophobicContact CD2-CD2 4.3Å; L433-L457 HydrophobicContact CG-CD1 4.12Å; L433-L457 VanDerWaalsContact O-CA 3.28Å; L433-L457 WeakPolarHBondContact O-CA 3.44Å; L433-L457 PolarHBondContact O-N 3.01Å; L433-L457 VanDerWaalsContact O-N 3.1Å; L436-L457 HydrophobicContact CD2-CD1 4.34Å; L436-L457 HydrophobicContact CD2-CD2 4.35Å; L436-L457 HydrophobicContact CG-CD1 4.37Å; I451-L457 HydrophobicContact CG2-CD2 3.56Å; N454-L457 HydrophobicContact CB-CB 3.71Å; N454-L457 HydrophobicContact CB-CD2 3.83Å; N454-L457 HydrophobicContact CB-CG 4.43Å; N454-L457 WeakPolarHBondContact O-CB 3.14Å; N454-L457 PolarHBondContact O-N 3.34Å; N454-L457 VanDerWaalsContact O-N 3.11Å; L457-Y460 HydrophobicContact CD2-CD1 4.42Å; L457-Y460 HydrophobicContact CG-CD1 4.08Å; L457-Y460 WeakPolarHBondContact O-CD1 3.42Å; L457-Y460 WeakPolarHBondContact O-CE1 3.19Å; L457-R485 WeakPolarHBondContact O-CB 3.28Å
458	C	93.7	Very high	89.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.198	C	C	.	.			trans	-106.9	-172.7	170.8	-68.5	0	0	0	0	111.3	T434 N456 Y460 C490 H495	T434-C458 PolarHBondContact O-N 3.18Å; N456-C458 PolarHBondContact O-N 3.26Å; C458-Y460 PolarHBondContact O-N 3.47Å; C458-C490 WeakPolarHBondContact CA-SG 3.46Å; C458-C490 HydrophobicContact CB-CB 3.77Å; C458-C490 WeakPolarHBondContact CB-SG 3.16Å; C458-C490 WeakPolarHBondContact SG-CB 3.47Å; C458-C490 CovalentContact SG-SG 2.04Å; C458-C490 PolarHBondContact SG-SG 2.74Å; C458-H495 HydrophobicContact CB-CB 3.92Å; C458-H495 VanDerWaalsContact SG-CD2 3.59Å
459	Y	92.7	Very high	89.1	Confident	16 Å²	16	43.6 Å²	43.6	6%	0.063	20%	0.201	C	C	.	.	S	Bend	trans	64.4	-25.2	175.6	-45.6	-83.9	0	0	0	116.8	N461 T462 H495	Y459-N461 PolarHBondContact O-N 2.74Å; Y459-T462 WeakPolarHBondContact O-CB 3.32Å; Y459-T462 PolarHBondContact O-N 3.37Å; Y459-T462 PolarHBondContact O-OG1 3.43Å; Y459-H495 VanDerWaalsContact CE1-C 3.46Å; Y459-H495 HydrophobicContact CE1-CB 4.4Å; Y459-H495 VanDerWaalsContact CE1-O 3.29Å; Y459-H495 WeakPolarHBondContact CE1-O 3.45Å; Y459-H495 HydrophobicContact CE2-CB 4.22Å; Y459-H495 VanDerWaalsContact OH-CA 3.3Å; Y459-H495 WeakPolarHBondContact OH-CA 3.39Å; Y459-H495 WeakPolarHBondContact OH-CB 3.44Å
460	Y	89.8	Confident	88.2	Confident	34 Å²	34	46.5 Å²	46.5	13%	0.133	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-25.2	-177.1	73.4	-100.2	0	0	0	114.4	L457 C458 W465 I481 N484 R485	L457-Y460 HydrophobicContact CD2-CD1 4.42Å; L457-Y460 HydrophobicContact CG-CD1 4.08Å; L457-Y460 WeakPolarHBondContact O-CD1 3.42Å; L457-Y460 WeakPolarHBondContact O-CE1 3.19Å; C458-Y460 PolarHBondContact O-N 3.47Å; Y460-W465 PolarHBondContact O-NE1 3.41Å; Y460-I481 HydrophobicContact CD2-CG2 3.37Å; Y460-I481 HydrophobicContact CE2-CG2 3.41Å; Y460-I481 VanDerWaalsContact CE2-CG2 3.41Å; Y460-I481 HydrophobicContact CG-CG2 4.39Å; Y460-N484 HydrophobicContact CD1-CB 4.3Å; Y460-N484 HydrophobicContact CE1-CB 3.69Å; Y460-R485 WeakPolarHBondContact CE1-O 3.42Å; Y460-R485 PolarHBondContact OH-O 3.46Å; Y460-R485 VanDerWaalsContact OH-O 3.11Å
461	N	88.1	Confident	86.8	Confident	69 Å²	69	45.6 Å²	45.6	37%	0.369	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.6	-179.5	60.6	-51	0	0	0	113.3	Y459 A487	Y459-N461 PolarHBondContact O-N 2.74Å; N461-A487 WeakPolarHBondContact ND2-CB 3.41Å
462	T	90.4	Very high	84.9	Confident	47 Å²	47	50.1 Å²	50.1	29%	0.288	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-31	-177.6	75	0	0	0	0	112	Y459 N464 C505	Y459-T462 WeakPolarHBondContact O-CB 3.32Å; Y459-T462 PolarHBondContact O-N 3.37Å; Y459-T462 PolarHBondContact O-OG1 3.43Å; T462-N464 PolarHBondContact O-N 3.06Å; T462-C505 PolarHBondContact OG1-N 3.47Å; T462-C505 PolarHBondContact OG1-O 2.77Å
463	V	87.9	Confident	83	Confident	3 Å²	3	59 Å²	59	2%	0.018	29%	0.293	C	S	.	.	S	Bend	trans	-72.2	124.7	-178.9	-177.8	0	0	0	0	110.7	W465 I468 C505 W506 V514	V463-W465 VanDerWaalsContact C-N 3.31Å; V463-W465 HydrophobicContact CG1-CD2 4.45Å; V463-W465 PolarHBondContact O-N 2.93Å; V463-I468 HydrophobicContact CG1-CD1 3.54Å; V463-C505 VanDerWaalsContact CG2-O 3.27Å; V463-C505 WeakPolarHBondContact CG2-O 3.4Å; V463-W506 HydrophobicContact CG1-CH2 3.74Å; V463-W506 HydrophobicContact CG1-CZ2 3.93Å; V463-W506 HydrophobicContact CG1-CZ3 4.15Å; V463-W506 HydrophobicContact CG2-CD2 4.1Å; V463-W506 HydrophobicContact CG2-CE3 3.92Å; V463-W506 HydrophobicContact CG2-CH2 4.42Å; V463-W506 HydrophobicContact CG2-CZ3 4.09Å; V463-V514 HydrophobicContact CG1-CG2 4.2Å; V463-V514 HydrophobicContact CG2-CG2 4.05Å
464	N	87.6	Confident	81.2	Confident	54 Å²	54	59.9 Å²	59.9	29%	0.289	30%	0.297	S	S	.	.			trans	-79.1	77.6	175.3	-168.4	-11.5	0	0	0	112	T462 M466 R467	T462-N464 PolarHBondContact O-N 3.06Å; N464-M466 PolarHBondContact O-N 2.94Å; N464-M466 WeakPolarHBondContact OD1-CB 3.39Å; N464-M466 PolarHBondContact OD1-N 2.74Å; N464-R467 HydrophobicContact CB-CG 4.49Å; N464-R467 PolarHBondContact O-N 2.88Å
465	W	84.8	Confident	79.2	Confident	3 Å²	3	65.8 Å²	65.8	1%	0.011	33%	0.325	C	S	.	.	H	α-helix	trans	-49.4	-26.2	178.2	-65.4	96.6	0	0	0	115	F425 L436 L444 V449 I451 Y460 V463 R467 I468 I469 W506	F425-W465 HydrophobicContact CD1-CH2 4.02Å; F425-W465 HydrophobicContact CD1-CZ3 4.14Å; F425-W465 AromaticContact CE1-CH2 3.85Å; F425-W465 HydrophobicContact CE1-CH2 3.85Å; F425-W465 HydrophobicContact CE1-CZ3 4.41Å; L436-W465 HydrophobicContact CD1-CH2 4.14Å; L436-W465 HydrophobicContact CD1-CZ2 3.85Å; L444-W465 HydrophobicContact CD1-CZ3 4.41Å; V449-W465 HydrophobicContact CB-CE3 4.42Å; V449-W465 HydrophobicContact CG1-CD2 4.33Å; V449-W465 HydrophobicContact CG1-CE3 4.09Å; V449-W465 HydrophobicContact CG1-CH2 4.23Å; V449-W465 HydrophobicContact CG1-CZ2 4.47Å; V449-W465 HydrophobicContact CG1-CZ3 4.03Å; V449-W465 HydrophobicContact CG2-CE3 3.72Å; V449-W465 HydrophobicContact CG2-CZ3 3.89Å; I451-W465 HydrophobicContact CD1-CH2 3.9Å; I451-W465 HydrophobicContact CD1-CZ2 3.58Å; Y460-W465 PolarHBondContact O-NE1 3.41Å; V463-W465 VanDerWaalsContact C-N 3.31Å; V463-W465 HydrophobicContact CG1-CD2 4.45Å; V463-W465 PolarHBondContact O-N 2.93Å; W465-R467 PolarHBondContact O-N 2.88Å; W465-I468 HydrophobicContact CE3-CD1 4.41Å; W465-I468 PolarHBondContact O-N 3.47Å; W465-I469 WeakPolarHBondContact O-CG1 3.42Å; W465-I469 PolarHBondContact O-N 2.96Å; W465-W506 AromaticContact CH2-CH2 3.92Å; W465-W506 HydrophobicContact CH2-CH2 3.92Å; W465-W506 AromaticContact CH2-CZ3 3.61Å; W465-W506 HydrophobicContact CH2-CZ3 3.61Å; W465-W506 HydrophobicContact CZ2-CH2 4.41Å; W465-W506 AromaticContact CZ2-CZ3 3.91Å; W465-W506 HydrophobicContact CZ2-CZ3 3.91Å; W465-W506 HydrophobicContact CZ3-CH2 4.12Å; W465-W506 HydrophobicContact CZ3-CZ3 4.29Å
466	M	79.5	Confident	77.3	Confident	133 Å²	133	67.4 Å²	67.4	66%	0.655	34%	0.335	S	S	*	.	H	α-helix	trans	-69.8	-18.1	177.8	-57.9	-177.1	-64.3	0	0	113.6	N464	N464-M466 PolarHBondContact O-N 2.94Å; N464-M466 WeakPolarHBondContact OD1-CB 3.39Å; N464-M466 PolarHBondContact OD1-N 2.74Å
467	R	81.1	Confident	75.2	Confident	156 Å²	156	71.1 Å²	71.1	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-87.1	-20.9	172	-63	-169.3	-171.9	166.6	12.4	113.2	N464 W465 D503	N464-R467 HydrophobicContact CB-CG 4.49Å; N464-R467 PolarHBondContact O-N 2.88Å; W465-R467 PolarHBondContact O-N 2.88Å; R467-D503 IonicContact CZ-OD1 3.33Å; R467-D503 IonicContact NH1-OD1 3.7Å; R467-D503 PolarHBondContact NH1-OD1 3.12Å; R467-D503 IonicContact NH1-OD2 2.76Å; R467-D503 PolarHBondContact NH1-OD2 3.25Å; R467-D503 VanDerWaalsContact NH1-OD2 3.12Å; R467-D503 IonicContact NH2-OD1 3.65Å; R467-D503 PolarHBondContact NH2-OD1 3.49Å
468	I	83.1	Confident	73.6	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-89	-41.4	-177.3	-54.1	-179.6	0	0	0	110.2	L441 K443 L444 V463 W465 S470 W506	L441-I468 HydrophobicContact CG-CG2 4.47Å; K443-I468 WeakPolarHBondContact CA-O 3.4Å; L444-I468 HydrophobicContact CD1-CG2 4.4Å; L444-I468 HydrophobicContact CG-CG2 3.94Å; L444-I468 PolarHBondContact N-O 3.04Å; V463-I468 HydrophobicContact CG1-CD1 3.54Å; W465-I468 HydrophobicContact CE3-CD1 4.41Å; W465-I468 PolarHBondContact O-N 3.47Å; I468-S470 PolarHBondContact O-N 3.48Å; I468-W506 HydrophobicContact CD1-CH2 3.72Å; I468-W506 HydrophobicContact CD1-CZ2 3.71Å
469	I	81.9	Confident	72.8	Confident	17 Å²	17	78.5 Å²	78.5	9%	0.087	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-74.9	110.5	176.5	-60.1	167.1	0	0	0	109.2	L444 V449 W465	L444-I469 HydrophobicContact CB-CG1 4.35Å; L444-I469 HydrophobicContact CD1-CG1 4.04Å; L444-I469 WeakPolarHBondContact O-CA 3.41Å; V449-I469 HydrophobicContact CG2-CD1 3.99Å; V449-I469 HydrophobicContact CG2-CG1 4.37Å; W465-I469 WeakPolarHBondContact O-CG1 3.42Å; W465-I469 PolarHBondContact O-N 2.96Å
470	S	69.3	Low	72.3	Confident	60 Å²	60	79.5 Å²	79.5	42%	0.42	39%	0.392	S	S	.	.			trans	-83.4	-11.4	-170.2	-62.2	0	0	0	0	114.8	L444 I468 P472	L444-S470 PolarHBondContact O-N 2.9Å; I468-S470 PolarHBondContact O-N 3.48Å; S470-P472 WeakPolarHBondContact O-CD 3.27Å
471	S	61.9	Low	72.2	Confident	31 Å²	31	79.8 Å²	79.8	22%	0.217	40%	0.396	C	S	.	.			trans	-91.9	112.8	-174.8	-174.7	0	0	0	0	112.6	Q473	S471-Q473 VanDerWaalsContact C-N 3.35Å; S471-Q473 PolarHBondContact O-N 3.4Å
472	P	53.5	Low	72.2	Confident	95 Å²	95	81.2 Å²	81.2	62%	0.617	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-72.8	-22	-175.9	-19.4	33.9	0	0	0	114.6	S470 K474 Q475	S470-P472 WeakPolarHBondContact O-CD 3.27Å; P472-K474 PolarHBondContact O-N 3.14Å; P472-Q475 WeakPolarHBondContact O-CG 3.29Å
473	Q	52.8	Low	72	Confident	187 Å²	187	83.8 Å²	83.8	87%	0.874	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-81.7	-3.1	-164.3	-69.2	-172.8	-16.3	0	0	115.6	S471	S471-Q473 VanDerWaalsContact C-N 3.35Å; S471-Q473 PolarHBondContact O-N 3.4Å
474	K	52.9	Low	72.2	Confident	115 Å²	115	84.5 Å²	84.5	50%	0.5	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-129.5	14.9	-176.4	-68	178.6	-175.9	162.4	0	114.9	P472 Q476 N477 S478	P472-K474 PolarHBondContact O-N 3.14Å; K474-Q476 VanDerWaalsContact C-N 3.25Å; K474-Q476 PolarHBondContact O-N 2.91Å; K474-N477 PolarHBondContact O-N 3.15Å; K474-S478 WeakPolarHBondContact O-CB 3.5Å; K474-S478 PolarHBondContact O-N 3.46Å; K474-S478 PolarHBondContact O-OG 3.03Å
475	Q	53.7	Low	72.4	Confident	123 Å²	123	84.6 Å²	84.6	58%	0.575	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.8	-165	-74.2	177.7	-17.9	0	0	117	P472	P472-Q475 WeakPolarHBondContact O-CG 3.29Å
476	Q	50.1	Low	72.7	Confident	194 Å²	194	90.8 Å²	90.8	91%	0.907	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-22.4	-179.6	-75.4	179.6	-33.4	0	0	115.1	K474	K474-Q476 VanDerWaalsContact C-N 3.25Å; K474-Q476 PolarHBondContact O-N 2.91Å
477	N	50.1	Low	73.1	Confident	148 Å²	148	85.5 Å²	85.5	79%	0.791	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-3.2	-178.4	-77.5	-18.5	0	0	0	113.7	K474	K474-N477 PolarHBondContact O-N 3.15Å
478	S	62	Low	73.6	Confident	14 Å²	14	84.3 Å²	84.3	10%	0.098	41%	0.413	C	S	.	.	S	Bend	trans	-92.4	-1	-169.8	62	0	0	0	0	115.9	G448 V449 K474	G448-S478 CarbonylContact C-O 2.8Å; G448-S478 WeakPolarHBondContact CA-O 3.31Å; V449-S478 PolarHBondContact N-O 3.3Å; K474-S478 WeakPolarHBondContact O-CB 3.5Å; K474-S478 PolarHBondContact O-N 3.46Å; K474-S478 PolarHBondContact O-OG 3.03Å
479	R	75.6	Confident	74	Confident	141 Å²	141	88.8 Å²	88.8	53%	0.532	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	98.6	-179	-168.3	-171.4	75.6	168.4	2.7	112.1	V449 I481	V449-R479 WeakPolarHBondContact O-CA 3.39Å; R479-I481 HydrophobicContact CG-CD1 3.71Å; R479-I481 HydrophobicContact CG-CG1 3.9Å
480	V	82.5	Confident	74.4	Confident	38 Å²	38	88 Å²	88	23%	0.23	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	94.2	177.4	-175.3	0	0	0	0	109.5	Y423 V449 Y450 I451 T452 K482	Y423-V480 HydrophobicContact CE1-CG2 4.2Å; V449-V480 PolarHBondContact O-N 3.48Å; Y450-V480 CarbonylContact C-O 3.52Å; Y450-V480 WeakPolarHBondContact CA-O 3.22Å; Y450-V480 HydrophobicContact CD2-CB 3.58Å; Y450-V480 HydrophobicContact CD2-CG1 3.77Å; Y450-V480 HydrophobicContact CD2-CG2 4.11Å; Y450-V480 HydrophobicContact CE2-CB 3.98Å; Y450-V480 HydrophobicContact CE2-CG1 3.64Å; Y450-V480 HydrophobicContact CE2-CG2 4.47Å; Y450-V480 HydrophobicContact CG-CB 4.28Å; I451-V480 PolarHBondContact N-O 2.81Å; T452-V480 HydrophobicContact CG2-CG1 4.08Å; V480-K482 HydrophobicContact CG1-CG 4.41Å
481	I	88.1	Confident	75.4	Confident	39 Å²	39	89.5 Å²	89.5	20%	0.2	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.3	179.6	-57.5	179.7	0	0	0	108.4	V449 I451 Y460 R479	V449-I481 HydrophobicContact CG1-CD1 4.33Å; I451-I481 HydrophobicContact CB-CG1 4.14Å; I451-I481 HydrophobicContact CB-CG2 4.42Å; I451-I481 HydrophobicContact CD1-CD1 4.32Å; I451-I481 WeakPolarHBondContact O-CA 3.32Å; Y460-I481 HydrophobicContact CD2-CG2 3.37Å; Y460-I481 HydrophobicContact CE2-CG2 3.41Å; Y460-I481 VanDerWaalsContact CE2-CG2 3.41Å; Y460-I481 HydrophobicContact CG-CG2 4.39Å; R479-I481 HydrophobicContact CG-CD1 3.71Å; R479-I481 HydrophobicContact CG-CG1 3.9Å
482	K	87.4	Confident	76.7	Confident	99 Å²	99	94 Å²	94	43%	0.43	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	166.1	-172.6	58.1	166.2	-173	144.9	0	111.2	I451 T452 K453 V480 N484	I451-K482 PolarHBondContact O-N 2.64Å; T452-K482 WeakPolarHBondContact CA-O 3.21Å; T452-K482 VanDerWaalsContact CB-O 3.27Å; T452-K482 WeakPolarHBondContact CB-O 3.22Å; T452-K482 HydrophobicContact CG2-CG 3.6Å; K453-K482 PolarHBondContact N-O 2.95Å; V480-K482 HydrophobicContact CG1-CG 4.41Å; K482-N484 PolarHBondContact O-N 2.83Å; K482-N484 VanDerWaalsContact O-N 3.14Å; K482-N484 PolarHBondContact O-OD1 2.94Å
483	E	87.2	Confident	78.4	Confident	101 Å²	101	93.4 Å²	93.4	47%	0.472	45%	0.451	S	S	.	.	S	Bend	trans	60.9	20	175	-61.8	161.9	-129.5	0	0	114.4	K453	K453-E483 CarbonylContact C-O 3.55Å; K453-E483 WeakPolarHBondContact CA-O 3.23Å; K453-E483 WeakPolarHBondContact CE-OE2 3.29Å; K453-E483 HydrophobicContact CG-CB 4Å; K453-E483 VanDerWaalsContact CG-OE2 3.29Å; K453-E483 WeakPolarHBondContact CG-OE2 3.32Å; K453-E483 PolarHBondContact N-O 2.72Å
484	N	91.8	Very high	80.1	Confident	19 Å²	19	86.8 Å²	86.8	10%	0.102	43%	0.433	C	S	.	.	S	Bend	trans	-95.7	-176.7	170.4	-51.5	-41.9	0	0	0	110.1	I451 T452 K453 N454 Y460 K482	I451-N484 PolarHBondContact O-ND2 3.32Å; T452-N484 VanDerWaalsContact C-OD1 3.31Å; T452-N484 WeakPolarHBondContact CA-OD1 3.44Å; K453-N484 PolarHBondContact N-OD1 3.03Å; N454-N484 WeakPolarHBondContact CB-OD1 3.45Å; N454-N484 PolarHBondContact N-OD1 3.08Å; N454-N484 PolarHBondContact ND2-OD1 3.16Å; N454-N484 WeakPolarHBondContact O-CA 3.25Å; Y460-N484 HydrophobicContact CD1-CB 4.3Å; Y460-N484 HydrophobicContact CE1-CB 3.69Å; K482-N484 PolarHBondContact O-N 2.83Å; K482-N484 VanDerWaalsContact O-N 3.14Å; K482-N484 PolarHBondContact O-OD1 2.94Å
485	R	91.7	Very high	81.9	Confident	56 Å²	56	84.2 Å²	84.2	21%	0.211	42%	0.422	C	S	.	.			trans	-58.6	143.1	172.3	-159.4	167.1	179.5	169.6	4.2	110.3	K455 L457 Y460 D493	K455-R485 WeakPolarHBondContact O-CB 3.38Å; L457-R485 WeakPolarHBondContact O-CB 3.28Å; Y460-R485 WeakPolarHBondContact CE1-O 3.42Å; Y460-R485 PolarHBondContact OH-O 3.46Å; Y460-R485 VanDerWaalsContact OH-O 3.11Å; R485-D493 IonicContact CZ-OD2 3.48Å; R485-D493 IonicContact NE-OD2 3.34Å; R485-D493 VanDerWaalsContact NH2-CG 3.34Å; R485-D493 IonicContact NH2-OD1 3.49Å; R485-D493 IonicContact NH2-OD2 2.72Å; R485-D493 PolarHBondContact NH2-OD2 3Å
486	K	91.4	Very high	83.8	Confident	133 Å²	133	81.9 Å²	81.9	58%	0.578	42%	0.416	S	S	*	.			trans	-71.1	141.1	178.9	-71.5	-170.5	176.5	-173.4	0	111.1	E488 Q489 C490	K486-E488 VanDerWaalsContact C-N 3.31Å; K486-E488 WeakPolarHBondContact CB-OE2 3.48Å; K486-E488 PolarHBondContact O-N 3.24Å; K486-Q489 HydrophobicContact CB-CB 4.35Å; K486-Q489 HydrophobicContact CB-CG 4.03Å; K486-Q489 WeakPolarHBondContact O-CB 3.12Å; K486-Q489 PolarHBondContact O-N 3.22Å; K486-Q489 VanDerWaalsContact O-N 3.11Å; K486-C490 PolarHBondContact O-N 3.4Å; K486-C490 VanDerWaalsContact O-N 3.08Å; K486-C490 PolarHBondContact O-SG 3.19Å
487	A	87.6	Confident	85.8	Confident	21 Å²	21	74.2 Å²	74.2	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-57.9	-44.8	179.7	0	0	0	0	0	111.6	N461 Q489 C490 D491	N461-A487 WeakPolarHBondContact ND2-CB 3.41Å; A487-Q489 PolarHBondContact O-N 3.14Å; A487-Q489 VanDerWaalsContact O-N 3.16Å; A487-C490 WeakPolarHBondContact O-CB 3.46Å; A487-C490 PolarHBondContact O-N 3.26Å; A487-C490 VanDerWaalsContact O-N 3.08Å; A487-D491 VanDerWaalsContact O-CG 3.28Å; A487-D491 PolarHBondContact O-N 3.43Å
488	E	90.4	Very high	87.9	Confident	131 Å²	131	69.2 Å²	69.2	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-65.5	-22.1	-178.5	-48.2	82.1	177.2	0	0	112.5	K486 V492	K486-E488 VanDerWaalsContact C-N 3.31Å; K486-E488 WeakPolarHBondContact CB-OE2 3.48Å; K486-E488 PolarHBondContact O-N 3.24Å; E488-V492 WeakPolarHBondContact O-CG2 3.22Å
489	Q	91.4	Very high	89.3	Confident	103 Å²	103	74 Å²	74	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-81.3	-46	172.7	-65.5	177.6	-46.5	0	0	110.5	K486 A487 D491 V492 D493	K486-Q489 HydrophobicContact CB-CB 4.35Å; K486-Q489 HydrophobicContact CB-CG 4.03Å; K486-Q489 WeakPolarHBondContact O-CB 3.12Å; K486-Q489 PolarHBondContact O-N 3.22Å; K486-Q489 VanDerWaalsContact O-N 3.11Å; A487-Q489 PolarHBondContact O-N 3.14Å; A487-Q489 VanDerWaalsContact O-N 3.16Å; Q489-D491 PolarHBondContact O-N 3.24Å; Q489-V492 PolarHBondContact O-N 3.35Å; Q489-V492 VanDerWaalsContact O-N 3.16Å; Q489-D493 WeakPolarHBondContact O-CB 3.5Å; Q489-D493 PolarHBondContact O-N 3.22Å
490	C	91.8	Very high	90.2	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.007	38%	0.375	C	S	.	.	H	α-helix	trans	-53.1	-42.9	173.1	-64.8	0	0	0	0	112	C458 K486 A487 D493 G494 H495	C458-C490 WeakPolarHBondContact CA-SG 3.46Å; C458-C490 HydrophobicContact CB-CB 3.77Å; C458-C490 WeakPolarHBondContact CB-SG 3.16Å; C458-C490 WeakPolarHBondContact SG-CB 3.47Å; C458-C490 CovalentContact SG-SG 2.04Å; C458-C490 PolarHBondContact SG-SG 2.74Å; K486-C490 PolarHBondContact O-N 3.4Å; K486-C490 VanDerWaalsContact O-N 3.08Å; K486-C490 PolarHBondContact O-SG 3.19Å; A487-C490 WeakPolarHBondContact O-CB 3.46Å; A487-C490 PolarHBondContact O-N 3.26Å; A487-C490 VanDerWaalsContact O-N 3.08Å; C490-D493 PolarHBondContact O-N 2.72Å; C490-G494 PolarHBondContact O-N 3.4Å; C490-H495 HydrophobicContact CB-CB 4.09Å; C490-H495 WeakPolarHBondContact O-CA 3.21Å; C490-H495 WeakPolarHBondContact O-CB 3.4Å; C490-H495 PolarHBondContact O-N 2.84Å
491	D	88.6	Confident	90.6	Very high	90 Å²	90	68.7 Å²	68.7	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-42.1	179.3	-62.1	-28.8	0	0	0	112.3	A487 Q489 G494 V496	A487-D491 VanDerWaalsContact O-CG 3.28Å; A487-D491 PolarHBondContact O-N 3.43Å; Q489-D491 PolarHBondContact O-N 3.24Å; D491-G494 PolarHBondContact O-N 3.19Å; D491-V496 HydrophobicContact CB-CG1 4.39Å
492	V	90.7	Very high	90.6	Very high	127 Å²	127	69.6 Å²	69.6	77%	0.77	38%	0.382	S	S	*	.	H	α-helix	trans	-67.6	-37.7	176.6	168.8	0	0	0	0	112	E488 Q489 G494	E488-V492 WeakPolarHBondContact O-CG2 3.22Å; Q489-V492 PolarHBondContact O-N 3.35Å; Q489-V492 VanDerWaalsContact O-N 3.16Å; V492-G494 PolarHBondContact O-N 3.47Å
493	D	87.9	Confident	90.5	Very high	82 Å²	82	67.5 Å²	67.5	44%	0.439	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	5.3	177	-64.2	-51.4	0	0	0	113	R485 Q489 C490 H495	R485-D493 IonicContact CZ-OD2 3.48Å; R485-D493 IonicContact NE-OD2 3.34Å; R485-D493 VanDerWaalsContact NH2-CG 3.34Å; R485-D493 IonicContact NH2-OD1 3.49Å; R485-D493 IonicContact NH2-OD2 2.72Å; R485-D493 PolarHBondContact NH2-OD2 3Å; Q489-D493 WeakPolarHBondContact O-CB 3.5Å; Q489-D493 PolarHBondContact O-N 3.22Å; C490-D493 PolarHBondContact O-N 2.72Å; D493-H495 VanDerWaalsContact C-N 3.29Å; D493-H495 PolarHBondContact O-N 3.32Å
494	G	89.1	Confident	90.6	Very high	48 Å²	48	63.2 Å²	63.2	50%	0.495	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	13.8	178.1	0	0	0	0	0	114.8	C490 D491 V492 V496	C490-G494 PolarHBondContact O-N 3.4Å; D491-G494 PolarHBondContact O-N 3.19Å; V492-G494 PolarHBondContact O-N 3.47Å; G494-V496 PolarHBondContact O-N 3.1Å
495	H	91.2	Very high	90.7	Very high	61 Å²	61	62.3 Å²	62.3	28%	0.282	35%	0.354	S	S	.	.			trans	-82.7	57.5	178.1	-63.7	-19.4	0	0	0	111.9	C458 Y459 C490 D493	C458-H495 HydrophobicContact CB-CB 3.92Å; C458-H495 VanDerWaalsContact SG-CD2 3.59Å; Y459-H495 VanDerWaalsContact CE1-C 3.46Å; Y459-H495 HydrophobicContact CE1-CB 4.4Å; Y459-H495 VanDerWaalsContact CE1-O 3.29Å; Y459-H495 WeakPolarHBondContact CE1-O 3.45Å; Y459-H495 HydrophobicContact CE2-CB 4.22Å; Y459-H495 VanDerWaalsContact OH-CA 3.3Å; Y459-H495 WeakPolarHBondContact OH-CA 3.39Å; Y459-H495 WeakPolarHBondContact OH-CB 3.44Å; C490-H495 HydrophobicContact CB-CB 4.09Å; C490-H495 WeakPolarHBondContact O-CA 3.21Å; C490-H495 WeakPolarHBondContact O-CB 3.4Å; C490-H495 PolarHBondContact O-N 2.84Å; D493-H495 VanDerWaalsContact C-N 3.29Å; D493-H495 PolarHBondContact O-N 3.32Å
496	V	92.7	Very high	90.7	Very high	73 Å²	73	59.8 Å²	59.8	44%	0.442	35%	0.345	S	S	.	.			trans	-108.9	162.1	-178.9	-60.2	0	0	0	0	111.9	D491 G494	D491-V496 HydrophobicContact CB-CG1 4.39Å; G494-V496 PolarHBondContact O-N 3.1Å
497	C	93.1	Very high	90.8	Very high	34 Å²	34	53.6 Å²	53.6	23%	0.23	32%	0.318	C	S	.	.			trans	-68.3	154.1	177.2	-62.3	0	0	0	0	113	C501 C505	C497-C501 HydrophobicContact CB-CB 4.32Å; C497-C505 WeakPolarHBondContact CA-SG 3.38Å; C497-C505 HydrophobicContact CB-CB 3.78Å; C497-C505 WeakPolarHBondContact CB-SG 3.37Å; C497-C505 WeakPolarHBondContact SG-CB 3.48Å; C497-C505 PolarHBondContact SG-N 2.98Å; C497-C505 CovalentContact SG-SG 2.04Å; C497-C505 PolarHBondContact SG-SG 3.37Å
498	D	93.3	Very high	90.9	Very high	43 Å²	43	55.5 Å²	55.5	23%	0.23	33%	0.334	C	S	.	.			trans	-61.5	139.4	173.3	-172.3	-74.2	0	0	0	111.2	L500 C501 P510	D498-L500 PolarHBondContact O-N 3.06Å; D498-L500 VanDerWaalsContact OD1-CB 3.25Å; D498-L500 WeakPolarHBondContact OD1-CB 3.18Å; D498-L500 WeakPolarHBondContact OD1-CG 3.4Å; D498-L500 PolarHBondContact OD1-N 2.62Å; D498-C501 WeakPolarHBondContact O-CB 3.47Å; D498-C501 PolarHBondContact O-N 2.66Å; D498-C501 PolarHBondContact O-SG 2.68Å; D498-C501 VanDerWaalsContact O-SG 3.4Å; D498-P510 HydrophobicContact CB-CB 4.46Å; D498-P510 WeakPolarHBondContact OD2-CD 3.48Å
499	P	92	Very high	91	Very high	114 Å²	114	50.2 Å²	50.2	74%	0.74	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-13.9	178.5	-26.5	35.8	0	0	0	116
500	L	93.6	Very high	91	Very high	51 Å²	51	47.1 Å²	47.1	27%	0.267	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.3	174.7	-58.5	175.3	0	0	0	113.4	D498 P510 N517 C525	D498-L500 PolarHBondContact O-N 3.06Å; D498-L500 VanDerWaalsContact OD1-CB 3.25Å; D498-L500 WeakPolarHBondContact OD1-CB 3.18Å; D498-L500 WeakPolarHBondContact OD1-CG 3.4Å; D498-L500 PolarHBondContact OD1-N 2.62Å; L500-P510 HydrophobicContact CD1-CB 4.27Å; L500-N517 WeakPolarHBondContact O-CB 3.48Å; L500-N517 PolarHBondContact O-N 2.73Å; L500-C525 HydrophobicContact CB-CB 3.82Å; L500-C525 WeakPolarHBondContact CD1-O 3.35Å
501	C	92.2	Very high	91	Very high	17 Å²	17	49.6 Å²	49.6	12%	0.115	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-75.8	151.5	173	-54.5	0	0	0	0	111.9	C497 D498 C513 S515	C497-C501 HydrophobicContact CB-CB 4.32Å; D498-C501 WeakPolarHBondContact O-CB 3.47Å; D498-C501 PolarHBondContact O-N 2.66Å; D498-C501 PolarHBondContact O-SG 2.68Å; D498-C501 VanDerWaalsContact O-SG 3.4Å; C501-C513 WeakPolarHBondContact CA-SG 3.42Å; C501-C513 HydrophobicContact CB-CB 3.63Å; C501-C513 WeakPolarHBondContact CB-SG 3.34Å; C501-C513 PolarHBondContact N-SG 2.96Å; C501-C513 WeakPolarHBondContact SG-CA 3.19Å; C501-C513 WeakPolarHBondContact SG-CB 3.37Å; C501-C513 CovalentContact SG-SG 2.03Å; C501-C513 PolarHBondContact SG-SG 2.9Å; C501-S515 CarbonylContact C-O 3.52Å; C501-S515 WeakPolarHBondContact CA-O 3.38Å
502	A	86.7	Confident	91.2	Very high	57 Å²	57	46.3 Å²	46.3	47%	0.471	30%	0.299	S	S	.	.	S	Bend	trans	-115.1	-58.7	173.8	0	0	0	0	0	113.3	G504 S515 N517	A502-G504 PolarHBondContact O-N 2.74Å; A502-S515 PolarHBondContact N-O 3.44Å; A502-N517 HydrophobicContact CB-CB 4.35Å
503	D	85.4	Confident	91.3	Very high	55 Å²	55	40.8 Å²	40.8	29%	0.294	27%	0.266	S	S	.	.	S	Bend	trans	-95	35.4	-177	-62.6	-71	0	0	0	114.3	R467 V514 S515	R467-D503 IonicContact CZ-OD1 3.33Å; R467-D503 IonicContact NH1-OD1 3.7Å; R467-D503 PolarHBondContact NH1-OD1 3.12Å; R467-D503 IonicContact NH1-OD2 2.76Å; R467-D503 PolarHBondContact NH1-OD2 3.25Å; R467-D503 VanDerWaalsContact NH1-OD2 3.12Å; R467-D503 IonicContact NH2-OD1 3.65Å; R467-D503 PolarHBondContact NH2-OD1 3.49Å; D503-V514 HydrophobicContact CB-CB 4.4Å; D503-V514 HydrophobicContact CB-CG1 4.22Å; D503-S515 VanDerWaalsContact CB-OG 3.26Å; D503-S515 WeakPolarHBondContact CB-OG 3.45Å; D503-S515 VanDerWaalsContact CG-OG 3.24Å; D503-S515 PolarHBondContact N-OG 2.91Å; D503-S515 PolarHBondContact OD2-OG 3.07Å
504	G	90.3	Very high	91.3	Very high	12 Å²	12	39.5 Å²	39.5	12%	0.124	26%	0.261	C	S	.	.			trans	86.3	-169.1	-177.3	0	0	0	0	0	114.1	A502 V514	A502-G504 PolarHBondContact O-N 2.74Å; G504-V514 PolarHBondContact O-N 3.47Å
505	C	93.1	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-153.1	158.3	-172.2	64.5	0	0	0	0	113.6	T462 V463 C497 G507 Q512	T462-C505 PolarHBondContact OG1-N 3.47Å; T462-C505 PolarHBondContact OG1-O 2.77Å; V463-C505 VanDerWaalsContact CG2-O 3.27Å; V463-C505 WeakPolarHBondContact CG2-O 3.4Å; C497-C505 WeakPolarHBondContact CA-SG 3.38Å; C497-C505 HydrophobicContact CB-CB 3.78Å; C497-C505 WeakPolarHBondContact CB-SG 3.37Å; C497-C505 WeakPolarHBondContact SG-CB 3.48Å; C497-C505 PolarHBondContact SG-N 2.98Å; C497-C505 CovalentContact SG-SG 2.04Å; C497-C505 PolarHBondContact SG-SG 3.37Å; C505-G507 PolarHBondContact SG-O 3.45Å; C505-G507 VanDerWaalsContact SG-O 3.33Å; C505-Q512 CarbonylContact C-O 3.59Å; C505-Q512 VanDerWaalsContact CA-O 3.28Å; C505-Q512 WeakPolarHBondContact CA-O 3.33Å; C505-Q512 WeakPolarHBondContact CB-O 3.42Å
506	W	92.3	Very high	91.3	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.011	25%	0.247	C	C	.	.	S	Bend	trans	-90.7	-8	179.2	-63.4	103.9	0	0	0	114.2	L436 G437 L438 L441 V463 W465 I468 Q512	L436-W506 HydrophobicContact CB-CE3 4.06Å; L436-W506 HydrophobicContact CD1-CE3 4.01Å; L436-W506 HydrophobicContact CD1-CZ3 3.96Å; L436-W506 PolarHBondContact N-O 2.75Å; G437-W506 PolarHBondContact N-O 2.03Å; L438-W506 HydrophobicContact CB-CD2 4.15Å; L438-W506 HydrophobicContact CB-CE3 3.99Å; L438-W506 HydrophobicContact CB-CZ3 4.26Å; L438-W506 PolarHBondContact O-NE1 3.37Å; L441-W506 HydrophobicContact CB-CH2 4.31Å; L441-W506 HydrophobicContact CB-CZ2 3.99Å; L441-W506 HydrophobicContact CD2-CH2 3.9Å; L441-W506 HydrophobicContact CD2-CZ2 4.41Å; L441-W506 HydrophobicContact CG-CH2 4.42Å; L441-W506 HydrophobicContact CG-CZ2 4.47Å; V463-W506 HydrophobicContact CG1-CH2 3.74Å; V463-W506 HydrophobicContact CG1-CZ2 3.93Å; V463-W506 HydrophobicContact CG1-CZ3 4.15Å; V463-W506 HydrophobicContact CG2-CD2 4.1Å; V463-W506 HydrophobicContact CG2-CE3 3.92Å; V463-W506 HydrophobicContact CG2-CH2 4.42Å; V463-W506 HydrophobicContact CG2-CZ3 4.09Å; W465-W506 AromaticContact CH2-CH2 3.92Å; W465-W506 HydrophobicContact CH2-CH2 3.92Å; W465-W506 AromaticContact CH2-CZ3 3.61Å; W465-W506 HydrophobicContact CH2-CZ3 3.61Å; W465-W506 HydrophobicContact CZ2-CH2 4.41Å; W465-W506 AromaticContact CZ2-CZ3 3.91Å; W465-W506 HydrophobicContact CZ2-CZ3 3.91Å; W465-W506 HydrophobicContact CZ3-CH2 4.12Å; W465-W506 HydrophobicContact CZ3-CZ3 4.29Å; I468-W506 HydrophobicContact CD1-CH2 3.72Å; I468-W506 HydrophobicContact CD1-CZ2 3.71Å; W506-Q512 PolarHBondContact N-O 3Å
507	G	93.1	Very high	91.1	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	25%	0.253	C	S	.	.	S	Bend	trans	174.6	-173.4	-175.1	0	0	0	0	0	110.5	C505 Q512	C505-G507 PolarHBondContact SG-O 3.45Å; C505-G507 VanDerWaalsContact SG-O 3.33Å; G507-Q512 WeakPolarHBondContact O-CB 3.35Å
508	A	90.9	Very high	90.9	Very high	61 Å²	61	44.3 Å²	44.3	50%	0.504	27%	0.271	S	S	.	.	S	Bend	trans	-72.8	147.5	174.8	0	0	0	0	0	112.2	Q512	A508-Q512 VanDerWaalsContact O-CG 3.31Å; A508-Q512 WeakPolarHBondContact O-CG 3.24Å
509	G	91.3	Very high	90.8	Very high	21 Å²	21	45.3 Å²	45.3	22%	0.216	27%	0.272	C	S	.	.	S	Bend	trans	101	157.3	173.1	0	0	0	0	0	115	D511 Q512	G509-D511 VanDerWaalsContact C-N 3.25Å; G509-D511 PolarHBondContact O-N 3.2Å; G509-Q512 PolarHBondContact O-N 3.41Å
510	P	92.6	Very high	90.8	Very high	37 Å²	37	41 Å²	41	24%	0.24	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.9	-172.1	30.5	-35.6	0	0	0	114	D498 L500 T524 C525	D498-P510 HydrophobicContact CB-CB 4.46Å; D498-P510 WeakPolarHBondContact OD2-CD 3.48Å; L500-P510 HydrophobicContact CD1-CB 4.27Å; P510-T524 HydrophobicContact CB-CG2 4.21Å; P510-T524 HydrophobicContact CG-CG2 4.04Å; P510-C525 HydrophobicContact CB-CB 4.35Å; P510-C525 WeakPolarHBondContact CB-O 3.44Å; P510-C525 WeakPolarHBondContact O-CB 3.49Å; P510-C525 PolarHBondContact O-N 3.01Å
511	D	91	Very high	90.6	Very high	54 Å²	54	42.1 Å²	42.1	29%	0.289	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.2	172	66.9	-63.4	0	0	0	113.4	R439 G509 T524	R439-D511 PolarHBondContact NE-O 3.48Å; G509-D511 VanDerWaalsContact C-N 3.25Å; G509-D511 PolarHBondContact O-N 3.2Å; D511-T524 HydrophobicContact CB-CG2 4.19Å; D511-T524 WeakPolarHBondContact CB-OG1 3.18Å
512	Q	93.3	Very high	90.2	Very high	21 Å²	21	44.6 Å²	44.6	10%	0.098	27%	0.273	C	S	.	.	S	Bend	trans	-99.6	-1.2	-178.3	-61.6	-59.6	-44.8	0	0	113.7	C505 W506 G507 A508 G509	C505-Q512 CarbonylContact C-O 3.59Å; C505-Q512 VanDerWaalsContact CA-O 3.28Å; C505-Q512 WeakPolarHBondContact CA-O 3.33Å; C505-Q512 WeakPolarHBondContact CB-O 3.42Å; W506-Q512 PolarHBondContact N-O 3Å; G507-Q512 WeakPolarHBondContact O-CB 3.35Å; A508-Q512 VanDerWaalsContact O-CG 3.31Å; A508-Q512 WeakPolarHBondContact O-CG 3.24Å; G509-Q512 PolarHBondContact O-N 3.41Å
513	C	91.9	Very high	90	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.074	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-62.6	141.6	177.2	-56.9	0	0	0	0	112.4	C501 S515 C525	C501-C513 WeakPolarHBondContact CA-SG 3.42Å; C501-C513 HydrophobicContact CB-CB 3.63Å; C501-C513 WeakPolarHBondContact CB-SG 3.34Å; C501-C513 PolarHBondContact N-SG 2.96Å; C501-C513 WeakPolarHBondContact SG-CA 3.19Å; C501-C513 WeakPolarHBondContact SG-CB 3.37Å; C501-C513 CovalentContact SG-SG 2.03Å; C501-C513 PolarHBondContact SG-SG 2.9Å; C513-S515 VanDerWaalsContact C-N 3.33Å; C513-C525 WeakPolarHBondContact CB-SG 3.46Å
514	V	88.9	Confident	90.2	Very high	55 Å²	55	43.4 Å²	43.4	33%	0.333	27%	0.27	S	S	.	.	S	Bend	trans	-69	-35.3	170.9	176.3	0	0	0	0	111	V463 D503 G504	V463-V514 HydrophobicContact CG1-CG2 4.2Å; V463-V514 HydrophobicContact CG2-CG2 4.05Å; D503-V514 HydrophobicContact CB-CB 4.4Å; D503-V514 HydrophobicContact CB-CG1 4.22Å; G504-V514 PolarHBondContact O-N 3.47Å
515	S	88.8	Confident	90.4	Very high	32 Å²	32	43 Å²	43	22%	0.224	27%	0.266	C	S	.	.	S	Bend	trans	-152.4	152.8	174.8	62.9	0	0	0	0	110	C501 A502 D503 C513	C501-S515 CarbonylContact C-O 3.52Å; C501-S515 WeakPolarHBondContact CA-O 3.38Å; A502-S515 PolarHBondContact N-O 3.44Å; D503-S515 VanDerWaalsContact CB-OG 3.26Å; D503-S515 WeakPolarHBondContact CB-OG 3.45Å; D503-S515 VanDerWaalsContact CG-OG 3.24Å; D503-S515 PolarHBondContact N-OG 2.91Å; D503-S515 PolarHBondContact OD2-OG 3.07Å; C513-S515 VanDerWaalsContact C-N 3.33Å
516	C	91	Very high	90.4	Very high	38 Å²	38	44 Å²	44	26%	0.257	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-94.6	139.3	-179.3	-55.7	0	0	0	0	111.8	K518 Y519 S520 C525	C516-K518 PolarHBondContact O-N 2.75Å; C516-Y519 WeakPolarHBondContact CB-O 3.47Å; C516-S520 VanDerWaalsContact SG-CB 3.59Å; C516-C525 WeakPolarHBondContact CA-SG 3.48Å; C516-C525 HydrophobicContact CB-CB 3.66Å; C516-C525 WeakPolarHBondContact CB-SG 3.3Å; C516-C525 WeakPolarHBondContact SG-CA 3.48Å; C516-C525 WeakPolarHBondContact SG-CB 3.32Å; C516-C525 CovalentContact SG-SG 2.03Å; C516-C525 PolarHBondContact SG-SG 3.41Å
517	N	88.7	Confident	90.2	Very high	109 Å²	109	47.5 Å²	47.5	58%	0.583	30%	0.296	S	S	*	.	S	Bend	trans	-69.3	-29.9	-179	-169	-0.9	0	0	0	113.2	L500 A502	L500-N517 WeakPolarHBondContact O-CB 3.48Å; L500-N517 PolarHBondContact O-N 2.73Å; A502-N517 HydrophobicContact CB-CB 4.35Å
518	K	88.3	Confident	90.1	Very high	137 Å²	137	51.2 Å²	51.2	60%	0.596	32%	0.316	S	S	*	.	S	Bend	trans	-127.8	-67.9	175.6	-75.6	-173.1	173.7	-175.3	0	113.3	C516 S527	C516-K518 PolarHBondContact O-N 2.75Å; K518-S527 WeakPolarHBondContact CD-O 3.46Å
519	Y	91.5	Very high	90	Very high	64 Å²	64	48.8 Å²	48.8	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.4	-171	-60.4	-68.6	0	0	0	112	C516 C525 V526 F531 A540 G544	C516-Y519 WeakPolarHBondContact CB-O 3.47Å; Y519-C525 WeakPolarHBondContact O-CA 3.49Å; Y519-V526 PolarHBondContact O-N 3.27Å; Y519-F531 HydrophobicContact CE1-CZ 4.4Å; Y519-A540 HydrophobicContact CD1-CB 4.14Å; Y519-A540 HydrophobicContact CE1-CB 3.75Å; Y519-G544 CarbonylContact C-O 3.58Å; Y519-G544 WeakPolarHBondContact CA-O 3.41Å
520	S	91.4	Very high	89.9	Confident	25 Å²	25	50.9 Å²	50.9	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134	173.4	-164.7	0	0	0	0	111.2	C516 G523 T524 G544 E545 C546	C516-S520 VanDerWaalsContact SG-CB 3.59Å; S520-G523 WeakPolarHBondContact OG-CA 3.49Å; S520-G523 PolarHBondContact OG-N 3.39Å; S520-T524 CarbonylContact C-O 3.6Å; S520-T524 WeakPolarHBondContact CA-O 3.41Å; S520-G544 PolarHBondContact N-O 2.88Å; S520-E545 WeakPolarHBondContact O-CA 3.47Å; S520-C546 PolarHBondContact O-N 2.93Å
521	R	90.4	Very high	89.7	Confident	74 Å²	74	50.4 Å²	50.4	28%	0.279	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.5	171.5	-179.2	-175.6	-67	112.7	14.4	107.8	G523 T524 V526 D528 E538 C546	R521-G523 VanDerWaalsContact C-N 3.26Å; R521-G523 PolarHBondContact O-N 3.02Å; R521-T524 PolarHBondContact N-O 3.16Å; R521-T524 PolarHBondContact O-N 2.88Å; R521-V526 HydrophobicContact CB-CG1 4.22Å; R521-V526 HydrophobicContact CB-CG2 4.36Å; R521-D528 PolarHBondContact NH2-O 2.91Å; R521-E538 IonicContact CZ-OE1 2.68Å; R521-E538 IonicContact CZ-OE2 3.43Å; R521-E538 IonicContact NE-OE1 3.74Å; R521-E538 PolarHBondContact NE-OE1 3.3Å; R521-E538 IonicContact NE-OE2 2.66Å; R521-E538 PolarHBondContact NE-OE2 3.48Å; R521-E538 IonicContact NH2-OE1 2.74Å; R521-E538 IonicContact NH2-OE2 2.62Å; R521-E538 PolarHBondContact NH2-OE2 3.28Å; R521-C546 HydrophobicContact CB-CB 4.28Å
522	G	83.3	Confident	89.4	Confident	68 Å²	68	52 Å²	52	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	30	179.7	0	0	0	0	0	114.8	R439 T524	R439-G522 PolarHBondContact NH2-O 2.98Å; G522-T524 VanDerWaalsContact C-N 3.32Å
523	G	82.3	Confident	88.8	Confident	39 Å²	39	56 Å²	56	40%	0.402	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	11.2	-174.7	0	0	0	0	0	114.5	R439 S520 R521	R439-G523 PolarHBondContact NH2-O 2.8Å; S520-G523 WeakPolarHBondContact OG-CA 3.49Å; S520-G523 PolarHBondContact OG-N 3.39Å; R521-G523 VanDerWaalsContact C-N 3.26Å; R521-G523 PolarHBondContact O-N 3.02Å
524	T	90.8	Very high	88.1	Confident	48 Å²	48	57.5 Å²	57.5	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.7	168.1	-59.1	0	0	0	0	109.1	P510 D511 S520 R521 G522	P510-T524 HydrophobicContact CB-CG2 4.21Å; P510-T524 HydrophobicContact CG-CG2 4.04Å; D511-T524 HydrophobicContact CB-CG2 4.19Å; D511-T524 WeakPolarHBondContact CB-OG1 3.18Å; S520-T524 CarbonylContact C-O 3.6Å; S520-T524 WeakPolarHBondContact CA-O 3.41Å; R521-T524 PolarHBondContact N-O 3.16Å; R521-T524 PolarHBondContact O-N 2.88Å; G522-T524 VanDerWaalsContact C-N 3.32Å
525	C	93.3	Very high	87.2	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.027	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.6	-179.1	-58.2	0	0	0	0	111.5	L500 P510 C513 C516 Y519	L500-C525 HydrophobicContact CB-CB 3.82Å; L500-C525 WeakPolarHBondContact CD1-O 3.35Å; P510-C525 HydrophobicContact CB-CB 4.35Å; P510-C525 WeakPolarHBondContact CB-O 3.44Å; P510-C525 WeakPolarHBondContact O-CB 3.49Å; P510-C525 PolarHBondContact O-N 3.01Å; C513-C525 WeakPolarHBondContact CB-SG 3.46Å; C516-C525 WeakPolarHBondContact CA-SG 3.48Å; C516-C525 HydrophobicContact CB-CB 3.66Å; C516-C525 WeakPolarHBondContact CB-SG 3.3Å; C516-C525 WeakPolarHBondContact SG-CA 3.48Å; C516-C525 WeakPolarHBondContact SG-CB 3.32Å; C516-C525 CovalentContact SG-SG 2.03Å; C516-C525 PolarHBondContact SG-SG 3.41Å; Y519-C525 WeakPolarHBondContact O-CA 3.49Å
526	V	92.5	Very high	86.8	Confident	21 Å²	21	68 Å²	68	13%	0.127	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.5	-175.6	-60.4	0	0	0	0	110.5	Y519 R521 D528	Y519-V526 PolarHBondContact O-N 3.27Å; R521-V526 HydrophobicContact CB-CG1 4.22Å; R521-V526 HydrophobicContact CB-CG2 4.36Å; V526-D528 VanDerWaalsContact C-N 3.33Å; V526-D528 WeakPolarHBondContact CG2-O 3.44Å
527	S	89.9	Confident	86.7	Confident	76 Å²	76	67.1 Å²	67.1	53%	0.531	38%	0.382	S	S	.	.	S	Bend	trans	-68.3	-32.4	179.4	49.5	0	0	0	0	112.9	K518	K518-S527 WeakPolarHBondContact CD-O 3.46Å
528	D	90.1	Very high	86.9	Confident	81 Å²	81	62.8 Å²	62.8	43%	0.433	36%	0.358	S	S	.	.	S	Bend	trans	-154.8	159	179.5	-139.4	-47.5	0	0	0	112.6	R521 V526 F531	R521-D528 PolarHBondContact NH2-O 2.91Å; V526-D528 VanDerWaalsContact C-N 3.33Å; V526-D528 WeakPolarHBondContact CG2-O 3.44Å; D528-F531 WeakPolarHBondContact OD1-CD2 3.47Å; D528-F531 WeakPolarHBondContact OD1-CE2 3.25Å
529	C	89.1	Confident	87	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.061	33%	0.334	C	S	.	.			trans	-89	163.6	172.8	-57.5	0	0	0	0	111.4	F531 E538 C546	C529-F531 HydrophobicContact CB-CD1 4.07Å; C529-F531 HydrophobicContact CB-CD2 4.24Å; C529-F531 HydrophobicContact CB-CE1 3.73Å; C529-F531 HydrophobicContact CB-CE2 3.93Å; C529-F531 HydrophobicContact CB-CG 4.32Å; C529-F531 HydrophobicContact CB-CZ 3.66Å; C529-F531 PolarHBondContact O-N 2.82Å; C529-E538 HydrophobicContact CB-CB 4.22Å; C529-C546 VanDerWaalsContact CA-SG 3.53Å; C529-C546 HydrophobicContact CB-CB 3.86Å; C529-C546 WeakPolarHBondContact CB-SG 3.46Å; C529-C546 VanDerWaalsContact SG-CA 3.58Å; C529-C546 WeakPolarHBondContact SG-CB 3.44Å; C529-C546 CovalentContact SG-SG 2.04Å; C529-C546 PolarHBondContact SG-SG 3.48Å
530	M	89.9	Confident	87	Confident	66 Å²	66	55.8 Å²	55.8	33%	0.325	34%	0.336	S	S	.	.	S	Bend	trans	-76	56.7	176.1	-65.7	-169.3	-173	0	0	112	T533 R536 R537 E538	M530-T533 WeakPolarHBondContact CB-O 3.47Å; M530-R536 WeakPolarHBondContact CB-O 3.46Å; M530-R537 WeakPolarHBondContact O-CA 3.39Å; M530-R537 VanDerWaalsContact O-CD 3.26Å; M530-R537 WeakPolarHBondContact O-CD 3.42Å; M530-E538 HydrophobicContact CB-CB 4.2Å; M530-E538 HydrophobicContact CB-CG 3.97Å; M530-E538 PolarHBondContact N-OE2 3.49Å; M530-E538 PolarHBondContact O-N 3.47Å
531	F	86.9	Confident	86.8	Confident	26 Å²	26	56.3 Å²	56.3	11%	0.114	34%	0.338	C	S	.	.	S	Bend	trans	-67.8	-49.5	179.8	-61.5	-53	0	0	0	112.1	Y519 D528 C529 R537 E538 A540	Y519-F531 HydrophobicContact CE1-CZ 4.4Å; D528-F531 WeakPolarHBondContact OD1-CD2 3.47Å; D528-F531 WeakPolarHBondContact OD1-CE2 3.25Å; C529-F531 HydrophobicContact CB-CD1 4.07Å; C529-F531 HydrophobicContact CB-CD2 4.24Å; C529-F531 HydrophobicContact CB-CE1 3.73Å; C529-F531 HydrophobicContact CB-CE2 3.93Å; C529-F531 HydrophobicContact CB-CG 4.32Å; C529-F531 HydrophobicContact CB-CZ 3.66Å; C529-F531 PolarHBondContact O-N 2.82Å; F531-R537 PolarHBondContact O-NH1 2.97Å; F531-E538 WeakPolarHBondContact CD1-O 3.3Å; F531-A540 HydrophobicContact CE1-CB 3.91Å; F531-A540 HydrophobicContact CZ-CB 3.79Å
532	L	86.3	Confident	86.6	Confident	89 Å²	89	63.7 Å²	63.7	47%	0.466	37%	0.372	S	S	.	.	S	Bend	trans	-116	-17.5	-168.9	-55.8	-175.4	0	0	0	113.7	R537 M559	L532-R537 PolarHBondContact O-NH2 3.27Å; L532-R537 VanDerWaalsContact O-NH2 3.08Å; L532-M559 VanDerWaalsContact CD2-C 3.4Å; L532-M559 WeakPolarHBondContact CD2-O 3.04Å
533	T	79.4	Confident	86.5	Confident	104 Å²	104	65.3 Å²	65.3	64%	0.638	37%	0.372	S	S	*	.	S	Bend	trans	-129.9	166.8	-175.2	53.8	0	0	0	0	110.3	M530	M530-T533 WeakPolarHBondContact CB-O 3.47Å
534	G	76.8	Confident	86.7	Confident	43 Å²	43	64 Å²	64	44%	0.443	36%	0.359	S	S	.	.	S	Bend	trans	87.6	157.3	-176.7	0	0	0	0	0	113.9
535	T	70.1	Confident	86.7	Confident	145 Å²	145	65.9 Å²	65.9	89%	0.89	37%	0.365	S	S	*	.	S	Bend	trans	-76.3	-33.8	-178.7	48.7	0	0	0	0	112.7
536	R	80.1	Confident	86.6	Confident	163 Å²	163	66 Å²	66	62%	0.615	37%	0.365	S	S	*	.	S	Bend	trans	-104.4	112.1	171.9	-167.4	177.4	-164.5	-179.6	3	108.7	M530 P548	M530-R536 WeakPolarHBondContact CB-O 3.46Å; R536-P548 HydrophobicContact CG-CB 4.23Å; R536-P548 VanDerWaalsContact NE-CB 3.32Å
537	R	90.1	Very high	86.6	Confident	19 Å²	19	67.5 Å²	67.5	7%	0.072	37%	0.372	C	S	.	.			trans	-82.6	147.2	-179.7	-66.2	-66.4	-166.4	81.8	13.6	111.7	M530 F531 L532 C549 V555 Q556 M559 T561	M530-R537 WeakPolarHBondContact O-CA 3.39Å; M530-R537 VanDerWaalsContact O-CD 3.26Å; M530-R537 WeakPolarHBondContact O-CD 3.42Å; F531-R537 PolarHBondContact O-NH1 2.97Å; L532-R537 PolarHBondContact O-NH2 3.27Å; L532-R537 VanDerWaalsContact O-NH2 3.08Å; R537-C549 PolarHBondContact O-N 3.05Å; R537-V555 HydrophobicContact CG-CG1 4.13Å; R537-V555 HydrophobicContact CG-CG2 4.32Å; R537-V555 VanDerWaalsContact NH2-CG1 3.31Å; R537-Q556 VanDerWaalsContact CZ-O 3.25Å; R537-Q556 PolarHBondContact NH1-O 3Å; R537-Q556 PolarHBondContact NH2-O 3.43Å; R537-M559 PolarHBondContact NH1-O 3.03Å; R537-T561 HydrophobicContact CB-CG2 4.12Å; R537-T561 HydrophobicContact CG-CG2 4.45Å; R537-T561 PolarHBondContact NH1-OG1 3.12Å
538	E	92.4	Very high	86.6	Confident	17 Å²	17	66 Å²	66	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.6	-174.3	-67.9	173.4	159.5	0	0	111.6	R521 C529 M530 F531 C546 L547	R521-E538 IonicContact CZ-OE1 2.68Å; R521-E538 IonicContact CZ-OE2 3.43Å; R521-E538 IonicContact NE-OE1 3.74Å; R521-E538 PolarHBondContact NE-OE1 3.3Å; R521-E538 IonicContact NE-OE2 2.66Å; R521-E538 PolarHBondContact NE-OE2 3.48Å; R521-E538 IonicContact NH2-OE1 2.74Å; R521-E538 IonicContact NH2-OE2 2.62Å; R521-E538 PolarHBondContact NH2-OE2 3.28Å; C529-E538 HydrophobicContact CB-CB 4.22Å; M530-E538 HydrophobicContact CB-CB 4.2Å; M530-E538 HydrophobicContact CB-CG 3.97Å; M530-E538 PolarHBondContact N-OE2 3.49Å; M530-E538 PolarHBondContact O-N 3.47Å; F531-E538 WeakPolarHBondContact CD1-O 3.3Å; E538-C546 WeakPolarHBondContact OE2-CB 3.25Å; E538-L547 CarbonylContact C-O 3.59Å; E538-L547 WeakPolarHBondContact CA-O 3.49Å; E538-L547 WeakPolarHBondContact CB-O 3.28Å
539	F	91.6	Very high	86.7	Confident	19 Å²	19	62.9 Å²	62.9	8%	0.083	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	160.2	160.9	73.4	-80.6	0	0	0	109.1	T541 L547 G564 P565	F539-T541 HydrophobicContact CE2-CG2 4.11Å; F539-L547 HydrophobicContact CD1-CB 4.28Å; F539-L547 VanDerWaalsContact CD1-O 3.27Å; F539-L547 WeakPolarHBondContact CD1-O 3.33Å; F539-L547 HydrophobicContact CE1-CB 3.56Å; F539-L547 HydrophobicContact CE2-CB 4.3Å; F539-L547 HydrophobicContact CZ-CB 3.56Å; F539-L547 HydrophobicContact CZ-CD1 3.95Å; F539-L547 HydrophobicContact CZ-CG 4.35Å; F539-L547 PolarHBondContact N-O 3.26Å; F539-L547 PolarHBondContact O-N 3.05Å; F539-G564 VanDerWaalsContact CE1-C 3.48Å; F539-P565 HydrophobicContact CE1-CB 3.95Å; F539-P565 HydrophobicContact CZ-CB 3.92Å; F539-P565 VanDerWaalsContact CZ-CD 3.42Å; F539-P565 HydrophobicContact CZ-CG 4.05Å
540	A	90.7	Very high	86.9	Confident	35 Å²	35	65.6 Å²	65.6	29%	0.289	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.3	175.5	0	0	0	0	0	109.8	Y519 F531 E545	Y519-A540 HydrophobicContact CD1-CB 4.14Å; Y519-A540 HydrophobicContact CE1-CB 3.75Å; F531-A540 HydrophobicContact CE1-CB 3.91Å; F531-A540 HydrophobicContact CZ-CB 3.79Å; A540-E545 WeakPolarHBondContact CA-O 3.28Å
541	T	87.8	Confident	87	Confident	36 Å²	36	67.7 Å²	67.7	22%	0.221	38%	0.375	C	S	.	.			trans	-71.4	169.7	169.6	67.5	0	0	0	0	111.1	F539 S543 G544 E545 L547	F539-T541 HydrophobicContact CE2-CG2 4.11Å; T541-S543 PolarHBondContact O-N 3.22Å; T541-S543 VanDerWaalsContact O-N 3.12Å; T541-S543 PolarHBondContact OG1-N 3.14Å; T541-S543 PolarHBondContact OG1-OG 3.29Å; T541-G544 PolarHBondContact O-N 2.96Å; T541-G544 VanDerWaalsContact O-N 3.08Å; T541-E545 HydrophobicContact CG2-CB 4.07Å; T541-E545 PolarHBondContact N-O 3.43Å; T541-E545 VanDerWaalsContact OG1-CB 3.3Å; T541-E545 WeakPolarHBondContact OG1-CB 3.49Å; T541-E545 PolarHBondContact OG1-N 3.05Å; T541-L547 HydrophobicContact CG2-CD1 3.5Å; T541-L547 VanDerWaalsContact CG2-CD1 3.5Å; T541-L547 HydrophobicContact CG2-CG 3.97Å
542	K	84.4	Confident	87.3	Confident	229 Å²	229	68.1 Å²	68.1	100%	0.996	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.2	172.7	-66.4	-174.2	179.1	-178.1	0	113.8
543	S	82.2	Confident	87.6	Confident	102 Å²	102	64.3 Å²	64.3	71%	0.713	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	9.5	176.3	49.9	0	0	0	0	113.6	T541	T541-S543 PolarHBondContact O-N 3.22Å; T541-S543 VanDerWaalsContact O-N 3.12Å; T541-S543 PolarHBondContact OG1-N 3.14Å; T541-S543 PolarHBondContact OG1-OG 3.29Å
544	G	86.4	Confident	88.1	Confident	12 Å²	12	64.8 Å²	64.8	12%	0.124	35%	0.352	C	S	.	.	S	Bend	trans	79	13.1	178.8	0	0	0	0	0	114.7	Y519 S520 T541	Y519-G544 CarbonylContact C-O 3.58Å; Y519-G544 WeakPolarHBondContact CA-O 3.41Å; S520-G544 PolarHBondContact N-O 2.88Å; T541-G544 PolarHBondContact O-N 2.96Å; T541-G544 VanDerWaalsContact O-N 3.08Å
545	E	90.8	Very high	88.8	Confident	87 Å²	87	66.4 Å²	66.4	41%	0.407	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-82	123.2	176.8	-167.5	179.4	-167.4	0	0	110.2	S520 A540 T541 L547	S520-E545 WeakPolarHBondContact O-CA 3.47Å; A540-E545 WeakPolarHBondContact CA-O 3.28Å; T541-E545 HydrophobicContact CG2-CB 4.07Å; T541-E545 PolarHBondContact N-O 3.43Å; T541-E545 VanDerWaalsContact OG1-CB 3.3Å; T541-E545 WeakPolarHBondContact OG1-CB 3.49Å; T541-E545 PolarHBondContact OG1-N 3.05Å; E545-L547 HydrophobicContact CG-CD2 3.98Å; E545-L547 HydrophobicContact CG-CG 4.13Å; E545-L547 PolarHBondContact O-N 3.33Å
546	C	92.3	Very high	89.6	Confident	6 Å²	6	61.1 Å²	61.1	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	108.3	171.3	-56.3	0	0	0	0	109	S520 R521 C529 E538	S520-C546 PolarHBondContact O-N 2.93Å; R521-C546 HydrophobicContact CB-CB 4.28Å; C529-C546 VanDerWaalsContact CA-SG 3.53Å; C529-C546 HydrophobicContact CB-CB 3.86Å; C529-C546 WeakPolarHBondContact CB-SG 3.46Å; C529-C546 VanDerWaalsContact SG-CA 3.58Å; C529-C546 WeakPolarHBondContact SG-CB 3.44Å; C529-C546 CovalentContact SG-SG 2.04Å; C529-C546 PolarHBondContact SG-SG 3.48Å; E538-C546 WeakPolarHBondContact OE2-CB 3.25Å
547	L	90.5	Very high	89.8	Confident	53 Å²	53	61.8 Å²	61.8	28%	0.277	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.8	176.3	-68.5	-177.4	0	0	0	110.6	E538 F539 T541 E545	E538-L547 CarbonylContact C-O 3.59Å; E538-L547 WeakPolarHBondContact CA-O 3.49Å; E538-L547 WeakPolarHBondContact CB-O 3.28Å; F539-L547 HydrophobicContact CD1-CB 4.28Å; F539-L547 VanDerWaalsContact CD1-O 3.27Å; F539-L547 WeakPolarHBondContact CD1-O 3.33Å; F539-L547 HydrophobicContact CE1-CB 3.56Å; F539-L547 HydrophobicContact CE2-CB 4.3Å; F539-L547 HydrophobicContact CZ-CB 3.56Å; F539-L547 HydrophobicContact CZ-CD1 3.95Å; F539-L547 HydrophobicContact CZ-CG 4.35Å; F539-L547 PolarHBondContact N-O 3.26Å; F539-L547 PolarHBondContact O-N 3.05Å; T541-L547 HydrophobicContact CG2-CD1 3.5Å; T541-L547 VanDerWaalsContact CG2-CD1 3.5Å; T541-L547 HydrophobicContact CG2-CG 3.97Å; E545-L547 HydrophobicContact CG-CD2 3.98Å; E545-L547 HydrophobicContact CG-CG 4.13Å; E545-L547 PolarHBondContact O-N 3.33Å
548	P	91.5	Very high	89.3	Confident	44 Å²	44	64.1 Å²	64.1	29%	0.286	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	147.4	-179.3	30.1	-35.7	0	0	0	111.9	R536	R536-P548 HydrophobicContact CG-CB 4.23Å; R536-P548 VanDerWaalsContact NE-CB 3.32Å
549	C	92.2	Very high	89.1	Confident	16 Å²	16	68.5 Å²	68.5	11%	0.108	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-62.8	158.5	166.3	-64.3	0	0	0	0	111.7	R537 C553 T561 C562	R537-C549 PolarHBondContact O-N 3.05Å; C549-C553 HydrophobicContact CB-CB 4.2Å; C549-T561 HydrophobicContact CB-CG2 4.43Å; C549-C562 WeakPolarHBondContact CA-SG 3.43Å; C549-C562 HydrophobicContact CB-CB 3.71Å; C549-C562 WeakPolarHBondContact CB-SG 3.49Å; C549-C562 WeakPolarHBondContact SG-CB 3.43Å; C549-C562 CovalentContact SG-SG 2.04Å; C549-C562 PolarHBondContact SG-SG 2.83Å
550	H	92.6	Very high	88.9	Confident	66 Å²	66	73.5 Å²	73.5	31%	0.306	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-58.1	142.1	171.9	-167.3	-99.3	0	0	0	111	E552 C553	H550-E552 VanDerWaalsContact C-N 3.26Å; H550-E552 PolarHBondContact ND1-N 3.15Å; H550-E552 PolarHBondContact O-N 3.03Å; H550-C553 VanDerWaalsContact O-CB 3.3Å; H550-C553 WeakPolarHBondContact O-CB 3.43Å; H550-C553 PolarHBondContact O-N 2.83Å; H550-C553 PolarHBondContact O-SG 3Å; H550-C553 VanDerWaalsContact O-SG 3.39Å
551	P	91.6	Very high	88.9	Confident	110 Å²	110	71.9 Å²	71.9	71%	0.714	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-36	-176.9	-28.8	36.6	0	0	0	114.6	C553	P551-C553 PolarHBondContact O-N 3.18Å
552	E	92.8	Very high	89.1	Confident	35 Å²	35	70.3 Å²	70.3	16%	0.164	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	1.8	177.6	-60.5	-55.9	135.1	0	0	114.5	H550 K554 C573 S574 S575 C582	H550-E552 VanDerWaalsContact C-N 3.26Å; H550-E552 PolarHBondContact ND1-N 3.15Å; H550-E552 PolarHBondContact O-N 3.03Å; E552-K554 PolarHBondContact O-N 2.82Å; E552-C573 CarbonylContact O-C 3.5Å; E552-C573 WeakPolarHBondContact O-CA 3.17Å; E552-S574 WeakPolarHBondContact O-CB 3.31Å; E552-S574 PolarHBondContact O-N 3.02Å; E552-S575 VanDerWaalsContact OE2-CB 3.32Å; E552-S575 WeakPolarHBondContact OE2-CB 3.45Å; E552-S575 PolarHBondContact OE2-OG 3.33Å; E552-C582 HydrophobicContact CB-CB 3.65Å
553	C	92.8	Very high	89.4	Confident	9 Å²	9	64.5 Å²	64.5	6%	0.061	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-78.9	116.3	174.9	-60.9	0	0	0	0	111.3	C549 H550 P551 V555 T561 C570	C549-C553 HydrophobicContact CB-CB 4.2Å; H550-C553 VanDerWaalsContact O-CB 3.3Å; H550-C553 WeakPolarHBondContact O-CB 3.43Å; H550-C553 PolarHBondContact O-N 2.83Å; H550-C553 PolarHBondContact O-SG 3Å; H550-C553 VanDerWaalsContact O-SG 3.39Å; P551-C553 PolarHBondContact O-N 3.18Å; C553-V555 PolarHBondContact O-N 2.75Å; C553-T561 HydrophobicContact CB-CG2 3.76Å; C553-C570 WeakPolarHBondContact CA-SG 3.45Å; C553-C570 HydrophobicContact CB-CB 3.65Å; C553-C570 WeakPolarHBondContact CB-SG 3.18Å; C553-C570 WeakPolarHBondContact SG-CA 3.43Å; C553-C570 WeakPolarHBondContact SG-CB 3.46Å; C553-C570 CovalentContact SG-SG 2.04Å; C553-C570 PolarHBondContact SG-SG 3.25Å
554	K	90.9	Very high	89.7	Confident	115 Å²	115	59.8 Å²	59.8	50%	0.5	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-65.6	122.5	176.1	-174.7	169.3	-178.3	171.7	0	111	E552 Q556 T561 A572 C573	E552-K554 PolarHBondContact O-N 2.82Å; K554-Q556 PolarHBondContact O-N 3.06Å; K554-Q556 PolarHBondContact O-NE2 3.47Å; K554-T561 WeakPolarHBondContact O-CG2 3.02Å; K554-A572 HydrophobicContact CB-CB 4.32Å; K554-A572 PolarHBondContact N-O 3.37Å; K554-C573 WeakPolarHBondContact CB-O 3Å
555	V	90.4	Very high	89.9	Confident	76 Å²	76	63.1 Å²	63.1	46%	0.461	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-54.4	126	176	178.9	0	0	0	0	110.8	R537 C553	R537-V555 HydrophobicContact CG-CG1 4.13Å; R537-V555 HydrophobicContact CG-CG2 4.32Å; R537-V555 VanDerWaalsContact NH2-CG1 3.31Å; C553-V555 PolarHBondContact O-N 2.75Å
556	Q	87.6	Confident	89.8	Confident	34 Å²	34	59.8 Å²	59.8	16%	0.159	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-102.6	128.7	179.4	-58.7	-58.2	-61.2	0	0	111.1	R537 K554 M559 T561 V571	R537-Q556 VanDerWaalsContact CZ-O 3.25Å; R537-Q556 PolarHBondContact NH1-O 3Å; R537-Q556 PolarHBondContact NH2-O 3.43Å; K554-Q556 PolarHBondContact O-N 3.06Å; K554-Q556 PolarHBondContact O-NE2 3.47Å; Q556-M559 HydrophobicContact CB-CB 4.07Å; Q556-T561 PolarHBondContact N-OG1 2.92Å; Q556-T561 VanDerWaalsContact N-OG1 3.07Å; Q556-V571 HydrophobicContact CG-CB 4.24Å; Q556-V571 HydrophobicContact CG-CG1 4.2Å
557	E	83.4	Confident	89.7	Confident	178 Å²	178	60.2 Å²	60.2	83%	0.832	34%	0.342	S	S	*	.	S	Bend	trans	-75.5	139.1	170.8	-64.3	-171.6	163.3	0	0	110.5	M559	E557-M559 PolarHBondContact O-N 3.05Å
558	G	81.2	Confident	89.6	Confident	67 Å²	67	61 Å²	61	69%	0.691	35%	0.347	S	S	*	.	S	Bend	trans	66	-14.5	-179	0	0	0	0	0	116.7
559	M	86.6	Confident	89.7	Confident	109 Å²	109	62.4 Å²	62.4	54%	0.537	35%	0.35	S	S	.	.	S	Bend	trans	-122.7	163.3	-176	-63.2	-169.5	-69.5	0	0	112.9	L532 R537 Q556 E557	L532-M559 VanDerWaalsContact CD2-C 3.4Å; L532-M559 WeakPolarHBondContact CD2-O 3.04Å; R537-M559 PolarHBondContact NH1-O 3.03Å; Q556-M559 HydrophobicContact CB-CB 4.07Å; E557-M559 PolarHBondContact O-N 3.05Å
560	K	88.3	Confident	89.7	Confident	124 Å²	124	62.7 Å²	62.7	54%	0.539	35%	0.351	S	S	.	.			trans	-66.7	140.7	170.7	-63.7	-176.3	178.7	-177	0	109.7	V571	K560-V571 WeakPolarHBondContact O-CG2 3.17Å
561	T	91.1	Very high	89.7	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	36%	0.359	C	S	.	.	S	Bend	trans	-88.1	-28.6	-176.9	-68.3	0	0	0	0	113.4	R537 C549 C553 K554 Q556 V571	R537-T561 HydrophobicContact CB-CG2 4.12Å; R537-T561 HydrophobicContact CG-CG2 4.45Å; R537-T561 PolarHBondContact NH1-OG1 3.12Å; C549-T561 HydrophobicContact CB-CG2 4.43Å; C553-T561 HydrophobicContact CB-CG2 3.76Å; K554-T561 WeakPolarHBondContact O-CG2 3.02Å; Q556-T561 PolarHBondContact N-OG1 2.92Å; Q556-T561 VanDerWaalsContact N-OG1 3.07Å; T561-V571 PolarHBondContact O-N 3.27Å
562	C	92.1	Very high	89.6	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-146.5	166.1	175.7	66.5	0	0	0	0	111.3	C549 Q569	C549-C562 WeakPolarHBondContact CA-SG 3.43Å; C549-C562 HydrophobicContact CB-CB 3.71Å; C549-C562 WeakPolarHBondContact CB-SG 3.49Å; C549-C562 WeakPolarHBondContact SG-CB 3.43Å; C549-C562 CovalentContact SG-SG 2.04Å; C549-C562 PolarHBondContact SG-SG 2.83Å; C562-Q569 CarbonylContact C-O 3.48Å; C562-Q569 WeakPolarHBondContact CA-O 3.28Å; C562-Q569 VanDerWaalsContact CB-O 3.32Å; C562-Q569 WeakPolarHBondContact CB-O 3.44Å
563	T	90	Very high	89.6	Confident	108 Å²	108	59.5 Å²	59.5	66%	0.663	34%	0.341	S	S	*	.	S	Bend	trans	-110.3	-4.1	173.6	56.9	0	0	0	0	113.4	Q569	T563-Q569 PolarHBondContact N-O 2.94Å; T563-Q569 PolarHBondContact OG1-O 3.19Å
564	G	89	Confident	89.5	Confident	3 Å²	3	62.5 Å²	62.5	3%	0.031	36%	0.363	C	S	.	.	S	Bend	trans	-176	-173.3	179.4	0	0	0	0	0	111.7	F539 Q569	F539-G564 VanDerWaalsContact CE1-C 3.48Å; G564-Q569 VanDerWaalsContact C-OE1 3.23Å; G564-Q569 VanDerWaalsContact CA-OE1 3.25Å
565	P	89.8	Confident	89.5	Confident	81 Å²	81	59.9 Å²	59.9	53%	0.526	36%	0.359	S	S	.	.	S	Bend	trans	-81.5	-11.6	-172	33.2	-35.6	0	0	0	114.4	F539 Q569	F539-P565 HydrophobicContact CE1-CB 3.95Å; F539-P565 HydrophobicContact CZ-CB 3.92Å; F539-P565 VanDerWaalsContact CZ-CD 3.42Å; F539-P565 HydrophobicContact CZ-CG 4.05Å; P565-Q569 VanDerWaalsContact CD-OE1 3.22Å
566	G	88.7	Confident	89.6	Confident	18 Å²	18	58 Å²	58	19%	0.186	35%	0.346	C	S	.	.	S	Bend	trans	-78.6	151.2	-174.6	0	0	0	0	0	114.4	D568 Q569	G566-D568 PolarHBondContact O-N 3.38Å; G566-Q569 WeakPolarHBondContact O-CB 3.28Å; G566-Q569 PolarHBondContact O-N 3.15Å
567	A	89.8	Confident	89.8	Confident	15 Å²	15	58.9 Å²	58.9	12%	0.124	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17	171	0	0	0	0	0	113.5	Q569 H581 C582	A567-Q569 VanDerWaalsContact C-N 3.34Å; A567-H581 HydrophobicContact CB-CB 4.41Å; A567-C582 PolarHBondContact O-N 2.93Å
568	D	90.1	Very high	90.3	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1	168.9	42.5	3.8	0	0	0	113.5	K266 G566 P580 H581	K266-D568 IonicContact NZ-OD2 3.99Å; K266-D568 PolarHBondContact NZ-OD2 2.89Å; K266-D568 VanDerWaalsContact NZ-OD2 3.12Å; G566-D568 PolarHBondContact O-N 3.38Å; D568-P580 HydrophobicContact CB-CB 4.45Å; D568-H581 VanDerWaalsContact CB-CE1 3.5Å; D568-H581 WeakPolarHBondContact CB-CE1 3.22Å; D568-H581 VanDerWaalsContact CG-CE1 3.4Å; D568-H581 PolarHBondContact N-ND1 3.43Å; D568-H581 IonicContact OD2-CE1 2.8Å; D568-H581 PolarHBondContact OD2-CE1 3.18Å; D568-H581 IonicContact OD2-ND1 2.73Å
569	Q	93.2	Very high	90.6	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	29%	0.288	S	S	.	.	S	Bend	trans	-116.9	11.2	-175	-60.8	178.3	-40.6	0	0	113.2	C562 T563 G564 P565 G566 A567	C562-Q569 CarbonylContact C-O 3.48Å; C562-Q569 WeakPolarHBondContact CA-O 3.28Å; C562-Q569 VanDerWaalsContact CB-O 3.32Å; C562-Q569 WeakPolarHBondContact CB-O 3.44Å; T563-Q569 PolarHBondContact N-O 2.94Å; T563-Q569 PolarHBondContact OG1-O 3.19Å; G564-Q569 VanDerWaalsContact C-OE1 3.23Å; G564-Q569 VanDerWaalsContact CA-OE1 3.25Å; P565-Q569 VanDerWaalsContact CD-OE1 3.22Å; G566-Q569 WeakPolarHBondContact O-CB 3.28Å; G566-Q569 PolarHBondContact O-N 3.15Å; A567-Q569 VanDerWaalsContact C-N 3.34Å
570	C	92.1	Very high	90.8	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.149	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-72.9	145.2	167.6	-56.5	0	0	0	0	111.2	C553	C553-C570 WeakPolarHBondContact CA-SG 3.45Å; C553-C570 HydrophobicContact CB-CB 3.65Å; C553-C570 WeakPolarHBondContact CB-SG 3.18Å; C553-C570 WeakPolarHBondContact SG-CA 3.43Å; C553-C570 WeakPolarHBondContact SG-CB 3.46Å; C553-C570 CovalentContact SG-SG 2.04Å; C553-C570 PolarHBondContact SG-SG 3.25Å
571	V	91.5	Very high	90.9	Very high	77 Å²	77	41.4 Å²	41.4	47%	0.467	26%	0.262	S	S	.	.	S	Bend	trans	-74.8	-31.8	172.6	173.7	0	0	0	0	111.7	Q556 K560 T561	Q556-V571 HydrophobicContact CG-CB 4.24Å; Q556-V571 HydrophobicContact CG-CG1 4.2Å; K560-V571 WeakPolarHBondContact O-CG2 3.17Å; T561-V571 PolarHBondContact O-N 3.27Å
572	A	90.4	Very high	91	Very high	36 Å²	36	41.6 Å²	41.6	30%	0.298	26%	0.263	S	S	.	.	S	Bend	trans	-151.2	155.5	167.6	0	0	0	0	0	110.2	K554	K554-A572 HydrophobicContact CB-CB 4.32Å; K554-A572 PolarHBondContact N-O 3.37Å
573	C	92.1	Very high	91	Very high	30 Å²	30	43.1 Å²	43.1	20%	0.203	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-84	144.5	177.9	-53.7	0	0	0	0	111.9	E552 K554 L576 C582	E552-C573 CarbonylContact O-C 3.5Å; E552-C573 WeakPolarHBondContact O-CA 3.17Å; K554-C573 WeakPolarHBondContact CB-O 3Å; C573-L576 WeakPolarHBondContact CB-O 3.45Å; C573-C582 WeakPolarHBondContact CA-SG 3.48Å; C573-C582 HydrophobicContact CB-CB 3.53Å; C573-C582 WeakPolarHBondContact CB-SG 3.33Å; C573-C582 WeakPolarHBondContact SG-CA 3.43Å; C573-C582 WeakPolarHBondContact SG-CB 3.04Å; C573-C582 CovalentContact SG-SG 2.04Å; C573-C582 PolarHBondContact SG-SG 3.41Å
574	S	91.3	Very high	91	Very high	73 Å²	73	41.8 Å²	41.8	51%	0.51	27%	0.267	S	S	.	.	S	Bend	trans	-76.4	-43	176.3	-169.8	0	0	0	0	111.7	E552	E552-S574 WeakPolarHBondContact O-CB 3.31Å; E552-S574 PolarHBondContact O-N 3.02Å
575	S	90.6	Very high	91.2	Very high	60 Å²	60	45.4 Å²	45.4	42%	0.42	29%	0.292	S	S	.	.	S	Bend	trans	-111.3	-81.3	-169.9	-41.3	0	0	0	0	110.8	E552 V583	E552-S575 VanDerWaalsContact OE2-CB 3.32Å; E552-S575 WeakPolarHBondContact OE2-CB 3.45Å; E552-S575 PolarHBondContact OE2-OG 3.33Å; S575-V583 WeakPolarHBondContact CB-O 3.48Å
576	L	92.9	Very high	91.2	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.188	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	170.1	-179.2	-62.5	170.5	0	0	0	111.1	C573 C582 V583 A601 G605	C573-L576 WeakPolarHBondContact CB-O 3.45Å; L576-C582 WeakPolarHBondContact O-CA 3.46Å; L576-V583 CarbonylContact C-O 3.49Å; L576-V583 WeakPolarHBondContact CA-O 3.28Å; L576-V583 HydrophobicContact CB-CG2 4.08Å; L576-V583 WeakPolarHBondContact CB-O 3.44Å; L576-V583 PolarHBondContact N-O 3.17Å; L576-V583 PolarHBondContact O-N 2.88Å; L576-A601 HydrophobicContact CD1-CB 4.07Å; L576-A601 HydrophobicContact CD2-CB 3.86Å; L576-G605 CarbonylContact C-O 3.53Å; L576-G605 VanDerWaalsContact CA-O 3.28Å; L576-G605 WeakPolarHBondContact CA-O 3.19Å
577	Q	92.6	Very high	91.3	Very high	52 Å²	52	42 Å²	42	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.2	175.5	-170.2	-173.8	52.5	0	0	112.2	G579 H581 G605 R606 C607	Q577-G579 WeakPolarHBondContact CG-O 3.4Å; Q577-H581 CarbonylContact C-O 3.57Å; Q577-H581 VanDerWaalsContact CA-O 3.25Å; Q577-H581 WeakPolarHBondContact CA-O 3.46Å; Q577-H581 WeakPolarHBondContact CG-O 3.48Å; Q577-G605 PolarHBondContact N-O 3.38Å; Q577-R606 CarbonylContact O-C 3.58Å; Q577-R606 VanDerWaalsContact O-CA 3.31Å; Q577-R606 WeakPolarHBondContact O-CA 3.39Å; Q577-C607 PolarHBondContact O-N 3.44Å
578	D	92.2	Very high	91.2	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.8	171	-171.5	37.4	0	0	0	110.8	Y260 F265 P580 H581 V583 P587 K599 C607	Y260-D578 PolarHBondContact OH-OD2 2.78Å; F265-D578 WeakPolarHBondContact CD1-OD1 3.44Å; D578-P580 WeakPolarHBondContact O-CD 3.17Å; D578-H581 PolarHBondContact N-O 2.95Å; D578-H581 PolarHBondContact O-N 3.17Å; D578-V583 HydrophobicContact CB-CG1 4.13Å; D578-V583 HydrophobicContact CB-CG2 3.89Å; D578-P587 WeakPolarHBondContact OD2-CG 3.33Å; D578-K599 IonicContact OD1-NZ 2.63Å; D578-K599 PolarHBondContact OD1-NZ 3.45Å; D578-K599 IonicContact OD2-NZ 3.69Å; D578-C607 HydrophobicContact CB-CB 3.91Å; D578-C607 WeakPolarHBondContact OD1-CB 3.41Å
579	G	88.3	Confident	90.9	Very high	19 Å²	19	45.4 Å²	45.4	20%	0.196	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	-115.8	-172.1	0	0	0	0	0	111.5	Q577	Q577-G579 WeakPolarHBondContact CG-O 3.4Å
580	P	90.6	Very high	90.5	Very high	66 Å²	66	43.7 Å²	43.7	43%	0.429	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.2	172.6	35.9	-33.1	0	0	0	114.1	D568 D578	D568-P580 HydrophobicContact CB-CB 4.45Å; D578-P580 WeakPolarHBondContact O-CD 3.17Å
581	H	91.6	Very high	89.9	Confident	22 Å²	22	46.5 Å²	46.5	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.5	-169.3	-65.9	-64	0	0	0	113.8	F265 K266 A567 D568 Q577 D578 V583	F265-H581 PolarHBondContact O-CD2 3.27Å; K266-H581 WeakPolarHBondContact CE-CE1 3.34Å; K266-H581 WeakPolarHBondContact CE-NE2 3.37Å; A567-H581 HydrophobicContact CB-CB 4.41Å; D568-H581 VanDerWaalsContact CB-CE1 3.5Å; D568-H581 WeakPolarHBondContact CB-CE1 3.22Å; D568-H581 VanDerWaalsContact CG-CE1 3.4Å; D568-H581 PolarHBondContact N-ND1 3.43Å; D568-H581 IonicContact OD2-CE1 2.8Å; D568-H581 PolarHBondContact OD2-CE1 3.18Å; D568-H581 IonicContact OD2-ND1 2.73Å; Q577-H581 CarbonylContact C-O 3.57Å; Q577-H581 VanDerWaalsContact CA-O 3.25Å; Q577-H581 WeakPolarHBondContact CA-O 3.46Å; Q577-H581 WeakPolarHBondContact CG-O 3.48Å; D578-H581 PolarHBondContact N-O 2.95Å; D578-H581 PolarHBondContact O-N 3.17Å; H581-V583 HydrophobicContact CB-CG1 4.3Å
582	C	92.8	Very high	89.1	Confident	5 Å²	5	43 Å²	43	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.5	164.4	-57.3	0	0	0	0	111	E552 A567 C573 L576	E552-C582 HydrophobicContact CB-CB 3.65Å; A567-C582 PolarHBondContact O-N 2.93Å; C573-C582 WeakPolarHBondContact CA-SG 3.48Å; C573-C582 HydrophobicContact CB-CB 3.53Å; C573-C582 WeakPolarHBondContact CB-SG 3.33Å; C573-C582 WeakPolarHBondContact SG-CA 3.43Å; C573-C582 WeakPolarHBondContact SG-CB 3.04Å; C573-C582 CovalentContact SG-SG 2.04Å; C573-C582 PolarHBondContact SG-SG 3.41Å; L576-C582 WeakPolarHBondContact O-CA 3.46Å
583	V	91.3	Very high	88	Confident	34 Å²	34	44.5 Å²	44.5	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.3	-175.4	-63.3	0	0	0	0	110.7	S575 L576 D578 H581 S585	S575-V583 WeakPolarHBondContact CB-O 3.48Å; L576-V583 CarbonylContact C-O 3.49Å; L576-V583 WeakPolarHBondContact CA-O 3.28Å; L576-V583 HydrophobicContact CB-CG2 4.08Å; L576-V583 WeakPolarHBondContact CB-O 3.44Å; L576-V583 PolarHBondContact N-O 3.17Å; L576-V583 PolarHBondContact O-N 2.88Å; D578-V583 HydrophobicContact CB-CG1 4.13Å; D578-V583 HydrophobicContact CB-CG2 3.89Å; H581-V583 HydrophobicContact CB-CG1 4.3Å; V583-S585 WeakPolarHBondContact CB-O 3.24Å; V583-S585 WeakPolarHBondContact CG2-O 3.35Å
584	S	90.9	Very high	86.8	Confident	80 Å²	80	51.1 Å²	51.1	56%	0.559	33%	0.325	S	S	*	.	S	Bend	trans	-74.6	-40.1	178.1	49.5	0	0	0	0	112.7
585	S	91.6	Very high	86	Confident	79 Å²	79	49.1 Å²	49.1	55%	0.552	32%	0.316	S	S	*	.	S	Bend	trans	-130.5	158.6	173.2	58.4	0	0	0	0	110.8	V583	V583-S585 WeakPolarHBondContact CB-O 3.24Å; V583-S585 WeakPolarHBondContact CG2-O 3.35Å
586	C	91.3	Very high	85.6	Confident	12 Å²	12	49.9 Å²	49.9	8%	0.081	32%	0.318	C	S	.	.			trans	-74.3	152.4	170.2	-66.6	0	0	0	0	111.3	D588 K599 C607	C586-D588 PolarHBondContact O-N 3.41Å; C586-D588 VanDerWaalsContact O-N 3.08Å; C586-K599 HydrophobicContact CB-CB 4.06Å; C586-K599 WeakPolarHBondContact CB-O 3.42Å; C586-C607 WeakPolarHBondContact CA-SG 3.45Å; C586-C607 HydrophobicContact CB-CB 3.73Å; C586-C607 WeakPolarHBondContact CB-SG 3.4Å; C586-C607 WeakPolarHBondContact SG-CA 3.41Å; C586-C607 WeakPolarHBondContact SG-CB 3.38Å; C586-C607 CovalentContact SG-SG 2.04Å; C586-C607 PolarHBondContact SG-SG 2.95Å
587	P	89.8	Confident	85.3	Confident	17 Å²	17	48.6 Å²	48.6	11%	0.11	31%	0.312	C	S	.	.			trans	-57.6	113.3	177.1	-24.9	32.4	0	0	0	112.8	Y260 D578 V590 F598 K599	Y260-P587 HydrophobicContact CE2-CB 4.39Å; Y260-P587 HydrophobicContact CE2-CG 3.85Å; D578-P587 WeakPolarHBondContact OD2-CG 3.33Å; P587-V590 HydrophobicContact CB-CG1 4.18Å; P587-V590 HydrophobicContact CB-CG2 3.81Å; P587-F598 CarbonylContact O-C 3.51Å; P587-K599 HydrophobicContact CB-CG 4.34Å; P587-K599 HydrophobicContact CG-CD 4.21Å; P587-K599 HydrophobicContact CG-CG 4.44Å; P587-K599 PolarHBondContact O-N 3.31Å
588	D	88.7	Confident	85.2	Confident	115 Å²	115	47.5 Å²	47.5	62%	0.615	31%	0.306	S	S	*	.			trans	-121.8	132.4	179.8	-172.3	6.8	0	0	0	108.5	C586 V590 F598	C586-D588 PolarHBondContact O-N 3.41Å; C586-D588 VanDerWaalsContact O-N 3.08Å; D588-V590 PolarHBondContact O-N 3.11Å; D588-V590 VanDerWaalsContact O-N 3.1Å; D588-F598 WeakPolarHBondContact OD1-CD1 3.39Å; D588-F598 WeakPolarHBondContact OD1-CE1 3.42Å
589	G	83.2	Confident	85.1	Confident	40 Å²	40	48 Å²	48	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	62.1	12.5	-179	0	0	0	0	0	116.9	V596	G589-V596 VanDerWaalsContact C-CG1 3.44Å
590	V	85.3	Confident	85.3	Confident	37 Å²	37	48.4 Å²	48.4	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.3	-171.4	-54.6	0	0	0	0	112.7	Y260 P587 D588 G592 I597	Y260-V590 HydrophobicContact CD1-CG2 4.48Å; Y260-V590 HydrophobicContact CD2-CG2 4.22Å; Y260-V590 HydrophobicContact CG-CG2 3.89Å; P587-V590 HydrophobicContact CB-CG1 4.18Å; P587-V590 HydrophobicContact CB-CG2 3.81Å; D588-V590 PolarHBondContact O-N 3.11Å; D588-V590 VanDerWaalsContact O-N 3.1Å; V590-G592 PolarHBondContact O-N 3.33Å; V590-I597 HydrophobicContact CG2-CB 3.91Å; V590-I597 HydrophobicContact CG2-CG2 4.36Å; V590-I597 PolarHBondContact N-O 3.05Å; V590-I597 PolarHBondContact O-N 2.87Å
591	M	78.5	Confident	85.4	Confident	81 Å²	81	47.8 Å²	47.8	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	115.8	179.5	-73	-63.6	-68.9	0	0	112	I259 Y260 V596	I259-M591 CarbonylContact C-O 3.55Å; I259-M591 VanDerWaalsContact CA-O 3.32Å; I259-M591 WeakPolarHBondContact CA-O 3.33Å; I259-M591 WeakPolarHBondContact CB-O 3.17Å; I259-M591 HydrophobicContact CG2-CB 4.45Å; Y260-M591 PolarHBondContact N-O 3.34Å; M591-V596 HydrophobicContact SD-CG2 4.01Å
592	G	74.7	Confident	85.4	Confident	4 Å²	4	47.4 Å²	47.4	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	167.3	165.9	0	0	0	0	0	112.4	V590 E594 G595	V590-G592 PolarHBondContact O-N 3.33Å; G592-E594 PolarHBondContact O-N 3.26Å; G592-E594 VanDerWaalsContact O-N 3.09Å; G592-G595 CarbonylContact C-O 3.29Å; G592-G595 VanDerWaalsContact CA-O 3.27Å; G592-G595 WeakPolarHBondContact CA-O 3.45Å; G592-G595 PolarHBondContact N-O 2.81Å; G592-G595 PolarHBondContact O-N 3.37Å; G592-G595 VanDerWaalsContact O-N 3.15Å
593	G	68.1	Low	85	Confident	67 Å²	67	57.3 Å²	57.3	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.9	-177	0	0	0	0	0	116.1
594	E	66.3	Low	84.8	Confident	169 Å²	169	62.8 Å²	62.8	79%	0.79	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	3.2	179.2	-60.6	171.3	136.1	0	0	112.8	K262 G592	K262-E594 IonicContact NZ-OE2 3.51Å; K262-E594 PolarHBondContact NZ-OE2 3.37Å; G592-E594 PolarHBondContact O-N 3.26Å; G592-E594 VanDerWaalsContact O-N 3.09Å
595	G	74.6	Confident	84.6	Confident	31 Å²	31	60 Å²	60	32%	0.32	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.9	-176.5	-172.7	0	0	0	0	0	113.3	G592	G592-G595 CarbonylContact C-O 3.29Å; G592-G595 VanDerWaalsContact CA-O 3.27Å; G592-G595 WeakPolarHBondContact CA-O 3.45Å; G592-G595 PolarHBondContact N-O 2.81Å; G592-G595 PolarHBondContact O-N 3.37Å; G592-G595 VanDerWaalsContact O-N 3.15Å
596	V	83.1	Confident	84.6	Confident	76 Å²	76	62.1 Å²	62.1	46%	0.461	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	137.3	-178.3	-168.5	0	0	0	0	110.8	G589 M591 F598	G589-V596 VanDerWaalsContact C-CG1 3.44Å; M591-V596 HydrophobicContact SD-CG2 4.01Å; V596-F598 HydrophobicContact CB-CE2 3.9Å; V596-F598 HydrophobicContact CB-CZ 4.39Å; V596-F598 HydrophobicContact CG1-CD2 4.15Å; V596-F598 HydrophobicContact CG1-CE1 4.31Å; V596-F598 HydrophobicContact CG1-CE2 3.48Å; V596-F598 VanDerWaalsContact CG1-CE2 3.48Å; V596-F598 HydrophobicContact CG1-CZ 3.57Å
597	I	85.6	Confident	84.7	Confident	10 Å²	10	62 Å²	62	5%	0.051	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130	179.4	-63	170.7	0	0	0	109.1	Y260 K262 V590 K599	Y260-I597 HydrophobicContact CD1-CD1 3.68Å; Y260-I597 HydrophobicContact CE1-CD1 4.5Å; Y260-I597 HydrophobicContact CG-CD1 4.47Å; K262-I597 HydrophobicContact CD-CD1 4.26Å; K262-I597 HydrophobicContact CG-CD1 3.57Å; K262-I597 HydrophobicContact CG-CG1 4.48Å; V590-I597 HydrophobicContact CG2-CB 3.91Å; V590-I597 HydrophobicContact CG2-CG2 4.36Å; V590-I597 PolarHBondContact N-O 3.05Å; V590-I597 PolarHBondContact O-N 2.87Å; I597-K599 HydrophobicContact CG2-CG 4.39Å
598	F	90.5	Very high	84.8	Confident	29 Å²	29	64.8 Å²	64.8	13%	0.127	36%	0.36	C	S	.	.			trans	-121.9	139.4	174.9	-63	-84	0	0	0	109.8	P587 D588 V596 C610 C614 T615	P587-F598 CarbonylContact O-C 3.51Å; D588-F598 WeakPolarHBondContact OD1-CD1 3.39Å; D588-F598 WeakPolarHBondContact OD1-CE1 3.42Å; V596-F598 HydrophobicContact CB-CE2 3.9Å; V596-F598 HydrophobicContact CB-CZ 4.39Å; V596-F598 HydrophobicContact CG1-CD2 4.15Å; V596-F598 HydrophobicContact CG1-CE1 4.31Å; V596-F598 HydrophobicContact CG1-CE2 3.48Å; V596-F598 VanDerWaalsContact CG1-CE2 3.48Å; V596-F598 HydrophobicContact CG1-CZ 3.57Å; F598-C610 VanDerWaalsContact C-SG 3.56Å; F598-C610 HydrophobicContact CB-CB 3.93Å; F598-C610 WeakPolarHBondContact CB-SG 3.46Å; F598-C610 WeakPolarHBondContact O-CB 3.35Å; F598-C610 PolarHBondContact O-N 3.2Å; F598-C614 VanDerWaalsContact CD2-O 3.27Å; F598-C614 WeakPolarHBondContact CD2-O 3.27Å; F598-T615 WeakPolarHBondContact CE2-O 3.37Å; F598-T615 WeakPolarHBondContact CZ-O 3.47Å
599	K	91.3	Very high	84.8	Confident	16 Å²	16	63 Å²	63	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.7	174.7	-59.1	-155.8	-168.8	-178.3	0	111.5	Y260 D578 C586 P587 I597 C607 E608 T609	Y260-K599 WeakPolarHBondContact OH-CE 3.25Å; Y260-K599 PolarHBondContact OH-NZ 3.28Å; D578-K599 IonicContact OD1-NZ 2.63Å; D578-K599 PolarHBondContact OD1-NZ 3.45Å; D578-K599 IonicContact OD2-NZ 3.69Å; C586-K599 HydrophobicContact CB-CB 4.06Å; C586-K599 WeakPolarHBondContact CB-O 3.42Å; P587-K599 HydrophobicContact CB-CG 4.34Å; P587-K599 HydrophobicContact CG-CD 4.21Å; P587-K599 HydrophobicContact CG-CG 4.44Å; P587-K599 PolarHBondContact O-N 3.31Å; I597-K599 HydrophobicContact CG2-CG 4.39Å; K599-C607 HydrophobicContact CB-CB 4.34Å; K599-C607 HydrophobicContact CD-CB 4.08Å; K599-E608 CarbonylContact C-O 3.53Å; K599-E608 WeakPolarHBondContact CA-O 3.25Å; K599-E608 VanDerWaalsContact CB-O 3.29Å; K599-E608 WeakPolarHBondContact CB-O 3.28Å; K599-T609 HydrophobicContact CD-CG2 4.27Å; K599-T609 HydrophobicContact CG-CG2 4.26Å
600	Y	91.7	Very high	85.2	Confident	27 Å²	27	61.5 Å²	61.5	11%	0.106	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	159.8	172.7	70.5	-85.3	0	0	0	111.1	C607 E608 C618 P621	Y600-C607 WeakPolarHBondContact O-CA 3.27Å; Y600-E608 HydrophobicContact CD1-CB 4.37Å; Y600-E608 WeakPolarHBondContact CD1-O 3.46Å; Y600-E608 HydrophobicContact CE1-CB 3.71Å; Y600-E608 HydrophobicContact CE2-CB 4.04Å; Y600-E608 VanDerWaalsContact CZ-CB 3.49Å; Y600-E608 PolarHBondContact N-O 3.4Å; Y600-E608 PolarHBondContact O-N 3.47Å; Y600-E608 WeakPolarHBondContact OH-CB 3.46Å; Y600-E608 PolarHBondContact OH-OE2 3.33Å; Y600-C618 VanDerWaalsContact CD1-SG 3.59Å; Y600-P621 HydrophobicContact CE1-CB 4.05Å; Y600-P621 WeakPolarHBondContact OH-CB 3.41Å
601	A	93	Very high	85.3	Confident	52 Å²	52	63.4 Å²	63.4	43%	0.43	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.8	173.5	0	0	0	0	0	110.8	L576	L576-A601 HydrophobicContact CD1-CB 4.07Å; L576-A601 HydrophobicContact CD2-CB 3.86Å
602	S	90.6	Very high	85.6	Confident	15 Å²	15	66.2 Å²	66.2	11%	0.105	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-75.3	167	173.4	72.2	0	0	0	0	112.3	Q604 G605 R606 E608	S602-Q604 PolarHBondContact O-N 2.81Å; S602-G605 PolarHBondContact O-N 3.39Å; S602-R606 PolarHBondContact N-O 3.27Å; S602-R606 PolarHBondContact OG-N 2.99Å; S602-R606 PolarHBondContact OG-O 3.46Å; S602-E608 WeakPolarHBondContact CB-OE1 3.39Å; S602-E608 WeakPolarHBondContact CB-OE2 3.08Å; S602-E608 PolarHBondContact OG-OE1 3.03Å
603	K	85.8	Confident	86.1	Confident	212 Å²	212	70.7 Å²	70.7	92%	0.922	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.5	-177.3	-64.7	-177.5	179.8	178.8	0	113.7
604	Q	85.9	Confident	86.9	Confident	150 Å²	150	67.7 Å²	67.7	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.6	175.9	-64.1	82.9	-11.3	0	0	112.5	S602 R606	S602-Q604 PolarHBondContact O-N 2.81Å; Q604-R606 HydrophobicContact CB-CG 4.27Å
605	G	86.8	Confident	87.7	Confident	20 Å²	20	65 Å²	65	21%	0.206	34%	0.343	C	S	.	.	S	Bend	trans	74.6	21.9	-178.3	0	0	0	0	0	114.2	L576 Q577 S602	L576-G605 CarbonylContact C-O 3.53Å; L576-G605 VanDerWaalsContact CA-O 3.28Å; L576-G605 WeakPolarHBondContact CA-O 3.19Å; Q577-G605 PolarHBondContact N-O 3.38Å; S602-G605 PolarHBondContact O-N 3.39Å
606	R	92.3	Very high	88.2	Confident	124 Å²	124	69.7 Å²	69.7	47%	0.468	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-106	142.8	-178.2	-49	-168.8	81.3	-169	0.6	110.9	Q577 S602 Q604	Q577-R606 CarbonylContact O-C 3.58Å; Q577-R606 VanDerWaalsContact O-CA 3.31Å; Q577-R606 WeakPolarHBondContact O-CA 3.39Å; S602-R606 PolarHBondContact N-O 3.27Å; S602-R606 PolarHBondContact OG-N 2.99Å; S602-R606 PolarHBondContact OG-O 3.46Å; Q604-R606 HydrophobicContact CB-CG 4.27Å
607	C	93.4	Very high	88.4	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.074	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.3	-178.7	-61.1	0	0	0	0	111.5	Q577 D578 C586 K599 Y600	Q577-C607 PolarHBondContact O-N 3.44Å; D578-C607 HydrophobicContact CB-CB 3.91Å; D578-C607 WeakPolarHBondContact OD1-CB 3.41Å; C586-C607 WeakPolarHBondContact CA-SG 3.45Å; C586-C607 HydrophobicContact CB-CB 3.73Å; C586-C607 WeakPolarHBondContact CB-SG 3.4Å; C586-C607 WeakPolarHBondContact SG-CA 3.41Å; C586-C607 WeakPolarHBondContact SG-CB 3.38Å; C586-C607 CovalentContact SG-SG 2.04Å; C586-C607 PolarHBondContact SG-SG 2.95Å; K599-C607 HydrophobicContact CB-CB 4.34Å; K599-C607 HydrophobicContact CD-CB 4.08Å; Y600-C607 WeakPolarHBondContact O-CA 3.27Å
608	E	91.7	Very high	88.6	Confident	75 Å²	75	66.7 Å²	66.7	35%	0.35	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.9	-176	-74.6	163.4	-154.1	0	0	109.7	K599 Y600 S602	K599-E608 CarbonylContact C-O 3.53Å; K599-E608 WeakPolarHBondContact CA-O 3.25Å; K599-E608 VanDerWaalsContact CB-O 3.29Å; K599-E608 WeakPolarHBondContact CB-O 3.28Å; Y600-E608 HydrophobicContact CD1-CB 4.37Å; Y600-E608 WeakPolarHBondContact CD1-O 3.46Å; Y600-E608 HydrophobicContact CE1-CB 3.71Å; Y600-E608 HydrophobicContact CE2-CB 4.04Å; Y600-E608 VanDerWaalsContact CZ-CB 3.49Å; Y600-E608 PolarHBondContact N-O 3.4Å; Y600-E608 PolarHBondContact O-N 3.47Å; Y600-E608 WeakPolarHBondContact OH-CB 3.46Å; Y600-E608 PolarHBondContact OH-OE2 3.33Å; S602-E608 WeakPolarHBondContact CB-OE1 3.39Å; S602-E608 WeakPolarHBondContact CB-OE2 3.08Å; S602-E608 PolarHBondContact OG-OE1 3.03Å
609	T	89.1	Confident	88.5	Confident	78 Å²	78	70.7 Å²	70.7	48%	0.479	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.9	-173.6	48.5	0	0	0	0	112.6	K599	K599-T609 HydrophobicContact CD-CG2 4.27Å; K599-T609 HydrophobicContact CG-CG2 4.26Å
610	C	90	Very high	88.3	Confident	7 Å²	7	70.2 Å²	70.2	5%	0.047	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-60.4	158.6	169.8	-66.1	0	0	0	0	112.5	F598 M612 C614 C618	F598-C610 VanDerWaalsContact C-SG 3.56Å; F598-C610 HydrophobicContact CB-CB 3.93Å; F598-C610 WeakPolarHBondContact CB-SG 3.46Å; F598-C610 WeakPolarHBondContact O-CB 3.35Å; F598-C610 PolarHBondContact O-N 3.2Å; C610-M612 WeakPolarHBondContact O-CE 3.5Å; C610-C614 HydrophobicContact CB-CB 4.01Å; C610-C618 WeakPolarHBondContact CA-SG 3.4Å; C610-C618 HydrophobicContact CB-CB 3.75Å; C610-C618 WeakPolarHBondContact CB-SG 3.48Å; C610-C618 WeakPolarHBondContact SG-CB 3.18Å; C610-C618 PolarHBondContact SG-N 2.96Å; C610-C618 CovalentContact SG-SG 2.02Å; C610-C618 PolarHBondContact SG-SG 3.47Å
611	H	88.9	Confident	88.2	Confident	78 Å²	78	72.9 Å²	72.9	36%	0.361	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.4	143	169.8	-174	-94.4	0	0	0	110.8	N613 C614	H611-N613 PolarHBondContact ND1-N 3.4Å; H611-N613 PolarHBondContact O-N 3.18Å; H611-C614 VanDerWaalsContact O-CB 3.28Å; H611-C614 WeakPolarHBondContact O-CB 3.4Å; H611-C614 PolarHBondContact O-N 3.21Å; H611-C614 PolarHBondContact O-SG 3.45Å; H611-C614 VanDerWaalsContact O-SG 3.41Å
612	M	84	Confident	87.8	Confident	139 Å²	139	71.6 Å²	71.6	69%	0.685	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.8	-168.8	-60.9	-64.8	91.7	0	0	114.9	C610	C610-M612 WeakPolarHBondContact O-CE 3.5Å
613	N	84.9	Confident	87.4	Confident	98 Å²	98	74.7 Å²	74.7	52%	0.524	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.5	176.6	-59	3.1	0	0	0	113.3	H611 T615 I623	H611-N613 PolarHBondContact ND1-N 3.4Å; H611-N613 PolarHBondContact O-N 3.18Å; N613-T615 VanDerWaalsContact C-N 3.28Å; N613-T615 PolarHBondContact O-N 3.43Å; N613-I623 HydrophobicContact CB-CD1 3.65Å
614	C	86	Confident	87	Confident	4 Å²	4	66.4 Å²	66.4	3%	0.027	37%	0.369	C	S	.	.			trans	-78	72.8	178.4	-57.7	0	0	0	0	110.8	F598 C610 H611 Q616 G617 C618 C626	F598-C614 VanDerWaalsContact CD2-O 3.27Å; F598-C614 WeakPolarHBondContact CD2-O 3.27Å; C610-C614 HydrophobicContact CB-CB 4.01Å; H611-C614 VanDerWaalsContact O-CB 3.28Å; H611-C614 WeakPolarHBondContact O-CB 3.4Å; H611-C614 PolarHBondContact O-N 3.21Å; H611-C614 PolarHBondContact O-SG 3.45Å; H611-C614 VanDerWaalsContact O-SG 3.41Å; C614-Q616 PolarHBondContact O-N 3.34Å; C614-G617 WeakPolarHBondContact CB-O 3.39Å; C614-G617 PolarHBondContact O-N 3.04Å; C614-C618 HydrophobicContact CB-CB 4.15Å; C614-C626 WeakPolarHBondContact CA-SG 3.48Å; C614-C626 HydrophobicContact CB-CB 3.71Å; C614-C626 WeakPolarHBondContact CB-SG 3.04Å; C614-C626 VanDerWaalsContact SG-CA 3.5Å; C614-C626 WeakPolarHBondContact SG-CB 3.48Å; C614-C626 CovalentContact SG-SG 2.03Å; C614-C626 PolarHBondContact SG-SG 3.33Å
615	T	83.1	Confident	86.9	Confident	114 Å²	114	62.1 Å²	62.1	70%	0.699	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.8	-176.6	54.2	0	0	0	0	114.8	F598 N613	F598-T615 WeakPolarHBondContact CE2-O 3.37Å; F598-T615 WeakPolarHBondContact CZ-O 3.47Å; N613-T615 VanDerWaalsContact C-N 3.28Å; N613-T615 PolarHBondContact O-N 3.43Å
616	Q	84.8	Confident	86.8	Confident	128 Å²	128	61.5 Å²	61.5	60%	0.598	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	20.2	179.5	-62.3	-177.3	-14.1	0	0	112.5	C614 V627	C614-Q616 PolarHBondContact O-N 3.34Å; Q616-V627 WeakPolarHBondContact O-CB 3.04Å
617	G	87.1	Confident	86.1	Confident	5 Å²	5	59.2 Å²	59.2	5%	0.052	34%	0.343	C	S	.	.			trans	90.1	175.8	-175.8	0	0	0	0	0	114.4	C614 V627	C614-G617 WeakPolarHBondContact CB-O 3.39Å; C614-G617 PolarHBondContact O-N 3.04Å; G617-V627 PolarHBondContact O-N 2.88Å
618	C	89.9	Confident	84.8	Confident	18 Å²	18	61.8 Å²	61.8	12%	0.122	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-153	162	-179.1	76.8	0	0	0	0	112.2	Y600 C610 C614 G620 D625	Y600-C618 VanDerWaalsContact CD1-SG 3.59Å; C610-C618 WeakPolarHBondContact CA-SG 3.4Å; C610-C618 HydrophobicContact CB-CB 3.75Å; C610-C618 WeakPolarHBondContact CB-SG 3.48Å; C610-C618 WeakPolarHBondContact SG-CB 3.18Å; C610-C618 PolarHBondContact SG-N 2.96Å; C610-C618 CovalentContact SG-SG 2.02Å; C610-C618 PolarHBondContact SG-SG 3.47Å; C614-C618 HydrophobicContact CB-CB 4.15Å; C618-G620 PolarHBondContact SG-O 3.28Å; C618-D625 CarbonylContact C-O 3.46Å; C618-D625 WeakPolarHBondContact CA-O 3.42Å; C618-D625 WeakPolarHBondContact CB-O 3.46Å
619	T	88.9	Confident	83.1	Confident	114 Å²	114	61.3 Å²	61.3	70%	0.699	37%	0.371	S	S	*	.	S	Bend	trans	-105.7	-3	172.6	57.8	0	0	0	0	113.3	D625	T619-D625 PolarHBondContact N-O 3.34Å; T619-D625 PolarHBondContact OG1-O 3.27Å
620	G	87.3	Confident	80.8	Confident	5 Å²	5	61.5 Å²	61.5	5%	0.052	38%	0.38	C	S	.	.	S	Bend	trans	-169	-179.9	-174.6	0	0	0	0	0	113.2	C618 G622	C618-G620 PolarHBondContact SG-O 3.28Å; G620-G622 PolarHBondContact O-N 3.06Å
621	P	88.2	Confident	78.6	Confident	83 Å²	83	66.1 Å²	66.1	54%	0.539	41%	0.41	S	S	.	.	S	Bend	trans	-77.3	-15.3	-172.2	29.9	-34.5	0	0	0	114.9	Y600 D625	Y600-P621 HydrophobicContact CE1-CB 4.05Å; Y600-P621 WeakPolarHBondContact OH-CB 3.41Å; P621-D625 WeakPolarHBondContact CD-OD2 3.39Å
622	G	84.9	Confident	76.2	Confident	26 Å²	26	73.9 Å²	73.9	27%	0.268	44%	0.436	S	S	.	.	S	Bend	trans	-89.1	157.7	-172.5	0	0	0	0	0	114.3	G620 G624 D625	G620-G622 PolarHBondContact O-N 3.06Å; G622-G624 PolarHBondContact O-N 3.35Å; G622-D625 WeakPolarHBondContact CA-OD2 3.42Å; G622-D625 PolarHBondContact N-OD2 2.91Å; G622-D625 WeakPolarHBondContact O-CB 3.48Å; G622-D625 PolarHBondContact O-N 3.11Å
623	I	82.2	Confident	74.1	Confident	80 Å²	80	71.6 Å²	71.6	41%	0.41	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-59.3	-29.1	170.9	-173.7	66.1	0	0	0	112.9	N613 D625 C626 I629	N613-I623 HydrophobicContact CB-CD1 3.65Å; I623-D625 VanDerWaalsContact C-N 3.3Å; I623-C626 PolarHBondContact O-SG 3.48Å; I623-C626 VanDerWaalsContact O-SG 3.4Å; I623-I629 HydrophobicContact CD1-CD1 4.13Å
624	G	77.7	Confident	72.2	Confident	37 Å²	37	74.8 Å²	74.8	38%	0.381	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-81.4	-6.2	174.5	0	0	0	0	0	114.4	G622	G622-G624 PolarHBondContact O-N 3.35Å
625	D	83.3	Confident	69.9	Low	61 Å²	61	81.3 Å²	81.3	33%	0.326	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-98.6	-0.4	174.8	-47.7	-40.3	0	0	0	111.4	C618 T619 P621 G622 I623	C618-D625 CarbonylContact C-O 3.46Å; C618-D625 WeakPolarHBondContact CA-O 3.42Å; C618-D625 WeakPolarHBondContact CB-O 3.46Å; T619-D625 PolarHBondContact N-O 3.34Å; T619-D625 PolarHBondContact OG1-O 3.27Å; P621-D625 WeakPolarHBondContact CD-OD2 3.39Å; G622-D625 WeakPolarHBondContact CA-OD2 3.42Å; G622-D625 PolarHBondContact N-OD2 2.91Å; G622-D625 WeakPolarHBondContact O-CB 3.48Å; G622-D625 PolarHBondContact O-N 3.11Å; I623-D625 VanDerWaalsContact C-N 3.3Å
626	C	85.4	Confident	67.6	Low	7 Å²	7	78.9 Å²	78.9	5%	0.047	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	-67.9	132.6	173.4	-60.1	0	0	0	0	110.6	C614 I623 G628 I629	C614-C626 WeakPolarHBondContact CA-SG 3.48Å; C614-C626 HydrophobicContact CB-CB 3.71Å; C614-C626 WeakPolarHBondContact CB-SG 3.04Å; C614-C626 VanDerWaalsContact SG-CA 3.5Å; C614-C626 WeakPolarHBondContact SG-CB 3.48Å; C614-C626 CovalentContact SG-SG 2.03Å; C614-C626 PolarHBondContact SG-SG 3.33Å; I623-C626 PolarHBondContact O-SG 3.48Å; I623-C626 VanDerWaalsContact O-SG 3.4Å; C626-G628 PolarHBondContact O-N 2.86Å; C626-I629 HydrophobicContact CB-CB 4.02Å; C626-I629 HydrophobicContact CB-CD1 3.77Å; C626-I629 HydrophobicContact CB-CG1 3.83Å; C626-I629 PolarHBondContact O-N 3.35Å
627	V	77.8	Confident	65.7	Low	75 Å²	75	81.8 Å²	81.8	46%	0.455	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	136.1	169.5	-179.5	0	0	0	0	108.6	Q616 G617 I629	Q616-V627 WeakPolarHBondContact O-CB 3.04Å; G617-V627 PolarHBondContact O-N 2.88Å; V627-I629 VanDerWaalsContact C-N 3.32Å; V627-I629 PolarHBondContact O-N 3.03Å
628	G	66.3	Low	63.6	Low	66 Å²	66	85 Å²	85	68%	0.68	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-11	-178.2	0	0	0	0	0	116.2	C626	C626-G628 PolarHBondContact O-N 2.86Å
629	I	56.2	Low	61.6	Low	65 Å²	65	88.9 Å²	88.9	33%	0.333	56%	0.555	S	S	.	*			trans	-105.9	95.3	179.3	-49.5	-173.3	0	0	0	111	I623 C626 V627	I623-I629 HydrophobicContact CD1-CD1 4.13Å; C626-I629 HydrophobicContact CB-CB 4.02Å; C626-I629 HydrophobicContact CB-CD1 3.77Å; C626-I629 HydrophobicContact CB-CG1 3.83Å; C626-I629 PolarHBondContact O-N 3.35Å; V627-I629 VanDerWaalsContact C-N 3.32Å; V627-I629 PolarHBondContact O-N 3.03Å
630	A	40.7	Very low	59.6	Low	81 Å²	81	89.7 Å²	89.7	67%	0.669	56%	0.56	S	S	*	*			trans	-60.7	137.2	169.1	0	0	0	0	0	111	R632	A630-R632 PolarHBondContact O-N 3.19Å
631	P	42.9	Very low	57.8	Low	105 Å²	105	92.4 Å²	92.4	68%	0.682	59%	0.588	S	S	*	*			trans	-74.1	87.8	-165.7	28.7	-36.6	0	0	0	113.6	A633	P631-A633 PolarHBondContact O-N 3.31Å
632	R	39.6	Very low	56.2	Low	241 Å²	241	94 Å²	94	91%	0.909	59%	0.591	S	S	*	*			trans	-75	73.8	164.6	-72.9	-175.4	173.6	167.8	-0	110.9	A630	A630-R632 PolarHBondContact O-N 3.19Å
633	A	38.1	Very low	54.7	Low	90 Å²	90	97.2 Å²	97.2	74%	0.744	60%	0.6	S	S	*	*			trans	-65.6	131.1	174.2	0	0	0	0	0	111.5	P631	P631-A633 PolarHBondContact O-N 3.31Å
634	L	45.8	Very low	53.3	Low	166 Å²	166	100 Å²	100	87%	0.869	62%	0.615	S	S	*	*			trans	-81.1	121.6	176.2	-80.5	78.7	0	0	0	111.7
635	T	36.9	Very low	52.2	Low	141 Å²	141	100.3 Å²	100.3	87%	0.865	62%	0.619	S	S	*	*			trans	-145.5	45.4	160.5	44.3	0	0	0	0	112.4	H637	T635-H637 PolarHBondContact O-N 3.45Å; T635-H637 VanDerWaalsContact O-N 3.13Å
636	G	35.1	Very low	51.1	Low	62 Å²	62	100.5 Å²	100.5	64%	0.639	62%	0.623	S	S	*	*			trans	-82	83.1	-177.3	0	0	0	0	0	115
637	H	45.3	Very low	49.9	Very low	189 Å²	189	104.7 Å²	104.7	88%	0.875	64%	0.644	S	S	*	*			trans	-152.2	51	172.2	-110.1	49.2	0	0	0	113.4	T635	T635-H637 PolarHBondContact O-N 3.45Å; T635-H637 VanDerWaalsContact O-N 3.13Å
638	A	43	Very low	49.3	Very low	72 Å²	72	103.9 Å²	103.9	60%	0.595	65%	0.645	S	S	*	*			trans	-157.5	27.1	176.4	0	0	0	0	0	114.8	T640	A638-T640 PolarHBondContact O-N 2.94Å
639	T	48.6	Very low	49.1	Very low	100 Å²	100	105 Å²	105	61%	0.613	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	8.4	-149.3	-17.7	0	0	0	0	117.4	I643	T639-I643 WeakPolarHBondContact O-CD1 3.25Å
640	T	46.6	Very low	49.6	Very low	132 Å²	132	106.4 Å²	106.4	81%	0.81	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-28.8	-173.2	46.2	0	0	0	0	115.7	A638	A638-T640 PolarHBondContact O-N 2.94Å
641	G	49.7	Very low	51.1	Low	61 Å²	61	109.9 Å²	109.9	63%	0.629	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-38.6	-179.1	0	0	0	0	0	114.3
642	I	53.7	Low	52.5	Low	117 Å²	117	110.1 Å²	110.1	60%	0.6	64%	0.641	S	S	*	*	H	α-helix	trans	-74.2	-32.2	-168.1	-64.1	171.9	0	0	0	112.4	L644 G645 V646	I642-L644 VanDerWaalsContact C-N 3.35Å; I642-L644 PolarHBondContact O-N 3.39Å; I642-G645 PolarHBondContact O-N 3.36Å; I642-V646 HydrophobicContact CG2-CG2 3.62Å; I642-V646 WeakPolarHBondContact O-CG2 3.45Å; I642-V646 PolarHBondContact O-N 2.86Å
643	I	52.9	Low	53.8	Low	93 Å²	93	101.3 Å²	101.3	48%	0.477	62%	0.617	S	S	.	*	H	α-helix	trans	-58.9	-43.1	-173	-62.6	-179.8	0	0	0	112	T639 V646 L647	T639-I643 WeakPolarHBondContact O-CD1 3.25Å; I643-V646 PolarHBondContact O-N 2.93Å; I643-L647 HydrophobicContact CG2-CD1 3.85Å; I643-L647 HydrophobicContact CG2-CG 4.37Å; I643-L647 WeakPolarHBondContact O-CB 3.49Å; I643-L647 VanDerWaalsContact O-CG 3.29Å; I643-L647 WeakPolarHBondContact O-CG 3.31Å; I643-L647 PolarHBondContact O-N 3.25Å
644	L	53.9	Low	55.4	Low	138 Å²	138	103.2 Å²	103.2	72%	0.723	61%	0.608	S	S	*	*	H	α-helix	trans	-68.4	-35.3	-178.7	-72.5	169.4	0	0	0	113	I642	I642-L644 VanDerWaalsContact C-N 3.35Å; I642-L644 PolarHBondContact O-N 3.39Å
645	G	55	Low	56.6	Low	45 Å²	45	98.2 Å²	98.2	46%	0.464	59%	0.587	S	S	.	*	H	α-helix	trans	-70.5	-43.8	174.7	0	0	0	0	0	112.4	I642 A648 T649	I642-G645 PolarHBondContact O-N 3.36Å; G645-A648 PolarHBondContact O-N 3.2Å; G645-T649 PolarHBondContact O-N 2.85Å; G645-T649 PolarHBondContact O-OG1 3.49Å
646	V	60.2	Low	58.4	Low	65 Å²	65	96 Å²	96	39%	0.394	57%	0.569	S	S	.	*	H	α-helix	trans	-67.2	-35.9	-179.1	170.1	0	0	0	0	112.2	I642 I643 A648 T649 L650	I642-V646 HydrophobicContact CG2-CG2 3.62Å; I642-V646 WeakPolarHBondContact O-CG2 3.45Å; I642-V646 PolarHBondContact O-N 2.86Å; I643-V646 PolarHBondContact O-N 2.93Å; V646-A648 VanDerWaalsContact C-N 3.31Å; V646-A648 PolarHBondContact O-N 2.72Å; V646-T649 PolarHBondContact O-N 3.14Å; V646-T649 PolarHBondContact O-OG1 3.4Å; V646-L650 HydrophobicContact CG1-CD1 3.61Å; V646-L650 HydrophobicContact CG1-CG 4.01Å; V646-L650 VanDerWaalsContact O-CB 3.27Å; V646-L650 WeakPolarHBondContact O-CB 3.36Å; V646-L650 VanDerWaalsContact O-CG 3.22Å; V646-L650 WeakPolarHBondContact O-CG 3.21Å; V646-L650 PolarHBondContact O-N 3.44Å
647	L	60.2	Low	60.1	Low	94 Å²	94	95.7 Å²	95.7	49%	0.492	55%	0.55	S	S	.	*	H	α-helix	trans	-63.3	-36.3	175.2	-75	169.4	0	0	0	112.7	I643 F651	I643-L647 HydrophobicContact CG2-CD1 3.85Å; I643-L647 HydrophobicContact CG2-CG 4.37Å; I643-L647 WeakPolarHBondContact O-CB 3.49Å; I643-L647 VanDerWaalsContact O-CG 3.29Å; I643-L647 WeakPolarHBondContact O-CG 3.31Å; I643-L647 PolarHBondContact O-N 3.25Å; L647-F651 PolarHBondContact O-N 3.34Å
648	A	64	Low	61.4	Low	58 Å²	58	89.1 Å²	89.1	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-71	-43.3	177.5	0	0	0	0	0	112.2	G645 V646 I652	G645-A648 PolarHBondContact O-N 3.2Å; V646-A648 VanDerWaalsContact C-N 3.31Å; V646-A648 PolarHBondContact O-N 2.72Å; A648-I652 PolarHBondContact O-N 3.03Å
649	T	63.2	Low	62.7	Low	89 Å²	89	91.5 Å²	91.5	55%	0.546	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-38.6	178.4	53.9	0	0	0	0	112.4	G645 V646 F651 I652 S653	G645-T649 PolarHBondContact O-N 2.85Å; G645-T649 PolarHBondContact O-OG1 3.49Å; V646-T649 PolarHBondContact O-N 3.14Å; V646-T649 PolarHBondContact O-OG1 3.4Å; T649-F651 VanDerWaalsContact C-N 3.34Å; T649-F651 PolarHBondContact O-N 2.8Å; T649-I652 PolarHBondContact O-N 3.39Å; T649-S653 PolarHBondContact O-N 2.85Å; T649-S653 PolarHBondContact O-OG 3.33Å
650	L	65.7	Low	63.6	Low	96 Å²	96	88.6 Å²	88.6	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-37.3	175.9	-76.5	174.4	0	0	0	112.8	V646 I652 S653 F654	V646-L650 HydrophobicContact CG1-CD1 3.61Å; V646-L650 HydrophobicContact CG1-CG 4.01Å; V646-L650 VanDerWaalsContact O-CB 3.27Å; V646-L650 WeakPolarHBondContact O-CB 3.36Å; V646-L650 VanDerWaalsContact O-CG 3.22Å; V646-L650 WeakPolarHBondContact O-CG 3.21Å; V646-L650 PolarHBondContact O-N 3.44Å; L650-I652 VanDerWaalsContact C-N 3.31Å; L650-I652 PolarHBondContact O-N 2.96Å; L650-S653 PolarHBondContact O-OG 3.45Å; L650-F654 WeakPolarHBondContact O-CB 3.5Å; L650-F654 PolarHBondContact O-N 2.68Å
651	F	72.6	Confident	64.4	Low	154 Å²	154	82.9 Å²	82.9	68%	0.675	47%	0.472	S	S	*	.	H	α-helix	trans	-65.4	-35.9	176.5	-112.7	-84	0	0	0	112.6	L647 T649 S655	L647-F651 PolarHBondContact O-N 3.34Å; T649-F651 VanDerWaalsContact C-N 3.34Å; T649-F651 PolarHBondContact O-N 2.8Å; F651-S655 WeakPolarHBondContact O-CB 3.44Å; F651-S655 PolarHBondContact O-N 2.75Å; F651-S655 PolarHBondContact O-OG 2.93Å
652	I	73.4	Confident	65.1	Low	109 Å²	109	84.5 Å²	84.5	56%	0.559	47%	0.466	S	S	*	.	H	α-helix	trans	-73.9	-47.7	177.8	-64.2	169.4	0	0	0	110.2	A648 T649 L650 F654 S655 I656	A648-I652 PolarHBondContact O-N 3.03Å; T649-I652 PolarHBondContact O-N 3.39Å; L650-I652 VanDerWaalsContact C-N 3.31Å; L650-I652 PolarHBondContact O-N 2.96Å; I652-F654 PolarHBondContact O-N 3.04Å; I652-S655 PolarHBondContact O-N 3.49Å; I652-I656 HydrophobicContact CG2-CD1 4.18Å; I652-I656 WeakPolarHBondContact O-CG1 3.38Å; I652-I656 PolarHBondContact O-N 2.82Å; I652-I656 VanDerWaalsContact O-N 3.08Å
653	S	66.2	Low	65.5	Low	57 Å²	57	87 Å²	87	40%	0.399	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-41.6	178.6	67.6	0	0	0	0	111.8	T649 L650 S655 I656 F657	T649-S653 PolarHBondContact O-N 2.85Å; T649-S653 PolarHBondContact O-OG 3.33Å; L650-S653 PolarHBondContact O-OG 3.45Å; S653-S655 VanDerWaalsContact C-N 3.28Å; S653-S655 PolarHBondContact O-N 3.45Å; S653-I656 PolarHBondContact O-N 2.91Å; S653-F657 VanDerWaalsContact O-CB 3.23Å; S653-F657 WeakPolarHBondContact O-CB 3.36Å; S653-F657 PolarHBondContact O-N 2.83Å
654	F	72.2	Confident	65.7	Low	129 Å²	129	86.6 Å²	86.6	57%	0.566	46%	0.461	S	S	*	.	H	α-helix	trans	-63.5	-34.4	175.7	-172.8	-103.8	0	0	0	112.1	L650 I652 V658	L650-F654 WeakPolarHBondContact O-CB 3.5Å; L650-F654 PolarHBondContact O-N 2.68Å; I652-F654 PolarHBondContact O-N 3.04Å; F654-V658 HydrophobicContact CD1-CG2 4.13Å; F654-V658 HydrophobicContact CE1-CG2 3.82Å; F654-V658 HydrophobicContact CE2-CG2 4.28Å; F654-V658 HydrophobicContact CG-CG2 4.49Å; F654-V658 HydrophobicContact CZ-CG2 3.9Å; F654-V658 WeakPolarHBondContact O-CB 3.45Å; F654-V658 WeakPolarHBondContact O-CG2 3.04Å; F654-V658 PolarHBondContact O-N 2.88Å
655	S	69.8	Low	66	Low	62 Å²	62	85.1 Å²	85.1	43%	0.434	45%	0.446	S	S	.	.	H	α-helix	trans	-68.5	-38	175.4	-60.3	0	0	0	0	112.7	F651 I652 S653 L659	F651-S655 WeakPolarHBondContact O-CB 3.44Å; F651-S655 PolarHBondContact O-N 2.75Å; F651-S655 PolarHBondContact O-OG 2.93Å; I652-S655 PolarHBondContact O-N 3.49Å; S653-S655 VanDerWaalsContact C-N 3.28Å; S653-S655 PolarHBondContact O-N 3.45Å; S655-L659 WeakPolarHBondContact O-CG 3.05Å; S655-L659 PolarHBondContact O-N 2.9Å
656	I	75.9	Confident	66.1	Low	93 Å²	93	85 Å²	85	48%	0.477	44%	0.438	S	S	.	.	H	α-helix	trans	-67.9	-50.5	174.9	-66.4	167.3	0	0	0	110	I652 S653 V658 L659 T660	I652-I656 HydrophobicContact CG2-CD1 4.18Å; I652-I656 WeakPolarHBondContact O-CG1 3.38Å; I652-I656 PolarHBondContact O-N 2.82Å; I652-I656 VanDerWaalsContact O-N 3.08Å; S653-I656 PolarHBondContact O-N 2.91Å; I656-V658 VanDerWaalsContact C-N 3.32Å; I656-V658 PolarHBondContact O-N 2.82Å; I656-L659 CarbonylContact O-C 3.59Å; I656-L659 WeakPolarHBondContact O-CA 3.44Å; I656-L659 WeakPolarHBondContact O-CB 3.49Å; I656-L659 PolarHBondContact O-N 2.79Å; I656-T660 HydrophobicContact CG2-CG2 4.37Å; I656-T660 PolarHBondContact O-N 2.86Å; I656-T660 PolarHBondContact O-OG1 2.84Å
657	F	70.9	Confident	66	Low	56 Å²	56	84.4 Å²	84.4	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-53.4	-43.9	175.3	-178.3	-84.8	0	0	0	112.3	S653 L659 T660 T661 D995 E996	S653-F657 VanDerWaalsContact O-CB 3.23Å; S653-F657 WeakPolarHBondContact O-CB 3.36Å; S653-F657 PolarHBondContact O-N 2.83Å; F657-L659 VanDerWaalsContact C-N 3.27Å; F657-L659 PolarHBondContact O-N 3.04Å; F657-T660 WeakPolarHBondContact CA-OG1 3.48Å; F657-T660 PolarHBondContact O-N 2.04Å; F657-T660 PolarHBondContact O-OG1 3.37Å; F657-T660 VanDerWaalsContact O-OG1 3.05Å; F657-T661 HydrophobicContact CD1-CG2 3.89Å; F657-T661 HydrophobicContact CE1-CG2 3.79Å; F657-T661 HydrophobicContact CG-CG2 4.37Å; F657-T661 HydrophobicContact CZ-CG2 4.21Å; F657-T661 VanDerWaalsContact O-CB 3.26Å; F657-T661 WeakPolarHBondContact O-CB 3.49Å; F657-T661 WeakPolarHBondContact O-CG2 3.4Å; F657-T661 PolarHBondContact O-N 3.14Å; F657-T661 PolarHBondContact O-OG1 3.04Å; F657-D995 HydrophobicContact CD2-CB 3.9Å; F657-D995 HydrophobicContact CE2-CB 3.47Å; F657-D995 VanDerWaalsContact CE2-CB 3.47Å; F657-D995 VanDerWaalsContact CE2-N 3.33Å; F657-D995 HydrophobicContact CZ-CB 3.91Å; F657-E996 HydrophobicContact CD2-CB 4.27Å; F657-E996 HydrophobicContact CD2-CG 4.33Å
658	V	72.6	Confident	65.8	Low	52 Å²	52	83.5 Å²	83.5	32%	0.315	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-30.3	176.1	168.4	0	0	0	0	111.9	F654 I656 T661 L662	F654-V658 HydrophobicContact CD1-CG2 4.13Å; F654-V658 HydrophobicContact CE1-CG2 3.82Å; F654-V658 HydrophobicContact CE2-CG2 4.28Å; F654-V658 HydrophobicContact CG-CG2 4.49Å; F654-V658 HydrophobicContact CZ-CG2 3.9Å; F654-V658 WeakPolarHBondContact O-CB 3.45Å; F654-V658 WeakPolarHBondContact O-CG2 3.04Å; F654-V658 PolarHBondContact O-N 2.88Å; I656-V658 VanDerWaalsContact C-N 3.32Å; I656-V658 PolarHBondContact O-N 2.82Å; V658-T661 WeakPolarHBondContact CA-OG1 3.27Å; V658-T661 PolarHBondContact O-OG1 3.39Å; V658-T661 VanDerWaalsContact O-OG1 3.08Å; V658-L662 HydrophobicContact CG1-CD1 3.97Å; V658-L662 VanDerWaalsContact O-CB 3.28Å; V658-L662 WeakPolarHBondContact O-CB 3.24Å; V658-L662 VanDerWaalsContact O-CD1 3.31Å; V658-L662 WeakPolarHBondContact O-CD1 3.38Å; V658-L662 WeakPolarHBondContact O-CG 3.43Å; V658-L662 PolarHBondContact O-N 3.2Å
659	L	69.9	Low	65.5	Low	122 Å²	122	84.3 Å²	84.3	64%	0.639	43%	0.426	S	S	*	.	H	α-helix	trans	-78.5	-42.3	175.6	-69.3	168	0	0	0	112.6	S655 I656 F657 L662 W663	S655-L659 WeakPolarHBondContact O-CG 3.05Å; S655-L659 PolarHBondContact O-N 2.9Å; I656-L659 CarbonylContact O-C 3.59Å; I656-L659 WeakPolarHBondContact O-CA 3.44Å; I656-L659 WeakPolarHBondContact O-CB 3.49Å; I656-L659 PolarHBondContact O-N 2.79Å; F657-L659 VanDerWaalsContact C-N 3.27Å; F657-L659 PolarHBondContact O-N 3.04Å; L659-L662 PolarHBondContact O-N 2.92Å; L659-W663 WeakPolarHBondContact O-CB 3.07Å; L659-W663 PolarHBondContact O-N 3.13Å
660	T	67.1	Low	65.2	Low	39 Å²	39	88.7 Å²	88.7	24%	0.239	43%	0.432	C	S	.	.	H	α-helix	trans	-66.7	-44.8	177	51.3	0	0	0	0	111.5	I656 F657 L662 W663 R664 E996	I656-T660 HydrophobicContact CG2-CG2 4.37Å; I656-T660 PolarHBondContact O-N 2.86Å; I656-T660 PolarHBondContact O-OG1 2.84Å; F657-T660 WeakPolarHBondContact CA-OG1 3.48Å; F657-T660 PolarHBondContact O-N 2.04Å; F657-T660 PolarHBondContact O-OG1 3.37Å; F657-T660 VanDerWaalsContact O-OG1 3.05Å; T660-L662 PolarHBondContact O-N 2.79Å; T660-W663 PolarHBondContact O-N 3.47Å; T660-R664 WeakPolarHBondContact O-CB 3.49Å; T660-R664 WeakPolarHBondContact O-CG 3.41Å; T660-R664 PolarHBondContact O-N 2.89Å; T660-E996 WeakPolarHBondContact CB-OE1 3.31Å; T660-E996 VanDerWaalsContact CG2-OE1 3.31Å; T660-E996 WeakPolarHBondContact CG2-OE1 3.44Å; T660-E996 PolarHBondContact OG1-OE1 3.27Å
661	T	63.2	Low	64.7	Low	11 Å²	11	91.3 Å²	91.3	7%	0.067	44%	0.435	C	S	.	.	H	α-helix	trans	-58.8	-45.3	174.2	53.2	0	0	0	0	112.4	F657 V658 R665 L994 D995	F657-T661 HydrophobicContact CD1-CG2 3.89Å; F657-T661 HydrophobicContact CE1-CG2 3.79Å; F657-T661 HydrophobicContact CG-CG2 4.37Å; F657-T661 HydrophobicContact CZ-CG2 4.21Å; F657-T661 VanDerWaalsContact O-CB 3.26Å; F657-T661 WeakPolarHBondContact O-CB 3.49Å; F657-T661 WeakPolarHBondContact O-CG2 3.4Å; F657-T661 PolarHBondContact O-N 3.14Å; F657-T661 PolarHBondContact O-OG1 3.04Å; V658-T661 WeakPolarHBondContact CA-OG1 3.27Å; V658-T661 PolarHBondContact O-OG1 3.39Å; V658-T661 VanDerWaalsContact O-OG1 3.08Å; T661-R665 VanDerWaalsContact O-CB 3.25Å; T661-R665 WeakPolarHBondContact O-CB 3.34Å; T661-R665 VanDerWaalsContact O-CG 3.29Å; T661-R665 WeakPolarHBondContact O-CG 3.43Å; T661-R665 PolarHBondContact O-N 2.89Å; T661-L994 HydrophobicContact CG2-CB 3.63Å; T661-L994 HydrophobicContact CG2-CD1 3.86Å; T661-L994 HydrophobicContact CG2-CG 4.38Å; T661-D995 WeakPolarHBondContact CA-OD2 3.36Å; T661-D995 HydrophobicContact CG2-CB 3.62Å; T661-D995 WeakPolarHBondContact CG2-OD2 2.91Å
662	L	64.9	Low	63.9	Low	96 Å²	96	90.6 Å²	90.6	50%	0.503	43%	0.432	S	S	.	.	H	α-helix	trans	-67.7	-36.7	177.6	-73.6	174.2	0	0	0	111.8	V658 L659 T660 S666	V658-L662 HydrophobicContact CG1-CD1 3.97Å; V658-L662 VanDerWaalsContact O-CB 3.28Å; V658-L662 WeakPolarHBondContact O-CB 3.24Å; V658-L662 VanDerWaalsContact O-CD1 3.31Å; V658-L662 WeakPolarHBondContact O-CD1 3.38Å; V658-L662 WeakPolarHBondContact O-CG 3.43Å; V658-L662 PolarHBondContact O-N 3.2Å; L659-L662 PolarHBondContact O-N 2.92Å; T660-L662 PolarHBondContact O-N 2.79Å; L662-S666 VanDerWaalsContact O-CB 3.27Å; L662-S666 WeakPolarHBondContact O-CB 3.35Å; L662-S666 PolarHBondContact O-N 2.73Å
663	W	61.8	Low	63.1	Low	170 Å²	170	93.5 Å²	93.5	64%	0.644	44%	0.436	S	S	*	.	H	α-helix	trans	-65.5	-49.1	174.5	-170.8	81.9	0	0	0	111.5	L659 T660 S666 I667	L659-W663 WeakPolarHBondContact O-CB 3.07Å; L659-W663 PolarHBondContact O-N 3.13Å; T660-W663 PolarHBondContact O-N 3.47Å; W663-S666 WeakPolarHBondContact O-CB 3.46Å; W663-S666 PolarHBondContact O-N 2.99Å; W663-S666 VanDerWaalsContact O-N 3.1Å; W663-S666 PolarHBondContact O-OG 2.76Å; W663-I667 HydrophobicContact CD2-CD1 3.77Å; W663-I667 HydrophobicContact CE3-CD1 3.8Å; W663-I667 HydrophobicContact CH2-CD1 3.67Å; W663-I667 HydrophobicContact CZ2-CD1 3.62Å; W663-I667 HydrophobicContact CZ3-CD1 3.75Å; W663-I667 PolarHBondContact O-N 2.73Å
664	R	57.3	Low	62.5	Low	83 Å²	83	90.8 Å²	90.8	31%	0.313	42%	0.417	S	S	.	.	H	α-helix	trans	-56.9	-50.7	174.9	-74.6	170.7	176.6	-144.3	-11.8	111.4	T660 S666 I667 V668 D995 D998	T660-R664 WeakPolarHBondContact O-CB 3.49Å; T660-R664 WeakPolarHBondContact O-CG 3.41Å; T660-R664 PolarHBondContact O-N 2.89Å; R664-S666 VanDerWaalsContact C-N 3.32Å; R664-S666 PolarHBondContact O-N 3.32Å; R664-I667 PolarHBondContact O-N 3.13Å; R664-V668 WeakPolarHBondContact O-CG2 3.4Å; R664-V668 PolarHBondContact O-N 3.25Å; R664-D995 VanDerWaalsContact CD-OD2 3.23Å; R664-D995 WeakPolarHBondContact CD-OD2 2.8Å; R664-D995 IonicContact CZ-OD1 3.79Å; R664-D995 IonicContact NE-OD1 2.82Å; R664-D995 IonicContact NH1-OD1 3.8Å; R664-D995 PolarHBondContact NH1-OD1 2.84Å; R664-D998 IonicContact CZ-OD2 2.75Å; R664-D998 IonicContact NH1-OD2 2.73Å; R664-D998 IonicContact NH2-OD2 3.44Å; R664-D998 PolarHBondContact NH2-OD2 2.01Å
665	R	60.4	Low	61.6	Low	107 Å²	107	87.7 Å²	87.7	40%	0.404	41%	0.405	S	S	.	.	H	α-helix	trans	-56.2	-44	172.7	-79.3	168.1	151	-173.5	-8.9	111.7	T661 I667 V668 I669 D993 L994	T661-R665 VanDerWaalsContact O-CB 3.25Å; T661-R665 WeakPolarHBondContact O-CB 3.34Å; T661-R665 VanDerWaalsContact O-CG 3.29Å; T661-R665 WeakPolarHBondContact O-CG 3.43Å; T661-R665 PolarHBondContact O-N 2.89Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.46Å; R665-V668 PolarHBondContact O-N 3.29Å; R665-I669 HydrophobicContact CB-CD1 4.44Å; R665-I669 VanDerWaalsContact O-CB 3.26Å; R665-I669 WeakPolarHBondContact O-CB 3.32Å; R665-I669 WeakPolarHBondContact O-CD1 3.04Å; R665-I669 WeakPolarHBondContact O-CG1 3.31Å; R665-I669 PolarHBondContact O-N 3.18Å; R665-D993 IonicContact CZ-OD2 3.19Å; R665-D993 IonicContact NE-OD2 2.93Å; R665-D993 PolarHBondContact NE-OD2 3.08Å; R665-D993 VanDerWaalsContact NH2-CB 3.27Å; R665-D993 IonicContact NH2-OD2 2.71Å; R665-D993 PolarHBondContact NH2-OD2 3.01Å; R665-L994 HydrophobicContact CG-CD1 3.94Å
666	S	57.5	Low	61.1	Low	44 Å²	44	92 Å²	92	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-37.4	179.9	84.9	0	0	0	0	112.7	L662 W663 R664 R670	L662-S666 VanDerWaalsContact O-CB 3.27Å; L662-S666 WeakPolarHBondContact O-CB 3.35Å; L662-S666 PolarHBondContact O-N 2.73Å; W663-S666 WeakPolarHBondContact O-CB 3.46Å; W663-S666 PolarHBondContact O-N 2.99Å; W663-S666 VanDerWaalsContact O-N 3.1Å; W663-S666 PolarHBondContact O-OG 2.76Å; R664-S666 VanDerWaalsContact C-N 3.32Å; R664-S666 PolarHBondContact O-N 3.32Å; S666-R670 VanDerWaalsContact O-CB 3.3Å; S666-R670 WeakPolarHBondContact O-CB 3.33Å; S666-R670 VanDerWaalsContact O-CG 3.24Å; S666-R670 WeakPolarHBondContact O-CG 3.34Å; S666-R670 PolarHBondContact O-N 3.44Å
667	I	57.9	Low	60.3	Low	52 Å²	52	94.3 Å²	94.3	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-72	-44.7	177.9	-68.9	172.8	0	0	0	110.9	W663 R664 R665 I669 R670 R671	W663-I667 HydrophobicContact CD2-CD1 3.77Å; W663-I667 HydrophobicContact CE3-CD1 3.8Å; W663-I667 HydrophobicContact CH2-CD1 3.67Å; W663-I667 HydrophobicContact CZ2-CD1 3.62Å; W663-I667 HydrophobicContact CZ3-CD1 3.75Å; W663-I667 PolarHBondContact O-N 2.73Å; R664-I667 PolarHBondContact O-N 3.13Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.46Å; I667-I669 VanDerWaalsContact C-N 3.33Å; I667-I669 PolarHBondContact O-N 3.07Å; I667-R670 PolarHBondContact O-N 3.2Å; I667-R671 WeakPolarHBondContact O-CG 3.37Å; I667-R671 PolarHBondContact O-N 3.42Å
668	V	54.8	Low	59.6	Low	75 Å²	75	94 Å²	94	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-41.7	175.9	174	0	0	0	0	110.9	R664 R665 R671 K672	R664-V668 WeakPolarHBondContact O-CG2 3.4Å; R664-V668 PolarHBondContact O-N 3.25Å; R665-V668 PolarHBondContact O-N 3.29Å; V668-R671 PolarHBondContact O-N 2.89Å; V668-K672 HydrophobicContact CG1-CD 4.21Å; V668-K672 WeakPolarHBondContact O-CB 3.32Å; V668-K672 WeakPolarHBondContact O-CG 2.68Å; V668-K672 PolarHBondContact O-N 3.45Å
669	I	58.5	Low	58.5	Low	74 Å²	74	95.6 Å²	95.6	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-66.5	-42.3	174.9	-71	164	0	0	0	111.1	R665 I667 R671 K672 R673	R665-I669 HydrophobicContact CB-CD1 4.44Å; R665-I669 VanDerWaalsContact O-CB 3.26Å; R665-I669 WeakPolarHBondContact O-CB 3.32Å; R665-I669 WeakPolarHBondContact O-CD1 3.04Å; R665-I669 WeakPolarHBondContact O-CG1 3.31Å; R665-I669 PolarHBondContact O-N 3.18Å; I667-I669 VanDerWaalsContact C-N 3.33Å; I667-I669 PolarHBondContact O-N 3.07Å; I669-R671 PolarHBondContact O-N 3.32Å; I669-K672 PolarHBondContact O-N 3.3Å; I669-R673 HydrophobicContact CG2-CG 4.21Å; I669-R673 VanDerWaalsContact O-CB 3.29Å; I669-R673 WeakPolarHBondContact O-CB 3.09Å; I669-R673 VanDerWaalsContact O-CG 3.3Å; I669-R673 WeakPolarHBondContact O-CG 3.44Å; I669-R673 PolarHBondContact O-N 3.06Å
670	R	56	Low	57.6	Low	182 Å²	182	96.3 Å²	96.3	69%	0.687	42%	0.417	S	S	*	.	H	α-helix	trans	-59.3	-45.8	174.1	-81.2	175.5	-178	-170.3	2.4	111.4	S666 I667 R673 A674	S666-R670 VanDerWaalsContact O-CB 3.3Å; S666-R670 WeakPolarHBondContact O-CB 3.33Å; S666-R670 VanDerWaalsContact O-CG 3.24Å; S666-R670 WeakPolarHBondContact O-CG 3.34Å; S666-R670 PolarHBondContact O-N 3.44Å; I667-R670 PolarHBondContact O-N 3.2Å; R670-R673 PolarHBondContact O-N 3.23Å; R670-A674 VanDerWaalsContact O-CB 3.29Å; R670-A674 WeakPolarHBondContact O-CB 3.26Å; R670-A674 PolarHBondContact O-N 2.77Å
671	R	55.1	Low	56.7	Low	150 Å²	150	97.6 Å²	97.6	57%	0.566	43%	0.428	S	S	*	.	H	α-helix	trans	-61.9	-48.7	175	-70.9	-179.9	-179.1	172.5	3	111.9	I667 V668 I669 R673 A674 M675	I667-R671 WeakPolarHBondContact O-CG 3.37Å; I667-R671 PolarHBondContact O-N 3.42Å; V668-R671 PolarHBondContact O-N 2.89Å; I669-R671 PolarHBondContact O-N 3.32Å; R671-R673 VanDerWaalsContact C-N 3.27Å; R671-R673 PolarHBondContact O-N 2.67Å; R671-A674 PolarHBondContact O-N 3.1Å; R671-M675 PolarHBondContact O-N 3Å
672	K	57.3	Low	55.9	Low	140 Å²	140	99.4 Å²	99.4	61%	0.609	45%	0.449	S	S	*	.	H	α-helix	trans	-68	-17.9	177.8	-73.1	-176.7	176.9	179.3	0	114.5	V668 I669	V668-K672 HydrophobicContact CG1-CD 4.21Å; V668-K672 WeakPolarHBondContact O-CB 3.32Å; V668-K672 WeakPolarHBondContact O-CG 2.68Å; V668-K672 PolarHBondContact O-N 3.45Å; I669-K672 PolarHBondContact O-N 3.3Å
673	R	55	Low	54.7	Low	169 Å²	169	104 Å²	104	64%	0.638	47%	0.467	S	S	*	.	H	α-helix	trans	-95.3	-25.2	171.5	-71.7	-179.1	-176.8	169.6	3.5	113.4	I669 R670 R671 R677	I669-R673 HydrophobicContact CG2-CG 4.21Å; I669-R673 VanDerWaalsContact O-CB 3.29Å; I669-R673 WeakPolarHBondContact O-CB 3.09Å; I669-R673 VanDerWaalsContact O-CG 3.3Å; I669-R673 WeakPolarHBondContact O-CG 3.44Å; I669-R673 PolarHBondContact O-N 3.06Å; R670-R673 PolarHBondContact O-N 3.23Å; R671-R673 VanDerWaalsContact C-N 3.27Å; R671-R673 PolarHBondContact O-N 2.67Å; R673-R677 WeakPolarHBondContact O-CG 3.5Å; R673-R677 PolarHBondContact O-N 3.13Å; R673-R677 PolarHBondContact O-NE 3.49Å
674	A	54	Low	53.4	Low	1 Å²	1	100 Å²	100	1%	0.008	47%	0.465	C	S	.	.	H	α-helix	trans	-71.7	-52	171.7	0	0	0	0	0	110.3	R670 R671 R676 R677 Y678 V730	R670-A674 VanDerWaalsContact O-CB 3.29Å; R670-A674 WeakPolarHBondContact O-CB 3.26Å; R670-A674 PolarHBondContact O-N 2.77Å; R671-A674 PolarHBondContact O-N 3.1Å; A674-R676 PolarHBondContact O-N 2.89Å; A674-R677 PolarHBondContact O-N 3.08Å; A674-Y678 HydrophobicContact CB-CD2 4.46Å; A674-Y678 HydrophobicContact CB-CE2 4.33Å; A674-Y678 WeakPolarHBondContact O-CD2 3.06Å; A674-Y678 PolarHBondContact O-N 2.98Å; A674-V730 HydrophobicContact CB-CG1 4.2Å
675	M	53.4	Low	52.5	Low	64 Å²	64	105.2 Å²	105.2	32%	0.315	49%	0.491	S	S	.	.	H	α-helix	trans	-59	-34.3	-179.6	-165.8	169.9	-175.1	0	0	112.5	R671 M679 L770	R671-M675 PolarHBondContact O-N 3Å; M675-M679 HydrophobicContact CG-SD 4.08Å; M675-M679 WeakPolarHBondContact O-CG 3.41Å; M675-M679 PolarHBondContact O-N 2.62Å; M675-M679 VanDerWaalsContact O-SD 3.42Å; M675-L770 HydrophobicContact CE-CD2 4.37Å
676	R	58.6	Low	51.5	Low	153 Å²	153	108.3 Å²	108.3	58%	0.577	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-51.3	174.9	-136.3	179	-59.3	-142.4	-0.8	112.7	A674 Y678 M679 E680	A674-R676 PolarHBondContact O-N 2.89Å; R676-Y678 VanDerWaalsContact C-N 3.26Å; R676-Y678 PolarHBondContact O-N 2.94Å; R676-M679 WeakPolarHBondContact O-CA 3.36Å; R676-M679 WeakPolarHBondContact O-CB 3.47Å; R676-M679 PolarHBondContact O-N 3.08Å; R676-E680 WeakPolarHBondContact O-CG 3.05Å; R676-E680 PolarHBondContact O-N 3.14Å
677	R	59.7	Low	50.9	Low	141 Å²	141	111.1 Å²	111.1	53%	0.532	53%	0.527	S	S	.	.	H	α-helix	trans	-55.4	-40.1	176.5	-75.3	179.2	-66.2	149.6	6.1	112.5	R673 A674 M679 E680 S681	R673-R677 WeakPolarHBondContact O-CG 3.5Å; R673-R677 PolarHBondContact O-N 3.13Å; R673-R677 PolarHBondContact O-NE 3.49Å; A674-R677 PolarHBondContact O-N 3.08Å; R677-M679 VanDerWaalsContact C-N 3.33Å; R677-M679 PolarHBondContact O-N 2.73Å; R677-E680 PolarHBondContact O-N 3.31Å; R677-S681 WeakPolarHBondContact O-CB 3.3Å; R677-S681 PolarHBondContact O-N 2.99Å; R677-S681 PolarHBondContact O-OG 3.35Å
678	Y	55.7	Low	49.9	Very low	50 Å²	50	116 Å²	116	20%	0.196	55%	0.553	C	S	.	*	H	α-helix	trans	-76.3	-14.3	176.6	-68.1	-58	0	0	0	115.1	A674 R676 W723 P725 D728	A674-Y678 HydrophobicContact CB-CD2 4.46Å; A674-Y678 HydrophobicContact CB-CE2 4.33Å; A674-Y678 WeakPolarHBondContact O-CD2 3.06Å; A674-Y678 PolarHBondContact O-N 2.98Å; R676-Y678 VanDerWaalsContact C-N 3.26Å; R676-Y678 PolarHBondContact O-N 2.94Å; Y678-W723 HydrophobicContact CG-CH2 4.33Å; Y678-P725 HydrophobicContact CD2-CG 4.12Å; Y678-P725 HydrophobicContact CE1-CB 3.86Å; Y678-P725 HydrophobicContact CE1-CG 4.2Å; Y678-P725 HydrophobicContact CE2-CB 4.18Å; Y678-P725 HydrophobicContact CE2-CG 3.66Å; Y678-D728 WeakPolarHBondContact OH-CB 3.1Å; Y678-D728 PolarHBondContact OH-OD2 3.17Å
679	M	51.2	Low	49.1	Very low	84 Å²	84	121.1 Å²	121.1	41%	0.414	57%	0.572	S	S	.	*	H	α-helix	trans	-87.8	-16.6	169.5	-71	165.4	70	0	0	112.2	M675 R676 R677	M675-M679 HydrophobicContact CG-SD 4.08Å; M675-M679 WeakPolarHBondContact O-CG 3.41Å; M675-M679 PolarHBondContact O-N 2.62Å; M675-M679 VanDerWaalsContact O-SD 3.42Å; R676-M679 WeakPolarHBondContact O-CA 3.36Å; R676-M679 WeakPolarHBondContact O-CB 3.47Å; R676-M679 PolarHBondContact O-N 3.08Å; R677-M679 VanDerWaalsContact C-N 3.33Å; R677-M679 PolarHBondContact O-N 2.73Å
680	E	50.7	Low	48.5	Very low	137 Å²	137	126.6 Å²	126.6	64%	0.64	60%	0.596	S	S	*	*	H	α-helix	trans	-93.3	-29.5	175.1	-69	153	-175.5	0	0	111.5	R676 R677 G682	R676-E680 WeakPolarHBondContact O-CG 3.05Å; R676-E680 PolarHBondContact O-N 3.14Å; R677-E680 PolarHBondContact O-N 3.31Å; E680-G682 PolarHBondContact O-N 2.79Å
681	S	47.2	Very low	47.6	Very low	66 Å²	66	126.9 Å²	126.9	46%	0.462	60%	0.602	S	S	.	*			trans	-90.7	45.6	-177.6	78.1	0	0	0	0	114.6	R677	R677-S681 WeakPolarHBondContact O-CB 3.3Å; R677-S681 PolarHBondContact O-N 2.99Å; R677-S681 PolarHBondContact O-OG 3.35Å
682	G	46.4	Very low	47.2	Very low	49 Å²	49	129.4 Å²	129.4	51%	0.505	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-85	128.4	171.1	0	0	0	0	0	110.9	E680 S684	E680-G682 PolarHBondContact O-N 2.79Å; G682-S684 PolarHBondContact O-N 3.32Å
683	E	40.2	Very low	46.7	Very low	192 Å²	192	129.8 Å²	129.8	90%	0.897	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-63.9	130.4	173.8	-66.2	179.2	138.7	0	0	110.1
684	S	35.5	Very low	46.3	Very low	86 Å²	86	124.2 Å²	124.2	60%	0.601	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-89.2	152.5	-175.7	51.7	0	0	0	0	112.6	G682	G682-S684 PolarHBondContact O-N 3.32Å
685	F	37.7	Very low	46.4	Very low	194 Å²	194	128.9 Å²	128.9	85%	0.851	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-104	134	154.1	-76.8	-90.5	0	0	0	108.4
686	E	38.8	Very low	47	Very low	171 Å²	171	127.3 Å²	127.3	80%	0.799	63%	0.625	S	S	*	*			trans	-135.2	162.4	175.8	-94.1	-165.4	168.4	0	0	110.3
687	P	46	Very low	47.8	Very low	104 Å²	104	123.9 Å²	123.9	68%	0.675	61%	0.613	S	S	*	*			cis	-112.5	168.9	-17.2	27.6	-7.7	0	0	0	110.3
688	L	36.4	Very low	48.6	Very low	154 Å²	154	121.9 Å²	121.9	81%	0.806	61%	0.611	S	S	*	*	S	Bend		-160.2	161.4	63	-86.1	158.9	0	0	0	113.1
689	E	37.3	Very low	49.8	Very low	182 Å²	182	119.7 Å²	119.7	85%	0.85	60%	0.603	S	S	*	*			trans	69.1	144.6	172.3	-61.3	-165	163.8	0	0	119.2
690	E	45.8	Very low	51.1	Low	189 Å²	189	120.5 Å²	120.5	88%	0.883	60%	0.604	S	S	*	*			trans	-83	121.2	-162.2	-62.5	176.4	104.8	0	0	114.2
691	K	37	Very low	52.3	Low	189 Å²	189	118.7 Å²	118.7	82%	0.822	60%	0.604	S	S	*	*	S	Bend	trans	-174.2	157.8	130.7	-100.8	147.8	-170.2	165.6	0	111	K693	K691-K693 PolarHBondContact O-N 3.18Å
692	E	48.2	Very low	53.7	Low	202 Å²	202	120 Å²	120	94%	0.944	61%	0.614	S	S	*	*			trans	-53	110	-175.8	-66.1	179.2	102.9	0	0	112.3
693	K	44.9	Very low	55.4	Low	148 Å²	148	118 Å²	118	64%	0.643	59%	0.591	S	S	*	*			trans	-107.4	114.5	171.7	-76.5	171.7	-176.9	163.3	0	109.7	K691 H695	K691-K693 PolarHBondContact O-N 3.18Å; K693-H695 PolarHBondContact O-CE1 3.14Å; K693-H695 PolarHBondContact O-N 3.27Å; K693-H695 PolarHBondContact O-ND1 2.78Å
694	V	48.6	Very low	57.5	Low	53 Å²	53	109.5 Å²	109.5	32%	0.321	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-78.1	116.7	170.1	173.6	0	0	0	0	108.2
695	H	55.8	Low	59.9	Low	99 Å²	99	112.3 Å²	112.3	46%	0.458	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-90.6	143.8	-176.2	-66.9	74	0	0	0	111.5	K693	K693-H695 PolarHBondContact O-CE1 3.14Å; K693-H695 PolarHBondContact O-N 3.27Å; K693-H695 PolarHBondContact O-ND1 2.78Å
696	A	64.8	Low	62.3	Low	31 Å²	31	106.8 Å²	106.8	26%	0.256	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-99.1	140	170.7	0	0	0	0	0	110.3	G759 T769 F772	A696-G759 VanDerWaalsContact CB-CA 3.49Å; A696-T769 HydrophobicContact CB-CG2 4.46Å; A696-F772 HydrophobicContact CB-CE2 4.16Å
697	R	75.2	Confident	64.6	Low	81 Å²	81	103.3 Å²	103.3	31%	0.306	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	146.2	-171.2	-178.3	168.4	175.4	120.8	-4.5	112.2	F699 E703 L770 G771 F772	R697-F699 HydrophobicContact CB-CE1 4.39Å; R697-F699 HydrophobicContact CB-CE2 4.43Å; R697-F699 HydrophobicContact CB-CZ 4.19Å; R697-F699 HydrophobicContact CG-CD1 4.22Å; R697-F699 HydrophobicContact CG-CE1 4.06Å; R697-F699 HydrophobicContact CG-CZ 4.37Å; R697-E703 IonicContact CZ-OE1 2.66Å; R697-E703 IonicContact NE-OE1 3.22Å; R697-E703 IonicContact NH2-OE1 3.85Å; R697-E703 PolarHBondContact NH2-OE1 3.34Å; R697-L770 PolarHBondContact N-O 3.32Å; R697-G771 CarbonylContact O-C 3.54Å; R697-G771 WeakPolarHBondContact O-CA 3.31Å; R697-F772 PolarHBondContact O-N 2.65Å
698	I	76.7	Confident	66.5	Low	99 Å²	99	105 Å²	105	51%	0.508	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120	160.7	-55.6	177.2	0	0	0	107.3	V751 F772 P774	I698-V751 HydrophobicContact CD1-CG2 3.68Å; I698-V751 HydrophobicContact CG1-CG2 4.1Å; I698-F772 CarbonylContact C-O 3.58Å; I698-F772 WeakPolarHBondContact CA-O 3.05Å; I698-P774 HydrophobicContact CG2-CG 3.83Å
699	F	80.6	Confident	68.9	Low	4 Å²	4	101.7 Å²	101.7	2%	0.018	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-94	144	177.6	-69.2	-68.6	0	0	0	111.5	R697 E703 L704 W723 L770 G771 F772 C773 V781	R697-F699 HydrophobicContact CB-CE1 4.39Å; R697-F699 HydrophobicContact CB-CE2 4.43Å; R697-F699 HydrophobicContact CB-CZ 4.19Å; R697-F699 HydrophobicContact CG-CD1 4.22Å; R697-F699 HydrophobicContact CG-CE1 4.06Å; R697-F699 HydrophobicContact CG-CZ 4.37Å; F699-E703 WeakPolarHBondContact CA-OE2 3.06Å; F699-L704 HydrophobicContact CB-CD1 3.61Å; F699-L704 HydrophobicContact CB-CG 4.06Å; F699-L704 HydrophobicContact CD1-CD2 4.26Å; F699-L704 HydrophobicContact CD2-CD1 4.28Å; F699-L704 HydrophobicContact CG-CD1 3.98Å; F699-L704 HydrophobicContact CG-CD2 4.24Å; F699-L704 HydrophobicContact CG-CG 4.24Å; F699-W723 AromaticContact CE1-CD1 3.94Å; F699-W723 AromaticContact CE1-CD2 3.84Å; F699-W723 HydrophobicContact CE1-CD2 3.84Å; F699-W723 AromaticContact CE1-CE2 3.54Å; F699-W723 HydrophobicContact CE1-CE3 4.41Å; F699-W723 HydrophobicContact CE1-CG 4.13Å; F699-W723 HydrophobicContact CE1-CH2 4.41Å; F699-W723 AromaticContact CE1-CZ2 3.87Å; F699-W723 HydrophobicContact CE1-CZ2 3.87Å; F699-W723 AromaticContact CE1-NE1 3.61Å; F699-W723 HydrophobicContact CZ-CD2 4.36Å; F699-L770 HydrophobicContact CE2-CB 4.4Å; F699-L770 HydrophobicContact CZ-CB 4.36Å; F699-G771 VanDerWaalsContact CE2-CA 3.5Å; F699-F772 PolarHBondContact N-O 3.32Å; F699-C773 HydrophobicContact CB-CB 4.19Å; F699-C773 PolarHBondContact O-SG 3.29Å; F699-C773 VanDerWaalsContact O-SG 3.4Å; F699-V781 HydrophobicContact CD2-CB 4.03Å; F699-V781 HydrophobicContact CD2-CG2 3.69Å; F699-V781 HydrophobicContact CE2-CB 3.68Å; F699-V781 HydrophobicContact CE2-CG1 3.96Å; F699-V781 HydrophobicContact CE2-CG2 3.89Å; F699-V781 HydrophobicContact CZ-CG1 4.42Å
700	K	79.4	Confident	71	Confident	101 Å²	101	97.6 Å²	97.6	44%	0.439	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-85.3	147.7	165.9	-53.9	176	-164.7	169.8	0	109.6	S702 E703 E726	K700-S702 WeakPolarHBondContact CB-OG 3.42Å; K700-S702 PolarHBondContact O-N 3.17Å; K700-E703 HydrophobicContact CB-CG 4.24Å; K700-E703 PolarHBondContact N-OE2 3.43Å; K700-E703 PolarHBondContact O-N 2.88Å; K700-E726 WeakPolarHBondContact CD-OE1 3.29Å; K700-E726 IonicContact NZ-OE1 2.63Å; K700-E726 PolarHBondContact NZ-OE1 3.31Å; K700-E726 IonicContact NZ-OE2 2.63Å; K700-E726 PolarHBondContact NZ-OE2 2.9Å
701	P	76.2	Confident	72.4	Confident	98 Å²	98	90.4 Å²	90.4	64%	0.636	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-56.1	-25.9	174.6	-26.9	34.7	0	0	0	114.4
702	S	77.3	Confident	74.2	Confident	95 Å²	95	87.7 Å²	87.7	66%	0.664	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-69.3	-26	175.6	46.4	0	0	0	0	114.4	K700	K700-S702 WeakPolarHBondContact CB-OG 3.42Å; K700-S702 PolarHBondContact O-N 3.17Å
703	E	80.4	Confident	75.1	Confident	5 Å²	5	79.6 Å²	79.6	2%	0.023	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-81.4	-15.9	-179.1	-63.9	-179.9	104.7	0	0	112.9	R697 F699 K700 W723 I724 E726	R697-E703 IonicContact CZ-OE1 2.66Å; R697-E703 IonicContact NE-OE1 3.22Å; R697-E703 IonicContact NH2-OE1 3.85Å; R697-E703 PolarHBondContact NH2-OE1 3.34Å; F699-E703 WeakPolarHBondContact CA-OE2 3.06Å; K700-E703 HydrophobicContact CB-CG 4.24Å; K700-E703 PolarHBondContact N-OE2 3.43Å; K700-E703 PolarHBondContact O-N 2.88Å; E703-W723 WeakPolarHBondContact O-CA 3.44Å; E703-I724 PolarHBondContact O-N 2.88Å; E703-E726 HydrophobicContact CG-CG 4.23Å
704	L	85.3	Confident	76	Confident	15 Å²	15	74.3 Å²	74.3	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	103.2	-166	-67.4	179.3	0	0	0	112.5	F699 W723 I736 C773 V781	F699-L704 HydrophobicContact CB-CD1 3.61Å; F699-L704 HydrophobicContact CB-CG 4.06Å; F699-L704 HydrophobicContact CD1-CD2 4.26Å; F699-L704 HydrophobicContact CD2-CD1 4.28Å; F699-L704 HydrophobicContact CG-CD1 3.98Å; F699-L704 HydrophobicContact CG-CD2 4.24Å; F699-L704 HydrophobicContact CG-CG 4.24Å; L704-W723 HydrophobicContact CD2-CB 4.12Å; L704-W723 HydrophobicContact CD2-CG 4.47Å; L704-I736 HydrophobicContact CB-CD1 4.1Å; L704-I736 HydrophobicContact CD2-CD1 4.41Å; L704-C773 HydrophobicContact CD1-CB 3.85Å; L704-V781 HydrophobicContact CD1-CG2 3.67Å; L704-V781 HydrophobicContact CD2-CG1 4.33Å; L704-V781 HydrophobicContact CD2-CG2 4.15Å
705	R	85.9	Confident	76.9	Confident	145 Å²	145	72.5 Å²	72.5	55%	0.547	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.2	178.6	-162.9	175.4	72.4	160.6	9.6	111.8	G721 V722	R705-G721 CarbonylContact O-C 3.54Å; R705-G721 WeakPolarHBondContact O-CA 3.3Å; R705-V722 PolarHBondContact N-O 3.31Å; R705-V722 PolarHBondContact O-N 2.82Å
706	K	87.7	Confident	77.8	Confident	77 Å²	77	67.9 Å²	67.9	34%	0.335	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	143.9	169.8	-59.5	176.6	-168.8	177.4	0	109.8	H719 I736 T738 Q779	K706-H719 HydrophobicContact CB-CB 4.27Å; K706-H719 HydrophobicContact CD-CB 4.45Å; K706-H719 HydrophobicContact CG-CB 4.23Å; K706-I736 HydrophobicContact CG-CD1 3.99Å; K706-T738 PolarHBondContact NZ-OG1 3.44Å; K706-Q779 VanDerWaalsContact NZ-CD 3.3Å
707	I	86.8	Confident	78.8	Confident	98 Å²	98	68 Å²	68	50%	0.503	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-59.1	-179.6	-60.1	171.3	0	0	0	111.2	K720 V722	I707-K720 WeakPolarHBondContact CA-O 3.08Å; I707-K720 WeakPolarHBondContact CB-O 3.48Å; I707-K720 PolarHBondContact N-O 3.08Å; I707-V722 HydrophobicContact CD1-CG2 3.73Å
708	K	86.5	Confident	79.3	Confident	139 Å²	139	65.5 Å²	65.5	60%	0.604	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.1	-174.9	-170.3	-173.5	174.3	178.5	0	110.1	H719 K720	K708-H719 CarbonylContact O-C 3.52Å; K708-H719 WeakPolarHBondContact O-CA 3.36Å; K708-K720 PolarHBondContact N-O 3.08Å; K708-K720 PolarHBondContact O-N 3.43Å
709	P	86.1	Confident	79.9	Confident	85 Å²	85	62.6 Å²	62.6	55%	0.552	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.6	167.5	26.8	-34.6	0	0	0	110.6
710	L	81.7	Confident	80.3	Confident	97 Å²	97	66.9 Å²	66.9	51%	0.508	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-34.5	173.5	-69.5	173.7	0	0	0	111.5	V718 K720 L784	L710-V718 HydrophobicContact CB-CG1 4.38Å; L710-V718 HydrophobicContact CD1-CG1 4.33Å; L710-V718 PolarHBondContact N-O 3.48Å; L710-K720 HydrophobicContact CD1-CB 3.92Å; L710-K720 HydrophobicContact CD2-CB 4.07Å; L710-K720 HydrophobicContact CG-CB 3.93Å; L710-L784 HydrophobicContact CD1-CD1 3.79Å
711	G	75.2	Confident	80.6	Confident	38 Å²	38	62.1 Å²	62.1	39%	0.392	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	164.5	179.1	0	0	0	0	0	113.2	V718	G711-V718 PolarHBondContact N-O 2.85Å; G711-V718 PolarHBondContact O-N 3.34Å
712	N	74.6	Confident	81.1	Confident	132 Å²	132	58.3 Å²	58.3	71%	0.706	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.8	175.4	-171.1	15.1	0	0	0	108.8	T717	N712-T717 HydrophobicContact CB-CG2 4.07Å; N712-T717 VanDerWaalsContact OD1-CG2 3.25Å; N712-T717 WeakPolarHBondContact OD1-CG2 3.25Å
713	G	67.1	Low	81.5	Confident	32 Å²	32	54.4 Å²	54.4	33%	0.33	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	170.9	-178.8	0	0	0	0	0	112.3	F715 G716	G713-F715 PolarHBondContact O-N 2.9Å; G713-F715 VanDerWaalsContact O-N 3.08Å; G713-G716 PolarHBondContact N-O 3.2Å; G713-G716 PolarHBondContact O-N 2.96Å
714	A	63.8	Low	81.5	Confident	36 Å²	36	56.9 Å²	56.9	30%	0.298	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.6	-178.5	0	0	0	0	0	114.3	I870	A714-I870 HydrophobicContact CB-CD1 3.78Å; A714-I870 HydrophobicContact CB-CG1 4.09Å
715	F	67.4	Low	80.7	Confident	15 Å²	15	56.3 Å²	56.3	7%	0.066	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2	178.5	-55.9	-50.2	0	0	0	114.6	G713 N829 V850 A851 L854 F862 I870	G713-F715 PolarHBondContact O-N 2.9Å; G713-F715 VanDerWaalsContact O-N 3.08Å; F715-N829 HydrophobicContact CE2-CB 3.9Å; F715-N829 WeakPolarHBondContact CE2-ND2 3.27Å; F715-N829 HydrophobicContact CZ-CB 4.45Å; F715-V850 HydrophobicContact CB-CG1 3.93Å; F715-V850 HydrophobicContact CD2-CG1 4.03Å; F715-V850 HydrophobicContact CG-CG1 4.11Å; F715-A851 HydrophobicContact CZ-CB 4.15Å; F715-L854 HydrophobicContact CB-CD1 4.33Å; F715-L854 HydrophobicContact CD1-CD1 3.85Å; F715-L854 HydrophobicContact CG-CD1 4.37Å; F715-F862 HydrophobicContact CE1-CE1 4.29Å; F715-I870 HydrophobicContact CE1-CD1 4.42Å; F715-I870 HydrophobicContact CE2-CD1 4.45Å; F715-I870 HydrophobicContact CZ-CD1 3.99Å
716	G	76.2	Confident	79.6	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.9	-174	176.2	0	0	0	0	0	116.4	G713 T738	G713-G716 PolarHBondContact N-O 3.2Å; G713-G716 PolarHBondContact O-N 2.96Å; G716-T738 CarbonylContact C-O 3.46Å; G716-T738 WeakPolarHBondContact CA-O 3.41Å
717	T	84.3	Confident	78.3	Confident	33 Å²	33	55.5 Å²	55.5	20%	0.202	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.2	-171.9	46	0	0	0	0	113.1	N712 R737 T738 H740	N712-T717 HydrophobicContact CB-CG2 4.07Å; N712-T717 VanDerWaalsContact OD1-CG2 3.25Å; N712-T717 WeakPolarHBondContact OD1-CG2 3.25Å; T717-R737 WeakPolarHBondContact O-CA 3.37Å; T717-T738 PolarHBondContact N-O 3.38Å; T717-T738 PolarHBondContact O-N 3.22Å; T717-H740 PolarHBondContact OG1-NE2 2.53Å
718	V	87.2	Confident	77	Confident	28 Å²	28	53.3 Å²	53.3	17%	0.17	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.4	177.6	-173.6	0	0	0	0	109.9	L710 G711 A735 R737	L710-V718 HydrophobicContact CB-CG1 4.38Å; L710-V718 HydrophobicContact CD1-CG1 4.33Å; L710-V718 PolarHBondContact N-O 3.48Å; G711-V718 PolarHBondContact N-O 2.85Å; G711-V718 PolarHBondContact O-N 3.34Å; V718-A735 HydrophobicContact CG1-CB 4.37Å; V718-R737 HydrophobicContact CG2-CB 4.15Å; V718-R737 HydrophobicContact CG2-CG 3.94Å
719	H	88.3	Confident	75.7	Confident	39 Å²	39	52.7 Å²	52.7	18%	0.181	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.6	176.9	-62.7	76.6	0	0	0	111.1	K706 K708 I736	K706-H719 HydrophobicContact CB-CB 4.27Å; K706-H719 HydrophobicContact CD-CB 4.45Å; K706-H719 HydrophobicContact CG-CB 4.23Å; K708-H719 CarbonylContact O-C 3.52Å; K708-H719 WeakPolarHBondContact O-CA 3.36Å; H719-I736 PolarHBondContact N-O 2.86Å; H719-I736 PolarHBondContact O-N 2.79Å
720	K	88.2	Confident	74.8	Confident	93 Å²	93	50 Å²	50	40%	0.404	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.8	160	-176.8	167.7	180	172	0	107.4	I707 K708 L710 L784	I707-K720 WeakPolarHBondContact CA-O 3.08Å; I707-K720 WeakPolarHBondContact CB-O 3.48Å; I707-K720 PolarHBondContact N-O 3.08Å; K708-K720 PolarHBondContact N-O 3.08Å; K708-K720 PolarHBondContact O-N 3.43Å; L710-K720 HydrophobicContact CD1-CB 3.92Å; L710-K720 HydrophobicContact CD2-CB 4.07Å; L710-K720 HydrophobicContact CG-CB 3.93Å; K720-L784 HydrophobicContact CD-CD2 3.94Å; K720-L784 HydrophobicContact CG-CD1 4.4Å; K720-L784 HydrophobicContact CG-CD2 3.94Å
721	G	87.4	Confident	74.5	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	179.6	179.9	0	0	0	0	0	112.9	R705 V734	R705-G721 CarbonylContact O-C 3.54Å; R705-G721 WeakPolarHBondContact O-CA 3.3Å; G721-V734 PolarHBondContact N-O 3.31Å; G721-V734 PolarHBondContact O-N 3.01Å
722	V	86.6	Confident	74.6	Confident	19 Å²	19	50.2 Å²	50.2	12%	0.115	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.4	172.6	168.7	0	0	0	0	108.4	R705 I707 I724 K731 L732	R705-V722 PolarHBondContact N-O 3.31Å; R705-V722 PolarHBondContact O-N 2.82Å; I707-V722 HydrophobicContact CD1-CG2 3.73Å; V722-I724 HydrophobicContact CG1-CD1 4.41Å; V722-I724 HydrophobicContact CG1-CG1 3.77Å; V722-K731 HydrophobicContact CG1-CB 3.62Å; V722-K731 HydrophobicContact CG1-CG 3.92Å; V722-L732 CarbonylContact C-O 3.53Å; V722-L732 VanDerWaalsContact CA-O 3.3Å; V722-L732 WeakPolarHBondContact CA-O 3.1Å
723	W	84.6	Confident	75.1	Confident	13 Å²	13	47.7 Å²	47.7	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	162.8	171.8	33.7	0	0	0	108.9	Y678 F699 E703 L704 P725 L732 V734	Y678-W723 HydrophobicContact CG-CH2 4.33Å; F699-W723 AromaticContact CE1-CD1 3.94Å; F699-W723 AromaticContact CE1-CD2 3.84Å; F699-W723 HydrophobicContact CE1-CD2 3.84Å; F699-W723 AromaticContact CE1-CE2 3.54Å; F699-W723 HydrophobicContact CE1-CE3 4.41Å; F699-W723 HydrophobicContact CE1-CG 4.13Å; F699-W723 HydrophobicContact CE1-CH2 4.41Å; F699-W723 AromaticContact CE1-CZ2 3.87Å; F699-W723 HydrophobicContact CE1-CZ2 3.87Å; F699-W723 AromaticContact CE1-NE1 3.61Å; F699-W723 HydrophobicContact CZ-CD2 4.36Å; E703-W723 WeakPolarHBondContact O-CA 3.44Å; L704-W723 HydrophobicContact CD2-CB 4.12Å; L704-W723 HydrophobicContact CD2-CG 4.47Å; W723-P725 HydrophobicContact CD2-CG 4.47Å; W723-P725 HydrophobicContact CZ2-CB 4.48Å; W723-P725 HydrophobicContact CZ2-CG 4.09Å; W723-L732 HydrophobicContact CB-CB 4.48Å; W723-L732 HydrophobicContact CD2-CD1 4.36Å; W723-L732 HydrophobicContact CE3-CB 4.36Å; W723-L732 HydrophobicContact CE3-CD1 3.6Å; W723-L732 HydrophobicContact CZ3-CD1 3.77Å; W723-L732 PolarHBondContact N-O 3.22Å; W723-L732 PolarHBondContact O-N 3.2Å; W723-V734 HydrophobicContact CB-CG1 4.01Å; W723-V734 HydrophobicContact CB-CG2 4.24Å
724	I	81.4	Confident	76.1	Confident	56 Å²	56	46.3 Å²	46.3	29%	0.287	27%	0.271	S	S	.	.			trans	-121.3	110.2	171.5	-51.7	-177.1	0	0	0	106.7	E703 V722 K731	E703-I724 PolarHBondContact O-N 2.88Å; V722-I724 HydrophobicContact CG1-CD1 4.41Å; V722-I724 HydrophobicContact CG1-CG1 3.77Å; I724-K731 HydrophobicContact CD1-CG 4.29Å; I724-K731 HydrophobicContact CG1-CG 4.25Å
725	P	68.6	Low	77.3	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.026	26%	0.261	C	S	.	.			trans	-64.2	141.3	174.7	-19.5	32	0	0	0	111.1	Y678 W723 G727 D728	Y678-P725 HydrophobicContact CD2-CG 4.12Å; Y678-P725 HydrophobicContact CE1-CB 3.86Å; Y678-P725 HydrophobicContact CE1-CG 4.2Å; Y678-P725 HydrophobicContact CE2-CB 4.18Å; Y678-P725 HydrophobicContact CE2-CG 3.66Å; W723-P725 HydrophobicContact CD2-CG 4.47Å; W723-P725 HydrophobicContact CZ2-CB 4.48Å; W723-P725 HydrophobicContact CZ2-CG 4.09Å; P725-G727 PolarHBondContact O-N 3.28Å; P725-G727 VanDerWaalsContact O-N 3.15Å; P725-D728 PolarHBondContact O-N 3.23Å
726	E	62.7	Low	78.4	Confident	113 Å²	113	44.4 Å²	44.4	53%	0.528	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	120.1	172.4	-69.2	-178.5	159.5	0	0	110.4	K700 E703	K700-E726 WeakPolarHBondContact CD-OE1 3.29Å; K700-E726 IonicContact NZ-OE1 2.63Å; K700-E726 PolarHBondContact NZ-OE1 3.31Å; K700-E726 IonicContact NZ-OE2 2.63Å; K700-E726 PolarHBondContact NZ-OE2 2.9Å; E703-E726 HydrophobicContact CG-CG 4.23Å
727	G	59.3	Low	78.9	Confident	92 Å²	92	45.4 Å²	45.4	95%	0.948	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-3.1	176.5	0	0	0	0	0	117.5	P725	P725-G727 PolarHBondContact O-N 3.28Å; P725-G727 VanDerWaalsContact O-N 3.15Å
728	D	59	Low	79	Confident	51 Å²	51	44.1 Å²	44.1	27%	0.273	25%	0.253	S	S	.	.			trans	-128.6	155.3	176.3	-159.4	-10.3	0	0	0	112.8	Y678 P725	Y678-D728 WeakPolarHBondContact OH-CB 3.1Å; Y678-D728 PolarHBondContact OH-OD2 3.17Å; P725-D728 PolarHBondContact O-N 3.23Å
729	T	59.8	Low	78.7	Confident	126 Å²	126	42.8 Å²	42.8	77%	0.773	25%	0.245	S	C	*	.			trans	-86	-7.2	-177.1	60	0	0	0	0	113.7	K731	T729-K731 PolarHBondContact O-N 3.29Å
730	V	66.4	Low	78	Confident	30 Å²	30	44.9 Å²	44.9	18%	0.182	25%	0.254	C	S	.	.			trans	-78.6	100.9	-173.2	-175.9	0	0	0	0	111.8	A674 L732	A674-V730 HydrophobicContact CB-CG1 4.2Å; V730-L732 HydrophobicContact CG1-CD2 4.08Å; V730-L732 HydrophobicContact CG1-CG 4.38Å; V730-L732 PolarHBondContact O-N 3.2Å
731	K	76.6	Confident	76.9	Confident	128 Å²	128	42.1 Å²	42.1	56%	0.557	24%	0.244	S	C	*	.			trans	-72.3	115.9	172.4	-68.8	167	-175.3	166.4	0	110.9	V722 I724 T729	V722-K731 HydrophobicContact CG1-CB 3.62Å; V722-K731 HydrophobicContact CG1-CG 3.92Å; I724-K731 HydrophobicContact CD1-CG 4.29Å; I724-K731 HydrophobicContact CG1-CG 4.25Å; T729-K731 PolarHBondContact O-N 3.29Å
732	L	78.1	Confident	75.6	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.052	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.5	178.7	-67	175.3	0	0	0	111.3	V722 W723 V730	V722-L732 CarbonylContact C-O 3.53Å; V722-L732 VanDerWaalsContact CA-O 3.3Å; V722-L732 WeakPolarHBondContact CA-O 3.1Å; W723-L732 HydrophobicContact CB-CB 4.48Å; W723-L732 HydrophobicContact CD2-CD1 4.36Å; W723-L732 HydrophobicContact CE3-CB 4.36Å; W723-L732 HydrophobicContact CE3-CD1 3.6Å; W723-L732 HydrophobicContact CZ3-CD1 3.77Å; W723-L732 PolarHBondContact N-O 3.22Å; W723-L732 PolarHBondContact O-N 3.2Å; V730-L732 HydrophobicContact CG1-CD2 4.08Å; V730-L732 HydrophobicContact CG1-CG 4.38Å; V730-L732 PolarHBondContact O-N 3.2Å
733	P	83.6	Confident	74.2	Confident	80 Å²	80	53.2 Å²	53.2	52%	0.519	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.1	179.6	30.9	-33.5	0	0	0	111.5	L784	P733-L784 HydrophobicContact CB-CB 4.44Å; P733-L784 HydrophobicContact CB-CD2 4.24Å
734	V	88.9	Confident	72.9	Confident	2 Å²	2	56 Å²	56	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.1	-176.8	-63.7	0	0	0	0	111.3	G721 W723 I736 L770 V781 T782	G721-V734 PolarHBondContact N-O 3.31Å; G721-V734 PolarHBondContact O-N 3.01Å; W723-V734 HydrophobicContact CB-CG1 4.01Å; W723-V734 HydrophobicContact CB-CG2 4.24Å; V734-I736 HydrophobicContact CG2-CD1 4.19Å; V734-I736 HydrophobicContact CG2-CG1 3.89Å; V734-L770 HydrophobicContact CG1-CD1 3.96Å; V734-V781 HydrophobicContact CB-CG1 3.88Å; V734-V781 HydrophobicContact CG1-CG1 4.13Å; V734-V781 HydrophobicContact CG2-CG1 4.09Å; V734-T782 WeakPolarHBondContact CA-O 3.21Å
735	A	89.4	Confident	71.7	Confident	11 Å²	11	62 Å²	62	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.6	164	0	0	0	0	0	108.8	V718 V781 T782 L784	V718-A735 HydrophobicContact CG1-CB 4.37Å; A735-V781 WeakPolarHBondContact O-CA 3.21Å; A735-T782 PolarHBondContact N-O 2.92Å; A735-T782 PolarHBondContact O-N 3.03Å; A735-L784 HydrophobicContact CB-CD1 4.3Å
736	I	89.1	Confident	71.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.4	-178.8	-53.4	172.3	0	0	0	107.9	L704 K706 H719 V734 Q779	L704-I736 HydrophobicContact CB-CD1 4.1Å; L704-I736 HydrophobicContact CD2-CD1 4.41Å; K706-I736 HydrophobicContact CG-CD1 3.99Å; H719-I736 PolarHBondContact N-O 2.86Å; H719-I736 PolarHBondContact O-N 2.79Å; V734-I736 HydrophobicContact CG2-CD1 4.19Å; V734-I736 HydrophobicContact CG2-CG1 3.89Å; I736-Q779 HydrophobicContact CG2-CB 3.99Å
737	R	87.4	Confident	71.1	Confident	24 Å²	24	66.4 Å²	66.4	9%	0.091	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.8	176.2	-176.4	-178.3	-157.3	115.7	-12.8	109.7	T717 V718 Q779 L780 D847	T717-R737 WeakPolarHBondContact O-CA 3.37Å; V718-R737 HydrophobicContact CG2-CB 4.15Å; V718-R737 HydrophobicContact CG2-CG 3.94Å; R737-Q779 CarbonylContact O-C 3.58Å; R737-Q779 VanDerWaalsContact O-CA 3.26Å; R737-Q779 WeakPolarHBondContact O-CA 3.06Å; R737-L780 HydrophobicContact CB-CB 4.35Å; R737-L780 PolarHBondContact N-O 3.29Å; R737-L780 PolarHBondContact O-N 2.81Å; R737-D847 IonicContact CZ-OD1 3.63Å; R737-D847 IonicContact CZ-OD2 3.16Å; R737-D847 IonicContact NE-OD1 2.94Å; R737-D847 IonicContact NH1-OD1 3.15Å; R737-D847 PolarHBondContact NH1-OD1 2.8Å; R737-D847 IonicContact NH1-OD2 2.66Å; R737-D847 PolarHBondContact NH1-OD2 2.86Å; R737-D847 IonicContact NH2-OD1 3.38Å; R737-D847 IonicContact NH2-OD2 2.78Å; R737-D847 PolarHBondContact NH2-OD2 3.38Å
738	T	87.1	Confident	71.5	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.037	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.4	171.6	-49.5	0	0	0	0	108.4	K706 G716 T717 S777 Q779	K706-T738 PolarHBondContact NZ-OG1 3.44Å; G716-T738 CarbonylContact C-O 3.46Å; G716-T738 WeakPolarHBondContact CA-O 3.41Å; T717-T738 PolarHBondContact N-O 3.38Å; T717-T738 PolarHBondContact O-N 3.22Å; T738-S777 WeakPolarHBondContact CG2-OG 3.37Å; T738-Q779 HydrophobicContact CG2-CG 4.42Å
739	I	80.4	Confident	71.8	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.2	177.8	-64.9	167.9	0	0	0	107.9	L778 L780 V850 L854	I739-L778 HydrophobicContact CB-CB 4.39Å; I739-L778 WeakPolarHBondContact CB-O 3.42Å; I739-L778 HydrophobicContact CD1-CD2 4.02Å; I739-L778 HydrophobicContact CD1-CG 4.27Å; I739-L778 PolarHBondContact N-O 2.98Å; I739-L780 HydrophobicContact CD1-CB 4.39Å; I739-V850 HydrophobicContact CD1-CG1 4.16Å; I739-V850 HydrophobicContact CG1-CG1 4.5Å; I739-L854 HydrophobicContact CG2-CD1 4.05Å; I739-L854 HydrophobicContact CG2-CD2 3.68Å; I739-L854 HydrophobicContact CG2-CG 3.94Å
740	H	73.4	Confident	72.2	Confident	84 Å²	84	69.2 Å²	69.2	39%	0.389	34%	0.336	S	S	.	.			trans	-108.4	109.2	-176.6	-61.1	-50	0	0	0	110.5	T717 R742	T717-H740 PolarHBondContact OG1-NE2 2.53Å; H740-R742 PolarHBondContact O-N 2.78Å
741	D	66.2	Low	72.3	Confident	35 Å²	35	70.3 Å²	70.3	19%	0.187	34%	0.342	C	S	.	.			trans	-71	109.5	168.7	178.2	15.4	0	0	0	109.8	T743 G744 R745 Q746 F748 L854	D741-T743 VanDerWaalsContact C-N 3.26Å; D741-T743 PolarHBondContact O-N 2.75Å; D741-T743 WeakPolarHBondContact OD1-CA 3.21Å; D741-T743 WeakPolarHBondContact OD1-CB 3.29Å; D741-T743 PolarHBondContact OD1-N 2.88Å; D741-T743 PolarHBondContact OD1-OG1 3.45Å; D741-T743 PolarHBondContact OD2-OG1 2.86Å; D741-G744 PolarHBondContact OD1-N 3.47Å; D741-G744 WeakPolarHBondContact OD2-CA 3.49Å; D741-G744 PolarHBondContact OD2-N 2.77Å; D741-G744 VanDerWaalsContact OD2-N 3.09Å; D741-R745 PolarHBondContact OD2-N 2.89Å; D741-Q746 PolarHBondContact OD2-N 3.46Å; D741-F748 HydrophobicContact CB-CE2 3.95Å; D741-F748 HydrophobicContact CB-CZ 4.18Å; D741-L854 HydrophobicContact CB-CD2 4.47Å
742	R	58.8	Low	72.2	Confident	204 Å²	204	66.8 Å²	66.8	77%	0.77	33%	0.332	S	S	*	.	S	Bend	trans	-77	-9.8	175.9	-71.5	-178.8	169.2	-176.3	-2.6	113.9	H740	H740-R742 PolarHBondContact O-N 2.78Å
743	T	58.2	Low	71.9	Confident	48 Å²	48	73.2 Å²	73.2	29%	0.294	37%	0.366	S	S	.	.	S	Bend	trans	-97.5	-20.6	-178.3	72.9	0	0	0	0	113.2	D741 R745 Y855	D741-T743 VanDerWaalsContact C-N 3.26Å; D741-T743 PolarHBondContact O-N 2.75Å; D741-T743 WeakPolarHBondContact OD1-CA 3.21Å; D741-T743 WeakPolarHBondContact OD1-CB 3.29Å; D741-T743 PolarHBondContact OD1-N 2.88Å; D741-T743 PolarHBondContact OD1-OG1 3.45Å; D741-T743 PolarHBondContact OD2-OG1 2.86Å; T743-R745 VanDerWaalsContact C-N 3.3Å; T743-R745 PolarHBondContact O-N 2.04Å; T743-Y855 HydrophobicContact CG2-CE1 4.23Å
744	G	57.3	Low	71.5	Confident	73 Å²	73	72.6 Å²	72.6	75%	0.753	36%	0.356	S	S	*	.	S	Bend	trans	64.1	32.5	-177.6	0	0	0	0	0	113.2	D741	D741-G744 PolarHBondContact OD1-N 3.47Å; D741-G744 WeakPolarHBondContact OD2-CA 3.49Å; D741-G744 PolarHBondContact OD2-N 2.77Å; D741-G744 VanDerWaalsContact OD2-N 3.09Å
745	R	54.7	Low	71	Confident	181 Å²	181	72.7 Å²	72.7	68%	0.683	36%	0.357	S	S	*	.			trans	-115.1	-20.2	-174.1	-67.2	179.2	178.2	-160.3	-4.5	113.7	D741 T743	D741-R745 PolarHBondContact OD2-N 2.89Å; T743-R745 VanDerWaalsContact C-N 3.3Å; T743-R745 PolarHBondContact O-N 2.04Å
746	Q	58.7	Low	70.4	Confident	74 Å²	74	76.3 Å²	76.3	35%	0.346	38%	0.378	S	S	.	.			trans	-104.3	115.5	-174.7	-63.4	-62.2	-4.1	0	0	112.4	D741 F748	D741-Q746 PolarHBondContact OD2-N 3.46Å; Q746-F748 HydrophobicContact CB-CE1 3.97Å; Q746-F748 HydrophobicContact CB-CE2 4.16Å; Q746-F748 HydrophobicContact CB-CZ 3.72Å; Q746-F748 PolarHBondContact O-N 2.72Å
747	N	60.5	Low	69.8	Low	136 Å²	136	78.3 Å²	78.3	73%	0.727	39%	0.394	S	S	*	.			trans	-90.1	95.7	173.5	-83.3	-6.5	0	0	0	110	Y749	N747-Y749 HydrophobicContact CB-CD2 4.16Å; N747-Y749 PolarHBondContact O-N 3.07Å
748	F	68.3	Low	69.4	Low	12 Å²	12	77.3 Å²	77.3	5%	0.053	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	22.7	-178.2	-55.3	-74.2	0	0	0	115.1	D741 Q746 K750 M755 P774 L778 L854	D741-F748 HydrophobicContact CB-CE2 3.95Å; D741-F748 HydrophobicContact CB-CZ 4.18Å; Q746-F748 HydrophobicContact CB-CE1 3.97Å; Q746-F748 HydrophobicContact CB-CE2 4.16Å; Q746-F748 HydrophobicContact CB-CZ 3.72Å; Q746-F748 PolarHBondContact O-N 2.72Å; F748-K750 VanDerWaalsContact C-N 3.25Å; F748-K750 PolarHBondContact O-N 2.84Å; F748-M755 HydrophobicContact CD1-CE 4.38Å; F748-P774 WeakPolarHBondContact O-CA 3.47Å; F748-P774 WeakPolarHBondContact O-CB 3.33Å; F748-L778 HydrophobicContact CB-CB 3.87Å; F748-L778 HydrophobicContact CB-CD1 4.41Å; F748-L778 HydrophobicContact CD1-CB 3.9Å; F748-L778 HydrophobicContact CD1-CD2 3.91Å; F748-L778 HydrophobicContact CD1-CG 4.45Å; F748-L778 HydrophobicContact CD2-CB 3.96Å; F748-L778 HydrophobicContact CE1-CB 4.43Å; F748-L778 HydrophobicContact CE1-CD2 4.29Å; F748-L778 HydrophobicContact CE2-CB 4.48Å; F748-L778 HydrophobicContact CG-CB 3.64Å; F748-L778 HydrophobicContact CG-CD2 4.46Å; F748-L854 HydrophobicContact CZ-CD2 4.2Å
749	Y	65.9	Low	69	Low	143 Å²	143	77.1 Å²	77.1	56%	0.561	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.8	-179.8	-74.7	-86.1	0	0	0	114	N747 D776	N747-Y749 HydrophobicContact CB-CD2 4.16Å; N747-Y749 PolarHBondContact O-N 3.07Å; Y749-D776 PolarHBondContact OH-OD1 2.8Å
750	K	66.6	Low	69	Low	172 Å²	172	79.5 Å²	79.5	75%	0.748	41%	0.406	S	S	*	.	S	Bend	trans	-124.7	137.5	176.8	-168.3	-173.9	175	-172.7	0	110.1	F748	F748-K750 VanDerWaalsContact C-N 3.25Å; F748-K750 PolarHBondContact O-N 2.84Å
751	V	68.5	Low	69.4	Low	53 Å²	53	75.7 Å²	75.7	32%	0.321	39%	0.389	S	S	.	.			trans	-67	136.3	171	-176.6	0	0	0	0	109.6	I698 M755	I698-V751 HydrophobicContact CD1-CG2 3.68Å; I698-V751 HydrophobicContact CG1-CG2 4.1Å; V751-M755 HydrophobicContact CG1-CB 3.93Å; V751-M755 HydrophobicContact CG1-SD 4.31Å
752	T	75	Confident	70.2	Confident	54 Å²	54	78.1 Å²	78.1	33%	0.331	40%	0.402	S	S	.	.			trans	-107.2	159.7	175.7	65	0	0	0	0	111.1	Q754 M755 T756	T752-Q754 PolarHBondContact O-N 3.02Å; T752-Q754 VanDerWaalsContact O-N 3.15Å; T752-M755 HydrophobicContact CG2-CE 4.27Å; T752-M755 WeakPolarHBondContact O-CB 3.47Å; T752-M755 PolarHBondContact O-N 2.87Å; T752-T756 PolarHBondContact O-N 2.82Å; T752-T756 VanDerWaalsContact O-N 3.14Å; T752-T756 PolarHBondContact O-OG1 2.04Å
753	D	72.1	Confident	71.6	Confident	146 Å²	146	71 Å²	71	78%	0.781	38%	0.377	S	S	*	.	H	α-helix	trans	-59.4	-29	179.8	-53.1	-50.5	0	0	0	112.5	T756 A757	D753-T756 WeakPolarHBondContact O-CB 3.03Å; D753-T756 PolarHBondContact O-N 3.16Å; D753-A757 WeakPolarHBondContact O-CB 3.22Å; D753-A757 PolarHBondContact O-N 2.85Å
754	Q	74.7	Confident	73.1	Confident	66 Å²	66	74.1 Å²	74.1	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-64.3	-40.9	171.6	-65.7	164.4	-25.4	0	0	112.5	T752 T756 A757 M758 D852 L853	T752-Q754 PolarHBondContact O-N 3.02Å; T752-Q754 VanDerWaalsContact O-N 3.15Å; Q754-T756 VanDerWaalsContact C-N 3.34Å; Q754-A757 PolarHBondContact O-N 2.98Å; Q754-M758 WeakPolarHBondContact O-CB 3.47Å; Q754-M758 WeakPolarHBondContact O-CG 3.26Å; Q754-M758 PolarHBondContact O-N 2.66Å; Q754-D852 PolarHBondContact NE2-O 3.12Å; Q754-D852 PolarHBondContact OE1-O 2.87Å; Q754-L853 HydrophobicContact CB-CD2 3.62Å
755	M	78.4	Confident	74.9	Confident	5 Å²	5	71 Å²	71	3%	0.025	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-42.2	174.3	-63	-178.8	-158.7	0	0	110.5	F748 V751 T752 M758 G759 F772 L778 L853	F748-M755 HydrophobicContact CD1-CE 4.38Å; V751-M755 HydrophobicContact CG1-CB 3.93Å; V751-M755 HydrophobicContact CG1-SD 4.31Å; T752-M755 HydrophobicContact CG2-CE 4.27Å; T752-M755 WeakPolarHBondContact O-CB 3.47Å; T752-M755 PolarHBondContact O-N 2.87Å; M755-M758 PolarHBondContact O-N 2.79Å; M755-G759 PolarHBondContact O-N 2.63Å; M755-F772 HydrophobicContact CB-CD1 4.37Å; M755-F772 HydrophobicContact CB-CD2 4.29Å; M755-F772 HydrophobicContact CB-CE1 3.99Å; M755-F772 HydrophobicContact CB-CE2 3.92Å; M755-F772 HydrophobicContact CB-CZ 3.76Å; M755-F772 HydrophobicContact CG-CD1 4.21Å; M755-F772 HydrophobicContact CG-CE1 4.01Å; M755-F772 HydrophobicContact CG-CZ 4.31Å; M755-F772 VanDerWaalsContact O-CE2 3.23Å; M755-F772 WeakPolarHBondContact O-CE2 3.34Å; M755-F772 VanDerWaalsContact O-CZ 3.23Å; M755-F772 WeakPolarHBondContact O-CZ 3.1Å; M755-F772 HydrophobicContact SD-CD1 4.33Å; M755-F772 HydrophobicContact SD-CG 4.49Å; M755-L778 HydrophobicContact CE-CD1 4.21Å; M755-L778 HydrophobicContact CE-CD2 3.74Å; M755-L778 HydrophobicContact SD-CD1 4.27Å; M755-L778 HydrophobicContact SD-CD2 4.41Å; M755-L853 HydrophobicContact CB-CD2 4.41Å; M755-L853 HydrophobicContact CE-CD2 4.31Å; M755-L853 HydrophobicContact CG-CD1 4.38Å; M755-L853 HydrophobicContact CG-CD2 3.44Å; M755-L853 VanDerWaalsContact CG-CD2 3.44Å
756	T	76.6	Confident	76.6	Confident	87 Å²	87	62.5 Å²	62.5	53%	0.534	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-50	175.5	-52.7	0	0	0	0	111.1	T752 D753 Q754 M758 G759 S760	T752-T756 PolarHBondContact O-N 2.82Å; T752-T756 VanDerWaalsContact O-N 3.14Å; T752-T756 PolarHBondContact O-OG1 2.04Å; D753-T756 WeakPolarHBondContact O-CB 3.03Å; D753-T756 PolarHBondContact O-N 3.16Å; Q754-T756 VanDerWaalsContact C-N 3.34Å; T756-M758 PolarHBondContact O-N 2.92Å; T756-G759 WeakPolarHBondContact O-CA 3.2Å; T756-G759 PolarHBondContact O-N 3.01Å; T756-G759 VanDerWaalsContact O-N 3.11Å; T756-S760 PolarHBondContact O-N 3.1Å; T756-S760 PolarHBondContact O-OG 2.78Å
757	A	76.8	Confident	78.1	Confident	41 Å²	41	59.3 Å²	59.3	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-44.6	177.5	0	0	0	0	0	112.4	D753 Q754 G759 S760 M761	D753-A757 WeakPolarHBondContact O-CB 3.22Å; D753-A757 PolarHBondContact O-N 2.85Å; Q754-A757 PolarHBondContact O-N 2.98Å; A757-G759 PolarHBondContact O-N 3.21Å; A757-S760 WeakPolarHBondContact CA-OG 3.28Å; A757-S760 PolarHBondContact O-N 3.03Å; A757-S760 PolarHBondContact O-OG 2.63Å; A757-M761 WeakPolarHBondContact O-CG 3.37Å
758	M	79.4	Confident	79.3	Confident	4 Å²	4	55 Å²	55	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-33.5	174.7	-78.4	176.8	58.3	0	0	113	Q754 M755 T756 F772 L780 Y848 G849 V850 L853	Q754-M758 WeakPolarHBondContact O-CB 3.47Å; Q754-M758 WeakPolarHBondContact O-CG 3.26Å; Q754-M758 PolarHBondContact O-N 2.66Å; M755-M758 PolarHBondContact O-N 2.79Å; T756-M758 PolarHBondContact O-N 2.92Å; M758-F772 HydrophobicContact CB-CZ 4.12Å; M758-F772 HydrophobicContact CE-CE1 4.43Å; M758-L780 HydrophobicContact CE-CD1 4.37Å; M758-L780 HydrophobicContact CE-CD2 4.33Å; M758-Y848 HydrophobicContact CB-CE2 4.06Å; M758-Y848 VanDerWaalsContact CE-O 3.26Å; M758-Y848 WeakPolarHBondContact CE-O 3.17Å; M758-Y848 HydrophobicContact CG-CD2 4.23Å; M758-Y848 HydrophobicContact CG-CE2 4.06Å; M758-Y848 PolarHBondContact O-OH 3.1Å; M758-G849 VanDerWaalsContact SD-C 3.56Å; M758-V850 HydrophobicContact CE-CG2 3.97Å; M758-L853 HydrophobicContact CE-CD1 4.04Å; M758-L853 HydrophobicContact SD-CD1 3.6Å; M758-L853 VanDerWaalsContact SD-CD1 3.6Å; M758-L853 HydrophobicContact SD-CD2 4.33Å; M758-L853 HydrophobicContact SD-CG 3.88Å
759	G	78.3	Confident	80.2	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-72.3	-33.6	178.8	0	0	0	0	0	114.5	A696 M755 T756 A757 M761	A696-G759 VanDerWaalsContact CB-CA 3.49Å; M755-G759 PolarHBondContact O-N 2.63Å; T756-G759 WeakPolarHBondContact O-CA 3.2Å; T756-G759 PolarHBondContact O-N 3.01Å; T756-G759 VanDerWaalsContact O-N 3.11Å; A757-G759 PolarHBondContact O-N 3.21Å; G759-M761 VanDerWaalsContact C-N 3.28Å; G759-M761 PolarHBondContact O-N 3.22Å
760	S	79.9	Confident	81.1	Confident	51 Å²	51	48.6 Å²	48.6	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-73.6	-12.5	178.2	42	0	0	0	0	114.9	T756 A757 N762	T756-S760 PolarHBondContact O-N 3.1Å; T756-S760 PolarHBondContact O-OG 2.78Å; A757-S760 WeakPolarHBondContact CA-OG 3.28Å; A757-S760 PolarHBondContact O-N 3.03Å; A757-S760 PolarHBondContact O-OG 2.63Å; S760-N762 PolarHBondContact O-N 2.97Å
761	M	82.6	Confident	81.8	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.224	C	C	.	.			trans	-68.8	121.4	-175.2	-58.7	-51.2	-80.5	0	0	112.5	A757 G759 Y819 L820 N823 I825 Y848	A757-M761 WeakPolarHBondContact O-CG 3.37Å; G759-M761 VanDerWaalsContact C-N 3.28Å; G759-M761 PolarHBondContact O-N 3.22Å; M761-Y819 HydrophobicContact CB-CE1 4.33Å; M761-Y819 HydrophobicContact CE-CD1 3.68Å; M761-Y819 HydrophobicContact CE-CE1 3.31Å; M761-Y819 HydrophobicContact SD-CE1 4.26Å; M761-L820 HydrophobicContact CE-CD2 3.62Å; M761-N823 HydrophobicContact CE-CB 3.52Å; M761-N823 HydrophobicContact SD-CB 3.95Å; M761-I825 HydrophobicContact CE-CD1 3.98Å; M761-I825 HydrophobicContact CG-CD1 3.83Å; M761-I825 HydrophobicContact SD-CD1 3.69Å; M761-Y848 HydrophobicContact CB-CE2 3.99Å; M761-Y848 HydrophobicContact CG-CD2 4.4Å; M761-Y848 HydrophobicContact CG-CE2 3.66Å
762	N	83.2	Confident	82.7	Confident	87 Å²	87	38.3 Å²	38.3	47%	0.465	21%	0.211	S	C	.	.			trans	-144	82.1	-173.9	-173.7	65.4	0	0	0	111.3	S760 R768 Y819	S760-N762 PolarHBondContact O-N 2.97Å; N762-R768 WeakPolarHBondContact OD1-CD 3.19Å; N762-R768 PolarHBondContact OD1-NH1 3.2Å; N762-Y819 PolarHBondContact N-OH 3.39Å
763	H	88.4	Confident	83.2	Confident	55 Å²	55	35.8 Å²	35.8	26%	0.255	20%	0.196	S	C	.	.			trans	-135.2	148.7	176.6	177.1	-113.9	0	0	0	111	N765 V766 Y819	H763-N765 PolarHBondContact ND1-N 2.94Å; H763-N765 PolarHBondContact O-N 3.22Å; H763-N765 VanDerWaalsContact O-N 3.17Å; H763-V766 HydrophobicContact CB-CB 4.41Å; H763-V766 HydrophobicContact CB-CG2 4.28Å; H763-V766 PolarHBondContact O-N 2.71Å; H763-V766 VanDerWaalsContact O-O 3.05Å; H763-Y819 HydrophobicContact CB-CD1 3.34Å; H763-Y819 HydrophobicContact CB-CD2 4.07Å; H763-Y819 HydrophobicContact CB-CE1 3.44Å; H763-Y819 VanDerWaalsContact CB-CE1 3.44Å; H763-Y819 HydrophobicContact CB-CE2 4.18Å; H763-Y819 HydrophobicContact CB-CG 3.65Å; H763-Y819 AromaticContact CG-CD1 3.99Å; H763-Y819 AromaticContact CG-CG 3.87Å
764	I	89.9	Confident	83.5	Confident	113 Å²	113	30.6 Å²	30.6	58%	0.579	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.5	-174.6	-170.8	170.4	0	0	0	113.1	T842 Q844	I764-T842 HydrophobicContact CG1-CG2 4.43Å; I764-Q844 PolarHBondContact O-NE2 2.8Å
765	N	94.4	Very high	83.6	Confident	8 Å²	8	28.2 Å²	28.2	4%	0.043	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	19.7	178.1	-56.3	117.7	0	0	0	114.2	H763 Q812 A843 Q844 I845	H763-N765 PolarHBondContact ND1-N 2.94Å; H763-N765 PolarHBondContact O-N 3.22Å; H763-N765 VanDerWaalsContact O-N 3.17Å; N765-Q812 WeakPolarHBondContact CB-O 3.43Å; N765-Q812 VanDerWaalsContact CG-O 3.32Å; N765-Q812 WeakPolarHBondContact ND2-CB 3.24Å; N765-Q812 WeakPolarHBondContact ND2-CG 3.47Å; N765-A843 WeakPolarHBondContact CA-O 3.49Å; N765-A843 PolarHBondContact ND2-O 3.16Å; N765-Q844 WeakPolarHBondContact O-CA 3.29Å; N765-I845 PolarHBondContact O-N 2.75Å
766	V	91.6	Very high	83.3	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-127.9	135.5	173	179.5	0	0	0	0	109.3	H763 R768 Y819 L820 Y848	H763-V766 HydrophobicContact CB-CB 4.41Å; H763-V766 HydrophobicContact CB-CG2 4.28Å; H763-V766 PolarHBondContact O-N 2.71Å; H763-V766 VanDerWaalsContact O-O 3.05Å; V766-R768 PolarHBondContact O-N 2.86Å; V766-Y819 HydrophobicContact CG2-CD1 4.07Å; V766-L820 HydrophobicContact CG1-CD2 4.41Å; V766-L820 HydrophobicContact CG2-CD2 4.3Å; V766-Y848 HydrophobicContact CG1-CD1 3.74Å; V766-Y848 HydrophobicContact CG1-CE1 3.39Å
767	V	89.2	Confident	83.3	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.036	19%	0.187	C	C	.	.			trans	-75.2	95.1	178.7	179.7	0	0	0	0	108.8	T769 T782 L836 Q844 I845 Y848	V767-T769 PolarHBondContact O-N 2.77Å; V767-T782 HydrophobicContact CG1-CG2 3.99Å; V767-L836 HydrophobicContact CG2-CB 4.37Å; V767-L836 HydrophobicContact CG2-CD1 4.23Å; V767-L836 HydrophobicContact CG2-CG 4.48Å; V767-Q844 HydrophobicContact CG2-CB 3.48Å; V767-Q844 VanDerWaalsContact CG2-CB 3.48Å; V767-I845 PolarHBondContact N-O 2.89Å; V767-Y848 WeakPolarHBondContact O-CE1 3.4Å
768	R	86.1	Confident	83.7	Confident	45 Å²	45	30.8 Å²	30.8	17%	0.17	17%	0.171	C	C	.	.			trans	-51.6	126.8	178.4	172.7	168.7	166.8	177.7	-5.9	111.4	N762 V766 P783	N762-R768 WeakPolarHBondContact OD1-CD 3.19Å; N762-R768 PolarHBondContact OD1-NH1 3.2Å; V766-R768 PolarHBondContact O-N 2.86Å; R768-P783 VanDerWaalsContact O-CD 3.25Å; R768-P783 WeakPolarHBondContact O-CD 3.25Å
769	T	86.6	Confident	84.1	Confident	2 Å²	2	32 Å²	32	1%	0.012	18%	0.176	C	C	.	.			trans	-67.6	131.1	169.3	-67.2	0	0	0	0	110	A696 V767 F772 L780 Y848	A696-T769 HydrophobicContact CB-CG2 4.46Å; V767-T769 PolarHBondContact O-N 2.77Å; T769-F772 HydrophobicContact CG2-CD2 4.45Å; T769-F772 HydrophobicContact CG2-CE1 4.47Å; T769-F772 HydrophobicContact CG2-CE2 3.84Å; T769-F772 HydrophobicContact CG2-CZ 3.85Å; T769-L780 HydrophobicContact CG2-CD1 3.53Å; T769-Y848 PolarHBondContact OG1-OH 3.16Å
770	L	84.1	Confident	84.5	Confident	19 Å²	19	32.3 Å²	32.3	10%	0.099	18%	0.178	C	C	.	.			trans	-84.9	-34	173	-62.8	177.1	0	0	0	111.1	M675 R697 F699 V734 V781 P783	M675-L770 HydrophobicContact CE-CD2 4.37Å; R697-L770 PolarHBondContact N-O 3.32Å; F699-L770 HydrophobicContact CE2-CB 4.4Å; F699-L770 HydrophobicContact CZ-CB 4.36Å; V734-L770 HydrophobicContact CG1-CD1 3.96Å; L770-V781 WeakPolarHBondContact CB-O 3.48Å; L770-V781 HydrophobicContact CD1-CG1 4.5Å; L770-V781 PolarHBondContact N-O 3.05Å; L770-P783 HydrophobicContact CD1-CG 4.21Å; L770-P783 HydrophobicContact CD2-CG 4.19Å; L770-P783 HydrophobicContact CG-CG 4.16Å
771	G	82.8	Confident	84.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-176.1	-178.1	0	0	0	0	0	114.4	R697 F699 V781	R697-G771 CarbonylContact O-C 3.54Å; R697-G771 WeakPolarHBondContact O-CA 3.31Å; F699-G771 VanDerWaalsContact CE2-CA 3.5Å; G771-V781 PolarHBondContact N-O 3.47Å; G771-V781 PolarHBondContact O-N 2.62Å
772	F	86.2	Confident	85.2	Confident	9 Å²	9	30.8 Å²	30.8	4%	0.039	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.2	-174.3	-56.1	-95.2	0	0	0	110	A696 R697 I698 F699 M755 M758 T769 P774 L778 Q779 L780 L853	A696-F772 HydrophobicContact CB-CE2 4.16Å; R697-F772 PolarHBondContact O-N 2.65Å; I698-F772 CarbonylContact C-O 3.58Å; I698-F772 WeakPolarHBondContact CA-O 3.05Å; F699-F772 PolarHBondContact N-O 3.32Å; M755-F772 HydrophobicContact CB-CD1 4.37Å; M755-F772 HydrophobicContact CB-CD2 4.29Å; M755-F772 HydrophobicContact CB-CE1 3.99Å; M755-F772 HydrophobicContact CB-CE2 3.92Å; M755-F772 HydrophobicContact CB-CZ 3.76Å; M755-F772 HydrophobicContact CG-CD1 4.21Å; M755-F772 HydrophobicContact CG-CE1 4.01Å; M755-F772 HydrophobicContact CG-CZ 4.31Å; M755-F772 VanDerWaalsContact O-CE2 3.23Å; M755-F772 WeakPolarHBondContact O-CE2 3.34Å; M755-F772 VanDerWaalsContact O-CZ 3.23Å; M755-F772 WeakPolarHBondContact O-CZ 3.1Å; M755-F772 HydrophobicContact SD-CD1 4.33Å; M755-F772 HydrophobicContact SD-CG 4.49Å; M758-F772 HydrophobicContact CB-CZ 4.12Å; M758-F772 HydrophobicContact CE-CE1 4.43Å; T769-F772 HydrophobicContact CG2-CD2 4.45Å; T769-F772 HydrophobicContact CG2-CE1 4.47Å; T769-F772 HydrophobicContact CG2-CE2 3.84Å; T769-F772 HydrophobicContact CG2-CZ 3.85Å; F772-P774 WeakPolarHBondContact O-CD 3.4Å; F772-L778 HydrophobicContact CB-CD1 4.21Å; F772-L778 HydrophobicContact CD1-CD1 4.36Å; F772-Q779 CarbonylContact C-O 3.53Å; F772-Q779 WeakPolarHBondContact CA-O 3.45Å; F772-L780 HydrophobicContact CD1-CD1 3.9Å; F772-L780 HydrophobicContact CE1-CD1 3.54Å; F772-L780 HydrophobicContact CZ-CD1 4.1Å; F772-L853 HydrophobicContact CE1-CD1 4.4Å
773	C	86	Confident	85.3	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	101.7	167	-169.5	0	0	0	0	108.5	F699 L704 Q779	F699-C773 HydrophobicContact CB-CB 4.19Å; F699-C773 PolarHBondContact O-SG 3.29Å; F699-C773 VanDerWaalsContact O-SG 3.4Å; L704-C773 HydrophobicContact CD1-CB 3.85Å; C773-Q779 HydrophobicContact CB-CB 3.93Å; C773-Q779 HydrophobicContact CB-CG 4.25Å; C773-Q779 PolarHBondContact N-O 2.66Å; C773-Q779 PolarHBondContact O-N 3.33Å
774	P	79.4	Confident	85.1	Confident	37 Å²	37	28.5 Å²	28.5	24%	0.24	16%	0.158	C	C	.	.			trans	-70.3	158.1	171.9	29.7	-34.5	0	0	0	111.6	I698 F748 F772	I698-P774 HydrophobicContact CG2-CG 3.83Å; F748-P774 WeakPolarHBondContact O-CA 3.47Å; F748-P774 WeakPolarHBondContact O-CB 3.33Å; F772-P774 WeakPolarHBondContact O-CD 3.4Å
775	G	75.8	Confident	84.9	Confident	15 Å²	15	24.2 Å²	24.2	16%	0.155	14%	0.138	C	C	.	.	S	Bend	trans	149.2	-161.1	-177.5	0	0	0	0	0	112	S777	G775-S777 PolarHBondContact O-N 3.05Å
776	D	72.4	Confident	84.2	Confident	151 Å²	151	26.7 Å²	26.7	81%	0.807	16%	0.156	S	C	*	.	S	Bend	trans	-57.4	-22.9	179.9	-55.6	-71.9	0	0	0	114	Y749	Y749-D776 PolarHBondContact OH-OD1 2.8Å
777	S	77.4	Confident	83.9	Confident	37 Å²	37	30.2 Å²	30.2	26%	0.259	17%	0.173	S	C	.	.	S	Bend	trans	-142.2	126.2	167.6	49.8	0	0	0	0	109.2	T738 G775 Q779	T738-S777 WeakPolarHBondContact CG2-OG 3.37Å; G775-S777 PolarHBondContact O-N 3.05Å; S777-Q779 WeakPolarHBondContact O-CG 3.43Å; S777-Q779 PolarHBondContact O-N 2.79Å
778	L	83.9	Confident	83.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.			trans	-64.3	129.7	178.1	-178.5	62.1	0	0	0	109.9	I739 F748 M755 F772 L853	I739-L778 HydrophobicContact CB-CB 4.39Å; I739-L778 WeakPolarHBondContact CB-O 3.42Å; I739-L778 HydrophobicContact CD1-CD2 4.02Å; I739-L778 HydrophobicContact CD1-CG 4.27Å; I739-L778 PolarHBondContact N-O 2.98Å; F748-L778 HydrophobicContact CB-CB 3.87Å; F748-L778 HydrophobicContact CB-CD1 4.41Å; F748-L778 HydrophobicContact CD1-CB 3.9Å; F748-L778 HydrophobicContact CD1-CD2 3.91Å; F748-L778 HydrophobicContact CD1-CG 4.45Å; F748-L778 HydrophobicContact CD2-CB 3.96Å; F748-L778 HydrophobicContact CE1-CB 4.43Å; F748-L778 HydrophobicContact CE1-CD2 4.29Å; F748-L778 HydrophobicContact CE2-CB 4.48Å; F748-L778 HydrophobicContact CG-CB 3.64Å; F748-L778 HydrophobicContact CG-CD2 4.46Å; M755-L778 HydrophobicContact CE-CD1 4.21Å; M755-L778 HydrophobicContact CE-CD2 3.74Å; M755-L778 HydrophobicContact SD-CD1 4.27Å; M755-L778 HydrophobicContact SD-CD2 4.41Å; F772-L778 HydrophobicContact CB-CD1 4.21Å; F772-L778 HydrophobicContact CD1-CD1 4.36Å; L778-L853 HydrophobicContact CD2-CD1 4.05Å
779	Q	87.7	Confident	84	Confident	29 Å²	29	30.1 Å²	30.1	14%	0.136	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.5	175.7	-36.4	-173	17.7	0	0	110.7	K706 I736 R737 T738 F772 C773 S777	K706-Q779 VanDerWaalsContact NZ-CD 3.3Å; I736-Q779 HydrophobicContact CG2-CB 3.99Å; R737-Q779 CarbonylContact O-C 3.58Å; R737-Q779 VanDerWaalsContact O-CA 3.26Å; R737-Q779 WeakPolarHBondContact O-CA 3.06Å; T738-Q779 HydrophobicContact CG2-CG 4.42Å; F772-Q779 CarbonylContact C-O 3.53Å; F772-Q779 WeakPolarHBondContact CA-O 3.45Å; C773-Q779 HydrophobicContact CB-CB 3.93Å; C773-Q779 HydrophobicContact CB-CG 4.25Å; C773-Q779 PolarHBondContact N-O 2.66Å; C773-Q779 PolarHBondContact O-N 3.33Å; S777-Q779 WeakPolarHBondContact O-CG 3.43Å; S777-Q779 PolarHBondContact O-N 2.79Å
780	L	87.3	Confident	84.3	Confident	8 Å²	8	30 Å²	30	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.6	173.3	177.9	68.2	0	0	0	109.2	R737 I739 M758 T769 F772 V850	R737-L780 HydrophobicContact CB-CB 4.35Å; R737-L780 PolarHBondContact N-O 3.29Å; R737-L780 PolarHBondContact O-N 2.81Å; I739-L780 HydrophobicContact CD1-CB 4.39Å; M758-L780 HydrophobicContact CE-CD1 4.37Å; M758-L780 HydrophobicContact CE-CD2 4.33Å; T769-L780 HydrophobicContact CG2-CD1 3.53Å; F772-L780 HydrophobicContact CD1-CD1 3.9Å; F772-L780 HydrophobicContact CE1-CD1 3.54Å; F772-L780 HydrophobicContact CZ-CD1 4.1Å; L780-V850 HydrophobicContact CD2-CG2 4.17Å
781	V	87.7	Confident	84.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.6	-178.4	-172.9	0	0	0	0	110.5	F699 L704 V734 A735 L770 G771	F699-V781 HydrophobicContact CD2-CB 4.03Å; F699-V781 HydrophobicContact CD2-CG2 3.69Å; F699-V781 HydrophobicContact CE2-CB 3.68Å; F699-V781 HydrophobicContact CE2-CG1 3.96Å; F699-V781 HydrophobicContact CE2-CG2 3.89Å; F699-V781 HydrophobicContact CZ-CG1 4.42Å; L704-V781 HydrophobicContact CD1-CG2 3.67Å; L704-V781 HydrophobicContact CD2-CG1 4.33Å; L704-V781 HydrophobicContact CD2-CG2 4.15Å; V734-V781 HydrophobicContact CB-CG1 3.88Å; V734-V781 HydrophobicContact CG1-CG1 4.13Å; V734-V781 HydrophobicContact CG2-CG1 4.09Å; A735-V781 WeakPolarHBondContact O-CA 3.21Å; L770-V781 WeakPolarHBondContact CB-O 3.48Å; L770-V781 HydrophobicContact CD1-CG1 4.5Å; L770-V781 PolarHBondContact N-O 3.05Å; G771-V781 PolarHBondContact N-O 3.47Å; G771-V781 PolarHBondContact O-N 2.62Å
782	T	88.4	Confident	84.9	Confident	21 Å²	21	35.9 Å²	35.9	13%	0.129	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.2	179.1	52.3	0	0	0	0	111	V734 A735 V767	V734-T782 WeakPolarHBondContact CA-O 3.21Å; A735-T782 PolarHBondContact N-O 2.92Å; A735-T782 PolarHBondContact O-N 3.03Å; V767-T782 HydrophobicContact CG1-CG2 3.99Å
783	P	86.4	Confident	85.1	Confident	44 Å²	44	36.6 Å²	36.6	29%	0.286	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	144.3	170.2	-19.1	32.9	0	0	0	110.6	R768 L770 S785	R768-P783 VanDerWaalsContact O-CD 3.25Å; R768-P783 WeakPolarHBondContact O-CD 3.25Å; L770-P783 HydrophobicContact CD1-CG 4.21Å; L770-P783 HydrophobicContact CD2-CG 4.19Å; L770-P783 HydrophobicContact CG-CG 4.16Å; P783-S785 PolarHBondContact O-N 3.08Å
784	L	84.5	Confident	85.3	Confident	50 Å²	50	36.5 Å²	36.5	26%	0.262	21%	0.213	S	C	.	.			trans	-76.2	104.5	175.1	-177.1	69.6	0	0	0	110.6	L710 K720 P733 A735 S786	L710-L784 HydrophobicContact CD1-CD1 3.79Å; K720-L784 HydrophobicContact CD-CD2 3.94Å; K720-L784 HydrophobicContact CG-CD1 4.4Å; K720-L784 HydrophobicContact CG-CD2 3.94Å; P733-L784 HydrophobicContact CB-CB 4.44Å; P733-L784 HydrophobicContact CB-CD2 4.24Å; A735-L784 HydrophobicContact CB-CD1 4.3Å; L784-S786 PolarHBondContact O-N 3.23Å
785	S	84.3	Confident	85.8	Confident	23 Å²	23	40.4 Å²	40.4	16%	0.161	22%	0.223	C	C	.	.			trans	-61.5	128.4	170.3	-59	0	0	0	0	111.2	P783 L836	P783-S785 PolarHBondContact O-N 3.08Å; S785-L836 WeakPolarHBondContact OG-CD1 3Å
786	S	81.3	Confident	86.3	Confident	61 Å²	61	44 Å²	44	43%	0.427	25%	0.245	S	C	.	.	S	Bend	trans	-81.1	-32.6	-172.2	50	0	0	0	0	114.4	L784 D839	L784-S786 PolarHBondContact O-N 3.23Å; S786-D839 WeakPolarHBondContact CB-OD1 3.35Å; S786-D839 PolarHBondContact OG-N 3.37Å; S786-D839 PolarHBondContact OG-OD1 2.85Å
787	Q	83.9	Confident	87	Confident	75 Å²	75	39.1 Å²	39.1	35%	0.35	22%	0.219	S	C	.	.	S	Bend	trans	-94.1	9.3	-177.3	-59.1	-63.5	-28.9	0	0	113.3	L837 N838 F841	Q787-L837 HydrophobicContact CB-CB 3.62Å; Q787-L837 WeakPolarHBondContact CB-O 3.29Å; Q787-L837 PolarHBondContact N-O 3.32Å; Q787-N838 VanDerWaalsContact CG-O 3.24Å; Q787-N838 WeakPolarHBondContact CG-O 3.42Å; Q787-F841 HydrophobicContact CB-CE1 4.46Å; Q787-F841 HydrophobicContact CG-CD1 4.07Å; Q787-F841 HydrophobicContact CG-CE1 3.79Å; Q787-F841 HydrophobicContact CG-CZ 4.48Å
788	G	87	Confident	86.9	Confident	26 Å²	26	41.6 Å²	41.6	27%	0.268	23%	0.226	S	C	.	.			trans	71.3	-149.4	176.3	0	0	0	0	0	114.3	L836 L837	G788-L836 WeakPolarHBondContact O-CA 3.36Å; G788-L837 PolarHBondContact O-N 2.85Å
789	S	90.3	Very high	86.2	Confident	23 Å²	23	47.3 Å²	47.3	16%	0.161	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-89.8	148.8	177.7	71.5	0	0	0	0	112	L791 E792 H793	S789-L791 VanDerWaalsContact C-N 3.29Å; S789-L791 PolarHBondContact O-N 3.23Å; S789-E792 PolarHBondContact O-N 3.27Å; S789-E792 VanDerWaalsContact OG-CB 3.3Å; S789-E792 WeakPolarHBondContact OG-CB 3.34Å; S789-E792 PolarHBondContact OG-N 3.49Å; S789-H793 WeakPolarHBondContact O-CB 3.08Å; S789-H793 PolarHBondContact O-N 3.5Å
790	M	93.4	Very high	85.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-37.1	177.8	-177.7	169	-74.6	0	0	112	E792 H793 V794 W809 I813 V835 L837 A843 M900	M790-E792 PolarHBondContact O-N 2.03Å; M790-H793 PolarHBondContact O-N 2.92Å; M790-V794 HydrophobicContact CG-CG2 4.01Å; M790-V794 VanDerWaalsContact O-CB 3.29Å; M790-V794 WeakPolarHBondContact O-CB 3.36Å; M790-V794 VanDerWaalsContact O-CG2 3.24Å; M790-V794 WeakPolarHBondContact O-CG2 3.47Å; M790-V794 PolarHBondContact O-N 2.91Å; M790-W809 HydrophobicContact CE-CB 3.73Å; M790-W809 HydrophobicContact CE-CD2 3.54Å; M790-W809 HydrophobicContact CE-CE3 3.97Å; M790-W809 HydrophobicContact CE-CG 3.42Å; M790-W809 VanDerWaalsContact CE-CG 3.42Å; M790-W809 HydrophobicContact SD-CB 4.34Å; M790-W809 HydrophobicContact SD-CD2 4.45Å; M790-W809 HydrophobicContact SD-CE3 4.35Å; M790-W809 HydrophobicContact SD-CG 4.48Å; M790-I813 HydrophobicContact SD-CD1 4.06Å; M790-V835 HydrophobicContact CB-CB 4.04Å; M790-V835 HydrophobicContact CB-CG1 4.18Å; M790-V835 WeakPolarHBondContact CB-O 3.02Å; M790-V835 HydrophobicContact CE-CG1 3.73Å; M790-V835 PolarHBondContact N-O 2.98Å; M790-V835 HydrophobicContact SD-CB 4.39Å; M790-V835 HydrophobicContact SD-CG1 4.01Å; M790-L837 HydrophobicContact CE-CD2 3.84Å; M790-L837 HydrophobicContact CE-CG 4.33Å; M790-A843 HydrophobicContact CE-CB 3.64Å; M790-M900 HydrophobicContact SD-CE 3.78Å; M790-M900 HydrophobicContact SD-CG 4Å; M790-M900 HydrophobicContact SD-SD 3.73Å
791	L	90.9	Very high	85.5	Confident	22 Å²	22	54.7 Å²	54.7	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-44.9	175	-179.2	59	0	0	0	112.5	S789 R795 A832 R833 E899	S789-L791 VanDerWaalsContact C-N 3.29Å; S789-L791 PolarHBondContact O-N 3.23Å; L791-R795 HydrophobicContact CD1-CG 4.37Å; L791-R795 VanDerWaalsContact O-CB 3.29Å; L791-R795 WeakPolarHBondContact O-CB 3.31Å; L791-R795 WeakPolarHBondContact O-CG 3.49Å; L791-R795 PolarHBondContact O-N 3.11Å; L791-A832 HydrophobicContact CB-CB 4.04Å; L791-A832 PolarHBondContact N-O 3.14Å; L791-R833 HydrophobicContact CD2-CB 4.05Å; L791-E899 HydrophobicContact CD1-CG 4.09Å; L791-E899 WeakPolarHBondContact CD1-OE1 3.35Å
792	E	88.9	Confident	85.5	Confident	120 Å²	120	57.4 Å²	57.4	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-70.2	-43.1	178.6	-175.7	172.4	-154.3	0	0	111.6	S789 M790 R795 S796	S789-E792 PolarHBondContact O-N 3.27Å; S789-E792 VanDerWaalsContact OG-CB 3.3Å; S789-E792 WeakPolarHBondContact OG-CB 3.34Å; S789-E792 PolarHBondContact OG-N 3.49Å; M790-E792 PolarHBondContact O-N 2.03Å; E792-R795 PolarHBondContact O-N 2.04Å; E792-S796 WeakPolarHBondContact O-CB 3.35Å; E792-S796 PolarHBondContact O-N 2.83Å; E792-S796 PolarHBondContact O-OG 2.89Å
793	H	89.9	Confident	85.5	Confident	24 Å²	24	57.9 Å²	57.9	11%	0.111	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-45.6	176.2	-174.9	90.3	0	0	0	112.1	S789 M790 S796 N797 W809 L837 F841	S789-H793 WeakPolarHBondContact O-CB 3.08Å; S789-H793 PolarHBondContact O-N 3.5Å; M790-H793 PolarHBondContact O-N 2.92Å; H793-S796 PolarHBondContact O-N 2.04Å; H793-N797 WeakPolarHBondContact O-CB 3.36Å; H793-N797 PolarHBondContact O-N 2.79Å; H793-N797 VanDerWaalsContact O-N 3.14Å; H793-N797 PolarHBondContact O-ND2 2.86Å; H793-W809 AromaticContact CD2-CH2 3.6Å; H793-W809 AromaticContact NE2-CH2 3.73Å; H793-L837 HydrophobicContact CB-CD1 3.66Å; H793-F841 AromaticContact CE1-CD1 3.85Å; H793-F841 AromaticContact CE1-CE1 3.62Å
794	V	90.3	Very high	85.7	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-41.3	178.2	169.7	0	0	0	0	111.3	M790 S796 N797 K798 L801 W809	M790-V794 HydrophobicContact CG-CG2 4.01Å; M790-V794 VanDerWaalsContact O-CB 3.29Å; M790-V794 WeakPolarHBondContact O-CB 3.36Å; M790-V794 VanDerWaalsContact O-CG2 3.24Å; M790-V794 WeakPolarHBondContact O-CG2 3.47Å; M790-V794 PolarHBondContact O-N 2.91Å; V794-S796 VanDerWaalsContact C-N 3.27Å; V794-S796 PolarHBondContact O-N 2.89Å; V794-N797 PolarHBondContact O-N 2.97Å; V794-K798 PolarHBondContact O-N 2.81Å; V794-L801 HydrophobicContact CB-CD1 4.23Å; V794-L801 HydrophobicContact CG1-CD1 4Å; V794-L801 HydrophobicContact CG2-CD1 4.07Å; V794-W809 HydrophobicContact CG2-CZ3 4.11Å
795	R	90.4	Very high	86	Confident	118 Å²	118	60.2 Å²	60.2	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-31.8	175.2	-78	174.2	174.7	-178.9	0.6	113.2	L791 E792 K798 G904	L791-R795 HydrophobicContact CD1-CG 4.37Å; L791-R795 VanDerWaalsContact O-CB 3.29Å; L791-R795 WeakPolarHBondContact O-CB 3.31Å; L791-R795 WeakPolarHBondContact O-CG 3.49Å; L791-R795 PolarHBondContact O-N 3.11Å; E792-R795 PolarHBondContact O-N 2.04Å; R795-K798 WeakPolarHBondContact O-CE 3.48Å; R795-K798 WeakPolarHBondContact O-CG 3.37Å; R795-G904 VanDerWaalsContact CZ-O 3.25Å; R795-G904 PolarHBondContact NE-O 2.88Å; R795-G904 PolarHBondContact NH2-O 3.23Å
796	S	86.8	Confident	86.4	Confident	90 Å²	90	59.1 Å²	59.1	63%	0.629	31%	0.306	S	S	*	.	H	α-helix	trans	-81.1	-25.6	-179.4	-56.3	0	0	0	0	113.3	E792 H793 V794	E792-S796 WeakPolarHBondContact O-CB 3.35Å; E792-S796 PolarHBondContact O-N 2.83Å; E792-S796 PolarHBondContact O-OG 2.89Å; H793-S796 PolarHBondContact O-N 2.04Å; V794-S796 VanDerWaalsContact C-N 3.27Å; V794-S796 PolarHBondContact O-N 2.89Å
797	N	85.7	Confident	87	Confident	49 Å²	49	56.2 Å²	56.2	26%	0.262	29%	0.285	S	S	.	.			trans	-116.6	24.5	-170.4	-67.6	-73.4	0	0	0	114.3	H793 V794 N799 K800 L801	H793-N797 WeakPolarHBondContact O-CB 3.36Å; H793-N797 PolarHBondContact O-N 2.79Å; H793-N797 VanDerWaalsContact O-N 3.14Å; H793-N797 PolarHBondContact O-ND2 2.86Å; V794-N797 PolarHBondContact O-N 2.97Å; N797-N799 PolarHBondContact O-N 3.29Å; N797-K800 HydrophobicContact CB-CB 4.45Å; N797-K800 PolarHBondContact O-N 3.08Å; N797-L801 HydrophobicContact CB-CD2 4.1Å; N797-L801 HydrophobicContact CB-CG 4.1Å; N797-L801 WeakPolarHBondContact O-CG 3.38Å
798	K	76.1	Confident	87.5	Confident	89 Å²	89	55.5 Å²	55.5	39%	0.387	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-30.4	-169.5	-58.1	-164.2	176.9	-165.6	0	116.9	V794 R795 H903	V794-K798 PolarHBondContact O-N 2.81Å; R795-K798 WeakPolarHBondContact O-CE 3.48Å; R795-K798 WeakPolarHBondContact O-CG 3.37Å; K798-H903 HydrophobicContact CB-CB 4.42Å; K798-H903 HydrophobicContact CD-CB 4Å; K798-H903 VanDerWaalsContact CE-O 3.28Å; K798-H903 WeakPolarHBondContact CE-O 3.29Å; K798-H903 HydrophobicContact CG-CB 4.07Å; K798-H903 PolarHBondContact NZ-O 2.75Å; K798-H903 PolarHBondContact O-CE1 3.45Å; K798-H903 PolarHBondContact O-ND1 3.01Å
799	N	69.4	Low	88	Confident	121 Å²	121	54.4 Å²	54.4	65%	0.647	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	12.5	-178	-60.4	20.5	0	0	0	112.9	N797	N797-N799 PolarHBondContact O-N 3.29Å
800	K	76.6	Confident	88.3	Confident	178 Å²	178	53.3 Å²	53.3	77%	0.774	26%	0.264	S	S	*	.	S	Bend	trans	-129.8	6.6	-173.9	-62.8	-172	176	-173	0	113.9	N797	N797-K800 HydrophobicContact CB-CB 4.45Å; N797-K800 PolarHBondContact O-N 3.08Å
801	L	82.9	Confident	88.5	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.068	27%	0.268	C	S	.	.			trans	-93.2	117.5	-179.2	-65.7	168.4	0	0	0	109.7	V794 N797 L806 W809 I974	V794-L801 HydrophobicContact CB-CD1 4.23Å; V794-L801 HydrophobicContact CG1-CD1 4Å; V794-L801 HydrophobicContact CG2-CD1 4.07Å; N797-L801 HydrophobicContact CB-CD2 4.1Å; N797-L801 HydrophobicContact CB-CG 4.1Å; N797-L801 WeakPolarHBondContact O-CG 3.38Å; L801-L806 HydrophobicContact CB-CD1 4.48Å; L801-L806 HydrophobicContact CB-CG 4.37Å; L801-L806 HydrophobicContact CD1-CD2 4.26Å; L801-W809 HydrophobicContact CD2-CH2 3.76Å; L801-W809 HydrophobicContact CD2-CZ3 3.87Å; L801-I974 VanDerWaalsContact O-CD1 3.3Å; L801-I974 WeakPolarHBondContact O-CD1 3.41Å
802	S	87.1	Confident	88.8	Confident	57 Å²	57	54.9 Å²	54.9	40%	0.399	27%	0.272	S	S	.	.			trans	-72.1	145.3	175.9	65.3	0	0	0	0	111.4	Q804 R805 L806	S802-Q804 PolarHBondContact O-N 2.92Å; S802-R805 PolarHBondContact O-N 2.72Å; S802-R805 WeakPolarHBondContact OG-CB 3.45Å; S802-R805 PolarHBondContact OG-N 3.25Å; S802-L806 PolarHBondContact O-N 3.39Å
803	P	88.9	Confident	89.2	Confident	32 Å²	32	49.2 Å²	49.2	21%	0.208	25%	0.245	C	C	.	.	H	α-helix	trans	-49	-42.2	173.2	-34.3	40.7	0	0	0	113.6	R805 L806 L807 P968 L972 I974	P803-R805 VanDerWaalsContact C-N 3.34Å; P803-R805 PolarHBondContact O-N 3.42Å; P803-L806 PolarHBondContact O-N 2.98Å; P803-L807 PolarHBondContact O-N 2.73Å; P803-L807 VanDerWaalsContact O-N 3.07Å; P803-P968 HydrophobicContact CB-CB 3.56Å; P803-L972 HydrophobicContact CB-CB 4.08Å; P803-L972 HydrophobicContact CB-CD1 4.25Å; P803-I974 HydrophobicContact CG-CD1 3.86Å; P803-I974 HydrophobicContact CG-CG1 4.17Å
804	Q	90.1	Very high	89.6	Confident	74 Å²	74	48 Å²	48	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-44.2	176.4	-174.4	69.3	73.2	0	0	112.4	S802 N808 A965 P968	S802-Q804 PolarHBondContact O-N 2.92Å; Q804-N808 PolarHBondContact NE2-OD1 2.99Å; Q804-N808 VanDerWaalsContact O-CB 3.22Å; Q804-N808 WeakPolarHBondContact O-CB 3.43Å; Q804-N808 PolarHBondContact O-N 2.79Å; Q804-N808 PolarHBondContact O-ND2 3.26Å; Q804-N808 PolarHBondContact O-OD1 3.31Å; Q804-A965 PolarHBondContact NE2-O 2.87Å; Q804-A965 PolarHBondContact OE1-O 3.22Å; Q804-P968 HydrophobicContact CB-CG 3.98Å; Q804-P968 HydrophobicContact CG-CG 4.44Å; Q804-P968 VanDerWaalsContact OE1-CG 3.28Å
805	R	91.1	Very high	89.9	Confident	68 Å²	68	52.5 Å²	52.5	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-71.7	-37	-175.9	-165.8	166.9	-74.8	-165.3	-1.6	111.2	S802 P803 W809 E986	S802-R805 PolarHBondContact O-N 2.72Å; S802-R805 WeakPolarHBondContact OG-CB 3.45Å; S802-R805 PolarHBondContact OG-N 3.25Å; P803-R805 VanDerWaalsContact C-N 3.34Å; P803-R805 PolarHBondContact O-N 3.42Å; R805-W809 HydrophobicContact CG-CD2 4.36Å; R805-W809 HydrophobicContact CG-CH2 3.98Å; R805-W809 HydrophobicContact CG-CZ2 3.68Å; R805-W809 HydrophobicContact CG-CZ3 4.44Å; R805-W809 VanDerWaalsContact O-CG 3.31Å; R805-W809 PolarHBondContact O-N 3.22Å; R805-W809 VanDerWaalsContact O-N 3.11Å; R805-E986 IonicContact NH2-OE1 3.43Å; R805-E986 PolarHBondContact NH2-OE1 3.21Å; R805-E986 IonicContact NH2-OE2 3.22Å; R805-E986 PolarHBondContact NH2-OE2 2.93Å
806	L	93.4	Very high	90.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-51.7	172.4	-69.9	171.5	0	0	0	112.3	L801 S802 P803 N808 W809 C810 M901 I931 L972	L801-L806 HydrophobicContact CB-CD1 4.48Å; L801-L806 HydrophobicContact CB-CG 4.37Å; L801-L806 HydrophobicContact CD1-CD2 4.26Å; S802-L806 PolarHBondContact O-N 3.39Å; P803-L806 PolarHBondContact O-N 2.98Å; L806-N808 PolarHBondContact O-N 2.77Å; L806-W809 HydrophobicContact CD2-CE3 4.16Å; L806-W809 HydrophobicContact CD2-CZ3 4.17Å; L806-W809 PolarHBondContact O-N 2.84Å; L806-C810 PolarHBondContact O-N 2.92Å; L806-C810 VanDerWaalsContact O-N 3.15Å; L806-C810 PolarHBondContact O-SG 3.48Å; L806-C810 VanDerWaalsContact O-SG 3.35Å; L806-M901 HydrophobicContact CB-CE 4.17Å; L806-M901 HydrophobicContact CB-SD 4.21Å; L806-M901 HydrophobicContact CD1-SD 4.15Å; L806-I931 HydrophobicContact CD1-CD1 3.99Å; L806-L972 HydrophobicContact CB-CD1 4.08Å; L806-L972 HydrophobicContact CD1-CD1 4.26Å
807	L	94.8	Very high	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-38	179.6	-64.9	173.4	0	0	0	112.1	P803 W809 C810 V811 M901 F961 M964 A965 P968 L972	P803-L807 PolarHBondContact O-N 2.73Å; P803-L807 VanDerWaalsContact O-N 3.07Å; L807-W809 VanDerWaalsContact C-N 3.27Å; L807-W809 PolarHBondContact O-N 2.65Å; L807-C810 WeakPolarHBondContact O-CB 3.22Å; L807-C810 PolarHBondContact O-N 2.84Å; L807-C810 VanDerWaalsContact O-N 3.14Å; L807-V811 PolarHBondContact O-N 2.04Å; L807-M901 HydrophobicContact CD2-CE 4.06Å; L807-F961 HydrophobicContact CD2-CD1 4.06Å; L807-F961 HydrophobicContact CD2-CE1 4.33Å; L807-M964 HydrophobicContact CD1-CB 4.29Å; L807-M964 HydrophobicContact CD2-CB 4.43Å; L807-A965 HydrophobicContact CB-CB 3.98Å; L807-P968 HydrophobicContact CD1-CB 3.89Å; L807-P968 HydrophobicContact CD1-CG 4.3Å; L807-L972 HydrophobicContact CD1-CD1 4.24Å; L807-L972 HydrophobicContact CD1-CG 4.45Å; L807-L972 HydrophobicContact CD2-CD1 3.96Å; L807-L972 HydrophobicContact CD2-CG 4.26Å; L807-L972 HydrophobicContact CG-CD1 3.76Å; L807-L972 HydrophobicContact CG-CG 4.34Å
808	N	94.5	Very high	91.1	Very high	61 Å²	61	41.4 Å²	41.4	33%	0.326	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-36.9	174	-75.1	-4	0	0	0	112.1	Q804 L806 V811 Q812	Q804-N808 PolarHBondContact NE2-OD1 2.99Å; Q804-N808 VanDerWaalsContact O-CB 3.22Å; Q804-N808 WeakPolarHBondContact O-CB 3.43Å; Q804-N808 PolarHBondContact O-N 2.79Å; Q804-N808 PolarHBondContact O-ND2 3.26Å; Q804-N808 PolarHBondContact O-OD1 3.31Å; L806-N808 PolarHBondContact O-N 2.77Å; N808-V811 PolarHBondContact O-N 3.07Å; N808-Q812 WeakPolarHBondContact O-CB 3.4Å; N808-Q812 WeakPolarHBondContact O-CG 3.16Å; N808-Q812 PolarHBondContact O-N 3.29Å
809	W	96.5	Very high	92	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-38.7	173.7	-70.6	-28.8	0	0	0	112.7	M790 H793 V794 L801 R805 L806 L807 V811 Q812 I813 L837 F841 A843 M900	M790-W809 HydrophobicContact CE-CB 3.73Å; M790-W809 HydrophobicContact CE-CD2 3.54Å; M790-W809 HydrophobicContact CE-CE3 3.97Å; M790-W809 HydrophobicContact CE-CG 3.42Å; M790-W809 VanDerWaalsContact CE-CG 3.42Å; M790-W809 HydrophobicContact SD-CB 4.34Å; M790-W809 HydrophobicContact SD-CD2 4.45Å; M790-W809 HydrophobicContact SD-CE3 4.35Å; M790-W809 HydrophobicContact SD-CG 4.48Å; H793-W809 AromaticContact CD2-CH2 3.6Å; H793-W809 AromaticContact NE2-CH2 3.73Å; V794-W809 HydrophobicContact CG2-CZ3 4.11Å; L801-W809 HydrophobicContact CD2-CH2 3.76Å; L801-W809 HydrophobicContact CD2-CZ3 3.87Å; R805-W809 HydrophobicContact CG-CD2 4.36Å; R805-W809 HydrophobicContact CG-CH2 3.98Å; R805-W809 HydrophobicContact CG-CZ2 3.68Å; R805-W809 HydrophobicContact CG-CZ3 4.44Å; R805-W809 VanDerWaalsContact O-CG 3.31Å; R805-W809 PolarHBondContact O-N 3.22Å; R805-W809 VanDerWaalsContact O-N 3.11Å; L806-W809 HydrophobicContact CD2-CE3 4.16Å; L806-W809 HydrophobicContact CD2-CZ3 4.17Å; L806-W809 PolarHBondContact O-N 2.84Å; L807-W809 VanDerWaalsContact C-N 3.27Å; L807-W809 PolarHBondContact O-N 2.65Å; W809-V811 PolarHBondContact O-N 3.28Å; W809-Q812 PolarHBondContact O-N 2.78Å; W809-I813 WeakPolarHBondContact O-CD1 3.39Å; W809-I813 VanDerWaalsContact O-CG1 3.27Å; W809-I813 WeakPolarHBondContact O-CG1 3.5Å; W809-I813 PolarHBondContact O-N 3.16Å; W809-L837 HydrophobicContact CH2-CD1 4.47Å; W809-L837 HydrophobicContact CZ2-CD1 4.1Å; W809-L837 HydrophobicContact CZ2-CD2 4.03Å; W809-F841 PolarHBondContact NE1-O 3.01Å; W809-A843 HydrophobicContact CG-CB 4.4Å; W809-M900 HydrophobicContact CB-CE 3.6Å; W809-M900 HydrophobicContact CE3-CE 4.42Å
810	C	97.2	Very high	93.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.6	-46.9	172.2	-58.9	0	0	0	0	111.5	L806 L807 Q812 I813 A814 Y893 F961	L806-C810 PolarHBondContact O-N 2.92Å; L806-C810 VanDerWaalsContact O-N 3.15Å; L806-C810 PolarHBondContact O-SG 3.48Å; L806-C810 VanDerWaalsContact O-SG 3.35Å; L807-C810 WeakPolarHBondContact O-CB 3.22Å; L807-C810 PolarHBondContact O-N 2.84Å; L807-C810 VanDerWaalsContact O-N 3.14Å; C810-Q812 PolarHBondContact O-N 3.41Å; C810-I813 PolarHBondContact O-N 2.93Å; C810-A814 WeakPolarHBondContact O-CB 3.47Å; C810-A814 PolarHBondContact O-N 2.76Å; C810-Y893 PolarHBondContact O-OH 2.6Å; C810-Y893 VanDerWaalsContact O-OH 3.11Å; C810-F961 HydrophobicContact CB-CB 4.15Å; C810-F961 HydrophobicContact CB-CD1 3.52Å; C810-F961 HydrophobicContact CB-CD2 4.26Å; C810-F961 HydrophobicContact CB-CE1 3.94Å; C810-F961 HydrophobicContact CB-CG 3.71Å; C810-F961 HydrophobicContact CB-CZ 4.47Å
811	V	97.3	Very high	93.8	Very high	12 Å²	12	27.1 Å²	27.1	7%	0.073	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-44.9	174.3	175.7	0	0	0	0	112.1	L807 N808 W809 A814 K815 F961 T962 A965	L807-V811 PolarHBondContact O-N 2.04Å; N808-V811 PolarHBondContact O-N 3.07Å; W809-V811 PolarHBondContact O-N 3.28Å; V811-A814 PolarHBondContact O-N 2.62Å; V811-K815 HydrophobicContact CG1-CD 3.99Å; V811-K815 HydrophobicContact CG1-CG 4.48Å; V811-K815 WeakPolarHBondContact O-CB 3.42Å; V811-K815 WeakPolarHBondContact O-CG 3.22Å; V811-K815 PolarHBondContact O-N 2.86Å; V811-F961 HydrophobicContact CG2-CB 3.62Å; V811-F961 WeakPolarHBondContact CG2-O 3.46Å; V811-T962 WeakPolarHBondContact CG1-OG1 3.46Å; V811-A965 HydrophobicContact CG2-CB 4.45Å
812	Q	96.8	Very high	94.2	Very high	42 Å²	42	32.6 Å²	32.6	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-41.6	-178.4	-76.3	171.8	21.2	0	0	112.1	N765 N808 W809 C810 G816 A843	N765-Q812 WeakPolarHBondContact CB-O 3.43Å; N765-Q812 VanDerWaalsContact CG-O 3.32Å; N765-Q812 WeakPolarHBondContact ND2-CB 3.24Å; N765-Q812 WeakPolarHBondContact ND2-CG 3.47Å; N808-Q812 WeakPolarHBondContact O-CB 3.4Å; N808-Q812 WeakPolarHBondContact O-CG 3.16Å; N808-Q812 PolarHBondContact O-N 3.29Å; W809-Q812 PolarHBondContact O-N 2.78Å; C810-Q812 PolarHBondContact O-N 3.41Å; Q812-G816 PolarHBondContact O-N 3.17Å; Q812-A843 HydrophobicContact CB-CB 3.99Å
813	I	97.6	Very high	94.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-44.4	175.5	-61.7	160.7	0	0	0	110.1	M790 W809 C810 K815 G816 M817 L830 V835 A843 I845 Y893 M900	M790-I813 HydrophobicContact SD-CD1 4.06Å; W809-I813 WeakPolarHBondContact O-CD1 3.39Å; W809-I813 VanDerWaalsContact O-CG1 3.27Å; W809-I813 WeakPolarHBondContact O-CG1 3.5Å; W809-I813 PolarHBondContact O-N 3.16Å; C810-I813 PolarHBondContact O-N 2.93Å; I813-K815 PolarHBondContact O-N 3.34Å; I813-G816 PolarHBondContact O-N 3.43Å; I813-G816 VanDerWaalsContact O-N 3.17Å; I813-M817 HydrophobicContact CG2-CG 4.47Å; I813-M817 PolarHBondContact O-N 2.9Å; I813-L830 HydrophobicContact CG2-CD1 4.22Å; I813-V835 HydrophobicContact CD1-CG1 4.17Å; I813-V835 HydrophobicContact CD1-CG2 3.97Å; I813-V835 HydrophobicContact CG1-CG1 4.05Å; I813-V835 HydrophobicContact CG1-CG2 4.06Å; I813-A843 HydrophobicContact CG1-CB 4.3Å; I813-I845 HydrophobicContact CG2-CD1 4.18Å; I813-Y893 HydrophobicContact CB-CE2 4.07Å; I813-Y893 HydrophobicContact CG2-CD2 3.76Å; I813-Y893 HydrophobicContact CG2-CE2 3.83Å; I813-M900 HydrophobicContact CD1-CE 4.26Å; I813-M900 HydrophobicContact CD1-SD 3.7Å
814	A	97.7	Very high	94.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-42.6	177.3	0	0	0	0	0	112.3	C810 V811 M817 N818 Y893 L957 A958	C810-A814 WeakPolarHBondContact O-CB 3.47Å; C810-A814 PolarHBondContact O-N 2.76Å; V811-A814 PolarHBondContact O-N 2.62Å; A814-M817 PolarHBondContact O-N 3.5Å; A814-N818 WeakPolarHBondContact O-CB 3.48Å; A814-N818 PolarHBondContact O-N 3.36Å; A814-Y893 HydrophobicContact CB-CE2 4.04Å; A814-L957 HydrophobicContact CB-CB 4.31Å; A814-A958 HydrophobicContact CB-CB 3.84Å
815	K	97.1	Very high	94	Very high	94 Å²	94	39.7 Å²	39.7	41%	0.409	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-38.9	173.8	-73.1	177.3	179.4	177.6	0	112.9	V811 I813 Y819 A958	V811-K815 HydrophobicContact CG1-CD 3.99Å; V811-K815 HydrophobicContact CG1-CG 4.48Å; V811-K815 WeakPolarHBondContact O-CB 3.42Å; V811-K815 WeakPolarHBondContact O-CG 3.22Å; V811-K815 PolarHBondContact O-N 2.86Å; I813-K815 PolarHBondContact O-N 3.34Å; K815-Y819 PolarHBondContact O-N 2.03Å; K815-Y819 VanDerWaalsContact O-N 3.17Å; K815-A958 HydrophobicContact CG-CB 3.99Å
816	G	95.7	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-44.3	173.3	0	0	0	0	0	112.3	Q812 I813 Y819 L820	Q812-G816 PolarHBondContact O-N 3.17Å; I813-G816 PolarHBondContact O-N 3.43Å; I813-G816 VanDerWaalsContact O-N 3.17Å; G816-Y819 PolarHBondContact O-N 2.84Å; G816-L820 PolarHBondContact O-N 3.12Å
817	M	96.8	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-41.1	178	-73.9	-54.7	-50.1	0	0	113.2	I813 A814 Y819 L820 E821 H827 L830 I845 D889 F954	I813-M817 HydrophobicContact CG2-CG 4.47Å; I813-M817 PolarHBondContact O-N 2.9Å; A814-M817 PolarHBondContact O-N 3.5Å; M817-Y819 PolarHBondContact O-N 2.74Å; M817-L820 HydrophobicContact CE-CD1 4.21Å; M817-L820 WeakPolarHBondContact O-CA 3.47Å; M817-L820 WeakPolarHBondContact O-CB 3.44Å; M817-L820 PolarHBondContact O-N 2.82Å; M817-L820 HydrophobicContact SD-CD1 3.9Å; M817-E821 PolarHBondContact O-N 3.45Å; M817-H827 HydrophobicContact CE-CB 3.97Å; M817-H827 HydrophobicContact SD-CB 4.21Å; M817-L830 HydrophobicContact CG-CD2 3.85Å; M817-L830 HydrophobicContact SD-CD1 4.29Å; M817-L830 HydrophobicContact SD-CD2 3.86Å; M817-I845 HydrophobicContact CB-CD1 4.49Å; M817-I845 HydrophobicContact CG-CD1 3.7Å; M817-I845 HydrophobicContact SD-CD1 3.73Å; M817-D889 HydrophobicContact CE-CB 3.68Å; M817-F954 HydrophobicContact CB-CB 4.35Å; M817-F954 HydrophobicContact CB-CD1 3.37Å; M817-F954 HydrophobicContact CB-CD2 3.81Å; M817-F954 HydrophobicContact CB-CE1 3.41Å; M817-F954 VanDerWaalsContact CB-CE1 3.41Å; M817-F954 HydrophobicContact CB-CE2 3.85Å; M817-F954 HydrophobicContact CB-CG 3.57Å; M817-F954 HydrophobicContact CB-CZ 3.65Å; M817-F954 HydrophobicContact CE-CE2 3.8Å; M817-F954 HydrophobicContact CE-CZ 3.76Å; M817-F954 HydrophobicContact CG-CD1 4.13Å; M817-F954 HydrophobicContact CG-CE1 3.67Å; M817-F954 HydrophobicContact CG-CE2 4.43Å; M817-F954 HydrophobicContact CG-CZ 3.83Å
818	N	96.6	Very high	93.3	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-55.2	-41.4	172.5	-177.7	103.1	0	0	0	111.2	A814 E821 E822 F954 K955	A814-N818 WeakPolarHBondContact O-CB 3.48Å; A814-N818 PolarHBondContact O-N 3.36Å; N818-E821 PolarHBondContact O-N 2.8Å; N818-E822 PolarHBondContact ND2-OE1 3.11Å; N818-E822 PolarHBondContact ND2-OE2 2.8Å; N818-E822 WeakPolarHBondContact O-CB 3.49Å; N818-E822 WeakPolarHBondContact O-CG 3.48Å; N818-E822 PolarHBondContact O-N 2.99Å; N818-F954 HydrophobicContact CB-CB 3.83Å; N818-K955 WeakPolarHBondContact OD1-CA 3.21Å; N818-K955 VanDerWaalsContact OD1-CB 3.31Å; N818-K955 WeakPolarHBondContact OD1-CB 3.42Å; N818-K955 PolarHBondContact OD1-N 3.09Å
819	Y	94.7	Very high	92.9	Very high	44 Å²	44	36.5 Å²	36.5	17%	0.173	16%	0.162	C	C	.	.	H	α-helix	trans	-67.9	-32.3	175.8	177.1	-101.8	0	0	0	113.2	M761 N762 H763 V766 K815 G816 M817 N823	M761-Y819 HydrophobicContact CB-CE1 4.33Å; M761-Y819 HydrophobicContact CE-CD1 3.68Å; M761-Y819 HydrophobicContact CE-CE1 3.31Å; M761-Y819 HydrophobicContact SD-CE1 4.26Å; N762-Y819 PolarHBondContact N-OH 3.39Å; H763-Y819 HydrophobicContact CB-CD1 3.34Å; H763-Y819 HydrophobicContact CB-CD2 4.07Å; H763-Y819 HydrophobicContact CB-CE1 3.44Å; H763-Y819 VanDerWaalsContact CB-CE1 3.44Å; H763-Y819 HydrophobicContact CB-CE2 4.18Å; H763-Y819 HydrophobicContact CB-CG 3.65Å; H763-Y819 AromaticContact CG-CD1 3.99Å; H763-Y819 AromaticContact CG-CG 3.87Å; V766-Y819 HydrophobicContact CG2-CD1 4.07Å; K815-Y819 PolarHBondContact O-N 2.03Å; K815-Y819 VanDerWaalsContact O-N 3.17Å; G816-Y819 PolarHBondContact O-N 2.84Å; M817-Y819 PolarHBondContact O-N 2.74Å; Y819-N823 WeakPolarHBondContact CE2-ND2 3.02Å; Y819-N823 PolarHBondContact O-N 3.44Å; Y819-N823 PolarHBondContact O-ND2 3.28Å
820	L	92.2	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-41.6	171.2	-62.9	-176.6	0	0	0	111.3	M761 V766 G816 M817 N823 R824 I825 H827 I845 Y848	M761-L820 HydrophobicContact CE-CD2 3.62Å; V766-L820 HydrophobicContact CG1-CD2 4.41Å; V766-L820 HydrophobicContact CG2-CD2 4.3Å; G816-L820 PolarHBondContact O-N 3.12Å; M817-L820 HydrophobicContact CE-CD1 4.21Å; M817-L820 WeakPolarHBondContact O-CA 3.47Å; M817-L820 WeakPolarHBondContact O-CB 3.44Å; M817-L820 PolarHBondContact O-N 2.82Å; M817-L820 HydrophobicContact SD-CD1 3.9Å; L820-N823 CarbonylContact O-C 3.5Å; L820-N823 PolarHBondContact O-N 3.29Å; L820-R824 PolarHBondContact O-N 3.01Å; L820-I825 CarbonylContact C-O 3.58Å; L820-I825 HydrophobicContact CB-CB 4.38Å; L820-I825 PolarHBondContact O-N 3.06Å; L820-H827 HydrophobicContact CD1-CB 4.34Å; L820-I845 HydrophobicContact CD1-CG2 4.44Å; L820-Y848 HydrophobicContact CD1-CG 4.46Å; L820-Y848 HydrophobicContact CD2-CD2 4.15Å; L820-Y848 HydrophobicContact CD2-CG 4.09Å
821	E	91.9	Very high	92.5	Very high	44 Å²	44	36.4 Å²	36.4	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-47.8	176.3	174.7	167.4	-129.9	0	0	112.4	M817 N818 N823 R824 H886	M817-E821 PolarHBondContact O-N 3.45Å; N818-E821 PolarHBondContact O-N 2.8Å; E821-N823 PolarHBondContact O-N 2.77Å; E821-R824 PolarHBondContact O-N 2.91Å; E821-H886 HydrophobicContact CG-CB 4.17Å; E821-H886 VanDerWaalsContact OE1-CB 3.27Å; E821-H886 WeakPolarHBondContact OE1-CB 3.25Å; E821-H886 IonicContact OE1-CG 3.98Å
822	E	90.8	Very high	92.2	Very high	128 Å²	128	35.9 Å²	35.9	60%	0.598	16%	0.159	S	C	*	.	H	α-helix	trans	-58.4	-30.2	174	-75.2	169.6	170.6	0	0	112.8	N818	N818-E822 PolarHBondContact ND2-OE1 3.11Å; N818-E822 PolarHBondContact ND2-OE2 2.8Å; N818-E822 WeakPolarHBondContact O-CB 3.49Å; N818-E822 WeakPolarHBondContact O-CG 3.48Å; N818-E822 PolarHBondContact O-N 2.99Å
823	N	88.1	Confident	91.9	Very high	74 Å²	74	37 Å²	37	40%	0.396	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	10.8	175.9	-70.2	-90.5	0	0	0	113.4	M761 Y819 L820 E821 I825	M761-N823 HydrophobicContact CE-CB 3.52Å; M761-N823 HydrophobicContact SD-CB 3.95Å; Y819-N823 WeakPolarHBondContact CE2-ND2 3.02Å; Y819-N823 PolarHBondContact O-N 3.44Å; Y819-N823 PolarHBondContact O-ND2 3.28Å; L820-N823 CarbonylContact O-C 3.5Å; L820-N823 PolarHBondContact O-N 3.29Å; E821-N823 PolarHBondContact O-N 2.77Å; N823-I825 VanDerWaalsContact C-N 3.28Å; N823-I825 PolarHBondContact O-N 2.97Å
824	R	86.8	Confident	91.6	Very high	221 Å²	221	37.6 Å²	37.6	83%	0.834	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	26.7	176.8	-51.3	179.8	-178.5	179.8	-0.7	115.3	L820 E821	L820-R824 PolarHBondContact O-N 3.01Å; E821-R824 PolarHBondContact O-N 2.91Å
825	I	86.2	Confident	91.5	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.082	16%	0.164	C	C	.	.			trans	-96.8	123.6	175	-59.8	-174.5	0	0	0	109.6	M761 L820 N823 Y848 H886	M761-I825 HydrophobicContact CE-CD1 3.98Å; M761-I825 HydrophobicContact CG-CD1 3.83Å; M761-I825 HydrophobicContact SD-CD1 3.69Å; L820-I825 CarbonylContact C-O 3.58Å; L820-I825 HydrophobicContact CB-CB 4.38Å; L820-I825 PolarHBondContact O-N 3.06Å; N823-I825 VanDerWaalsContact C-N 3.28Å; N823-I825 PolarHBondContact O-N 2.97Å; I825-Y848 HydrophobicContact CD1-CD2 4.4Å; I825-Y848 HydrophobicContact CG2-CD2 4.39Å; I825-H886 PolarHBondContact O-CE1 3.04Å
826	V	87.6	Confident	91.3	Very high	20 Å²	20	34.7 Å²	34.7	12%	0.121	15%	0.153	C	C	.	.			trans	-90.7	133.5	169.8	-169.2	0	0	0	0	108.1	R828 D889	V826-R828 HydrophobicContact CB-CG 4.07Å; V826-R828 HydrophobicContact CG1-CG 3.66Å; V826-D889 WeakPolarHBondContact CA-OD2 3.47Å; V826-D889 WeakPolarHBondContact CG1-OD2 3Å
827	H	90.4	Very high	91.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	15%	0.153	C	C	.	.			trans	-79	-37.9	-176.8	-174.2	-9.4	0	0	0	112	M817 L820 N829 I845 S846 D847 D889	M817-H827 HydrophobicContact CE-CB 3.97Å; M817-H827 HydrophobicContact SD-CB 4.21Å; L820-H827 HydrophobicContact CD1-CB 4.34Å; H827-N829 PolarHBondContact CE1-O 3.39Å; H827-N829 PolarHBondContact O-N 3.23Å; H827-I845 WeakPolarHBondContact NE2-CG2 3.2Å; H827-S846 PolarHBondContact CE1-O 3.47Å; H827-S846 PolarHBondContact NE2-O 3.25Å; H827-D847 PolarHBondContact ND1-O 2.96Å; H827-D889 PolarHBondContact N-OD2 3.29Å
828	R	86.4	Confident	90.5	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.136	16%	0.162	C	C	.	.	S	Bend	trans	62.1	0.7	175.1	-56.7	178.8	163.7	-156.4	-14.1	115.5	V826 A851 D852 D858 Y884 D889	V826-R828 HydrophobicContact CB-CG 4.07Å; V826-R828 HydrophobicContact CG1-CG 3.66Å; R828-A851 HydrophobicContact CB-CB 4.07Å; R828-D852 VanDerWaalsContact CD-OD1 3.24Å; R828-D852 WeakPolarHBondContact CD-OD1 3.39Å; R828-D852 IonicContact CZ-OD1 3.44Å; R828-D852 IonicContact NE-OD1 2.82Å; R828-D852 PolarHBondContact NE-OD1 2.84Å; R828-D852 IonicContact NH1-OD1 3.72Å; R828-D852 PolarHBondContact NH1-OD1 3.25Å; R828-D858 IonicContact CZ-OD2 3.58Å; R828-D858 IonicContact NH1-OD1 3.12Å; R828-D858 PolarHBondContact NH1-OD1 2.76Å; R828-D858 IonicContact NH1-OD2 3.39Å; R828-D858 PolarHBondContact NH1-OD2 3.5Å; R828-D858 IonicContact NH2-OD1 2.7Å; R828-D858 IonicContact NH2-OD2 3.62Å; R828-D858 PolarHBondContact NH2-OD2 3.15Å; R828-Y884 HydrophobicContact CB-CD1 4.39Å; R828-Y884 HydrophobicContact CG-CD1 4.07Å; R828-Y884 HydrophobicContact CG-CG 4.11Å; R828-D889 PolarHBondContact N-OD1 3.18Å
829	N	85.8	Confident	89.6	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.032	19%	0.185	C	C	.	.			trans	-158.8	42.6	179.7	-173.2	25	0	0	0	112.1	F715 H827 A831 R833 N834	F715-N829 HydrophobicContact CE2-CB 3.9Å; F715-N829 WeakPolarHBondContact CE2-ND2 3.27Å; F715-N829 HydrophobicContact CZ-CB 4.45Å; H827-N829 PolarHBondContact CE1-O 3.39Å; H827-N829 PolarHBondContact O-N 3.23Å; N829-A831 PolarHBondContact O-N 2.98Å; N829-R833 PolarHBondContact OD1-NH2 2.87Å; N829-N834 PolarHBondContact ND2-ND2 2.86Å; N829-N834 PolarHBondContact O-ND2 2.91Å
830	L	92.8	Very high	89.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.			trans	-70.9	125.3	175.4	-179.3	62	0	0	0	110.7	I813 M817 V835 Y893 T896	I813-L830 HydrophobicContact CG2-CD1 4.22Å; M817-L830 HydrophobicContact CG-CD2 3.85Å; M817-L830 HydrophobicContact SD-CD1 4.29Å; M817-L830 HydrophobicContact SD-CD2 3.86Å; L830-V835 HydrophobicContact CD1-CG2 4.4Å; L830-Y893 HydrophobicContact CD2-CD2 4.3Å; L830-T896 PolarHBondContact O-OG1 3.36Å
831	A	92.6	Very high	88.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.			trans	-164.1	159.2	-179.8	0	0	0	0	0	110.2	N829 R833 N834 V835 W873 T896	N829-A831 PolarHBondContact O-N 2.98Å; A831-R833 HydrophobicContact CB-CG 3.63Å; A831-R833 PolarHBondContact O-N 3.15Å; A831-R833 VanDerWaalsContact O-N 3.07Å; A831-N834 PolarHBondContact O-N 2.88Å; A831-V835 PolarHBondContact O-N 3.06Å; A831-W873 HydrophobicContact CB-CD2 4.38Å; A831-W873 HydrophobicContact CB-CG 4.16Å; A831-T896 VanDerWaalsContact CA-OG1 3.28Å; A831-T896 WeakPolarHBondContact CA-OG1 3.48Å; A831-T896 PolarHBondContact N-OG1 2.74Å
832	A	92.6	Very high	88.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.7	-176.1	0	0	0	0	0	113.7	L791 N834 T896 E899 M900	L791-A832 HydrophobicContact CB-CB 4.04Å; L791-A832 PolarHBondContact N-O 3.14Å; A832-N834 VanDerWaalsContact C-N 3.31Å; A832-T896 HydrophobicContact CB-CG2 4.39Å; A832-E899 HydrophobicContact CB-CB 4.49Å; A832-E899 HydrophobicContact CB-CG 3.9Å; A832-E899 WeakPolarHBondContact CB-OE2 3.42Å; A832-E899 PolarHBondContact N-OE2 2.69Å; A832-M900 HydrophobicContact CB-CG 4.46Å
833	R	90.1	Very high	88.9	Confident	67 Å²	67	40.8 Å²	40.8	25%	0.253	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.3	170.1	51	166.4	-177.1	-85.5	-3.7	114.1	L791 N829 A831 W873	L791-R833 HydrophobicContact CD2-CB 4.05Å; N829-R833 PolarHBondContact OD1-NH2 2.87Å; A831-R833 HydrophobicContact CB-CG 3.63Å; A831-R833 PolarHBondContact O-N 3.15Å; A831-R833 VanDerWaalsContact O-N 3.07Å; R833-W873 VanDerWaalsContact NH1-CE2 3.34Å
834	N	91	Very high	89.2	Confident	12 Å²	12	38.9 Å²	38.9	6%	0.064	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-3.7	-174.4	-65.1	-4.4	0	0	0	112.4	N829 A831 A832 S846	N829-N834 PolarHBondContact ND2-ND2 2.86Å; N829-N834 PolarHBondContact O-ND2 2.91Å; A831-N834 PolarHBondContact O-N 2.88Å; A832-N834 VanDerWaalsContact C-N 3.31Å; N834-S846 WeakPolarHBondContact O-CB 3.41Å; N834-S846 PolarHBondContact O-N 3.45Å; N834-S846 PolarHBondContact O-OG 2.97Å
835	V	94.6	Very high	89.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.8	165.4	-177.2	0	0	0	0	107.8	M790 I813 L830 A831 A843	M790-V835 HydrophobicContact CB-CB 4.04Å; M790-V835 HydrophobicContact CB-CG1 4.18Å; M790-V835 WeakPolarHBondContact CB-O 3.02Å; M790-V835 HydrophobicContact CE-CG1 3.73Å; M790-V835 PolarHBondContact N-O 2.98Å; M790-V835 HydrophobicContact SD-CB 4.39Å; M790-V835 HydrophobicContact SD-CG1 4.01Å; I813-V835 HydrophobicContact CD1-CG1 4.17Å; I813-V835 HydrophobicContact CD1-CG2 3.97Å; I813-V835 HydrophobicContact CG1-CG1 4.05Å; I813-V835 HydrophobicContact CG1-CG2 4.06Å; L830-V835 HydrophobicContact CD1-CG2 4.4Å; A831-V835 PolarHBondContact O-N 3.06Å; V835-A843 HydrophobicContact CG1-CB 3.81Å
836	L	93	Very high	89.7	Confident	34 Å²	34	28.3 Å²	28.3	18%	0.178	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	156.4	178.5	-54.8	-173.3	0	0	0	110.9	V767 S785 G788 Q844	V767-L836 HydrophobicContact CG2-CB 4.37Å; V767-L836 HydrophobicContact CG2-CD1 4.23Å; V767-L836 HydrophobicContact CG2-CG 4.48Å; S785-L836 WeakPolarHBondContact OG-CD1 3Å; G788-L836 WeakPolarHBondContact O-CA 3.36Å; L836-Q844 PolarHBondContact N-O 3.01Å; L836-Q844 PolarHBondContact O-N 2.89Å
837	L	91.4	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	177.2	-70.9	168.5	0	0	0	110.8	Q787 G788 M790 H793 W809 F841 A843	Q787-L837 HydrophobicContact CB-CB 3.62Å; Q787-L837 WeakPolarHBondContact CB-O 3.29Å; Q787-L837 PolarHBondContact N-O 3.32Å; G788-L837 PolarHBondContact O-N 2.85Å; M790-L837 HydrophobicContact CE-CD2 3.84Å; M790-L837 HydrophobicContact CE-CG 4.33Å; H793-L837 HydrophobicContact CB-CD1 3.66Å; W809-L837 HydrophobicContact CH2-CD1 4.47Å; W809-L837 HydrophobicContact CZ2-CD1 4.1Å; W809-L837 HydrophobicContact CZ2-CD2 4.03Å; L837-F841 WeakPolarHBondContact CD2-O 3.46Å; L837-A843 HydrophobicContact CD2-CB 4.45Å
838	N	84.8	Confident	89.2	Confident	34 Å²	34	28.1 Å²	28.1	18%	0.182	14%	0.141	C	C	.	.			trans	-91.3	-178.9	174.7	72.3	14.3	0	0	0	112.5	Q787 N840 F841 T842	Q787-N838 VanDerWaalsContact CG-O 3.24Å; Q787-N838 WeakPolarHBondContact CG-O 3.42Å; N838-N840 PolarHBondContact O-N 3.21Å; N838-N840 PolarHBondContact OD1-N 2.93Å; N838-F841 PolarHBondContact O-N 3.42Å; N838-F841 PolarHBondContact OD1-N 2.88Å; N838-T842 PolarHBondContact N-O 2.95Å; N838-T842 WeakPolarHBondContact OD1-CB 3.32Å; N838-T842 PolarHBondContact OD1-N 3.01Å; N838-T842 PolarHBondContact OD1-OG1 3.16Å
839	D	78.5	Confident	88.5	Confident	116 Å²	116	26.6 Å²	26.6	62%	0.62	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-30.3	-178.8	-62.3	-50	0	0	0	113.9	S786	S786-D839 WeakPolarHBondContact CB-OD1 3.35Å; S786-D839 PolarHBondContact OG-N 3.37Å; S786-D839 PolarHBondContact OG-OD1 2.85Å
840	N	83.3	Confident	88.1	Confident	132 Å²	132	26.3 Å²	26.3	71%	0.706	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	20.3	-178.8	-61.6	-3.3	0	0	0	112.3	N838 T842	N838-N840 PolarHBondContact O-N 3.21Å; N838-N840 PolarHBondContact OD1-N 2.93Å; N840-T842 PolarHBondContact O-N 3Å
841	F	85.8	Confident	87	Confident	61 Å²	61	26.5 Å²	26.5	27%	0.268	14%	0.136	S	C	.	.			trans	50.4	27.7	-174.5	-57.2	-76	0	0	0	114.6	Q787 H793 W809 L837 N838	Q787-F841 HydrophobicContact CB-CE1 4.46Å; Q787-F841 HydrophobicContact CG-CD1 4.07Å; Q787-F841 HydrophobicContact CG-CE1 3.79Å; Q787-F841 HydrophobicContact CG-CZ 4.48Å; H793-F841 AromaticContact CE1-CD1 3.85Å; H793-F841 AromaticContact CE1-CE1 3.62Å; W809-F841 PolarHBondContact NE1-O 3.01Å; L837-F841 WeakPolarHBondContact CD2-O 3.46Å; N838-F841 PolarHBondContact O-N 3.42Å; N838-F841 PolarHBondContact OD1-N 2.88Å
842	T	90.4	Very high	86	Confident	24 Å²	24	27.9 Å²	27.9	15%	0.147	14%	0.143	C	C	.	.			trans	-80.8	130.4	174.8	-48.9	0	0	0	0	109.4	I764 N838 N840	I764-T842 HydrophobicContact CG1-CG2 4.43Å; N838-T842 PolarHBondContact N-O 2.95Å; N838-T842 WeakPolarHBondContact OD1-CB 3.32Å; N838-T842 PolarHBondContact OD1-N 3.01Å; N838-T842 PolarHBondContact OD1-OG1 3.16Å; N840-T842 PolarHBondContact O-N 3Å
843	A	94.9	Very high	84.9	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.2	176.2	0	0	0	0	0	110.9	N765 M790 W809 Q812 I813 V835 L837	N765-A843 WeakPolarHBondContact CA-O 3.49Å; N765-A843 PolarHBondContact ND2-O 3.16Å; M790-A843 HydrophobicContact CE-CB 3.64Å; W809-A843 HydrophobicContact CG-CB 4.4Å; Q812-A843 HydrophobicContact CB-CB 3.99Å; I813-A843 HydrophobicContact CG1-CB 4.3Å; V835-A843 HydrophobicContact CG1-CB 3.81Å; L837-A843 HydrophobicContact CD2-CB 4.45Å
844	Q	94.1	Very high	83.8	Confident	35 Å²	35	25.4 Å²	25.4	16%	0.164	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.4	179.7	-50.9	-166	-82.8	0	0	110.4	I764 N765 V767 L836	I764-Q844 PolarHBondContact O-NE2 2.8Å; N765-Q844 WeakPolarHBondContact O-CA 3.29Å; V767-Q844 HydrophobicContact CG2-CB 3.48Å; V767-Q844 VanDerWaalsContact CG2-CB 3.48Å; L836-Q844 PolarHBondContact N-O 3.01Å; L836-Q844 PolarHBondContact O-N 2.89Å
845	I	94.4	Very high	82.5	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.5	-177.8	-57.9	176	0	0	0	110.2	N765 V767 I813 M817 L820 H827	N765-I845 PolarHBondContact O-N 2.75Å; V767-I845 PolarHBondContact N-O 2.89Å; I813-I845 HydrophobicContact CG2-CD1 4.18Å; M817-I845 HydrophobicContact CB-CD1 4.49Å; M817-I845 HydrophobicContact CG-CD1 3.7Å; M817-I845 HydrophobicContact SD-CD1 3.73Å; L820-I845 HydrophobicContact CD1-CG2 4.44Å; H827-I845 WeakPolarHBondContact NE2-CG2 3.2Å
846	S	89.7	Confident	80.7	Confident	13 Å²	13	29.9 Å²	29.9	9%	0.091	16%	0.16	C	C	.	.			trans	-119.3	172.2	174.5	70.6	0	0	0	0	111.3	H827 N834 Y848	H827-S846 PolarHBondContact CE1-O 3.47Å; H827-S846 PolarHBondContact NE2-O 3.25Å; N834-S846 WeakPolarHBondContact O-CB 3.41Å; N834-S846 PolarHBondContact O-N 3.45Å; N834-S846 PolarHBondContact O-OG 2.97Å; S846-Y848 PolarHBondContact O-N 3.17Å
847	D	81.6	Confident	79	Confident	13 Å²	13	35.3 Å²	35.3	7%	0.07	19%	0.188	C	C	.	.			trans	61.8	18.8	180	-63	-14.3	0	0	0	116.3	R737 H827 V850	R737-D847 IonicContact CZ-OD1 3.63Å; R737-D847 IonicContact CZ-OD2 3.16Å; R737-D847 IonicContact NE-OD1 2.94Å; R737-D847 IonicContact NH1-OD1 3.15Å; R737-D847 PolarHBondContact NH1-OD1 2.8Å; R737-D847 IonicContact NH1-OD2 2.66Å; R737-D847 PolarHBondContact NH1-OD2 2.86Å; R737-D847 IonicContact NH2-OD1 3.38Å; R737-D847 IonicContact NH2-OD2 2.78Å; R737-D847 PolarHBondContact NH2-OD2 3.38Å; H827-D847 PolarHBondContact ND1-O 2.96Å; D847-V850 HydrophobicContact CB-CG2 4.43Å
848	Y	84.6	Confident	77.3	Confident	5 Å²	5	38.7 Å²	38.7	2%	0.02	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	143.5	167.6	63.9	-89	0	0	0	110.8	M758 M761 V766 V767 T769 L820 I825 S846 V850	M758-Y848 HydrophobicContact CB-CE2 4.06Å; M758-Y848 VanDerWaalsContact CE-O 3.26Å; M758-Y848 WeakPolarHBondContact CE-O 3.17Å; M758-Y848 HydrophobicContact CG-CD2 4.23Å; M758-Y848 HydrophobicContact CG-CE2 4.06Å; M758-Y848 PolarHBondContact O-OH 3.1Å; M761-Y848 HydrophobicContact CB-CE2 3.99Å; M761-Y848 HydrophobicContact CG-CD2 4.4Å; M761-Y848 HydrophobicContact CG-CE2 3.66Å; V766-Y848 HydrophobicContact CG1-CD1 3.74Å; V766-Y848 HydrophobicContact CG1-CE1 3.39Å; V767-Y848 WeakPolarHBondContact O-CE1 3.4Å; T769-Y848 PolarHBondContact OG1-OH 3.16Å; L820-Y848 HydrophobicContact CD1-CG 4.46Å; L820-Y848 HydrophobicContact CD2-CD2 4.15Å; L820-Y848 HydrophobicContact CD2-CG 4.09Å; I825-Y848 HydrophobicContact CD1-CD2 4.4Å; I825-Y848 HydrophobicContact CG2-CD2 4.39Å; S846-Y848 PolarHBondContact O-N 3.17Å; Y848-V850 PolarHBondContact O-N 3.1Å
849	G	73.3	Confident	75.7	Confident	4 Å²	4	46.3 Å²	46.3	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-12.5	178.1	0	0	0	0	0	117.3	M758 A851 D852 L853	M758-G849 VanDerWaalsContact SD-C 3.56Å; G849-A851 PolarHBondContact O-N 2.89Å; G849-A851 VanDerWaalsContact O-N 3.15Å; G849-D852 PolarHBondContact O-N 3.18Å; G849-L853 PolarHBondContact O-N 3.33Å
850	V	76	Confident	74.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-28.3	-175.8	176.1	0	0	0	0	113.2	F715 I739 M758 L780 D847 Y848	F715-V850 HydrophobicContact CB-CG1 3.93Å; F715-V850 HydrophobicContact CD2-CG1 4.03Å; F715-V850 HydrophobicContact CG-CG1 4.11Å; I739-V850 HydrophobicContact CD1-CG1 4.16Å; I739-V850 HydrophobicContact CG1-CG1 4.5Å; M758-V850 HydrophobicContact CE-CG2 3.97Å; L780-V850 HydrophobicContact CD2-CG2 4.17Å; D847-V850 HydrophobicContact CB-CG2 4.43Å; Y848-V850 PolarHBondContact O-N 3.1Å
851	A	70.9	Confident	72.5	Confident	3 Å²	3	47.8 Å²	47.8	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-36.3	176.1	0	0	0	0	0	112.5	F715 R828 G849 L854 Y855 F862	F715-A851 HydrophobicContact CZ-CB 4.15Å; R828-A851 HydrophobicContact CB-CB 4.07Å; G849-A851 PolarHBondContact O-N 2.89Å; G849-A851 VanDerWaalsContact O-N 3.15Å; A851-L854 PolarHBondContact O-N 3.06Å; A851-Y855 PolarHBondContact O-N 3.29Å; A851-F862 HydrophobicContact CB-CZ 4.45Å
852	D	71	Confident	70.7	Confident	30 Å²	30	47.3 Å²	47.3	16%	0.16	23%	0.234	C	C	.	.	H	α-helix	trans	-77.7	-32.3	-172.2	-53.5	-29.1	0	0	0	111.2	Q754 R828 G849 L854 Y855	Q754-D852 PolarHBondContact NE2-O 3.12Å; Q754-D852 PolarHBondContact OE1-O 2.87Å; R828-D852 VanDerWaalsContact CD-OD1 3.24Å; R828-D852 WeakPolarHBondContact CD-OD1 3.39Å; R828-D852 IonicContact CZ-OD1 3.44Å; R828-D852 IonicContact NE-OD1 2.82Å; R828-D852 PolarHBondContact NE-OD1 2.84Å; R828-D852 IonicContact NH1-OD1 3.72Å; R828-D852 PolarHBondContact NH1-OD1 3.25Å; G849-D852 PolarHBondContact O-N 3.18Å; D852-L854 PolarHBondContact O-N 3.47Å; D852-Y855 CarbonylContact O-C 3.19Å; D852-Y855 PolarHBondContact O-N 2.03Å
853	L	70	Confident	68.6	Low	8 Å²	8	48.7 Å²	48.7	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-27.6	170.8	-64.8	-177.7	0	0	0	113.7	Q754 M755 M758 F772 L778 G849	Q754-L853 HydrophobicContact CB-CD2 3.62Å; M755-L853 HydrophobicContact CB-CD2 4.41Å; M755-L853 HydrophobicContact CE-CD2 4.31Å; M755-L853 HydrophobicContact CG-CD1 4.38Å; M755-L853 HydrophobicContact CG-CD2 3.44Å; M755-L853 VanDerWaalsContact CG-CD2 3.44Å; M758-L853 HydrophobicContact CE-CD1 4.04Å; M758-L853 HydrophobicContact SD-CD1 3.6Å; M758-L853 VanDerWaalsContact SD-CD1 3.6Å; M758-L853 HydrophobicContact SD-CD2 4.33Å; M758-L853 HydrophobicContact SD-CG 3.88Å; F772-L853 HydrophobicContact CE1-CD1 4.4Å; L778-L853 HydrophobicContact CD2-CD1 4.05Å; G849-L853 PolarHBondContact O-N 3.33Å
854	L	66	Low	66	Low	7 Å²	7	56.3 Å²	56.3	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-91.5	-31.5	-179.2	-79	164.5	0	0	0	112.4	F715 I739 D741 F748 A851 D852	F715-L854 HydrophobicContact CB-CD1 4.33Å; F715-L854 HydrophobicContact CD1-CD1 3.85Å; F715-L854 HydrophobicContact CG-CD1 4.37Å; I739-L854 HydrophobicContact CG2-CD1 4.05Å; I739-L854 HydrophobicContact CG2-CD2 3.68Å; I739-L854 HydrophobicContact CG2-CG 3.94Å; D741-L854 HydrophobicContact CB-CD2 4.47Å; F748-L854 HydrophobicContact CZ-CD2 4.2Å; A851-L854 PolarHBondContact O-N 3.06Å; D852-L854 PolarHBondContact O-N 3.47Å
855	Y	63.4	Low	63.4	Low	42 Å²	42	61.2 Å²	61.2	17%	0.165	30%	0.302	C	S	.	.			trans	-140.2	69.3	-169.7	-56.7	-86.6	0	0	0	112.3	T743 A851 D852 D857 F862	T743-Y855 HydrophobicContact CG2-CE1 4.23Å; A851-Y855 PolarHBondContact O-N 3.29Å; D852-Y855 CarbonylContact O-C 3.19Å; D852-Y855 PolarHBondContact O-N 2.03Å; Y855-D857 VanDerWaalsContact C-N 3.3Å; Y855-D857 PolarHBondContact O-N 2.8Å; Y855-F862 HydrophobicContact CD1-CD2 4.27Å; Y855-F862 HydrophobicContact CD1-CE2 4.33Å; Y855-F862 HydrophobicContact CD2-CD1 4.41Å; Y855-F862 AromaticContact CD2-CD2 3.95Å; Y855-F862 HydrophobicContact CD2-CD2 3.95Å; Y855-F862 AromaticContact CD2-CE1 3.78Å; Y855-F862 HydrophobicContact CD2-CE1 3.78Å; Y855-F862 AromaticContact CD2-CE2 3.25Å; Y855-F862 HydrophobicContact CD2-CE2 3.25Å; Y855-F862 HydrophobicContact CD2-CG 4.49Å; Y855-F862 AromaticContact CD2-CZ 3.15Å; Y855-F862 HydrophobicContact CD2-CZ 3.15Å; Y855-F862 HydrophobicContact CE2-CD1 4.03Å; Y855-F862 HydrophobicContact CE2-CD2 4.34Å; Y855-F862 AromaticContact CE2-CE1 3.48Å; Y855-F862 HydrophobicContact CE2-CE1 3.48Å; Y855-F862 VanDerWaalsContact CE2-CE1 3.48Å; Y855-F862 AromaticContact CE2-CE2 3.85Å; Y855-F862 HydrophobicContact CE2-CE2 3.85Å; Y855-F862 HydrophobicContact CE2-CG 4.44Å; Y855-F862 AromaticContact CE2-CZ 3.39Å; Y855-F862 HydrophobicContact CE2-CZ 3.39Å; Y855-F862 AromaticContact CG-CD2 3.91Å; Y855-F862 HydrophobicContact CG-CD2 3.91Å; Y855-F862 AromaticContact CG-CE2 3.53Å; Y855-F862 HydrophobicContact CG-CE2 3.53Å; Y855-F862 AromaticContact CG-CZ 3.95Å; Y855-F862 HydrophobicContact CG-CZ 3.95Å
856	P	57.8	Low	61	Low	65 Å²	65	63.6 Å²	63.6	42%	0.422	33%	0.327	S	S	.	.	S	Bend	trans	-66.7	-27.6	178.8	26.3	-34.9	0	0	0	113.7	D858	P856-D858 PolarHBondContact O-N 2.87Å
857	D	57.2	Low	58.9	Low	147 Å²	147	70.7 Å²	70.7	79%	0.786	36%	0.356	S	S	*	.	S	Bend	trans	-93.1	91.6	175.1	-73.6	-53.4	0	0	0	111.3	Y855 K859	Y855-D857 VanDerWaalsContact C-N 3.3Å; Y855-D857 PolarHBondContact O-N 2.8Å; D857-K859 PolarHBondContact O-N 3.03Å
858	D	55.4	Low	57.8	Low	71 Å²	71	71.5 Å²	71.5	38%	0.38	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	35.2	-162.9	-131.5	-6.7	0	0	0	115.9	R828 P856	R828-D858 IonicContact CZ-OD2 3.58Å; R828-D858 IonicContact NH1-OD1 3.12Å; R828-D858 PolarHBondContact NH1-OD1 2.76Å; R828-D858 IonicContact NH1-OD2 3.39Å; R828-D858 PolarHBondContact NH1-OD2 3.5Å; R828-D858 IonicContact NH2-OD1 2.7Å; R828-D858 IonicContact NH2-OD2 3.62Å; R828-D858 PolarHBondContact NH2-OD2 3.15Å; P856-D858 PolarHBondContact O-N 2.87Å
859	K	50.9	Low	56.6	Low	195 Å²	195	75 Å²	75	85%	0.848	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-5	-167.1	-87	-171.7	177.2	176.3	0	121	D857	D857-K859 PolarHBondContact O-N 3.03Å
860	K	46.7	Very low	56.5	Low	197 Å²	197	75.5 Å²	75.5	86%	0.857	39%	0.387	S	S	*	.	S	Bend	trans	-136.7	-49.5	-179.8	-70.3	-166	174.2	-179.4	0	120.2
861	N	49.4	Very low	56.7	Low	81 Å²	81	76.4 Å²	76.4	43%	0.433	39%	0.391	S	S	.	.			trans	-114.4	35.5	-153.3	-76.9	10.7	0	0	0	117.7
862	F	47.9	Very low	57.5	Low	51 Å²	51	76.7 Å²	76.7	22%	0.224	39%	0.392	C	S	.	.	S	Bend	trans	-89	-21	-179.5	-118.4	-61.2	0	0	0	115.4	F715 A851 Y855	F715-F862 HydrophobicContact CE1-CE1 4.29Å; A851-F862 HydrophobicContact CB-CZ 4.45Å; Y855-F862 HydrophobicContact CD1-CD2 4.27Å; Y855-F862 HydrophobicContact CD1-CE2 4.33Å; Y855-F862 HydrophobicContact CD2-CD1 4.41Å; Y855-F862 AromaticContact CD2-CD2 3.95Å; Y855-F862 HydrophobicContact CD2-CD2 3.95Å; Y855-F862 AromaticContact CD2-CE1 3.78Å; Y855-F862 HydrophobicContact CD2-CE1 3.78Å; Y855-F862 AromaticContact CD2-CE2 3.25Å; Y855-F862 HydrophobicContact CD2-CE2 3.25Å; Y855-F862 HydrophobicContact CD2-CG 4.49Å; Y855-F862 AromaticContact CD2-CZ 3.15Å; Y855-F862 HydrophobicContact CD2-CZ 3.15Å; Y855-F862 HydrophobicContact CE2-CD1 4.03Å; Y855-F862 HydrophobicContact CE2-CD2 4.34Å; Y855-F862 AromaticContact CE2-CE1 3.48Å; Y855-F862 HydrophobicContact CE2-CE1 3.48Å; Y855-F862 VanDerWaalsContact CE2-CE1 3.48Å; Y855-F862 AromaticContact CE2-CE2 3.85Å; Y855-F862 HydrophobicContact CE2-CE2 3.85Å; Y855-F862 HydrophobicContact CE2-CG 4.44Å; Y855-F862 AromaticContact CE2-CZ 3.39Å; Y855-F862 HydrophobicContact CE2-CZ 3.39Å; Y855-F862 AromaticContact CG-CD2 3.91Å; Y855-F862 HydrophobicContact CG-CD2 3.91Å; Y855-F862 AromaticContact CG-CE2 3.53Å; Y855-F862 HydrophobicContact CG-CE2 3.53Å; Y855-F862 AromaticContact CG-CZ 3.95Å; Y855-F862 HydrophobicContact CG-CZ 3.95Å
863	F	44.8	Very low	58.5	Low	54 Å²	54	76 Å²	76	24%	0.237	39%	0.387	C	S	.	.			trans	-142.6	78.4	-175.5	-83	-93	0	0	0	112.7	T868 I871 R882	F863-T868 VanDerWaalsContact CE1-CB 3.4Å; F863-T868 HydrophobicContact CE1-CG2 4.1Å; F863-T868 VanDerWaalsContact CE1-OG1 3.26Å; F863-T868 WeakPolarHBondContact CE1-OG1 3.41Å; F863-T868 HydrophobicContact CZ-CG2 3.93Å; F863-I871 HydrophobicContact CE1-CD1 3.79Å; F863-I871 HydrophobicContact CE1-CG1 3.88Å; F863-I871 HydrophobicContact CZ-CD1 4.29Å; F863-I871 HydrophobicContact CZ-CG1 3.87Å; F863-R882 VanDerWaalsContact CD2-CZ 3.48Å; F863-R882 VanDerWaalsContact CD2-NH2 3.31Å
864	N	39.9	Very low	59.4	Low	160 Å²	160	76.2 Å²	76.2	86%	0.856	39%	0.388	S	S	*	.	S	Bend	trans	-99.3	142.8	144.3	-90.3	-8.8	0	0	0	107.9
865	E	41	Very low	60.6	Low	138 Å²	138	75.9 Å²	75.9	65%	0.645	39%	0.386	S	S	*	.	S	Bend	trans	62.9	119.9	-174.1	-61.3	-170.1	-158	0	0	116.9	K867	E865-K867 VanDerWaalsContact C-N 3.28Å; E865-K867 PolarHBondContact O-N 3.02Å; E865-K867 IonicContact OE2-NZ 2.86Å; E865-K867 PolarHBondContact OE2-NZ 3.13Å
866	G	43.8	Very low	61.9	Low	51 Å²	51	74.6 Å²	74.6	53%	0.526	38%	0.382	S	S	.	.	S	Bend	trans	-74.4	65.5	-178.4	0	0	0	0	0	114.9	Q914	G866-Q914 PolarHBondContact O-NE2 3.46Å; G866-Q914 VanDerWaalsContact O-NE2 3.12Å
867	K	46.3	Very low	63.3	Low	163 Å²	163	72.1 Å²	72.1	71%	0.709	37%	0.365	S	S	*	.			trans	-124.9	8.9	177.7	-69.4	174.3	-174.9	145.3	0	114.1	E865 P869	E865-K867 VanDerWaalsContact C-N 3.28Å; E865-K867 PolarHBondContact O-N 3.02Å; E865-K867 IonicContact OE2-NZ 2.86Å; E865-K867 PolarHBondContact OE2-NZ 3.13Å; K867-P869 VanDerWaalsContact O-CD 3.32Å; K867-P869 WeakPolarHBondContact O-CD 3.27Å
868	T	56.5	Low	64.7	Low	30 Å²	30	65.3 Å²	65.3	18%	0.184	33%	0.329	C	S	.	.			trans	-86.5	112	-175.1	-37.6	0	0	0	0	111.2	F863 I870	F863-T868 VanDerWaalsContact CE1-CB 3.4Å; F863-T868 HydrophobicContact CE1-CG2 4.1Å; F863-T868 VanDerWaalsContact CE1-OG1 3.26Å; F863-T868 WeakPolarHBondContact CE1-OG1 3.41Å; F863-T868 HydrophobicContact CZ-CG2 3.93Å; T868-I870 HydrophobicContact CG2-CD1 4.45Å; T868-I870 HydrophobicContact CG2-CG1 4.32Å; T868-I870 PolarHBondContact O-N 3.03Å
869	P	59.4	Low	66.1	Low	78 Å²	78	62.7 Å²	62.7	51%	0.506	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-74.7	-4.8	-173.2	30.8	-36.7	0	0	0	114.4	K867 W873	K867-P869 VanDerWaalsContact O-CD 3.32Å; K867-P869 WeakPolarHBondContact O-CD 3.27Å; P869-W873 WeakPolarHBondContact O-CZ3 3.41Å
870	I	71.8	Confident	67.5	Low	15 Å²	15	56.7 Å²	56.7	8%	0.077	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-73.5	-27.1	-173.2	-53.3	176.8	0	0	0	112.5	A714 F715 T868 K872 W873 M874	A714-I870 HydrophobicContact CB-CD1 3.78Å; A714-I870 HydrophobicContact CB-CG1 4.09Å; F715-I870 HydrophobicContact CE1-CD1 4.42Å; F715-I870 HydrophobicContact CE2-CD1 4.45Å; F715-I870 HydrophobicContact CZ-CD1 3.99Å; T868-I870 HydrophobicContact CG2-CD1 4.45Å; T868-I870 HydrophobicContact CG2-CG1 4.32Å; T868-I870 PolarHBondContact O-N 3.03Å; I870-K872 PolarHBondContact O-N 2.93Å; I870-W873 PolarHBondContact O-N 3.08Å; I870-M874 HydrophobicContact CG2-CG 3.98Å; I870-M874 HydrophobicContact CG2-SD 4.2Å
871	I	81.3	Confident	69	Low	19 Å²	19	54.7 Å²	54.7	10%	0.097	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-46.6	-41.1	-170.8	-60	175.7	0	0	0	112.9	F863 W873 M874 I879 P913 V916	F863-I871 HydrophobicContact CE1-CD1 3.79Å; F863-I871 HydrophobicContact CE1-CG1 3.88Å; F863-I871 HydrophobicContact CZ-CD1 4.29Å; F863-I871 HydrophobicContact CZ-CG1 3.87Å; I871-W873 PolarHBondContact O-N 3.24Å; I871-W873 VanDerWaalsContact O-N 3.08Å; I871-M874 PolarHBondContact O-N 3.28Å; I871-I879 HydrophobicContact CG2-CD1 3.87Å; I871-I879 HydrophobicContact CG2-CG1 4.18Å; I871-I879 HydrophobicContact CG2-CG2 4.4Å; I871-P913 HydrophobicContact CB-CB 4.36Å; I871-P913 HydrophobicContact CD1-CB 3.96Å; I871-V916 HydrophobicContact CG2-CB 4.37Å
872	K	88.1	Confident	70.3	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.035	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-61.5	-15.4	-177.2	-72.2	174.5	156.9	-149.6	0	115.6	I870 E906 P907 Y908 M911 V916	I870-K872 PolarHBondContact O-N 2.93Å; K872-E906 IonicContact NZ-OE1 2.79Å; K872-E906 PolarHBondContact NZ-OE1 2.04Å; K872-P907 HydrophobicContact CB-CB 4.39Å; K872-P907 VanDerWaalsContact CD-O 3.28Å; K872-P907 WeakPolarHBondContact CD-O 3.36Å; K872-P907 WeakPolarHBondContact CE-O 3.39Å; K872-P907 PolarHBondContact NZ-O 2.86Å; K872-Y908 HydrophobicContact CB-CD2 4.38Å; K872-Y908 WeakPolarHBondContact CE-O 3.33Å; K872-Y908 HydrophobicContact CG-CD2 4.46Å; K872-Y908 PolarHBondContact NZ-O 3.25Å; K872-M911 WeakPolarHBondContact CE-O 3Å; K872-M911 PolarHBondContact NZ-O 3.08Å; K872-V916 HydrophobicContact CG-CG2 4.15Å
873	W	91.4	Very high	71.8	Confident	15 Å²	15	57.5 Å²	57.5	6%	0.057	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-104.3	-13.9	174.3	-69.3	-105.7	0	0	0	113.1	A831 R833 P869 I870 I871 S892 V895 E899 E906 P907	A831-W873 HydrophobicContact CB-CD2 4.38Å; A831-W873 HydrophobicContact CB-CG 4.16Å; R833-W873 VanDerWaalsContact NH1-CE2 3.34Å; P869-W873 WeakPolarHBondContact O-CZ3 3.41Å; I870-W873 PolarHBondContact O-N 3.08Å; I871-W873 PolarHBondContact O-N 3.24Å; I871-W873 VanDerWaalsContact O-N 3.08Å; W873-S892 WeakPolarHBondContact O-CA 3.48Å; W873-S892 PolarHBondContact O-OG 2.81Å; W873-V895 HydrophobicContact CB-CG1 4.43Å; W873-V895 HydrophobicContact CG-CG1 3.96Å; W873-E899 WeakPolarHBondContact CZ2-OE1 3.33Å; W873-E899 PolarHBondContact NE1-OE2 3.45Å; W873-E906 HydrophobicContact CH2-CG 4.35Å; W873-P907 HydrophobicContact CD2-CG 4.44Å; W873-P907 HydrophobicContact CH2-CG 4.45Å; W873-P907 HydrophobicContact CZ2-CG 3.88Å
874	M	89.3	Confident	73.7	Confident	13 Å²	13	56.5 Å²	56.5	6%	0.064	28%	0.281	C	S	.	.	S	Bend	trans	-77.6	149.3	-172	-63.2	174.9	63.3	0	0	112.4	I870 I871 S878 I879 Y884 W891	I870-M874 HydrophobicContact CG2-CG 3.98Å; I870-M874 HydrophobicContact CG2-SD 4.2Å; I871-M874 PolarHBondContact O-N 3.28Å; M874-S878 WeakPolarHBondContact CE-O 3.46Å; M874-I879 HydrophobicContact CB-CD1 4.04Å; M874-I879 HydrophobicContact CB-CG1 3.62Å; M874-I879 HydrophobicContact CE-CG1 4.23Å; M874-I879 HydrophobicContact SD-CG1 4.41Å; M874-Y884 HydrophobicContact CE-CE1 3.96Å; M874-W891 PolarHBondContact O-NE1 3.11Å
875	A	91.3	Very high	76.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.			trans	-71.3	152.9	169.1	0	0	0	0	0	111.8	E877 S878 I879 W891	A875-E877 VanDerWaalsContact C-N 3.31Å; A875-E877 VanDerWaalsContact CB-CD 3.46Å; A875-E877 WeakPolarHBondContact CB-OE1 3.34Å; A875-E877 WeakPolarHBondContact CB-OE2 3.37Å; A875-E877 PolarHBondContact O-N 3Å; A875-S878 WeakPolarHBondContact O-CB 3.43Å; A875-S878 PolarHBondContact O-N 3.19Å; A875-I879 WeakPolarHBondContact O-CG1 3.3Å; A875-I879 PolarHBondContact O-N 2.91Å; A875-I879 VanDerWaalsContact O-N 3.08Å; A875-W891 HydrophobicContact CB-CB 3.73Å; A875-W891 HydrophobicContact CB-CD2 3.92Å; A875-W891 HydrophobicContact CB-CE3 4.28Å; A875-W891 HydrophobicContact CB-CG 3.66Å
876	L	89.8	Confident	78.5	Confident	16 Å²	16	45.8 Å²	45.8	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-40.1	-174.3	-173.9	62.2	0	0	0	112.1	S878 I879 L880 P917 L920 E921 I946	L876-S878 VanDerWaalsContact C-N 3.27Å; L876-S878 PolarHBondContact O-N 3.42Å; L876-I879 PolarHBondContact O-N 2.84Å; L876-I879 VanDerWaalsContact O-N 3.16Å; L876-L880 HydrophobicContact CD1-CD1 3.82Å; L876-L880 HydrophobicContact CD1-CG 3.9Å; L876-L880 HydrophobicContact CD2-CD1 4.31Å; L876-L880 HydrophobicContact CG-CD1 3.77Å; L876-L880 HydrophobicContact CG-CG 4.2Å; L876-L880 WeakPolarHBondContact O-CG 3.45Å; L876-L880 PolarHBondContact O-N 3.29Å; L876-P917 HydrophobicContact CD1-CB 4.36Å; L876-L920 HydrophobicContact CD1-CB 4.11Å; L876-L920 HydrophobicContact CD1-CD1 4.45Å; L876-E921 HydrophobicContact CD1-CG 4.26Å; L876-E921 HydrophobicContact CD2-CG 3.89Å; L876-I946 HydrophobicContact CD2-CD1 3.78Å
877	E	87.5	Confident	81	Confident	13 Å²	13	44.8 Å²	44.8	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-27.6	176.3	70.6	-75.9	178.4	0	0	113.7	A875 F881 R882 R883 R951	A875-E877 VanDerWaalsContact C-N 3.31Å; A875-E877 VanDerWaalsContact CB-CD 3.46Å; A875-E877 WeakPolarHBondContact CB-OE1 3.34Å; A875-E877 WeakPolarHBondContact CB-OE2 3.37Å; A875-E877 PolarHBondContact O-N 3Å; E877-F881 HydrophobicContact CB-CD2 4.23Å; E877-F881 CarbonylContact O-C 3.22Å; E877-F881 WeakPolarHBondContact O-CA 3.46Å; E877-F881 WeakPolarHBondContact O-CB 3.31Å; E877-F881 PolarHBondContact O-N 3.42Å; E877-R882 PolarHBondContact O-N 3.01Å; E877-R883 PolarHBondContact O-N 3.29Å; E877-R951 IonicContact OE1-CZ 3.68Å; E877-R951 IonicContact OE1-NH1 3.92Å; E877-R951 PolarHBondContact OE1-NH1 2.94Å; E877-R951 IonicContact OE1-NH2 2.75Å; E877-R951 PolarHBondContact OE1-NH2 3.3Å; E877-R951 IonicContact OE2-CZ 2.73Å; E877-R951 IonicContact OE2-NH1 2.76Å; E877-R951 IonicContact OE2-NH2 3.58Å; E877-R951 PolarHBondContact OE2-NH2 3Å
878	S	86.8	Confident	83.2	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-79.2	-28.1	174.5	-49.2	0	0	0	0	112.5	M874 A875 L876 R882 R883 S888	M874-S878 WeakPolarHBondContact CE-O 3.46Å; A875-S878 WeakPolarHBondContact O-CB 3.43Å; A875-S878 PolarHBondContact O-N 3.19Å; L876-S878 VanDerWaalsContact C-N 3.27Å; L876-S878 PolarHBondContact O-N 3.42Å; S878-R882 PolarHBondContact O-NH1 3.46Å; S878-R883 VanDerWaalsContact CA-O 3.25Å; S878-R883 WeakPolarHBondContact CA-O 3.45Å; S878-R883 WeakPolarHBondContact CB-O 3.02Å; S878-R883 PolarHBondContact OG-O 2.84Å; S878-S888 VanDerWaalsContact OG-CB 3.31Å; S878-S888 WeakPolarHBondContact OG-CB 3.21Å
879	I	84.2	Confident	85	Confident	16 Å²	16	35.7 Å²	35.7	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-77.8	-51.8	175.7	-57.2	162.8	0	0	0	110.4	I871 M874 A875 L876 R882 P917 L920	I871-I879 HydrophobicContact CG2-CD1 3.87Å; I871-I879 HydrophobicContact CG2-CG1 4.18Å; I871-I879 HydrophobicContact CG2-CG2 4.4Å; M874-I879 HydrophobicContact CB-CD1 4.04Å; M874-I879 HydrophobicContact CB-CG1 3.62Å; M874-I879 HydrophobicContact CE-CG1 4.23Å; M874-I879 HydrophobicContact SD-CG1 4.41Å; A875-I879 WeakPolarHBondContact O-CG1 3.3Å; A875-I879 PolarHBondContact O-N 2.91Å; A875-I879 VanDerWaalsContact O-N 3.08Å; L876-I879 PolarHBondContact O-N 2.84Å; L876-I879 VanDerWaalsContact O-N 3.16Å; I879-R882 PolarHBondContact O-NH1 3.49Å; I879-P917 HydrophobicContact CG2-CG 3.85Å; I879-L920 HydrophobicContact CD1-CD1 4.32Å
880	L	80.9	Confident	86.8	Confident	69 Å²	69	32 Å²	32	36%	0.361	14%	0.144	S	C	.	.	H	α-helix	trans	-76.4	-54.4	-175.9	-61.5	179.8	0	0	0	112.5	L876 P917 E921	L876-L880 HydrophobicContact CD1-CD1 3.82Å; L876-L880 HydrophobicContact CD1-CG 3.9Å; L876-L880 HydrophobicContact CD2-CD1 4.31Å; L876-L880 HydrophobicContact CG-CD1 3.77Å; L876-L880 HydrophobicContact CG-CG 4.2Å; L876-L880 WeakPolarHBondContact O-CG 3.45Å; L876-L880 PolarHBondContact O-N 3.29Å; L880-P917 HydrophobicContact CD2-CB 4.34Å; L880-E921 WeakPolarHBondContact CD1-OE1 3.43Å
881	F	78.1	Confident	88	Confident	156 Å²	156	31.3 Å²	31.3	68%	0.684	14%	0.14	S	C	*	.	S	Bend	trans	-105	2	-167.3	-48.9	-59.7	0	0	0	113.8	E877 R883	E877-F881 HydrophobicContact CB-CD2 4.23Å; E877-F881 CarbonylContact O-C 3.22Å; E877-F881 WeakPolarHBondContact O-CA 3.46Å; E877-F881 WeakPolarHBondContact O-CB 3.31Å; E877-F881 PolarHBondContact O-N 3.42Å; F881-R883 PolarHBondContact O-N 2.86Å
882	R	75.4	Confident	88.7	Confident	85 Å²	85	30.8 Å²	30.8	32%	0.321	14%	0.138	S	C	.	.			trans	55.9	27.2	-176.8	-53	-54.2	178.3	-170.1	-2.2	114	F863 E877 S878 I879 Y884	F863-R882 VanDerWaalsContact CD2-CZ 3.48Å; F863-R882 VanDerWaalsContact CD2-NH2 3.31Å; E877-R882 PolarHBondContact O-N 3.01Å; S878-R882 PolarHBondContact O-NH1 3.46Å; I879-R882 PolarHBondContact O-NH1 3.49Å; R882-Y884 VanDerWaalsContact O-CD2 3.3Å; R882-Y884 WeakPolarHBondContact O-CD2 3.25Å; R882-Y884 WeakPolarHBondContact O-CE2 3.3Å
883	R	79.9	Confident	89.2	Confident	105 Å²	105	30.5 Å²	30.5	40%	0.396	14%	0.137	S	C	.	.			trans	-89.7	125.3	179	-163.8	163.8	64.1	95.5	-3.2	110	E877 S878 F881 T885 E948	E877-R883 PolarHBondContact O-N 3.29Å; S878-R883 VanDerWaalsContact CA-O 3.25Å; S878-R883 WeakPolarHBondContact CA-O 3.45Å; S878-R883 WeakPolarHBondContact CB-O 3.02Å; S878-R883 PolarHBondContact OG-O 2.84Å; F881-R883 PolarHBondContact O-N 2.86Å; R883-T885 HydrophobicContact CG-CG2 4.31Å; R883-E948 IonicContact CZ-OE1 2.69Å; R883-E948 IonicContact CZ-OE2 3.81Å; R883-E948 IonicContact NH1-OE1 3.79Å; R883-E948 PolarHBondContact NH1-OE1 2.93Å; R883-E948 IonicContact NH1-OE2 3.12Å; R883-E948 PolarHBondContact NH1-OE2 3.16Å; R883-E948 VanDerWaalsContact NH2-CD 3.29Å; R883-E948 IonicContact NH2-OE1 2.67Å; R883-E948 PolarHBondContact NH2-OE1 2.87Å; R883-E948 IonicContact NH2-OE2 3.6Å; R883-E948 PolarHBondContact NH2-OE2 3.25Å
884	Y	84.8	Confident	89.4	Confident	33 Å²	33	29.8 Å²	29.8	13%	0.129	14%	0.135	C	C	.	.			trans	-120.9	120.7	-179.9	-57.9	-79.1	0	0	0	109.5	R828 M874 R882	R828-Y884 HydrophobicContact CB-CD1 4.39Å; R828-Y884 HydrophobicContact CG-CD1 4.07Å; R828-Y884 HydrophobicContact CG-CG 4.11Å; M874-Y884 HydrophobicContact CE-CE1 3.96Å; R882-Y884 VanDerWaalsContact O-CD2 3.3Å; R882-Y884 WeakPolarHBondContact O-CD2 3.25Å; R882-Y884 WeakPolarHBondContact O-CE2 3.3Å
885	T	90.1	Very high	89.8	Confident	32 Å²	32	29.2 Å²	29.2	20%	0.196	13%	0.131	C	C	.	.			trans	-137.3	166.9	-177.9	62.1	0	0	0	0	109.7	R883 Q887 S888 D889	R883-T885 HydrophobicContact CG-CG2 4.31Å; T885-Q887 PolarHBondContact O-N 2.85Å; T885-Q887 PolarHBondContact OG1-N 3.27Å; T885-S888 PolarHBondContact N-OG 3.44Å; T885-S888 WeakPolarHBondContact O-CA 3.36Å; T885-S888 WeakPolarHBondContact O-CB 2.91Å; T885-S888 PolarHBondContact O-N 2.88Å; T885-S888 PolarHBondContact O-OG 3.36Å; T885-S888 PolarHBondContact OG1-N 2.75Å; T885-D889 PolarHBondContact O-N 3.27Å
886	H	92.7	Very high	90	Very high	41 Å²	41	29.2 Å²	29.2	19%	0.19	13%	0.131	C	C	.	.	H	α-helix	trans	-57.6	-33.9	171.3	-55.5	-60	0	0	0	111.6	E821 I825 S888 D889 V890	E821-H886 HydrophobicContact CG-CB 4.17Å; E821-H886 VanDerWaalsContact OE1-CB 3.27Å; E821-H886 WeakPolarHBondContact OE1-CB 3.25Å; E821-H886 IonicContact OE1-CG 3.98Å; I825-H886 PolarHBondContact O-CE1 3.04Å; H886-S888 VanDerWaalsContact C-N 3.28Å; H886-S888 PolarHBondContact O-N 2.86Å; H886-D889 CarbonylContact O-C 3.49Å; H886-D889 WeakPolarHBondContact O-CA 3.18Å; H886-D889 WeakPolarHBondContact O-CB 3.44Å; H886-D889 PolarHBondContact O-N 2.98Å; H886-V890 PolarHBondContact O-N 3.05Å
887	Q	95.4	Very high	90.4	Very high	30 Å²	30	28.5 Å²	28.5	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-24.6	172.8	-57	-59.3	79.1	0	0	114	T885 W891 E948 R951	T885-Q887 PolarHBondContact O-N 2.85Å; T885-Q887 PolarHBondContact OG1-N 3.27Å; Q887-W891 PolarHBondContact O-N 3.18Å; Q887-E948 HydrophobicContact CB-CB 3.86Å; Q887-E948 HydrophobicContact CB-CG 4.48Å; Q887-E948 HydrophobicContact CG-CB 4.3Å; Q887-E948 HydrophobicContact CG-CG 4.5Å; Q887-E948 PolarHBondContact NE2-O 2.84Å; Q887-R951 PolarHBondContact NE2-O 2.94Å; Q887-R951 PolarHBondContact O-NH1 2.71Å
888	S	92.5	Very high	90.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-77.8	-28.6	170.1	75.3	0	0	0	0	112.8	S878 T885 H886 S892	S878-S888 VanDerWaalsContact OG-CB 3.31Å; S878-S888 WeakPolarHBondContact OG-CB 3.21Å; T885-S888 PolarHBondContact N-OG 3.44Å; T885-S888 WeakPolarHBondContact O-CA 3.36Å; T885-S888 WeakPolarHBondContact O-CB 2.91Å; T885-S888 PolarHBondContact O-N 2.88Å; T885-S888 PolarHBondContact O-OG 3.36Å; T885-S888 PolarHBondContact OG1-N 2.75Å; H886-S888 VanDerWaalsContact C-N 3.28Å; H886-S888 PolarHBondContact O-N 2.86Å; S888-S892 PolarHBondContact O-N 3.33Å; S888-S892 PolarHBondContact O-OG 3.11Å
889	D	94.6	Very high	91.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.1	-31.7	167.4	-70.6	-38.1	0	0	0	111.4	M817 V826 H827 R828 T885 H886 W891 S892 Y893 F954	M817-D889 HydrophobicContact CE-CB 3.68Å; V826-D889 WeakPolarHBondContact CA-OD2 3.47Å; V826-D889 WeakPolarHBondContact CG1-OD2 3Å; H827-D889 PolarHBondContact N-OD2 3.29Å; R828-D889 PolarHBondContact N-OD1 3.18Å; T885-D889 PolarHBondContact O-N 3.27Å; H886-D889 CarbonylContact O-C 3.49Å; H886-D889 WeakPolarHBondContact O-CA 3.18Å; H886-D889 WeakPolarHBondContact O-CB 3.44Å; H886-D889 PolarHBondContact O-N 2.98Å; D889-W891 VanDerWaalsContact C-N 3.33Å; D889-W891 PolarHBondContact O-N 3.31Å; D889-S892 CarbonylContact O-C 3.08Å; D889-S892 WeakPolarHBondContact O-CA 3.33Å; D889-S892 WeakPolarHBondContact O-CB 3.38Å; D889-S892 PolarHBondContact O-N 2.86Å; D889-S892 VanDerWaalsContact O-N 3.12Å; D889-Y893 WeakPolarHBondContact O-CB 3.15Å; D889-Y893 PolarHBondContact O-N 3.18Å; D889-F954 HydrophobicContact CB-CE2 4.08Å; D889-F954 HydrophobicContact CB-CZ 3.92Å
890	V	97.7	Very high	91.7	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-43.2	173.1	165.6	0	0	0	0	111.1	H886 S892 Y893 G894 C943 R951 P952 F954 L957	H886-V890 PolarHBondContact O-N 3.05Å; V890-S892 VanDerWaalsContact C-N 3.34Å; V890-S892 PolarHBondContact O-N 3.23Å; V890-Y893 WeakPolarHBondContact O-CB 3.37Å; V890-Y893 PolarHBondContact O-N 2.95Å; V890-G894 PolarHBondContact O-N 3.47Å; V890-C943 HydrophobicContact CG1-CB 4.02Å; V890-C943 WeakPolarHBondContact O-CB 3.32Å; V890-R951 HydrophobicContact CG1-CB 3.99Å; V890-P952 WeakPolarHBondContact CG1-O 3.31Å; V890-P952 WeakPolarHBondContact CG2-O 3.48Å; V890-F954 HydrophobicContact CB-CZ 4.33Å; V890-F954 HydrophobicContact CG2-CD1 4.41Å; V890-F954 HydrophobicContact CG2-CD2 3.98Å; V890-F954 HydrophobicContact CG2-CE1 4.07Å; V890-F954 HydrophobicContact CG2-CE2 3.6Å; V890-F954 HydrophobicContact CG2-CG 4.38Å; V890-F954 HydrophobicContact CG2-CZ 3.66Å; V890-L957 HydrophobicContact CG1-CD1 4.1Å; V890-L957 HydrophobicContact CG2-CD1 4.38Å
891	W	96.9	Very high	92.4	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-47.1	171.3	-179.8	-69.6	0	0	0	111.6	M874 A875 Q887 D889 Y893 G894 V895 L920 C943 W944	M874-W891 PolarHBondContact O-NE1 3.11Å; A875-W891 HydrophobicContact CB-CB 3.73Å; A875-W891 HydrophobicContact CB-CD2 3.92Å; A875-W891 HydrophobicContact CB-CE3 4.28Å; A875-W891 HydrophobicContact CB-CG 3.66Å; Q887-W891 PolarHBondContact O-N 3.18Å; D889-W891 VanDerWaalsContact C-N 3.33Å; D889-W891 PolarHBondContact O-N 3.31Å; W891-Y893 VanDerWaalsContact C-N 3.27Å; W891-Y893 PolarHBondContact O-N 3.07Å; W891-G894 PolarHBondContact O-N 3.31Å; W891-G894 VanDerWaalsContact O-N 3.12Å; W891-V895 PolarHBondContact O-N 3.09Å; W891-L920 HydrophobicContact CH2-CD1 4.37Å; W891-L920 HydrophobicContact CH2-CD2 4.04Å; W891-L920 HydrophobicContact CZ2-CD1 3.74Å; W891-L920 HydrophobicContact CZ2-CD2 3.65Å; W891-L920 HydrophobicContact CZ2-CG 4.28Å; W891-C943 WeakPolarHBondContact CA-O 3.35Å; W891-W944 HydrophobicContact CD2-CB 4.48Å; W891-W944 AromaticContact CD2-CD1 3.89Å; W891-W944 AromaticContact CE2-CD1 3.98Å; W891-W944 HydrophobicContact CE3-CB 4.24Å; W891-W944 HydrophobicContact CH2-CB 4.26Å; W891-W944 HydrophobicContact CZ2-CB 4.5Å; W891-W944 VanDerWaalsContact CZ3-C 3.47Å; W891-W944 HydrophobicContact CZ3-CB 4.13Å; W891-W944 VanDerWaalsContact CZ3-O 3.23Å; W891-W944 WeakPolarHBondContact CZ3-O 3.39Å; W891-W944 PolarHBondContact O-NE1 3.09Å
892	S	95.6	Very high	93	Very high	8 Å²	8	18.4 Å²	18.4	6%	0.056	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-33.8	178.1	-52.9	0	0	0	0	112.1	W873 S888 D889 V890 V895 T896	W873-S892 WeakPolarHBondContact O-CA 3.48Å; W873-S892 PolarHBondContact O-OG 2.81Å; S888-S892 PolarHBondContact O-N 3.33Å; S888-S892 PolarHBondContact O-OG 3.11Å; D889-S892 CarbonylContact O-C 3.08Å; D889-S892 WeakPolarHBondContact O-CA 3.33Å; D889-S892 WeakPolarHBondContact O-CB 3.38Å; D889-S892 PolarHBondContact O-N 2.86Å; D889-S892 VanDerWaalsContact O-N 3.12Å; V890-S892 VanDerWaalsContact C-N 3.34Å; V890-S892 PolarHBondContact O-N 3.23Å; S892-V895 PolarHBondContact O-N 2.94Å; S892-T896 WeakPolarHBondContact O-CB 3.27Å; S892-T896 PolarHBondContact O-N 2.85Å; S892-T896 PolarHBondContact O-OG1 2.78Å
893	Y	97.9	Very high	93.7	Very high	1 Å²	1	16 Å²	16	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-46.3	171.8	172.3	-91.8	0	0	0	111.1	C810 I813 A814 L830 D889 V890 W891 V895 T896 V897 F954 L957 F961	C810-Y893 PolarHBondContact O-OH 2.6Å; C810-Y893 VanDerWaalsContact O-OH 3.11Å; I813-Y893 HydrophobicContact CB-CE2 4.07Å; I813-Y893 HydrophobicContact CG2-CD2 3.76Å; I813-Y893 HydrophobicContact CG2-CE2 3.83Å; A814-Y893 HydrophobicContact CB-CE2 4.04Å; L830-Y893 HydrophobicContact CD2-CD2 4.3Å; D889-Y893 WeakPolarHBondContact O-CB 3.15Å; D889-Y893 PolarHBondContact O-N 3.18Å; V890-Y893 WeakPolarHBondContact O-CB 3.37Å; V890-Y893 PolarHBondContact O-N 2.95Å; W891-Y893 VanDerWaalsContact C-N 3.27Å; W891-Y893 PolarHBondContact O-N 3.07Å; Y893-V895 VanDerWaalsContact C-N 3.3Å; Y893-V895 PolarHBondContact O-N 2.94Å; Y893-T896 CarbonylContact O-C 3.34Å; Y893-T896 WeakPolarHBondContact O-CA 3.21Å; Y893-T896 WeakPolarHBondContact O-CB 3.27Å; Y893-T896 PolarHBondContact O-N 2.91Å; Y893-V897 HydrophobicContact CD1-CG2 4.14Å; Y893-V897 HydrophobicContact CD2-CG2 4.38Å; Y893-V897 HydrophobicContact CE1-CG2 3.67Å; Y893-V897 HydrophobicContact CE2-CG2 3.94Å; Y893-V897 HydrophobicContact CG-CG2 4.47Å; Y893-V897 WeakPolarHBondContact O-CG2 3.36Å; Y893-V897 PolarHBondContact O-N 2.8Å; Y893-F954 HydrophobicContact CD2-CE1 4.15Å; Y893-F954 AromaticContact CG-CE1 3.92Å; Y893-F954 HydrophobicContact CG-CE1 3.92Å; Y893-L957 HydrophobicContact CD1-CD1 3.85Å; Y893-L957 HydrophobicContact CE1-CB 4.38Å; Y893-L957 HydrophobicContact CE1-CD1 3.98Å; Y893-L957 HydrophobicContact CE1-CD2 4.15Å; Y893-L957 HydrophobicContact CE1-CG 4.42Å; Y893-F961 HydrophobicContact CE1-CD2 4.41Å; Y893-F961 AromaticContact CE1-CE2 3.89Å; Y893-F961 HydrophobicContact CE1-CE2 3.89Å; Y893-F961 WeakPolarHBondContact OH-CD2 3.49Å; Y893-F961 WeakPolarHBondContact OH-CE2 3.23Å
894	G	97.2	Very high	94.2	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-54.4	-45.5	173.6	0	0	0	0	0	112.4	V890 W891 V897 W898 W944	V890-G894 PolarHBondContact O-N 3.47Å; W891-G894 PolarHBondContact O-N 3.31Å; W891-G894 VanDerWaalsContact O-N 3.12Å; G894-V897 PolarHBondContact O-N 2.73Å; G894-W898 PolarHBondContact O-N 2.94Å; G894-W944 WeakPolarHBondContact O-CZ2 3.21Å
895	V	96.7	Very high	94.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-36.5	174.9	-176.6	0	0	0	0	111.8	W873 W891 S892 Y893 W898 E899 P907 L926 W944	W873-V895 HydrophobicContact CB-CG1 4.43Å; W873-V895 HydrophobicContact CG-CG1 3.96Å; W891-V895 PolarHBondContact O-N 3.09Å; S892-V895 PolarHBondContact O-N 2.94Å; Y893-V895 VanDerWaalsContact C-N 3.3Å; Y893-V895 PolarHBondContact O-N 2.94Å; V895-W898 PolarHBondContact O-N 3.27Å; V895-E899 WeakPolarHBondContact O-CB 3.22Å; V895-E899 PolarHBondContact O-N 3.03Å; V895-P907 HydrophobicContact CG1-CB 3.92Å; V895-P907 HydrophobicContact CG1-CG 3.49Å; V895-P907 VanDerWaalsContact CG1-CG 3.49Å; V895-L926 HydrophobicContact CG1-CD1 4.05Å; V895-L926 HydrophobicContact CG2-CD1 4.24Å; V895-W944 HydrophobicContact CG2-CZ2 4.4Å
896	T	96.3	Very high	94.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-42.9	176.9	-59.9	0	0	0	0	112.2	L830 A831 A832 S892 Y893 W898 E899 M900	L830-T896 PolarHBondContact O-OG1 3.36Å; A831-T896 VanDerWaalsContact CA-OG1 3.28Å; A831-T896 WeakPolarHBondContact CA-OG1 3.48Å; A831-T896 PolarHBondContact N-OG1 2.74Å; A832-T896 HydrophobicContact CB-CG2 4.39Å; S892-T896 WeakPolarHBondContact O-CB 3.27Å; S892-T896 PolarHBondContact O-N 2.85Å; S892-T896 PolarHBondContact O-OG1 2.78Å; Y893-T896 CarbonylContact O-C 3.34Å; Y893-T896 WeakPolarHBondContact O-CA 3.21Å; Y893-T896 WeakPolarHBondContact O-CB 3.27Å; Y893-T896 PolarHBondContact O-N 2.91Å; T896-W898 VanDerWaalsContact C-N 3.34Å; T896-E899 WeakPolarHBondContact O-CB 3.33Å; T896-E899 PolarHBondContact O-N 2.82Å; T896-M900 HydrophobicContact CG2-SD 4.37Å; T896-M900 WeakPolarHBondContact O-CG 3.08Å; T896-M900 PolarHBondContact O-N 2.81Å
897	V	97.1	Very high	94.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-65.8	-39.2	174.7	-178.9	0	0	0	0	110.2	Y893 G894 M900 M901 M940 F961	Y893-V897 HydrophobicContact CD1-CG2 4.14Å; Y893-V897 HydrophobicContact CD2-CG2 4.38Å; Y893-V897 HydrophobicContact CE1-CG2 3.67Å; Y893-V897 HydrophobicContact CE2-CG2 3.94Å; Y893-V897 HydrophobicContact CG-CG2 4.47Å; Y893-V897 WeakPolarHBondContact O-CG2 3.36Å; Y893-V897 PolarHBondContact O-N 2.8Å; G894-V897 PolarHBondContact O-N 2.73Å; V897-M900 PolarHBondContact O-N 2.76Å; V897-M901 HydrophobicContact CG1-CE 4.21Å; V897-M901 HydrophobicContact CG1-CG 4.21Å; V897-M901 VanDerWaalsContact O-CG 3.27Å; V897-M901 WeakPolarHBondContact O-CG 3.07Å; V897-M901 PolarHBondContact O-N 3.02Å; V897-M940 HydrophobicContact CB-CE 4.47Å; V897-M940 HydrophobicContact CG1-CE 3.78Å; V897-F961 HydrophobicContact CG1-CE1 4.31Å; V897-F961 HydrophobicContact CG1-CZ 4.06Å
898	W	97.1	Very high	94.1	Very high	19 Å²	19	12.7 Å²	12.7	7%	0.072	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-42	172.3	-176.1	94.9	0	0	0	112.7	G894 V895 T896 M900 M901 S902 T905 P907 L926 S927 P929 M940 W944	G894-W898 PolarHBondContact O-N 2.94Å; V895-W898 PolarHBondContact O-N 3.27Å; T896-W898 VanDerWaalsContact C-N 3.34Å; W898-M900 VanDerWaalsContact C-N 3.35Å; W898-M900 PolarHBondContact O-N 3.34Å; W898-M901 PolarHBondContact O-N 3.38Å; W898-S902 VanDerWaalsContact CE2-OG 3.26Å; W898-S902 WeakPolarHBondContact CZ2-OG 3.49Å; W898-S902 WeakPolarHBondContact O-CB 3.46Å; W898-S902 PolarHBondContact O-N 3.31Å; W898-S902 PolarHBondContact O-OG 2.97Å; W898-T905 HydrophobicContact CH2-CG2 4.17Å; W898-P907 HydrophobicContact CE3-CG 4.2Å; W898-P907 HydrophobicContact CZ3-CB 4.28Å; W898-P907 HydrophobicContact CZ3-CG 4.12Å; W898-L926 HydrophobicContact CB-CD1 4.3Å; W898-L926 HydrophobicContact CD2-CB 4.13Å; W898-L926 HydrophobicContact CD2-CD1 3.79Å; W898-L926 HydrophobicContact CD2-CD2 4.47Å; W898-L926 HydrophobicContact CD2-CG 4.34Å; W898-L926 HydrophobicContact CE3-CD1 3.98Å; W898-L926 HydrophobicContact CG-CB 4.15Å; W898-L926 HydrophobicContact CG-CD1 3.92Å; W898-L926 HydrophobicContact CH2-CD2 4.31Å; W898-L926 HydrophobicContact CZ2-CB 4.42Å; W898-L926 HydrophobicContact CZ2-CD2 4.23Å; W898-L926 HydrophobicContact CZ3-CD2 4.45Å; W898-S927 PolarHBondContact NE1-O 2.85Å; W898-P929 HydrophobicContact CG-CG 4.3Å; W898-M940 HydrophobicContact CB-SD 4.24Å; W898-W944 HydrophobicContact CB-CH2 4.03Å; W898-W944 HydrophobicContact CB-CZ2 3.98Å; W898-W944 AromaticContact CD1-CH2 3.93Å; W898-W944 HydrophobicContact CG-CH2 4.17Å; W898-W944 HydrophobicContact CG-CZ2 4.49Å
899	E	95.1	Very high	93.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-41	176.9	-178.9	176.3	-158.4	0	0	111.3	L791 A832 W873 V895 T896 G904	L791-E899 HydrophobicContact CD1-CG 4.09Å; L791-E899 WeakPolarHBondContact CD1-OE1 3.35Å; A832-E899 HydrophobicContact CB-CB 4.49Å; A832-E899 HydrophobicContact CB-CG 3.9Å; A832-E899 WeakPolarHBondContact CB-OE2 3.42Å; A832-E899 PolarHBondContact N-OE2 2.69Å; W873-E899 WeakPolarHBondContact CZ2-OE1 3.33Å; W873-E899 PolarHBondContact NE1-OE2 3.45Å; V895-E899 WeakPolarHBondContact O-CB 3.22Å; V895-E899 PolarHBondContact O-N 3.03Å; T896-E899 WeakPolarHBondContact O-CB 3.33Å; T896-E899 PolarHBondContact O-N 2.82Å; E899-G904 VanDerWaalsContact O-CA 3.28Å; E899-G904 WeakPolarHBondContact O-CA 3.4Å; E899-G904 PolarHBondContact O-N 2.92Å
900	M	94.9	Very high	93.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-54.9	173	-68.3	163.6	60.5	0	0	112	M790 W809 I813 A832 T896 V897 W898 S902 H903	M790-M900 HydrophobicContact SD-CE 3.78Å; M790-M900 HydrophobicContact SD-CG 4Å; M790-M900 HydrophobicContact SD-SD 3.73Å; W809-M900 HydrophobicContact CB-CE 3.6Å; W809-M900 HydrophobicContact CE3-CE 4.42Å; I813-M900 HydrophobicContact CD1-CE 4.26Å; I813-M900 HydrophobicContact CD1-SD 3.7Å; A832-M900 HydrophobicContact CB-CG 4.46Å; T896-M900 HydrophobicContact CG2-SD 4.37Å; T896-M900 WeakPolarHBondContact O-CG 3.08Å; T896-M900 PolarHBondContact O-N 2.81Å; V897-M900 PolarHBondContact O-N 2.76Å; W898-M900 VanDerWaalsContact C-N 3.35Å; W898-M900 PolarHBondContact O-N 3.34Å; M900-S902 PolarHBondContact O-N 3.09Å; M900-H903 PolarHBondContact O-N 3.08Å
901	M	93.8	Very high	92.5	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-21.5	-176.3	-60.9	-58.7	178.2	0	0	113	L806 L807 V897 W898 H903 P929 I931 M940 L972	L806-M901 HydrophobicContact CB-CE 4.17Å; L806-M901 HydrophobicContact CB-SD 4.21Å; L806-M901 HydrophobicContact CD1-SD 4.15Å; L807-M901 HydrophobicContact CD2-CE 4.06Å; V897-M901 HydrophobicContact CG1-CE 4.21Å; V897-M901 HydrophobicContact CG1-CG 4.21Å; V897-M901 VanDerWaalsContact O-CG 3.27Å; V897-M901 WeakPolarHBondContact O-CG 3.07Å; V897-M901 PolarHBondContact O-N 3.02Å; W898-M901 PolarHBondContact O-N 3.38Å; M901-H903 PolarHBondContact O-N 2.61Å; M901-P929 HydrophobicContact CB-CB 3.97Å; M901-P929 HydrophobicContact CB-CG 4.01Å; M901-I931 HydrophobicContact CB-CD1 4.28Å; M901-I931 HydrophobicContact CB-CG1 4.36Å; M901-I931 WeakPolarHBondContact O-CD1 3.47Å; M901-I931 WeakPolarHBondContact O-CG1 3.36Å; M901-I931 HydrophobicContact SD-CD1 4.05Å; M901-M940 HydrophobicContact CB-CE 4.19Å; M901-M940 HydrophobicContact CG-CE 3.88Å; M901-L972 HydrophobicContact CE-CD1 3.94Å; M901-L972 HydrophobicContact CE-CD2 4.12Å; M901-L972 HydrophobicContact SD-CD1 3.88Å; M901-L972 HydrophobicContact SD-CD2 3.75Å
902	S	92	Very high	91.7	Very high	21 Å²	21	33.5 Å²	33.5	15%	0.147	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	20.6	171.9	-52.4	0	0	0	0	112.8	W898 M900 G904 T905	W898-S902 VanDerWaalsContact CE2-OG 3.26Å; W898-S902 WeakPolarHBondContact CZ2-OG 3.49Å; W898-S902 WeakPolarHBondContact O-CB 3.46Å; W898-S902 PolarHBondContact O-N 3.31Å; W898-S902 PolarHBondContact O-OG 2.97Å; M900-S902 PolarHBondContact O-N 3.09Å; S902-G904 VanDerWaalsContact C-N 3.29Å; S902-G904 PolarHBondContact O-N 2.99Å; S902-T905 VanDerWaalsContact O-CB 3.28Å; S902-T905 WeakPolarHBondContact O-CB 3.24Å; S902-T905 PolarHBondContact O-N 3.37Å; S902-T905 VanDerWaalsContact O-N 3.09Å; S902-T905 PolarHBondContact O-OG1 3.19Å
903	H	90.3	Very high	91	Very high	36 Å²	36	35 Å²	35	17%	0.167	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	41.5	176.7	-64.2	-173.3	0	0	0	113.5	K798 M900 M901	K798-H903 HydrophobicContact CB-CB 4.42Å; K798-H903 HydrophobicContact CD-CB 4Å; K798-H903 VanDerWaalsContact CE-O 3.28Å; K798-H903 WeakPolarHBondContact CE-O 3.29Å; K798-H903 HydrophobicContact CG-CB 4.07Å; K798-H903 PolarHBondContact NZ-O 2.75Å; K798-H903 PolarHBondContact O-CE1 3.45Å; K798-H903 PolarHBondContact O-ND1 3.01Å; M900-H903 PolarHBondContact O-N 3.08Å; M901-H903 PolarHBondContact O-N 2.61Å
904	G	89.3	Confident	90.2	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	23.4	179.8	0	0	0	0	0	114.7	R795 E899 S902	R795-G904 VanDerWaalsContact CZ-O 3.25Å; R795-G904 PolarHBondContact NE-O 2.88Å; R795-G904 PolarHBondContact NH2-O 3.23Å; E899-G904 VanDerWaalsContact O-CA 3.28Å; E899-G904 WeakPolarHBondContact O-CA 3.4Å; E899-G904 PolarHBondContact O-N 2.92Å; S902-G904 VanDerWaalsContact C-N 3.29Å; S902-G904 PolarHBondContact O-N 2.99Å
905	T	90.6	Very high	89.6	Confident	60 Å²	60	42.7 Å²	42.7	37%	0.368	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-67.3	142.3	172.2	-60.9	0	0	0	0	110.5	W898 S902	W898-T905 HydrophobicContact CH2-CG2 4.17Å; S902-T905 VanDerWaalsContact O-CB 3.28Å; S902-T905 WeakPolarHBondContact O-CB 3.24Å; S902-T905 PolarHBondContact O-N 3.37Å; S902-T905 VanDerWaalsContact O-N 3.09Å; S902-T905 PolarHBondContact O-OG1 3.19Å
906	E	88.9	Confident	89.1	Confident	91 Å²	91	42.7 Å²	42.7	43%	0.425	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-72	130.3	179.1	-168	-174.5	138.8	0	0	111.2	K872 W873 S909	K872-E906 IonicContact NZ-OE1 2.79Å; K872-E906 PolarHBondContact NZ-OE1 2.04Å; W873-E906 HydrophobicContact CH2-CG 4.35Å; E906-S909 WeakPolarHBondContact O-CB 3.4Å; E906-S909 PolarHBondContact O-N 2.8Å
907	P	91.6	Very high	88.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	141.7	173.4	-24.3	34.1	0	0	0	112.1	K872 W873 V895 W898 S909 L926	K872-P907 HydrophobicContact CB-CB 4.39Å; K872-P907 VanDerWaalsContact CD-O 3.28Å; K872-P907 WeakPolarHBondContact CD-O 3.36Å; K872-P907 WeakPolarHBondContact CE-O 3.39Å; K872-P907 PolarHBondContact NZ-O 2.86Å; W873-P907 HydrophobicContact CD2-CG 4.44Å; W873-P907 HydrophobicContact CH2-CG 4.45Å; W873-P907 HydrophobicContact CZ2-CG 3.88Å; V895-P907 HydrophobicContact CG1-CB 3.92Å; V895-P907 HydrophobicContact CG1-CG 3.49Å; V895-P907 VanDerWaalsContact CG1-CG 3.49Å; W898-P907 HydrophobicContact CE3-CG 4.2Å; W898-P907 HydrophobicContact CZ3-CB 4.28Å; W898-P907 HydrophobicContact CZ3-CG 4.12Å; P907-S909 PolarHBondContact O-N 2.92Å; P907-S909 VanDerWaalsContact O-N 3.12Å; P907-L926 HydrophobicContact CB-CD1 4.15Å; P907-L926 HydrophobicContact CB-CD2 4.06Å
908	Y	89.3	Confident	88.1	Confident	17 Å²	17	47.7 Å²	47.7	7%	0.067	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	41.5	179.8	-50.2	-75.6	0	0	0	113.2	K872 T910 M911 V916 L919 L920 L926	K872-Y908 HydrophobicContact CB-CD2 4.38Å; K872-Y908 WeakPolarHBondContact CE-O 3.33Å; K872-Y908 HydrophobicContact CG-CD2 4.46Å; K872-Y908 PolarHBondContact NZ-O 3.25Å; Y908-T910 PolarHBondContact O-N 2.72Å; Y908-T910 VanDerWaalsContact O-N 3.1Å; Y908-M911 PolarHBondContact O-N 3.36Å; Y908-V916 HydrophobicContact CD2-CG1 4.24Å; Y908-V916 HydrophobicContact CE2-CG1 4.29Å; Y908-L919 HydrophobicContact CD1-CD2 3.72Å; Y908-L919 HydrophobicContact CE1-CD2 3.96Å; Y908-L920 WeakPolarHBondContact OH-CD2 3.41Å; Y908-L926 HydrophobicContact CD1-CD2 3.77Å; Y908-L926 HydrophobicContact CD2-CD2 3.95Å; Y908-L926 HydrophobicContact CE1-CD2 3.64Å; Y908-L926 HydrophobicContact CE1-CG 3.91Å; Y908-L926 HydrophobicContact CE2-CD1 4.26Å; Y908-L926 HydrophobicContact CE2-CD2 3.82Å; Y908-L926 HydrophobicContact CE2-CG 3.97Å; Y908-L926 HydrophobicContact CG-CD2 3.92Å
909	S	85.4	Confident	87.7	Confident	79 Å²	79	48.5 Å²	48.5	55%	0.552	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	-171.8	55.1	0	0	0	0	114.8	E906 P907	E906-S909 WeakPolarHBondContact O-CB 3.4Å; E906-S909 PolarHBondContact O-N 2.8Å; P907-S909 PolarHBondContact O-N 2.92Å; P907-S909 VanDerWaalsContact O-N 3.12Å
910	T	83.3	Confident	87.4	Confident	124 Å²	124	48.5 Å²	48.5	76%	0.761	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.2	177.3	50.3	0	0	0	0	114.6	Y908	Y908-T910 PolarHBondContact O-N 2.72Å; Y908-T910 VanDerWaalsContact O-N 3.1Å
911	M	82.5	Confident	86.9	Confident	75 Å²	75	54 Å²	54	37%	0.369	28%	0.279	S	S	.	.	S	Bend	trans	-113.9	146.7	-172.9	-55.3	-59.3	-172.4	0	0	111.8	K872 Y908 L919	K872-M911 WeakPolarHBondContact CE-O 3Å; K872-M911 PolarHBondContact NZ-O 3.08Å; Y908-M911 PolarHBondContact O-N 3.36Å; M911-L919 HydrophobicContact CG-CD2 4.33Å
912	R	81	Confident	86.6	Confident	162 Å²	162	61.1 Å²	61.1	61%	0.611	31%	0.31	S	S	*	.			trans	-75.5	148.7	172.6	-58.1	-178.5	-72.8	175.9	-0.9	109.6	Q914 E915	R912-Q914 PolarHBondContact O-N 2.77Å; R912-E915 HydrophobicContact CB-CG 4.39Å; R912-E915 VanDerWaalsContact CB-OE2 3.24Å; R912-E915 WeakPolarHBondContact CB-OE2 3.4Å; R912-E915 WeakPolarHBondContact CG-OE2 3.02Å; R912-E915 IonicContact CZ-OE1 3.4Å; R912-E915 PolarHBondContact N-OE2 3.12Å; R912-E915 IonicContact NE-OE1 3.15Å; R912-E915 PolarHBondContact NE-OE1 3.37Å; R912-E915 IonicContact NE-OE2 3.45Å; R912-E915 IonicContact NH2-OE1 2.68Å; R912-E915 PolarHBondContact NH2-OE1 3.48Å; R912-E915 PolarHBondContact O-N 2.75Å
913	P	80.3	Confident	86.2	Confident	40 Å²	40	62.5 Å²	62.5	26%	0.26	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.3	-179	-27.6	36.1	0	0	0	114.9	I871 E915	I871-P913 HydrophobicContact CB-CB 4.36Å; I871-P913 HydrophobicContact CD1-CB 3.96Å; P913-E915 VanDerWaalsContact C-N 3.34Å
914	Q	81	Confident	86.2	Confident	99 Å²	99	66.1 Å²	66.1	46%	0.463	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.5	175.5	-64.5	81.5	-3.7	0	0	114	G866 R912 P917	G866-Q914 PolarHBondContact O-NE2 3.46Å; G866-Q914 VanDerWaalsContact O-NE2 3.12Å; R912-Q914 PolarHBondContact O-N 2.77Å; Q914-P917 WeakPolarHBondContact O-CD 3.35Å
915	E	85.7	Confident	86.3	Confident	64 Å²	64	68.3 Å²	68.3	30%	0.299	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.4	-173.2	-64.4	159.6	162.2	0	0	112.4	R912 P913 L919	R912-E915 HydrophobicContact CB-CG 4.39Å; R912-E915 VanDerWaalsContact CB-OE2 3.24Å; R912-E915 WeakPolarHBondContact CB-OE2 3.4Å; R912-E915 WeakPolarHBondContact CG-OE2 3.02Å; R912-E915 IonicContact CZ-OE1 3.4Å; R912-E915 PolarHBondContact N-OE2 3.12Å; R912-E915 IonicContact NE-OE1 3.15Å; R912-E915 PolarHBondContact NE-OE1 3.37Å; R912-E915 IonicContact NE-OE2 3.45Å; R912-E915 IonicContact NH2-OE1 2.68Å; R912-E915 PolarHBondContact NH2-OE1 3.48Å; R912-E915 PolarHBondContact O-N 2.75Å; P913-E915 VanDerWaalsContact C-N 3.34Å; E915-L919 PolarHBondContact O-N 3.07Å
916	V	86.1	Confident	86.5	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-40.1	-179.9	-178.4	0	0	0	0	113.4	I871 K872 Y908 L919 L920	I871-V916 HydrophobicContact CG2-CB 4.37Å; K872-V916 HydrophobicContact CG-CG2 4.15Å; Y908-V916 HydrophobicContact CD2-CG1 4.24Å; Y908-V916 HydrophobicContact CE2-CG1 4.29Å; V916-L919 WeakPolarHBondContact O-CB 3.26Å; V916-L919 PolarHBondContact O-N 2.89Å; V916-L920 HydrophobicContact CG1-CD1 3.91Å; V916-L920 HydrophobicContact CG1-CG 4.19Å; V916-L920 WeakPolarHBondContact O-CG 3.45Å; V916-L920 PolarHBondContact O-N 3.39Å
917	P	86	Confident	86.7	Confident	17 Å²	17	65.6 Å²	65.6	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-52	179.2	-21	34.4	0	0	0	111.8	L876 I879 L880 Q914 L919 L920 E921	L876-P917 HydrophobicContact CD1-CB 4.36Å; I879-P917 HydrophobicContact CG2-CG 3.85Å; L880-P917 HydrophobicContact CD2-CB 4.34Å; Q914-P917 WeakPolarHBondContact O-CD 3.35Å; P917-L919 PolarHBondContact O-N 3.23Å; P917-L919 VanDerWaalsContact O-N 3.09Å; P917-L920 PolarHBondContact O-N 3.43Å; P917-E921 PolarHBondContact O-N 3.25Å
918	D	85.1	Confident	86.8	Confident	89 Å²	89	69 Å²	69	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-53	-31.2	175.4	-63	31.9	0	0	0	113	K922	D918-K922 WeakPolarHBondContact O-CD 3.41Å; D918-K922 VanDerWaalsContact O-CG 3.29Å; D918-K922 WeakPolarHBondContact O-CG 3.42Å; D918-K922 PolarHBondContact O-NZ 3.44Å
919	L	88.6	Confident	87	Confident	36 Å²	36	68.5 Å²	68.5	19%	0.188	36%	0.359	C	S	.	.	H	α-helix	trans	-76.3	-49.3	177	-173.6	67.4	0	0	0	110.8	Y908 M911 E915 V916 P917 E921 K922 E924	Y908-L919 HydrophobicContact CD1-CD2 3.72Å; Y908-L919 HydrophobicContact CE1-CD2 3.96Å; M911-L919 HydrophobicContact CG-CD2 4.33Å; E915-L919 PolarHBondContact O-N 3.07Å; V916-L919 WeakPolarHBondContact O-CB 3.26Å; V916-L919 PolarHBondContact O-N 2.89Å; P917-L919 PolarHBondContact O-N 3.23Å; P917-L919 VanDerWaalsContact O-N 3.09Å; L919-E921 PolarHBondContact O-N 2.89Å; L919-K922 PolarHBondContact O-N 2.95Å; L919-K922 VanDerWaalsContact O-N 3.16Å; L919-E924 HydrophobicContact CD1-CB 3.52Å; L919-E924 HydrophobicContact CD1-CG 3.77Å; L919-E924 HydrophobicContact CG-CB 3.73Å; L919-E924 HydrophobicContact CG-CG 4.5Å; L919-E924 WeakPolarHBondContact O-CB 3.42Å; L919-E924 PolarHBondContact O-N 3.09Å
920	L	89.1	Confident	87.1	Confident	1 Å²	1	73 Å²	73	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-37	-179.1	-70.3	177.5	0	0	0	113.3	L876 I879 W891 Y908 V916 P917 K922 G923 R925	L876-L920 HydrophobicContact CD1-CB 4.11Å; L876-L920 HydrophobicContact CD1-CD1 4.45Å; I879-L920 HydrophobicContact CD1-CD1 4.32Å; W891-L920 HydrophobicContact CH2-CD1 4.37Å; W891-L920 HydrophobicContact CH2-CD2 4.04Å; W891-L920 HydrophobicContact CZ2-CD1 3.74Å; W891-L920 HydrophobicContact CZ2-CD2 3.65Å; W891-L920 HydrophobicContact CZ2-CG 4.28Å; Y908-L920 WeakPolarHBondContact OH-CD2 3.41Å; V916-L920 HydrophobicContact CG1-CD1 3.91Å; V916-L920 HydrophobicContact CG1-CG 4.19Å; V916-L920 WeakPolarHBondContact O-CG 3.45Å; V916-L920 PolarHBondContact O-N 3.39Å; P917-L920 PolarHBondContact O-N 3.43Å; L920-K922 VanDerWaalsContact C-N 3.29Å; L920-K922 PolarHBondContact O-N 3.09Å; L920-G923 PolarHBondContact O-N 2.03Å; L920-G923 VanDerWaalsContact O-N 3.14Å; L920-R925 PolarHBondContact O-NH1 2.81Å
921	E	86	Confident	87.4	Confident	115 Å²	115	68 Å²	68	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-33.4	174.2	-76.2	-179.1	179.6	0	0	112.8	L876 L880 P917 L919 G923	L876-E921 HydrophobicContact CD1-CG 4.26Å; L876-E921 HydrophobicContact CD2-CG 3.89Å; L880-E921 WeakPolarHBondContact CD1-OE1 3.43Å; P917-E921 PolarHBondContact O-N 3.25Å; L919-E921 PolarHBondContact O-N 2.89Å; E921-G923 PolarHBondContact O-N 3Å
922	K	86.8	Confident	87.8	Confident	154 Å²	154	64.8 Å²	64.8	67%	0.67	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	0.7	175.9	-67.4	176.3	-171.7	79.9	0	113.4	D918 L919 L920 E924	D918-K922 WeakPolarHBondContact O-CD 3.41Å; D918-K922 VanDerWaalsContact O-CG 3.29Å; D918-K922 WeakPolarHBondContact O-CG 3.42Å; D918-K922 PolarHBondContact O-NZ 3.44Å; L919-K922 PolarHBondContact O-N 2.95Å; L919-K922 VanDerWaalsContact O-N 3.16Å; L920-K922 VanDerWaalsContact C-N 3.29Å; L920-K922 PolarHBondContact O-N 3.09Å; K922-E924 VanDerWaalsContact C-N 3.31Å
923	G	84.5	Confident	88.4	Confident	49 Å²	49	58.5 Å²	58.5	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-3.1	-177.6	0	0	0	0	0	114.8	L920 E921 R925	L920-G923 PolarHBondContact O-N 2.03Å; L920-G923 VanDerWaalsContact O-N 3.14Å; E921-G923 PolarHBondContact O-N 3Å; G923-R925 PolarHBondContact O-NH1 3.5Å
924	E	88.6	Confident	88.9	Confident	113 Å²	113	60.6 Å²	60.6	53%	0.528	31%	0.313	S	S	.	.			trans	-67.1	147.7	179.1	-68.9	-73.3	-177.9	0	0	111.7	L919 K922	L919-E924 HydrophobicContact CD1-CB 3.52Å; L919-E924 HydrophobicContact CD1-CG 3.77Å; L919-E924 HydrophobicContact CG-CB 3.73Å; L919-E924 HydrophobicContact CG-CG 4.5Å; L919-E924 WeakPolarHBondContact O-CB 3.42Å; L919-E924 PolarHBondContact O-N 3.09Å; K922-E924 VanDerWaalsContact C-N 3.31Å
925	R	92.8	Very high	89.4	Confident	49 Å²	49	59.5 Å²	59.5	19%	0.185	31%	0.31	C	S	.	.			trans	-143.9	169.8	-173.9	-65.2	-61.8	-178.3	-90.2	2.4	111.9	L920 G923 W944	L920-R925 PolarHBondContact O-NH1 2.81Å; G923-R925 PolarHBondContact O-NH1 3.5Å; R925-W944 HydrophobicContact CB-CE3 4.27Å; R925-W944 PolarHBondContact NE-O 3.24Å; R925-W944 PolarHBondContact NH2-O 3.16Å
926	L	93.7	Very high	89.8	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-64.6	131.8	172	-63.9	167.4	0	0	0	110.2	V895 W898 P907 Y908 Y937 W944	V895-L926 HydrophobicContact CG1-CD1 4.05Å; V895-L926 HydrophobicContact CG2-CD1 4.24Å; W898-L926 HydrophobicContact CB-CD1 4.3Å; W898-L926 HydrophobicContact CD2-CB 4.13Å; W898-L926 HydrophobicContact CD2-CD1 3.79Å; W898-L926 HydrophobicContact CD2-CD2 4.47Å; W898-L926 HydrophobicContact CD2-CG 4.34Å; W898-L926 HydrophobicContact CE3-CD1 3.98Å; W898-L926 HydrophobicContact CG-CB 4.15Å; W898-L926 HydrophobicContact CG-CD1 3.92Å; W898-L926 HydrophobicContact CH2-CD2 4.31Å; W898-L926 HydrophobicContact CZ2-CB 4.42Å; W898-L926 HydrophobicContact CZ2-CD2 4.23Å; W898-L926 HydrophobicContact CZ3-CD2 4.45Å; P907-L926 HydrophobicContact CB-CD1 4.15Å; P907-L926 HydrophobicContact CB-CD2 4.06Å; Y908-L926 HydrophobicContact CD1-CD2 3.77Å; Y908-L926 HydrophobicContact CD2-CD2 3.95Å; Y908-L926 HydrophobicContact CE1-CD2 3.64Å; Y908-L926 HydrophobicContact CE1-CG 3.91Å; Y908-L926 HydrophobicContact CE2-CD1 4.26Å; Y908-L926 HydrophobicContact CE2-CD2 3.82Å; Y908-L926 HydrophobicContact CE2-CG 3.97Å; Y908-L926 HydrophobicContact CG-CD2 3.92Å; L926-Y937 WeakPolarHBondContact O-CE2 3.49Å; L926-Y937 PolarHBondContact O-OH 2.95Å; L926-Y937 VanDerWaalsContact O-OH 3.1Å; L926-W944 HydrophobicContact CB-CH2 3.8Å; L926-W944 HydrophobicContact CB-CZ2 4.43Å; L926-W944 HydrophobicContact CB-CZ3 4.12Å; L926-W944 HydrophobicContact CD1-CH2 4.11Å; L926-W944 HydrophobicContact CD1-CZ2 3.91Å; L926-W944 HydrophobicContact CG-CH2 4.48Å
927	S	93.1	Very high	90.3	Very high	87 Å²	87	58.5 Å²	58.5	61%	0.608	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-71.2	155.8	-177.7	54.1	0	0	0	0	113.3	W898 P929	W898-S927 PolarHBondContact NE1-O 2.85Å; S927-P929 WeakPolarHBondContact O-CD 3.26Å
928	Q	94.3	Very high	90.8	Very high	71 Å²	71	62.4 Å²	62.4	33%	0.332	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-55.6	122.3	-180	-179.3	172.4	-5.8	0	0	112.5	C932 Y937	Q928-C932 PolarHBondContact NE2-O 3.21Å; Q928-Y937 HydrophobicContact CB-CD1 4.03Å; Q928-Y937 HydrophobicContact CB-CD2 3.87Å; Q928-Y937 HydrophobicContact CB-CE1 4.19Å; Q928-Y937 HydrophobicContact CB-CE2 4.03Å; Q928-Y937 HydrophobicContact CB-CG 3.86Å; Q928-Y937 HydrophobicContact CG-CD1 4.3Å; Q928-Y937 HydrophobicContact CG-CD2 4.22Å; Q928-Y937 HydrophobicContact CG-CG 3.91Å
929	P	93.1	Very high	91.4	Very high	7 Å²	7	58.8 Å²	58.8	5%	0.045	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-60.8	139.9	173.8	-22.8	33.9	0	0	0	111.4	W898 M901 S927 I931 C932 M940	W898-P929 HydrophobicContact CG-CG 4.3Å; M901-P929 HydrophobicContact CB-CB 3.97Å; M901-P929 HydrophobicContact CB-CG 4.01Å; S927-P929 WeakPolarHBondContact O-CD 3.26Å; P929-I931 PolarHBondContact O-N 3.27Å; P929-C932 HydrophobicContact CB-CB 4.47Å; P929-C932 PolarHBondContact O-N 2.82Å; P929-M940 HydrophobicContact CG-CE 4.16Å; P929-M940 HydrophobicContact CG-SD 4.37Å
930	Q	87.1	Confident	91.7	Very high	173 Å²	173	57.1 Å²	57.1	81%	0.808	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.4	-172.3	-67.1	-64.6	-75.3	0	0	115
931	I	89.8	Confident	92.1	Very high	18 Å²	18	59.2 Å²	59.2	9%	0.092	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-10.1	175.7	66.9	168.1	0	0	0	113.4	L806 M901 P929 L972 V973 I974	L806-I931 HydrophobicContact CD1-CD1 3.99Å; M901-I931 HydrophobicContact CB-CD1 4.28Å; M901-I931 HydrophobicContact CB-CG1 4.36Å; M901-I931 WeakPolarHBondContact O-CD1 3.47Å; M901-I931 WeakPolarHBondContact O-CG1 3.36Å; M901-I931 HydrophobicContact SD-CD1 4.05Å; P929-I931 PolarHBondContact O-N 3.27Å; I931-L972 HydrophobicContact CG1-CD2 4.44Å; I931-L972 CarbonylContact O-C 3.54Å; I931-L972 WeakPolarHBondContact O-CA 3.19Å; I931-V973 PolarHBondContact O-N 2.94Å; I931-I974 HydrophobicContact CB-CG1 4.35Å; I931-I974 HydrophobicContact CG2-CG1 4.2Å
932	C	91.9	Very high	92.5	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.054	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-93.3	137	-174.8	-68	0	0	0	0	112.1	Q928 P929 V936 L972	Q928-C932 PolarHBondContact NE2-O 3.21Å; P929-C932 HydrophobicContact CB-CB 4.47Å; P929-C932 PolarHBondContact O-N 2.82Å; C932-V936 HydrophobicContact CB-CB 4.21Å; C932-V936 HydrophobicContact CB-CG1 4.4Å; C932-L972 HydrophobicContact CB-CD2 4.4Å
933	T	93.1	Very high	93	Very high	31 Å²	31	52.4 Å²	52.4	19%	0.19	28%	0.275	C	S	.	.			trans	-72.8	170.2	161.4	67.6	0	0	0	0	111.3	D935 V936 Y937 R970 Y971 V973	T933-D935 PolarHBondContact O-N 3.09Å; T933-V936 PolarHBondContact O-N 2.9Å; T933-Y937 PolarHBondContact O-N 3.1Å; T933-R970 VanDerWaalsContact CG2-O 3.25Å; T933-R970 WeakPolarHBondContact CG2-O 3.46Å; T933-Y971 PolarHBondContact N-O 2.86Å; T933-Y971 PolarHBondContact OG1-O 3.17Å; T933-V973 HydrophobicContact CG2-CG2 4.08Å
934	I	90.6	Very high	93.6	Very high	84 Å²	84	50.1 Å²	50.1	43%	0.431	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-32.8	-178.4	-168.1	60.7	0	0	0	112.4	Y937 M938	I934-Y937 HydrophobicContact CD1-CD1 4.18Å; I934-Y937 PolarHBondContact O-N 2.97Å; I934-M938 HydrophobicContact CD1-CE 4.14Å; I934-M938 HydrophobicContact CD1-CG 4.46Å; I934-M938 HydrophobicContact CG1-CE 4.18Å; I934-M938 HydrophobicContact CG1-CG 4.2Å; I934-M938 WeakPolarHBondContact O-CB 3.23Å; I934-M938 VanDerWaalsContact O-CG 3.24Å; I934-M938 WeakPolarHBondContact O-CG 3.35Å; I934-M938 PolarHBondContact O-N 2.87Å
935	D	92.4	Very high	93.8	Very high	76 Å²	76	48.8 Å²	48.8	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-46.3	-178.8	-58.3	-52.9	0	0	0	112.3	T933 Y937 M938 V939 Y971	T933-D935 PolarHBondContact O-N 3.09Å; D935-Y937 VanDerWaalsContact C-N 3.34Å; D935-M938 PolarHBondContact O-N 2.88Å; D935-V939 PolarHBondContact O-N 3.23Å; D935-Y971 HydrophobicContact CB-CD1 3.95Å; D935-Y971 HydrophobicContact CB-CE1 3.91Å
936	V	93.9	Very high	93.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-40.5	178.1	-176.7	0	0	0	0	110.4	C932 T933 V939 M940 F961 M964 Y971 L972	C932-V936 HydrophobicContact CB-CB 4.21Å; C932-V936 HydrophobicContact CB-CG1 4.4Å; T933-V936 PolarHBondContact O-N 2.9Å; V936-V939 PolarHBondContact O-N 3.48Å; V936-M940 HydrophobicContact CG1-CE 4.22Å; V936-M940 PolarHBondContact O-N 3.19Å; V936-F961 HydrophobicContact CG1-CE1 4.27Å; V936-M964 HydrophobicContact CG2-SD 4Å; V936-Y971 HydrophobicContact CG2-CD1 4.27Å; V936-Y971 HydrophobicContact CG2-CG 4.42Å; V936-Y971 VanDerWaalsContact CG2-O 3.29Å; V936-Y971 WeakPolarHBondContact CG2-O 3.32Å; V936-L972 HydrophobicContact CG2-CD2 4.42Å
937	Y	96.9	Very high	93.5	Very high	43 Å²	43	54.1 Å²	54.1	17%	0.169	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-37.3	177.4	-178.3	-115.7	0	0	0	112.4	L926 Q928 T933 I934 D935 V939 M940 V941 W944	L926-Y937 WeakPolarHBondContact O-CE2 3.49Å; L926-Y937 PolarHBondContact O-OH 2.95Å; L926-Y937 VanDerWaalsContact O-OH 3.1Å; Q928-Y937 HydrophobicContact CB-CD1 4.03Å; Q928-Y937 HydrophobicContact CB-CD2 3.87Å; Q928-Y937 HydrophobicContact CB-CE1 4.19Å; Q928-Y937 HydrophobicContact CB-CE2 4.03Å; Q928-Y937 HydrophobicContact CB-CG 3.86Å; Q928-Y937 HydrophobicContact CG-CD1 4.3Å; Q928-Y937 HydrophobicContact CG-CD2 4.22Å; Q928-Y937 HydrophobicContact CG-CG 3.91Å; T933-Y937 PolarHBondContact O-N 3.1Å; I934-Y937 HydrophobicContact CD1-CD1 4.18Å; I934-Y937 PolarHBondContact O-N 2.97Å; D935-Y937 VanDerWaalsContact C-N 3.34Å; Y937-V939 VanDerWaalsContact C-N 3.26Å; Y937-V939 PolarHBondContact O-N 2.91Å; Y937-M940 HydrophobicContact CD2-SD 4.03Å; Y937-M940 WeakPolarHBondContact O-CA 3.47Å; Y937-M940 WeakPolarHBondContact O-CB 3.34Å; Y937-M940 PolarHBondContact O-N 3.23Å; Y937-V941 HydrophobicContact CD1-CG2 4.1Å; Y937-V941 HydrophobicContact CD2-CG2 4.45Å; Y937-V941 HydrophobicContact CE1-CG2 3.71Å; Y937-V941 HydrophobicContact CE2-CG2 4.1Å; Y937-V941 HydrophobicContact CG-CG2 4.46Å; Y937-V941 WeakPolarHBondContact O-CG2 3.46Å; Y937-V941 PolarHBondContact O-N 3.48Å; Y937-W944 HydrophobicContact CE2-CZ3 4.14Å
938	M	95.8	Very high	93.3	Very high	99 Å²	99	51.5 Å²	51.5	49%	0.488	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-32.5	174.5	-76.4	-68.4	-174.4	0	0	112.4	I934 D935 V941 K942	I934-M938 HydrophobicContact CD1-CE 4.14Å; I934-M938 HydrophobicContact CD1-CG 4.46Å; I934-M938 HydrophobicContact CG1-CE 4.18Å; I934-M938 HydrophobicContact CG1-CG 4.2Å; I934-M938 WeakPolarHBondContact O-CB 3.23Å; I934-M938 VanDerWaalsContact O-CG 3.24Å; I934-M938 WeakPolarHBondContact O-CG 3.35Å; I934-M938 PolarHBondContact O-N 2.87Å; D935-M938 PolarHBondContact O-N 2.88Å; M938-V941 PolarHBondContact O-N 3.23Å; M938-K942 WeakPolarHBondContact O-CB 3.33Å; M938-K942 VanDerWaalsContact O-CG 3.32Å; M938-K942 WeakPolarHBondContact O-CG 3.36Å; M938-K942 PolarHBondContact O-N 3.06Å
939	V	96.4	Very high	93	Very high	13 Å²	13	54.1 Å²	54.1	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-39.4	171.3	177.6	0	0	0	0	111.6	D935 V936 Y937 K942 C943 L957 F961 M964	D935-V939 PolarHBondContact O-N 3.23Å; V936-V939 PolarHBondContact O-N 3.48Å; Y937-V939 VanDerWaalsContact C-N 3.26Å; Y937-V939 PolarHBondContact O-N 2.91Å; V939-K942 PolarHBondContact O-N 3.17Å; V939-C943 PolarHBondContact O-N 2.89Å; V939-C943 PolarHBondContact O-SG 3.05Å; V939-L957 HydrophobicContact CG1-CD2 3.51Å; V939-F961 HydrophobicContact CB-CZ 4.47Å; V939-F961 HydrophobicContact CG1-CE2 3.6Å; V939-F961 HydrophobicContact CG1-CZ 3.97Å; V939-M964 HydrophobicContact CG2-CE 3.74Å
940	M	96.7	Very high	93	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-46.5	172.1	-59.4	169.6	178.2	0	0	111.4	V897 W898 M901 P929 V936 Y937 K942 C943 W944	V897-M940 HydrophobicContact CB-CE 4.47Å; V897-M940 HydrophobicContact CG1-CE 3.78Å; W898-M940 HydrophobicContact CB-SD 4.24Å; M901-M940 HydrophobicContact CB-CE 4.19Å; M901-M940 HydrophobicContact CG-CE 3.88Å; P929-M940 HydrophobicContact CG-CE 4.16Å; P929-M940 HydrophobicContact CG-SD 4.37Å; V936-M940 HydrophobicContact CG1-CE 4.22Å; V936-M940 PolarHBondContact O-N 3.19Å; Y937-M940 HydrophobicContact CD2-SD 4.03Å; Y937-M940 WeakPolarHBondContact O-CA 3.47Å; Y937-M940 WeakPolarHBondContact O-CB 3.34Å; Y937-M940 PolarHBondContact O-N 3.23Å; M940-K942 PolarHBondContact O-N 2.88Å; M940-C943 WeakPolarHBondContact O-CA 3.25Å; M940-C943 VanDerWaalsContact O-CB 3.3Å; M940-C943 WeakPolarHBondContact O-CB 3.45Å; M940-C943 PolarHBondContact O-N 2.91Å; M940-W944 HydrophobicContact CB-CE3 4.32Å; M940-W944 HydrophobicContact CB-CH2 3.66Å; M940-W944 HydrophobicContact CB-CZ2 4.01Å; M940-W944 HydrophobicContact CB-CZ3 3.84Å; M940-W944 HydrophobicContact CG-CH2 4.39Å; M940-W944 VanDerWaalsContact O-CD2 3.25Å; M940-W944 PolarHBondContact O-N 3.42Å; M940-W944 HydrophobicContact SD-CH2 4.28Å
941	V	95.9	Very high	93.4	Very high	44 Å²	44	49.6 Å²	49.6	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-40.6	178.9	172.6	0	0	0	0	111.7	Y937 M938 C943 W944 M945	Y937-V941 HydrophobicContact CD1-CG2 4.1Å; Y937-V941 HydrophobicContact CD2-CG2 4.45Å; Y937-V941 HydrophobicContact CE1-CG2 3.71Å; Y937-V941 HydrophobicContact CE2-CG2 4.1Å; Y937-V941 HydrophobicContact CG-CG2 4.46Å; Y937-V941 WeakPolarHBondContact O-CG2 3.46Å; Y937-V941 PolarHBondContact O-N 3.48Å; M938-V941 PolarHBondContact O-N 3.23Å; V941-C943 VanDerWaalsContact C-N 3.26Å; V941-C943 PolarHBondContact O-N 3.08Å; V941-W944 HydrophobicContact CG2-CE3 4.45Å; V941-W944 CarbonylContact O-C 3.56Å; V941-W944 WeakPolarHBondContact O-CA 3.49Å; V941-W944 PolarHBondContact O-N 3.44Å; V941-M945 PolarHBondContact O-N 3.48Å
942	K	95.9	Very high	93.8	Very high	125 Å²	125	49.8 Å²	49.8	54%	0.543	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-33.6	172.2	-77.7	177.9	178	-173.5	0	113	M938 V939 M940 W944 M945 P952	M938-K942 WeakPolarHBondContact O-CB 3.33Å; M938-K942 VanDerWaalsContact O-CG 3.32Å; M938-K942 WeakPolarHBondContact O-CG 3.36Å; M938-K942 PolarHBondContact O-N 3.06Å; V939-K942 PolarHBondContact O-N 3.17Å; M940-K942 PolarHBondContact O-N 2.88Å; K942-W944 VanDerWaalsContact C-N 3.25Å; K942-W944 PolarHBondContact O-N 3.46Å; K942-M945 WeakPolarHBondContact O-CG 3.12Å; K942-P952 HydrophobicContact CB-CG 4.29Å
943	C	97.2	Very high	94	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-70.7	-20.9	173.2	-59.4	0	0	0	0	112.9	V890 W891 V939 M940 V941	V890-C943 HydrophobicContact CG1-CB 4.02Å; V890-C943 WeakPolarHBondContact O-CB 3.32Å; W891-C943 WeakPolarHBondContact CA-O 3.35Å; V939-C943 PolarHBondContact O-N 2.89Å; V939-C943 PolarHBondContact O-SG 3.05Å; M940-C943 WeakPolarHBondContact O-CA 3.25Å; M940-C943 VanDerWaalsContact O-CB 3.3Å; M940-C943 WeakPolarHBondContact O-CB 3.45Å; M940-C943 PolarHBondContact O-N 2.91Å; V941-C943 VanDerWaalsContact C-N 3.26Å; V941-C943 PolarHBondContact O-N 3.08Å
944	W	96.2	Very high	94.2	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	21.3	-176.7	-52.7	-38.5	0	0	0	114.5	W891 G894 V895 W898 R925 L926 Y937 M940 V941 K942	W891-W944 HydrophobicContact CD2-CB 4.48Å; W891-W944 AromaticContact CD2-CD1 3.89Å; W891-W944 AromaticContact CE2-CD1 3.98Å; W891-W944 HydrophobicContact CE3-CB 4.24Å; W891-W944 HydrophobicContact CH2-CB 4.26Å; W891-W944 HydrophobicContact CZ2-CB 4.5Å; W891-W944 VanDerWaalsContact CZ3-C 3.47Å; W891-W944 HydrophobicContact CZ3-CB 4.13Å; W891-W944 VanDerWaalsContact CZ3-O 3.23Å; W891-W944 WeakPolarHBondContact CZ3-O 3.39Å; W891-W944 PolarHBondContact O-NE1 3.09Å; G894-W944 WeakPolarHBondContact O-CZ2 3.21Å; V895-W944 HydrophobicContact CG2-CZ2 4.4Å; W898-W944 HydrophobicContact CB-CH2 4.03Å; W898-W944 HydrophobicContact CB-CZ2 3.98Å; W898-W944 AromaticContact CD1-CH2 3.93Å; W898-W944 HydrophobicContact CG-CH2 4.17Å; W898-W944 HydrophobicContact CG-CZ2 4.49Å; R925-W944 HydrophobicContact CB-CE3 4.27Å; R925-W944 PolarHBondContact NE-O 3.24Å; R925-W944 PolarHBondContact NH2-O 3.16Å; L926-W944 HydrophobicContact CB-CH2 3.8Å; L926-W944 HydrophobicContact CB-CZ2 4.43Å; L926-W944 HydrophobicContact CB-CZ3 4.12Å; L926-W944 HydrophobicContact CD1-CH2 4.11Å; L926-W944 HydrophobicContact CD1-CZ2 3.91Å; L926-W944 HydrophobicContact CG-CH2 4.48Å; Y937-W944 HydrophobicContact CE2-CZ3 4.14Å; M940-W944 HydrophobicContact CB-CE3 4.32Å; M940-W944 HydrophobicContact CB-CH2 3.66Å; M940-W944 HydrophobicContact CB-CZ2 4.01Å; M940-W944 HydrophobicContact CB-CZ3 3.84Å; M940-W944 HydrophobicContact CG-CH2 4.39Å; M940-W944 VanDerWaalsContact O-CD2 3.25Å; M940-W944 PolarHBondContact O-N 3.42Å; M940-W944 HydrophobicContact SD-CH2 4.28Å; V941-W944 HydrophobicContact CG2-CE3 4.45Å; V941-W944 CarbonylContact O-C 3.56Å; V941-W944 WeakPolarHBondContact O-CA 3.49Å; V941-W944 PolarHBondContact O-N 3.44Å; K942-W944 VanDerWaalsContact C-N 3.25Å; K942-W944 PolarHBondContact O-N 3.46Å
945	M	94.1	Very high	94.4	Very high	84 Å²	84	53.6 Å²	53.6	41%	0.414	27%	0.272	S	S	.	.			trans	-64.5	141.9	170.4	-66.4	-62.4	-70.2	0	0	110.6	V941 K942 D947 V950 R951	V941-M945 PolarHBondContact O-N 3.48Å; K942-M945 WeakPolarHBondContact O-CG 3.12Å; M945-D947 CarbonylContact C-O 3.47Å; M945-V950 HydrophobicContact CB-CG2 3.63Å; M945-V950 HydrophobicContact CE-CG2 4Å; M945-V950 HydrophobicContact CG-CG2 3.93Å; M945-R951 HydrophobicContact CB-CG 4.17Å; M945-R951 PolarHBondContact O-NE 2.67Å; M945-R951 PolarHBondContact O-NH2 3.18Å; M945-R951 VanDerWaalsContact O-NH2 3.14Å
946	I	89	Confident	94.6	Very high	90 Å²	90	55.2 Å²	55.2	46%	0.462	28%	0.277	S	S	.	.	S	Bend	trans	-64.8	-53.7	179.9	-67	-66.9	0	0	0	110.2	L876 E948 R951	L876-I946 HydrophobicContact CD2-CD1 3.78Å; I946-E948 PolarHBondContact O-N 3.2Å; I946-R951 PolarHBondContact O-NH2 3.29Å
947	D	89.2	Confident	94.7	Very high	78 Å²	78	55.3 Å²	55.3	42%	0.417	28%	0.277	S	S	.	.	S	Bend	trans	-61.4	134.4	168.7	-179.8	12.4	0	0	0	109.8	M945 N949 V950	M945-D947 CarbonylContact C-O 3.47Å; D947-N949 PolarHBondContact OD1-N 3.24Å; D947-N949 PolarHBondContact OD1-ND2 3.01Å; D947-V950 HydrophobicContact CB-CG2 4.03Å
948	E	90.4	Very high	94.7	Very high	33 Å²	33	53.7 Å²	53.7	15%	0.154	27%	0.273	C	S	.	.	S	Bend	trans	-80.1	-27.6	-179.8	79.5	-166.6	123	0	0	112.2	R883 Q887 I946 V950 R951	R883-E948 IonicContact CZ-OE1 2.69Å; R883-E948 IonicContact CZ-OE2 3.81Å; R883-E948 IonicContact NH1-OE1 3.79Å; R883-E948 PolarHBondContact NH1-OE1 2.93Å; R883-E948 IonicContact NH1-OE2 3.12Å; R883-E948 PolarHBondContact NH1-OE2 3.16Å; R883-E948 VanDerWaalsContact NH2-CD 3.29Å; R883-E948 IonicContact NH2-OE1 2.67Å; R883-E948 PolarHBondContact NH2-OE1 2.87Å; R883-E948 IonicContact NH2-OE2 3.6Å; R883-E948 PolarHBondContact NH2-OE2 3.25Å; Q887-E948 HydrophobicContact CB-CB 3.86Å; Q887-E948 HydrophobicContact CB-CG 4.48Å; Q887-E948 HydrophobicContact CG-CB 4.3Å; Q887-E948 HydrophobicContact CG-CG 4.5Å; Q887-E948 PolarHBondContact NE2-O 2.84Å; I946-E948 PolarHBondContact O-N 3.2Å; E948-V950 VanDerWaalsContact C-N 3.27Å; E948-V950 PolarHBondContact O-N 2.64Å; E948-R951 WeakPolarHBondContact O-CB 3.43Å; E948-R951 PolarHBondContact O-N 3.16Å
949	N	88.1	Confident	94.6	Very high	125 Å²	125	51 Å²	51	67%	0.668	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.2	-171.4	-58	-76.8	0	0	0	112.3	D947	D947-N949 PolarHBondContact OD1-N 3.24Å; D947-N949 PolarHBondContact OD1-ND2 3.01Å
950	V	92.4	Very high	94.5	Very high	80 Å²	80	53.4 Å²	53.4	49%	0.485	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	0.6	175.7	-57.8	0	0	0	0	113.5	M945 D947 E948	M945-V950 HydrophobicContact CB-CG2 3.63Å; M945-V950 HydrophobicContact CE-CG2 4Å; M945-V950 HydrophobicContact CG-CG2 3.93Å; D947-V950 HydrophobicContact CB-CG2 4.03Å; E948-V950 VanDerWaalsContact C-N 3.27Å; E948-V950 PolarHBondContact O-N 2.64Å
951	R	96.6	Very high	94.4	Very high	6 Å²	6	53.4 Å²	53.4	2%	0.023	28%	0.281	C	S	.	.	S	Bend	trans	-79.5	136.2	173.4	-57.1	178.4	-165.1	160.4	8.4	109.2	E877 Q887 V890 M945 I946 E948	E877-R951 IonicContact OE1-CZ 3.68Å; E877-R951 IonicContact OE1-NH1 3.92Å; E877-R951 PolarHBondContact OE1-NH1 2.94Å; E877-R951 IonicContact OE1-NH2 2.75Å; E877-R951 PolarHBondContact OE1-NH2 3.3Å; E877-R951 IonicContact OE2-CZ 2.73Å; E877-R951 IonicContact OE2-NH1 2.76Å; E877-R951 IonicContact OE2-NH2 3.58Å; E877-R951 PolarHBondContact OE2-NH2 3Å; Q887-R951 PolarHBondContact NE2-O 2.94Å; Q887-R951 PolarHBondContact O-NH1 2.71Å; V890-R951 HydrophobicContact CG1-CB 3.99Å; M945-R951 HydrophobicContact CB-CG 4.17Å; M945-R951 PolarHBondContact O-NE 2.67Å; M945-R951 PolarHBondContact O-NH2 3.18Å; M945-R951 VanDerWaalsContact O-NH2 3.14Å; I946-R951 PolarHBondContact O-NH2 3.29Å; E948-R951 WeakPolarHBondContact O-CB 3.43Å; E948-R951 PolarHBondContact O-N 3.16Å
952	P	96.9	Very high	94.4	Very high	22 Å²	22	53.3 Å²	53.3	14%	0.143	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.8	144.7	-177.6	29.4	-36.1	0	0	0	111.8	V890 K942 E956 L957	V890-P952 WeakPolarHBondContact CG1-O 3.31Å; V890-P952 WeakPolarHBondContact CG2-O 3.48Å; K942-P952 HydrophobicContact CB-CG 4.29Å; P952-E956 HydrophobicContact CB-CB 4.39Å; P952-L957 HydrophobicContact CB-CD2 4.33Å; P952-L957 HydrophobicContact CB-CG 4.18Å; P952-L957 HydrophobicContact CG-CD1 4.3Å; P952-L957 HydrophobicContact CG-CD2 3.72Å; P952-L957 HydrophobicContact CG-CG 3.95Å
953	T	96.2	Very high	94.3	Very high	50 Å²	50	54 Å²	54	31%	0.307	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-67.3	160.2	175.8	62.4	0	0	0	0	111.9	K955 E956 L957	T953-K955 PolarHBondContact O-N 2.85Å; T953-E956 WeakPolarHBondContact CB-OE2 3.33Å; T953-E956 WeakPolarHBondContact CG2-OE2 3.02Å; T953-E956 PolarHBondContact N-OE2 3.16Å; T953-E956 PolarHBondContact O-N 3.02Å; T953-E956 VanDerWaalsContact O-N 3.17Å; T953-E956 WeakPolarHBondContact OG1-CG 3.48Å; T953-E956 PolarHBondContact OG1-N 2.83Å; T953-E956 PolarHBondContact OG1-OE2 3.47Å; T953-L957 WeakPolarHBondContact O-CG 3.14Å; T953-L957 PolarHBondContact O-N 3.32Å
954	F	97.2	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-27.2	175.6	-75.5	-66	0	0	0	113.3	M817 N818 D889 V890 Y893 L957 A958	M817-F954 HydrophobicContact CB-CB 4.35Å; M817-F954 HydrophobicContact CB-CD1 3.37Å; M817-F954 HydrophobicContact CB-CD2 3.81Å; M817-F954 HydrophobicContact CB-CE1 3.41Å; M817-F954 VanDerWaalsContact CB-CE1 3.41Å; M817-F954 HydrophobicContact CB-CE2 3.85Å; M817-F954 HydrophobicContact CB-CG 3.57Å; M817-F954 HydrophobicContact CB-CZ 3.65Å; M817-F954 HydrophobicContact CE-CE2 3.8Å; M817-F954 HydrophobicContact CE-CZ 3.76Å; M817-F954 HydrophobicContact CG-CD1 4.13Å; M817-F954 HydrophobicContact CG-CE1 3.67Å; M817-F954 HydrophobicContact CG-CE2 4.43Å; M817-F954 HydrophobicContact CG-CZ 3.83Å; N818-F954 HydrophobicContact CB-CB 3.83Å; D889-F954 HydrophobicContact CB-CE2 4.08Å; D889-F954 HydrophobicContact CB-CZ 3.92Å; V890-F954 HydrophobicContact CB-CZ 4.33Å; V890-F954 HydrophobicContact CG2-CD1 4.41Å; V890-F954 HydrophobicContact CG2-CD2 3.98Å; V890-F954 HydrophobicContact CG2-CE1 4.07Å; V890-F954 HydrophobicContact CG2-CE2 3.6Å; V890-F954 HydrophobicContact CG2-CG 4.38Å; V890-F954 HydrophobicContact CG2-CZ 3.66Å; Y893-F954 HydrophobicContact CD2-CE1 4.15Å; Y893-F954 AromaticContact CG-CE1 3.92Å; Y893-F954 HydrophobicContact CG-CE1 3.92Å; F954-L957 HydrophobicContact CD1-CD1 4.1Å; F954-L957 HydrophobicContact CE1-CD1 4.41Å; F954-A958 VanDerWaalsContact O-CB 3.27Å; F954-A958 WeakPolarHBondContact O-CB 3.49Å; F954-A958 PolarHBondContact O-N 3.24Å
955	K	95	Very high	93.8	Very high	153 Å²	153	54.7 Å²	54.7	67%	0.665	29%	0.285	S	S	*	.	H	α-helix	trans	-63	-47.7	172.5	-168	173.7	-179.6	176.3	0	112.3	N818 T953 A958 G959	N818-K955 WeakPolarHBondContact OD1-CA 3.21Å; N818-K955 VanDerWaalsContact OD1-CB 3.31Å; N818-K955 WeakPolarHBondContact OD1-CB 3.42Å; N818-K955 PolarHBondContact OD1-N 3.09Å; T953-K955 PolarHBondContact O-N 2.85Å; K955-A958 PolarHBondContact O-N 2.84Å; K955-G959 PolarHBondContact O-N 2.88Å; K955-G959 VanDerWaalsContact O-N 3.08Å
956	E	96.4	Very high	93.6	Very high	109 Å²	109	60.3 Å²	60.3	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-68.3	-43.2	177.7	-69	162.7	122.9	0	0	111.2	P952 T953 A958 G959 E960	P952-E956 HydrophobicContact CB-CB 4.39Å; T953-E956 WeakPolarHBondContact CB-OE2 3.33Å; T953-E956 WeakPolarHBondContact CG2-OE2 3.02Å; T953-E956 PolarHBondContact N-OE2 3.16Å; T953-E956 PolarHBondContact O-N 3.02Å; T953-E956 VanDerWaalsContact O-N 3.17Å; T953-E956 WeakPolarHBondContact OG1-CG 3.48Å; T953-E956 PolarHBondContact OG1-N 2.83Å; T953-E956 PolarHBondContact OG1-OE2 3.47Å; E956-A958 VanDerWaalsContact C-N 3.34Å; E956-A958 PolarHBondContact O-N 3.39Å; E956-G959 CarbonylContact O-C 3.26Å; E956-G959 WeakPolarHBondContact O-CA 3.45Å; E956-G959 PolarHBondContact O-N 2.97Å; E956-G959 VanDerWaalsContact O-N 3.08Å; E956-E960 PolarHBondContact O-N 3.42Å
957	L	97.3	Very high	93.6	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-43.2	174.7	-71.5	168.9	0	0	0	111.9	A814 V890 Y893 V939 P952 T953 F954 G959 E960 F961	A814-L957 HydrophobicContact CB-CB 4.31Å; V890-L957 HydrophobicContact CG1-CD1 4.1Å; V890-L957 HydrophobicContact CG2-CD1 4.38Å; Y893-L957 HydrophobicContact CD1-CD1 3.85Å; Y893-L957 HydrophobicContact CE1-CB 4.38Å; Y893-L957 HydrophobicContact CE1-CD1 3.98Å; Y893-L957 HydrophobicContact CE1-CD2 4.15Å; Y893-L957 HydrophobicContact CE1-CG 4.42Å; V939-L957 HydrophobicContact CG1-CD2 3.51Å; P952-L957 HydrophobicContact CB-CD2 4.33Å; P952-L957 HydrophobicContact CB-CG 4.18Å; P952-L957 HydrophobicContact CG-CD1 4.3Å; P952-L957 HydrophobicContact CG-CD2 3.72Å; P952-L957 HydrophobicContact CG-CG 3.95Å; T953-L957 WeakPolarHBondContact O-CG 3.14Å; T953-L957 PolarHBondContact O-N 3.32Å; F954-L957 HydrophobicContact CD1-CD1 4.1Å; F954-L957 HydrophobicContact CE1-CD1 4.41Å; L957-G959 VanDerWaalsContact C-N 3.3Å; L957-G959 PolarHBondContact O-N 3.42Å; L957-E960 PolarHBondContact O-N 3.49Å; L957-F961 HydrophobicContact CD2-CE2 4.4Å; L957-F961 WeakPolarHBondContact O-CD2 3.45Å; L957-F961 PolarHBondContact O-N 2.98Å
958	A	96	Very high	93.5	Very high	10 Å²	10	56.1 Å²	56.1	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-37.5	174.4	0	0	0	0	0	111.9	A814 K815 F954 K955 E956 T962	A814-A958 HydrophobicContact CB-CB 3.84Å; K815-A958 HydrophobicContact CG-CB 3.99Å; F954-A958 VanDerWaalsContact O-CB 3.27Å; F954-A958 WeakPolarHBondContact O-CB 3.49Å; F954-A958 PolarHBondContact O-N 3.24Å; K955-A958 PolarHBondContact O-N 2.84Å; E956-A958 VanDerWaalsContact C-N 3.34Å; E956-A958 PolarHBondContact O-N 3.39Å; A958-T962 WeakPolarHBondContact O-CB 3.26Å; A958-T962 PolarHBondContact O-N 3.06Å; A958-T962 VanDerWaalsContact O-N 3.08Å; A958-T962 PolarHBondContact O-OG1 3.45Å
959	G	93.8	Very high	93.3	Very high	41 Å²	41	59 Å²	59	42%	0.423	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-50.6	174	0	0	0	0	0	113	K955 E956 L957 T962 R963	K955-G959 PolarHBondContact O-N 2.88Å; K955-G959 VanDerWaalsContact O-N 3.08Å; E956-G959 CarbonylContact O-C 3.26Å; E956-G959 WeakPolarHBondContact O-CA 3.45Å; E956-G959 PolarHBondContact O-N 2.97Å; E956-G959 VanDerWaalsContact O-N 3.08Å; L957-G959 VanDerWaalsContact C-N 3.3Å; L957-G959 PolarHBondContact O-N 3.42Å; G959-T962 CarbonylContact O-C 3.52Å; G959-T962 WeakPolarHBondContact O-CB 3.46Å; G959-T962 PolarHBondContact O-N 2.82Å; G959-T962 VanDerWaalsContact O-N 3.14Å; G959-R963 PolarHBondContact O-N 3.33Å
960	E	94.4	Very high	93.3	Very high	64 Å²	64	60.3 Å²	60.3	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-50.9	-179.9	-81.9	-61.5	158.6	0	0	112.5	E956 L957 T962 R963 M964	E956-E960 PolarHBondContact O-N 3.42Å; L957-E960 PolarHBondContact O-N 3.49Å; E960-T962 PolarHBondContact O-N 3.3Å; E960-R963 WeakPolarHBondContact O-CB 3.41Å; E960-R963 PolarHBondContact O-N 3.47Å; E960-R963 VanDerWaalsContact O-N 3.08Å; E960-R963 IonicContact OE1-CZ 2.7Å; E960-R963 IonicContact OE1-NE 2.74Å; E960-R963 IonicContact OE1-NH2 2.63Å; E960-R963 PolarHBondContact OE1-NH2 3.18Å; E960-R963 IonicContact OE2-CZ 2.78Å; E960-R963 IonicContact OE2-NE 3Å; E960-R963 PolarHBondContact OE2-NE 3.02Å; E960-R963 IonicContact OE2-NH2 2.65Å; E960-R963 PolarHBondContact OE2-NH2 2.86Å; E960-M964 WeakPolarHBondContact O-CG 3.29Å; E960-M964 PolarHBondContact O-N 2.89Å
961	F	95.3	Very high	93.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-27	175.5	-77.4	-76.7	0	0	0	112.2	L807 C810 V811 Y893 V897 V936 V939 L957 M964 A965	L807-F961 HydrophobicContact CD2-CD1 4.06Å; L807-F961 HydrophobicContact CD2-CE1 4.33Å; C810-F961 HydrophobicContact CB-CB 4.15Å; C810-F961 HydrophobicContact CB-CD1 3.52Å; C810-F961 HydrophobicContact CB-CD2 4.26Å; C810-F961 HydrophobicContact CB-CE1 3.94Å; C810-F961 HydrophobicContact CB-CG 3.71Å; C810-F961 HydrophobicContact CB-CZ 4.47Å; V811-F961 HydrophobicContact CG2-CB 3.62Å; V811-F961 WeakPolarHBondContact CG2-O 3.46Å; Y893-F961 HydrophobicContact CE1-CD2 4.41Å; Y893-F961 AromaticContact CE1-CE2 3.89Å; Y893-F961 HydrophobicContact CE1-CE2 3.89Å; Y893-F961 WeakPolarHBondContact OH-CD2 3.49Å; Y893-F961 WeakPolarHBondContact OH-CE2 3.23Å; V897-F961 HydrophobicContact CG1-CE1 4.31Å; V897-F961 HydrophobicContact CG1-CZ 4.06Å; V936-F961 HydrophobicContact CG1-CE1 4.27Å; V939-F961 HydrophobicContact CB-CZ 4.47Å; V939-F961 HydrophobicContact CG1-CE2 3.6Å; V939-F961 HydrophobicContact CG1-CZ 3.97Å; L957-F961 HydrophobicContact CD2-CE2 4.4Å; L957-F961 WeakPolarHBondContact O-CD2 3.45Å; L957-F961 PolarHBondContact O-N 2.98Å; F961-M964 HydrophobicContact CD1-SD 4.14Å; F961-M964 HydrophobicContact CE1-SD 4.23Å; F961-M964 PolarHBondContact O-N 3.39Å; F961-A965 WeakPolarHBondContact O-CB 3.23Å; F961-A965 PolarHBondContact O-N 3.26Å
962	T	95.6	Very high	92.8	Very high	43 Å²	43	57.3 Å²	57.3	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-70.3	-32.8	172.3	-63.4	0	0	0	0	111.7	V811 A958 G959 E960	V811-T962 WeakPolarHBondContact CG1-OG1 3.46Å; A958-T962 WeakPolarHBondContact O-CB 3.26Å; A958-T962 PolarHBondContact O-N 3.06Å; A958-T962 VanDerWaalsContact O-N 3.08Å; A958-T962 PolarHBondContact O-OG1 3.45Å; G959-T962 CarbonylContact O-C 3.52Å; G959-T962 WeakPolarHBondContact O-CB 3.46Å; G959-T962 PolarHBondContact O-N 2.82Å; G959-T962 VanDerWaalsContact O-N 3.14Å; E960-T962 PolarHBondContact O-N 3.3Å
963	R	93.4	Very high	92.3	Very high	140 Å²	140	59.9 Å²	59.9	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-67	-48.8	171.6	179.4	171.4	69	145.6	-3.5	110.6	G959 E960 A965 R966	G959-R963 PolarHBondContact O-N 3.33Å; E960-R963 WeakPolarHBondContact O-CB 3.41Å; E960-R963 PolarHBondContact O-N 3.47Å; E960-R963 VanDerWaalsContact O-N 3.08Å; E960-R963 IonicContact OE1-CZ 2.7Å; E960-R963 IonicContact OE1-NE 2.74Å; E960-R963 IonicContact OE1-NH2 2.63Å; E960-R963 PolarHBondContact OE1-NH2 3.18Å; E960-R963 IonicContact OE2-CZ 2.78Å; E960-R963 IonicContact OE2-NE 3Å; E960-R963 PolarHBondContact OE2-NE 3.02Å; E960-R963 IonicContact OE2-NH2 2.65Å; E960-R963 PolarHBondContact OE2-NH2 2.86Å; R963-A965 VanDerWaalsContact C-N 3.33Å; R963-A965 PolarHBondContact O-N 3.14Å; R963-R966 WeakPolarHBondContact O-CB 3.2Å; R963-R966 PolarHBondContact O-N 3.24Å
964	M	94.1	Very high	91.5	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-38.8	178.5	-64.2	174.3	-176.5	0	0	112.5	L807 V936 V939 E960 F961 R966 D967 Y971	L807-M964 HydrophobicContact CD1-CB 4.29Å; L807-M964 HydrophobicContact CD2-CB 4.43Å; V936-M964 HydrophobicContact CG2-SD 4Å; V939-M964 HydrophobicContact CG2-CE 3.74Å; E960-M964 WeakPolarHBondContact O-CG 3.29Å; E960-M964 PolarHBondContact O-N 2.89Å; F961-M964 HydrophobicContact CD1-SD 4.14Å; F961-M964 HydrophobicContact CE1-SD 4.23Å; F961-M964 PolarHBondContact O-N 3.39Å; M964-R966 PolarHBondContact O-N 3.41Å; M964-R966 VanDerWaalsContact O-N 3.07Å; M964-D967 CarbonylContact O-C 3.46Å; M964-D967 PolarHBondContact O-N 2.73Å; M964-D967 VanDerWaalsContact O-N 3.13Å; M964-Y971 HydrophobicContact CB-CD1 4.46Å; M964-Y971 HydrophobicContact CB-CD2 3.71Å; M964-Y971 HydrophobicContact CB-CE2 4.11Å; M964-Y971 HydrophobicContact CB-CG 3.91Å; M964-Y971 HydrophobicContact CG-CD1 3.9Å; M964-Y971 HydrophobicContact CG-CD2 3.96Å; M964-Y971 HydrophobicContact CG-CE1 4.02Å; M964-Y971 HydrophobicContact CG-CE2 4.08Å; M964-Y971 HydrophobicContact CG-CG 3.87Å; M964-Y971 WeakPolarHBondContact O-CD2 3.49Å; M964-Y971 HydrophobicContact SD-CD1 4.39Å
965	A	88.9	Confident	89.6	Confident	12 Å²	12	68.6 Å²	68.6	10%	0.099	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.8	178.1	0	0	0	0	0	114.8	Q804 L807 V811 F961 R963	Q804-A965 PolarHBondContact NE2-O 2.87Å; Q804-A965 PolarHBondContact OE1-O 3.22Å; L807-A965 HydrophobicContact CB-CB 3.98Å; V811-A965 HydrophobicContact CG2-CB 4.45Å; F961-A965 WeakPolarHBondContact O-CB 3.23Å; F961-A965 PolarHBondContact O-N 3.26Å; R963-A965 VanDerWaalsContact C-N 3.33Å; R963-A965 PolarHBondContact O-N 3.14Å
966	R	89.5	Confident	87.2	Confident	202 Å²	202	69 Å²	69	76%	0.762	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-23.1	170.8	-65.2	174.4	-176.2	-171.1	-0.9	113.3	R963 M964	R963-R966 WeakPolarHBondContact O-CB 3.2Å; R963-R966 PolarHBondContact O-N 3.24Å; M964-R966 PolarHBondContact O-N 3.41Å; M964-R966 VanDerWaalsContact O-N 3.07Å
967	D	88.1	Confident	84.1	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-140.1	66.8	179.9	-179.9	14.2	0	0	0	110.5	M964 P969 R970 Y971	M964-D967 CarbonylContact O-C 3.46Å; M964-D967 PolarHBondContact O-N 2.73Å; M964-D967 VanDerWaalsContact O-N 3.13Å; D967-P969 VanDerWaalsContact C-CD 3.44Å; D967-R970 HydrophobicContact CB-CB 4.47Å; D967-R970 PolarHBondContact O-N 2.97Å; D967-R970 WeakPolarHBondContact OD2-CB 3.14Å; D967-R970 WeakPolarHBondContact OD2-CD 3.28Å; D967-Y971 VanDerWaalsContact O-CD2 3.23Å; D967-Y971 WeakPolarHBondContact O-CD2 3.36Å
968	P	87.6	Confident	81.1	Confident	11 Å²	11	75.3 Å²	75.3	7%	0.071	38%	0.377	C	S	.	.	H	α-helix	trans	-55.8	-39.5	-174.2	-24.7	33.6	0	0	0	116.4	P803 Q804 L807 R970 Y971 L972	P803-P968 HydrophobicContact CB-CB 3.56Å; Q804-P968 HydrophobicContact CB-CG 3.98Å; Q804-P968 HydrophobicContact CG-CG 4.44Å; Q804-P968 VanDerWaalsContact OE1-CG 3.28Å; L807-P968 HydrophobicContact CD1-CB 3.89Å; L807-P968 HydrophobicContact CD1-CG 4.3Å; P968-R970 PolarHBondContact O-N 3.03Å; P968-Y971 PolarHBondContact O-N 2.89Å; P968-L972 PolarHBondContact O-N 3.13Å
969	P	86	Confident	77.8	Confident	94 Å²	94	82.1 Å²	82.1	61%	0.61	41%	0.407	S	S	*	.	H	α-helix	trans	-62.1	-28.3	-178.4	-24.7	35.9	0	0	0	114.2	D967 Y971	D967-P969 VanDerWaalsContact C-CD 3.44Å; P969-Y971 VanDerWaalsContact C-N 3.28Å; P969-Y971 PolarHBondContact O-N 3.2Å
970	R	88.8	Confident	75	Confident	153 Å²	153	89.6 Å²	89.6	58%	0.577	43%	0.43	S	S	*	.	H	α-helix	trans	-68.3	-26.6	174.2	176.9	176.9	179.9	160.8	3.4	113.3	T933 D967 P968	T933-R970 VanDerWaalsContact CG2-O 3.25Å; T933-R970 WeakPolarHBondContact CG2-O 3.46Å; D967-R970 HydrophobicContact CB-CB 4.47Å; D967-R970 PolarHBondContact O-N 2.97Å; D967-R970 WeakPolarHBondContact OD2-CB 3.14Å; D967-R970 WeakPolarHBondContact OD2-CD 3.28Å; P968-R970 PolarHBondContact O-N 3.03Å
971	Y	89.3	Confident	71.9	Confident	20 Å²	20	93.2 Å²	93.2	8%	0.078	45%	0.452	C	S	.	.	H	α-helix	trans	-108.5	-27.7	-171.8	-66.7	-66.5	0	0	0	113.6	T933 D935 V936 M964 D967 P968 P969	T933-Y971 PolarHBondContact N-O 2.86Å; T933-Y971 PolarHBondContact OG1-O 3.17Å; D935-Y971 HydrophobicContact CB-CD1 3.95Å; D935-Y971 HydrophobicContact CB-CE1 3.91Å; V936-Y971 HydrophobicContact CG2-CD1 4.27Å; V936-Y971 HydrophobicContact CG2-CG 4.42Å; V936-Y971 VanDerWaalsContact CG2-O 3.29Å; V936-Y971 WeakPolarHBondContact CG2-O 3.32Å; M964-Y971 HydrophobicContact CB-CD1 4.46Å; M964-Y971 HydrophobicContact CB-CD2 3.71Å; M964-Y971 HydrophobicContact CB-CE2 4.11Å; M964-Y971 HydrophobicContact CB-CG 3.91Å; M964-Y971 HydrophobicContact CG-CD1 3.9Å; M964-Y971 HydrophobicContact CG-CD2 3.96Å; M964-Y971 HydrophobicContact CG-CE1 4.02Å; M964-Y971 HydrophobicContact CG-CE2 4.08Å; M964-Y971 HydrophobicContact CG-CG 3.87Å; M964-Y971 WeakPolarHBondContact O-CD2 3.49Å; M964-Y971 HydrophobicContact SD-CD1 4.39Å; D967-Y971 VanDerWaalsContact O-CD2 3.23Å; D967-Y971 WeakPolarHBondContact O-CD2 3.36Å; P968-Y971 PolarHBondContact O-N 2.89Å; P969-Y971 VanDerWaalsContact C-N 3.28Å; P969-Y971 PolarHBondContact O-N 3.2Å
972	L	89.9	Confident	68.6	Low	2 Å²	2	97.3 Å²	97.3	1%	0.01	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-130.1	118.5	176.3	-61	177.5	0	0	0	111.6	P803 L806 L807 M901 I931 C932 V936 P968	P803-L972 HydrophobicContact CB-CB 4.08Å; P803-L972 HydrophobicContact CB-CD1 4.25Å; L806-L972 HydrophobicContact CB-CD1 4.08Å; L806-L972 HydrophobicContact CD1-CD1 4.26Å; L807-L972 HydrophobicContact CD1-CD1 4.24Å; L807-L972 HydrophobicContact CD1-CG 4.45Å; L807-L972 HydrophobicContact CD2-CD1 3.96Å; L807-L972 HydrophobicContact CD2-CG 4.26Å; L807-L972 HydrophobicContact CG-CD1 3.76Å; L807-L972 HydrophobicContact CG-CG 4.34Å; M901-L972 HydrophobicContact CE-CD1 3.94Å; M901-L972 HydrophobicContact CE-CD2 4.12Å; M901-L972 HydrophobicContact SD-CD1 3.88Å; M901-L972 HydrophobicContact SD-CD2 3.75Å; I931-L972 HydrophobicContact CG1-CD2 4.44Å; I931-L972 CarbonylContact O-C 3.54Å; I931-L972 WeakPolarHBondContact O-CA 3.19Å; C932-L972 HydrophobicContact CB-CD2 4.4Å; V936-L972 HydrophobicContact CG2-CD2 4.42Å; P968-L972 PolarHBondContact O-N 3.13Å
973	V	85.3	Confident	65.7	Low	77 Å²	77	100.9 Å²	100.9	47%	0.467	50%	0.504	S	S	.	.			trans	-104.9	88.1	179.4	-175.3	0	0	0	0	109.3	I931 T933 K975	I931-V973 PolarHBondContact O-N 2.94Å; T933-V973 HydrophobicContact CG2-CG2 4.08Å; V973-K975 PolarHBondContact O-N 3.49Å
974	I	79.2	Confident	62.8	Low	57 Å²	57	100.2 Å²	100.2	29%	0.292	52%	0.518	S	S	.	.			trans	-79.3	116.7	171.6	-59.2	-175.9	0	0	0	108.1	L801 P803 I931 E976	L801-I974 VanDerWaalsContact O-CD1 3.3Å; L801-I974 WeakPolarHBondContact O-CD1 3.41Å; P803-I974 HydrophobicContact CG-CD1 3.86Å; P803-I974 HydrophobicContact CG-CG1 4.17Å; I931-I974 HydrophobicContact CB-CG1 4.35Å; I931-I974 HydrophobicContact CG2-CG1 4.2Å; I974-E976 PolarHBondContact O-N 3.47Å
975	K	57.6	Low	59.7	Low	175 Å²	175	107.7 Å²	107.7	76%	0.761	56%	0.559	S	S	*	*			trans	-75.6	106.7	174.2	-70.1	179.2	-179.3	172.7	0	109.7	V973 S977	V973-K975 PolarHBondContact O-N 3.49Å; K975-S977 PolarHBondContact O-N 3.23Å; K975-S977 VanDerWaalsContact O-N 3.12Å
976	E	44.9	Very low	56.8	Low	161 Å²	161	114.2 Å²	114.2	75%	0.752	59%	0.587	S	S	*	*			trans	-61.3	110.3	171.7	-75.4	160.9	-153.2	0	0	110.8	I974 N978	I974-E976 PolarHBondContact O-N 3.47Å; E976-N978 PolarHBondContact O-N 2.78Å
977	S	31.5	Very low	53.8	Low	77 Å²	77	111 Å²	111	54%	0.538	59%	0.589	S	S	.	*			trans	-82.9	87.9	171	59.1	0	0	0	0	109.3	K975 Q979	K975-S977 PolarHBondContact O-N 3.23Å; K975-S977 VanDerWaalsContact O-N 3.12Å; S977-Q979 WeakPolarHBondContact O-CG 3.37Å; S977-Q979 PolarHBondContact O-N 2.72Å
978	N	34	Very low	50.9	Low	168 Å²	168	112.1 Å²	112.1	90%	0.898	61%	0.608	S	S	*	*	S	Bend	trans	1.9	79	177	-75.1	4.5	0	0	0	115.6	E976	E976-N978 PolarHBondContact O-N 2.78Å
979	Q	27.5	Very low	48.1	Very low	153 Å²	153	121 Å²	121	72%	0.715	65%	0.648	S	S	*	*			trans	-135.4	133	169.2	-76.8	-174.8	-5.5	0	0	107.1	S977 D981	S977-Q979 WeakPolarHBondContact O-CG 3.37Å; S977-Q979 PolarHBondContact O-N 2.72Å; Q979-D981 PolarHBondContact O-N 2.8Å
980	H	33.1	Very low	45.3	Very low	197 Å²	197	127.6 Å²	127.6	91%	0.912	66%	0.661	S	S	*	*			trans	-47.4	118	-169.1	-69.2	-85.3	0	0	0	113.4
981	D	30	Very low	42.5	Very low	141 Å²	141	126.1 Å²	126.1	75%	0.754	67%	0.674	S	S	*	*			trans	-75.6	150.6	176.4	-154.2	17.3	0	0	0	111.1	Q979	Q979-D981 PolarHBondContact O-N 2.8Å
982	S	26	Very low	39.4	Very low	87 Å²	87	130.2 Å²	130.2	61%	0.608	71%	0.712	S	S	*	*			trans	-125.9	144.4	177.1	-61.6	0	0	0	0	108.7
983	P	34.5	Very low	36.4	Very low	118 Å²	118	134.4 Å²	134.4	77%	0.766	74%	0.735	S	S	*	*			trans	-58.5	143.8	-172.9	-25.4	34.8	0	0	0	113.5	D985	P983-D985 PolarHBondContact O-N 3.44Å
984	P	32.9	Very low	33.9	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	73%	0.733	S	S	*	*			trans	-81.4	111.3	-178.7	30.9	-33.9	0	0	0	112.4
985	D	28.4	Very low	31.5	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	73%	0.728	S	S	*	*			trans	-112.8	93.6	174.7	-98.7	-38.6	0	0	0	112.4	P983	P983-D985 PolarHBondContact O-N 3.44Å
986	E	28	Very low	30.3	Very low	149 Å²	149	128.5 Å²	128.5	70%	0.696	71%	0.707	S	S	*	*			trans	-163	124.3	159.6	-108.8	178.6	-160.7	0	0	104.6	R805	R805-E986 IonicContact NH2-OE1 3.43Å; R805-E986 PolarHBondContact NH2-OE1 3.21Å; R805-E986 IonicContact NH2-OE2 3.22Å; R805-E986 PolarHBondContact NH2-OE2 2.93Å
987	V	28.1	Very low	29.6	Very low	134 Å²	134	126.8 Å²	126.8	81%	0.812	70%	0.702	S	S	*	*	S	Bend	cis	-150.7	129.5	23.8	176	0	0	0	0	110.8
988	A	26.7	Very low	29.4	Very low	91 Å²	91	127.6 Å²	127.6	75%	0.752	70%	0.7	S	S	*	*			trans	-173.1	76.6	145.3	0	0	0	0	0	114.7
989	Q	27.8	Very low	29.1	Very low	197 Å²	197	126.7 Å²	126.7	92%	0.921	70%	0.695	S	S	*	*			trans	-153.6	121.3	150.8	-117.8	154.9	26.7	0	0	114.3
990	R	27.3	Very low	29.1	Very low	234 Å²	234	128 Å²	128	88%	0.883	71%	0.707	S	S	*	*			trans	-88.9	151.6	156.5	-76.5	179.7	171	174.6	-2.1	108.4
991	S	29.7	Very low	28.7	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	70%	0.695	S	S	*	*			trans	55.9	78.3	157.2	57.3	0	0	0	0	118.1
992	A	26.1	Very low	28.6	Very low	106 Å²	106	125.9 Å²	125.9	88%	0.876	69%	0.694	S	S	*	*				-132.9	156	122.1	0	0	0	0	0	107.4
993	D	26.8	Very low	28.7	Very low	91 Å²	91	128.3 Å²	128.3	49%	0.487	70%	0.7	S	S	.	*			trans	-130.9	131.1	-166.5	-127.8	-18.5	0	0	0	109.5	R665	R665-D993 IonicContact CZ-OD2 3.19Å; R665-D993 IonicContact NE-OD2 2.93Å; R665-D993 PolarHBondContact NE-OD2 3.08Å; R665-D993 VanDerWaalsContact NH2-CB 3.27Å; R665-D993 IonicContact NH2-OD2 2.71Å; R665-D993 PolarHBondContact NH2-OD2 3.01Å
994	L	32.3	Very low	28.4	Very low	81 Å²	81	130.3 Å²	130.3	42%	0.424	70%	0.704	S	S	.	*			trans	68.2	170.9	156.9	-55.2	162	0	0	0	115.3	T661 R665	T661-L994 HydrophobicContact CG2-CB 3.63Å; T661-L994 HydrophobicContact CG2-CD1 3.86Å; T661-L994 HydrophobicContact CG2-CG 4.38Å; R665-L994 HydrophobicContact CG-CD1 3.94Å
995	D	29.1	Very low	28.2	Very low	36 Å²	36	133.4 Å²	133.4	19%	0.193	71%	0.707	C	S	.	*			cis	-156.1	-178.1	2.2	-139.2	-32	0	0	0	111.9	F657 T661 R664	F657-D995 HydrophobicContact CD2-CB 3.9Å; F657-D995 HydrophobicContact CE2-CB 3.47Å; F657-D995 VanDerWaalsContact CE2-CB 3.47Å; F657-D995 VanDerWaalsContact CE2-N 3.33Å; F657-D995 HydrophobicContact CZ-CB 3.91Å; T661-D995 WeakPolarHBondContact CA-OD2 3.36Å; T661-D995 HydrophobicContact CG2-CB 3.62Å; T661-D995 WeakPolarHBondContact CG2-OD2 2.91Å; R664-D995 VanDerWaalsContact CD-OD2 3.23Å; R664-D995 WeakPolarHBondContact CD-OD2 2.8Å; R664-D995 IonicContact CZ-OD1 3.79Å; R664-D995 IonicContact NE-OD1 2.82Å; R664-D995 IonicContact NH1-OD1 3.8Å; R664-D995 PolarHBondContact NH1-OD1 2.84Å
996	E	31.3	Very low	28.2	Very low	68 Å²	68	132.7 Å²	132.7	32%	0.318	70%	0.703	S	S	.	*			trans	72.8	132.9	150.4	-79.6	-172.2	178.2	0	0	119.5	F657 T660	F657-E996 HydrophobicContact CD2-CB 4.27Å; F657-E996 HydrophobicContact CD2-CG 4.33Å; T660-E996 WeakPolarHBondContact CB-OE1 3.31Å; T660-E996 VanDerWaalsContact CG2-OE1 3.31Å; T660-E996 WeakPolarHBondContact CG2-OE1 3.44Å; T660-E996 PolarHBondContact OG1-OE1 3.27Å
997	L	31.4	Very low	28.3	Very low	125 Å²	125	133 Å²	133	65%	0.654	71%	0.708	S	S	*	*			cis	-139.5	147.5	-9	-82.9	164.8	0	0	0	106.9
998	D	26.4	Very low	28.2	Very low	93 Å²	93	129.9 Å²	129.9	50%	0.497	70%	0.703	S	S	.	*				47.4	105.6	73.1	-64.7	-43.3	0	0	0	115.4	R664	R664-D998 IonicContact CZ-OD2 2.75Å; R664-D998 IonicContact NH1-OD2 2.73Å; R664-D998 IonicContact NH2-OD2 3.44Å; R664-D998 PolarHBondContact NH2-OD2 2.01Å
999	D	27.5	Very low	28.1	Very low	149 Å²	149	131.3 Å²	131.3	80%	0.797	70%	0.702	S	S	*	*				172.5	129.4	105.1	-94.6	-23.8	0	0	0	111
1000	L	26.9	Very low	28	Very low	182 Å²	182	129.4 Å²	129.4	95%	0.953	69%	0.693	S	S	*	*				-170	149.4	117.9	-100.6	169	0	0	0	109.7
1001	D	25.3	Very low	27.9	Very low	125 Å²	125	123.8 Å²	123.8	67%	0.668	69%	0.685	S	S	*	*			trans	-124	173.9	-161.3	-167.1	12.7	0	0	0	111.2
1002	F	29.1	Very low	27.7	Very low	167 Å²	167	123.3 Å²	123.3	73%	0.732	68%	0.681	S	S	*	*			trans	68.3	154	179.9	-65	-92.7	0	0	0	115.3
1003	D	26.9	Very low	27.7	Very low	138 Å²	138	122.4 Å²	122.4	74%	0.738	67%	0.674	S	S	*	*			cis	-135.2	166.7	11.1	-134.8	-40.7	0	0	0	113.8
1004	L	28.6	Very low	27.6	Very low	161 Å²	161	125.3 Å²	125.3	84%	0.843	69%	0.69	S	S	*	*			trans	-144.7	96.6	-178.7	-154.9	-178.2	0	0	0	110.3
1005	E	29.5	Very low	27	Very low	192 Å²	192	127.9 Å²	127.9	90%	0.897	71%	0.712	S	S	*	*			trans	-127.4	169	174.5	-110.6	-170.8	-175.3	0	0	113.7
1006	D	28.3	Very low	26.8	Very low	146 Å²	146	129.7 Å²	129.7	78%	0.781	74%	0.74	S	S	*	*			trans	-116.2	-175.4	-143.8	-152.6	-9.8	0	0	0	114.7	G1008	D1006-G1008 PolarHBondContact O-N 2.83Å
1007	I	29.7	Very low	26.5	Very low	157 Å²	157	133.2 Å²	133.2	81%	0.805	77%	0.766	S	S	*	*			trans	-67.1	122.1	-171.7	-64.2	162.4	0	0	0	112.6
1008	G	25.3	Very low	26.7	Very low	68 Å²	68	133 Å²	133	70%	0.701	77%	0.773	S	S	*	*			trans	-123.9	-1.9	-166.1	0	0	0	0	0	120.4	D1006	D1006-G1008 PolarHBondContact O-N 2.83Å
1009	V	25.4	Very low	26.5	Very low	121 Å²	121	131.6 Å²	131.6	73%	0.733	78%	0.78	S	S	*	*			trans	67.4	160	168.5	-146.6	0	0	0	0	118.4
1010	H	26	Very low	27.2	Very low	157 Å²	157	129.8 Å²	129.8	73%	0.727	78%	0.776	S	S	*	*			trans	83.3	92.9	157.5	-79.1	-65.4	0	0	0	123.3
1011	T	24.5	Very low	27.1	Very low	115 Å²	115	128.5 Å²	128.5	71%	0.706	77%	0.765	S	S	*	*				76.8	128.7	123.2	47.1	0	0	0	0	124.3
1012	S	24.9	Very low	27.1	Very low	111 Å²	111	129 Å²	129	78%	0.776	77%	0.767	S	S	*	*			trans	80.3	123.9	133.2	62.3	0	0	0	0	123.2
1013	A	26.1	Very low	26.9	Very low	87 Å²	87	128.4 Å²	128.4	72%	0.719	77%	0.77	S	S	*	*			trans	90	119.5	135.5	0	0	0	0	0	121.3
1014	D	24.3	Very low	26.8	Very low	153 Å²	153	126.1 Å²	126.1	82%	0.818	77%	0.765	S	S	*	*			trans	60.2	108.1	134.3	-60.8	-10.5	0	0	0	123.1
1015	C	21.7	Very low	26.7	Very low	134 Å²	134	129.5 Å²	129.5	91%	0.905	77%	0.767	S	S	*	*				58.6	114.5	111.1	-157.8	0	0	0	0	119.7
1016	G	23.9	Very low	26.6	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	75%	0.753	S	S	*	*			trans	167.9	96.8	163.3	0	0	0	0	0	116.2
1017	T	24.2	Very low	26.6	Very low	141 Å²	141	125.2 Å²	125.2	87%	0.865	76%	0.756	S	S	*	*			trans	-82.7	167	153.1	25.8	0	0	0	0	110.2
1018	P	35.5	Very low	26.4	Very low	122 Å²	122	122.8 Å²	122.8	79%	0.792	75%	0.753	S	S	*	*			cis	-127.2	-163.4	-1.5	36.6	-16.2	0	0	0	113.5
1019	G	22.5	Very low	26.6	Very low	63 Å²	63	130 Å²	130	65%	0.649	76%	0.759	S	S	*	*			trans	-79.8	-150	167.8	0	0	0	0	0	113.4
1020	P	43.3	Very low	26.7	Very low	110 Å²	110	131.3 Å²	131.3	71%	0.714	76%	0.76	S	S	*	*			cis	-143.4	-159.9	13.2	26.9	1.7	0	0	0	115.4
1021	H	24.5	Very low	26.7	Very low	156 Å²	156	127.7 Å²	127.7	72%	0.722	75%	0.753	S	S	*	*			trans	92.2	113.3	151.7	-67.4	-53.2	0	0	0	124.2
1022	L	24.6	Very low	27	Very low	135 Å²	135	132.5 Å²	132.5	71%	0.707	76%	0.758	S	S	*	*				79.2	131.5	119.6	-72.2	171.2	0	0	0	124.5
1023	L	24.3	Very low	27.2	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	75%	0.748	S	S	*	*			trans	70.3	160.7	149.6	-61.3	162.5	0	0	0	118.9
1024	S	25.1	Very low	27.2	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	75%	0.748	S	S	*	*			cis	-176.8	156.8	-35.8	-167.6	0	0	0	0	110.7
1025	R	26.6	Very low	27.4	Very low	232 Å²	232	132 Å²	132	88%	0.875	74%	0.742	S	S	*	*			trans	64.1	158.5	163.1	-78	177.1	176.4	177.4	-1.7	117.8
1026	S	27.2	Very low	27.7	Very low	86 Å²	86	132.1 Å²	132.1	60%	0.601	73%	0.734	S	S	*	*			cis	175.9	170.1	-25.6	56.8	0	0	0	0	109.8
1027	L	28.2	Very low	27.9	Very low	162 Å²	162	139.3 Å²	139.3	85%	0.848	74%	0.738	S	S	*	*			trans	78.4	154.6	171.1	-52	164.9	0	0	0	114.8
1028	S	25.7	Very low	27.9	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	73%	0.73	S	S	*	*			cis	-147.6	143.5	1.5	39.9	0	0	0	0	109.2
1029	R	30.2	Very low	27.3	Very low	219 Å²	219	137.8 Å²	137.8	83%	0.826	73%	0.726	S	S	*	*				79.3	142.7	61.7	-151.2	-151.8	-99.6	-139.8	-2.1	114.4
1030	I	28.5	Very low	27.4	Very low	148 Å²	148	142.7 Å²	142.7	76%	0.759	74%	0.736	S	S	*	*			trans	84.9	138.1	164.1	-76.8	160.4	0	0	0	117.1
1031	S	26.1	Very low	26.5	Very low	82 Å²	82	144.1 Å²	144.1	57%	0.573	74%	0.738	S	S	*	*			cis	-176.5	168.8	-15.7	74.3	0	0	0	0	116.4
1032	R	30.1	Very low	27.5	Very low	216 Å²	216	141.7 Å²	141.7	82%	0.815	74%	0.736	S	S	*	*			trans	73.7	157.6	146.6	-69.9	178.4	96.9	150.2	7.6	119.3
1033	T	28.9	Very low	27.7	Very low	92 Å²	92	139.9 Å²	139.9	56%	0.564	73%	0.734	S	S	*	*			cis	-165.8	154.4	-5.7	15.8	0	0	0	0	114
1034	D	26.7	Very low	27.8	Very low	134 Å²	134	138.4 Å²	138.4	72%	0.717	73%	0.732	S	S	*	*			trans	60	156.9	137.9	-61.8	-20	0	0	0	122.4
1035	T	28.5	Very low	28	Very low	114 Å²	114	140.6 Å²	140.6	70%	0.699	74%	0.742	S	S	*	*			cis	-159.8	143.6	3.4	0.5	0	0	0	0	115.9
1036	N	27.4	Very low	28	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	73%	0.733	S	S	*	*			trans	51.5	141.5	133.6	-87.7	-30.5	0	0	0	128.3
1037	R	27.2	Very low	28	Very low	225 Å²	225	132.7 Å²	132.7	85%	0.849	74%	0.737	S	S	*	*			trans	77.6	152.3	141.1	-79	-176.1	166.8	167.7	-4.2	120
1038	V	23.9	Very low	28	Very low	116 Å²	116	136 Å²	136	70%	0.703	74%	0.74	S	S	*	*			cis	-155.9	145.4	-3.7	101.1	0	0	0	0	115.3
1039	V	24.5	Very low	28.2	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	74%	0.744	S	S	*	*			trans	19.3	130.8	146.4	179.9	0	0	0	0	123.1
1040	L	24.7	Very low	28.7	Very low	166 Å²	166	133.6 Å²	133.6	87%	0.869	74%	0.741	S	S	*	*				-164.8	158.3	119.2	-105.8	172.7	0	0	0	114.2
1041	N	24.1	Very low	28.6	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	74%	0.744	S	S	*	*			trans	-140.6	-175.1	-174.2	-138.9	14.8	0	0	0	108.4
1042	P	45	Very low	28.7	Very low	105 Å²	105	136.9 Å²	136.9	68%	0.682	76%	0.755	S	S	*	*			cis	-104.5	-156.2	14.7	21.7	3.7	0	0	0	111.9
1043	S	28.5	Very low	29.1	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	76%	0.757	S	S	*	*			cis	-165.5	172.6	28	-49.6	0	0	0	0	110.1
1044	T	27.4	Very low	28.8	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	76%	0.759	S	S	*	*			cis	-158.8	160.2	1.1	-8.5	0	0	0	0	112
1045	V	28.4	Very low	28.8	Very low	137 Å²	137	135.6 Å²	135.6	83%	0.83	77%	0.772	S	S	*	*			trans	5.3	136.2	142	173.7	0	0	0	0	119.1
1046	A	27.4	Very low	28.5	Very low	84 Å²	84	133.7 Å²	133.7	69%	0.694	78%	0.775	S	S	*	*			cis	-164.1	155.5	-14.4	0	0	0	0	0	108.4
1047	G	27.4	Very low	28.5	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	78%	0.779	S	S	*	*				95.9	141.9	78	0	0	0	0	0	111.3
1048	Y	27.8	Very low	28.4	Very low	231 Å²	231	129 Å²	129	91%	0.906	78%	0.779	S	S	*	*			cis	-156.2	167.6	6.8	-101.3	-88	0	0	0	112.1
1049	L	30.3	Very low	28.5	Very low	159 Å²	159	129.5 Å²	129.5	83%	0.832	78%	0.783	S	S	*	*			trans	-98.4	163.1	166.3	-70.9	165.2	0	0	0	110.3
1050	P	41	Very low	28.6	Very low	118 Å²	118	131 Å²	131	77%	0.766	79%	0.786	S	S	*	*				-161.5	148.8	83.3	40.8	-18.5	0	0	0	121.3
1051	M	25.4	Very low	29.7	Very low	165 Å²	165	127.5 Å²	127.5	81%	0.813	77%	0.774	S	S	*	*			trans	29.9	128.8	131	-52	-178	-178.9	0	0	126.2
1052	T	27.8	Very low	29.8	Very low	134 Å²	134	127.3 Å²	127.3	82%	0.822	77%	0.772	S	S	*	*			trans	62.1	173.6	135.8	60.6	0	0	0	0	120.1
1053	P	38.3	Very low	28.9	Very low	129 Å²	129	130.5 Å²	130.5	84%	0.838	78%	0.775	S	S	*	*			cis	-119.1	-161.2	-4.1	44.1	-29.3	0	0	0	112.4
1054	G	23.1	Very low	28.8	Very low	60 Å²	60	130.3 Å²	130.3	62%	0.619	77%	0.774	S	S	*	*			cis	149.1	153.7	-13.5	0	0	0	0	0	114.5
1055	F	26	Very low	28.7	Very low	226 Å²	226	135.6 Å²	135.6	99%	0.991	78%	0.78	S	S	*	*			trans	65.5	153.4	-179.9	-69.4	-97.7	0	0	0	117.9
1056	G	24	Very low	28.6	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	77%	0.77	S	S	*	*			cis	167.4	144	-12.5	0	0	0	0	0	115.6
1057	G	26	Very low	28.7	Very low	79 Å²	79	140 Å²	140	81%	0.814	78%	0.777	S	S	*	*			trans	77.4	172.3	165	0	0	0	0	0	118.4
1058	Q	25.5	Very low	28.8	Very low	184 Å²	184	142.7 Å²	142.7	86%	0.86	78%	0.775	S	S	*	*			cis	-169.6	164.6	-31.3	-157.1	-175.2	-9.1	0	0	109.2
1059	V	26.4	Very low	28.8	Very low	128 Å²	128	138.5 Å²	138.5	78%	0.776	77%	0.768	S	S	*	*			trans	84.7	121.8	158.7	-176.1	0	0	0	0	119.1
1060	D	25.2	Very low	28.7	Very low	146 Å²	146	136 Å²	136	78%	0.781	76%	0.764	S	S	*	*			trans	-78	-159.9	168.3	-134.4	-21.5	0	0	0	109.7
1061	P	48.2	Very low	28.1	Very low	94 Å²	94	133.7 Å²	133.7	61%	0.61	76%	0.755	S	S	*	*			cis	-140.2	-173	-17.7	33.3	-9.6	0	0	0	116.2
1062	L	26.3	Very low	28.4	Very low	135 Å²	135	136.8 Å²	136.8	71%	0.707	76%	0.758	S	S	*	*			trans	88.1	122	134.7	-119	71.1	0	0	0	123.3
1063	K	26.5	Very low	28.5	Very low	171 Å²	171	135.7 Å²	135.7	74%	0.743	75%	0.751	S	S	*	*			trans	68	99.1	134.2	-86.9	175.4	-165.7	170.7	0	122.7
1064	S	26.3	Very low	28.1	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	75%	0.748	S	S	*	*				76.6	148.4	105.9	81.5	0	0	0	0	122.5
1065	R	25.5	Very low	28.2	Very low	235 Å²	235	136.8 Å²	136.8	89%	0.887	75%	0.747	S	S	*	*			trans	67.9	153.7	161.9	-68.5	176.8	169.1	-178.3	-3.3	116
1066	S	26.3	Very low	28.3	Very low	88 Å²	88	133.5 Å²	133.5	62%	0.615	73%	0.734	S	S	*	*			cis	-177.8	167.8	-29.4	59	0	0	0	0	107.9
1067	R	29.8	Very low	28.6	Very low	224 Å²	224	134.3 Å²	134.3	85%	0.845	73%	0.729	S	S	*	*			trans	70.4	158.5	159	-77.1	178.1	177.5	-170.5	-1.6	114.9
1068	L	29.7	Very low	28.7	Very low	124 Å²	124	134.9 Å²	134.9	65%	0.649	72%	0.72	S	S	*	*			cis	-154.2	147.9	3.7	-114.9	151.5	0	0	0	109.3
1069	N	26.9	Very low	28.8	Very low	143 Å²	143	135.5 Å²	135.5	77%	0.765	72%	0.723	S	S	*	*			trans	61.9	163.6	149.3	-73.4	-2.8	0	0	0	121.7
1070	S	28.3	Very low	28.9	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	72%	0.72	S	S	*	*			cis	178.8	178.8	-32.3	-147.3	0	0	0	0	107.1
1071	A	28.4	Very low	29.2	Very low	70 Å²	70	132.7 Å²	132.7	58%	0.579	73%	0.73	S	S	*	*			cis	-161.6	163.5	4.2	0	0	0	0	0	111.6
1072	R	31.5	Very low	28.3	Very low	230 Å²	230	131.6 Å²	131.6	87%	0.868	74%	0.735	S	S	*	*			trans	69.9	154	148.3	-74.1	172.5	174.9	175.8	-3.6	118.4
1073	T	31.2	Very low	28.6	Very low	112 Å²	112	131.6 Å²	131.6	69%	0.687	74%	0.741	S	S	*	*			cis	-148.9	133.5	11.4	-1	0	0	0	0	109.5
1074	V	28.3	Very low	28.8	Very low	127 Å²	127	125.8 Å²	125.8	77%	0.77	73%	0.725	S	S	*	*				72.7	129.9	101.4	166.9	0	0	0	0	113.1
1075	S	26.9	Very low	29.1	Very low	84 Å²	84	124.1 Å²	124.1	59%	0.587	71%	0.711	S	S	*	*			cis	-166.4	-179.5	10.8	-121.7	0	0	0	0	110
1076	E	27.8	Very low	29.4	Very low	157 Å²	157	116.9 Å²	116.9	73%	0.734	69%	0.69	S	S	*	*			cis	-167.6	-170.8	-5.5	-133.1	167.6	86.8	0	0	113.4
1077	S	29.4	Very low	29.5	Very low	91 Å²	91	115 Å²	115	64%	0.636	67%	0.672	S	S	*	*			trans	28.1	146.7	139.7	-56.8	0	0	0	0	123.5
1078	S	28.8	Very low	29.5	Very low	91 Å²	91	109.6 Å²	109.6	64%	0.636	66%	0.656	S	S	*	*			cis	-176.3	159.9	-10	49.4	0	0	0	0	113.2
1079	E	28	Very low	29.5	Very low	197 Å²	197	108.7 Å²	108.7	92%	0.921	65%	0.65	S	S	*	*			trans	65.9	158.3	158.3	-66.8	163.7	-179.7	0	0	120.7
1080	G	27.1	Very low	29.5	Very low	68 Å²	68	106 Å²	106	70%	0.701	64%	0.642	S	S	*	*			cis	165.6	132.6	-15.9	0	0	0	0	0	117.7
1081	C	33.1	Very low	29.9	Very low	147 Å²	147	109.3 Å²	109.3	99%	0.993	65%	0.646	S	S	*	*			trans	62.7	165.6	162.9	-65	0	0	0	0	121
1082	G	28.9	Very low	29.9	Very low	70 Å²	70	113.3 Å²	113.3	72%	0.722	66%	0.658	S	S	*	*			cis	-166.4	-154.9	1.6	0	0	0	0	0	110.8
1083	T	32.4	Very low	29.7	Very low	135 Å²	135	110 Å²	110	83%	0.828	65%	0.65	S	S	*	*			cis	-172.3	174.8	-7.5	47.2	0	0	0	0	111.5
1084	A	31	Very low	29.5	Very low	50 Å²	50	109.9 Å²	109.9	41%	0.413	65%	0.653	S	S	.	*			trans	81.8	160.4	141.8	0	0	0	0	0	122.9	E368	E368-A1084 WeakPolarHBondContact OE2-CA 3.38Å
1085	V	32.6	Very low	29.5	Very low	57 Å²	57	111.6 Å²	111.6	35%	0.345	66%	0.658	S	S	.	*			cis	-167	166.2	-11	129.3	0	0	0	0	116	Y367 E368	Y367-V1085 HydrophobicContact CD1-CG2 3.87Å; Y367-V1085 HydrophobicContact CD2-CG1 4.47Å; Y367-V1085 HydrophobicContact CE1-CG1 4.47Å; Y367-V1085 HydrophobicContact CE1-CG2 3.52Å; Y367-V1085 HydrophobicContact CE2-CG1 3.93Å; Y367-V1085 HydrophobicContact CE2-CG2 4.4Å; Y367-V1085 HydrophobicContact CG-CG2 4.45Å; Y367-V1085 CarbonylContact O-C 3.38Å; Y367-V1085 WeakPolarHBondContact O-CA 3.21Å; Y367-V1085 WeakPolarHBondContact O-CG2 3.26Å; E368-V1085 CarbonylContact O-C 3.38Å; E368-V1085 PolarHBondContact OE2-N 3.3Å
1086	D	30.3	Very low	30.6	Very low	84 Å²	84	113.5 Å²	113.5	45%	0.449	67%	0.668	S	S	.	*			trans	85.1	119.3	173.6	-68.6	-31.2	0	0	0	121.1	Y367 E368 K369	Y367-D1086 WeakPolarHBondContact CE2-OD1 3.3Å; Y367-D1086 PolarHBondContact O-N 2.88Å; E368-D1086 CarbonylContact C-O 3.56Å; E368-D1086 VanDerWaalsContact N-C 3.3Å; K369-D1086 WeakPolarHBondContact CA-O 3.21Å; K369-D1086 VanDerWaalsContact CB-O 3.31Å; K369-D1086 WeakPolarHBondContact CB-O 3.46Å; K369-D1086 WeakPolarHBondContact CE-O 3.44Å; K369-D1086 PolarHBondContact N-O 3.22Å; K369-D1086 PolarHBondContact NZ-O 2.73Å
1087	M	30.4	Very low	30.4	Very low	48 Å²	48	109.8 Å²	109.8	24%	0.236	67%	0.671	C	S	.	*			trans	-129.2	0	-166	90.5	-17	-132.2	0	0	127.4	D365 P366 Y367 E368 I370	D365-M1087 VanDerWaalsContact C-C 3.41Å; D365-M1087 HydrophobicContact CB-CE 4.49Å; D365-M1087 HydrophobicContact CB-CG 3.5Å; D365-M1087 HydrophobicContact CB-SD 3.54Å; D365-M1087 VanDerWaalsContact CB-SD 3.54Å; D365-M1087 VanDerWaalsContact CG-CG 3.48Å; D365-M1087 CarbonylContact O-C 3.05Å; D365-M1087 WeakPolarHBondContact O-CA 3.38Å; D365-M1087 WeakPolarHBondContact O-CB 3.34Å; D365-M1087 WeakPolarHBondContact O-CG 3.34Å; D365-M1087 WeakPolarHBondContact OD1-CE 3.45Å; D365-M1087 WeakPolarHBondContact OD2-CE 3.45Å; P366-M1087 VanDerWaalsContact N-C 3.33Å; P366-M1087 PolarHBondContact O-N 3.16Å; Y367-M1087 VanDerWaalsContact N-CA 3.33Å; Y367-M1087 PolarHBondContact N-SD 3.34Å; E368-M1087 HydrophobicContact CB-CE 3.56Å; E368-M1087 HydrophobicContact CB-CG 3.91Å; E368-M1087 HydrophobicContact CB-SD 4.43Å; E368-M1087 HydrophobicContact CG-CE 3.52Å; E368-M1087 PolarHBondContact N-SD 2.99Å; I370-M1087 HydrophobicContact CG1-CB 4.45Å; I370-M1087 HydrophobicContact CG1-CG 4.02Å
1088	E	29.1	Very low	30.3	Very low	111 Å²	111	110.7 Å²	110.7	52%	0.519	68%	0.678	S	S	.	*				0	70.4	0	-113.4	-166.5	130.1	0	0	101.1	L360 D365 P366	L360-E1088 HydrophobicContact CD2-CG 4.03Å; D365-E1088 WeakPolarHBondContact O-CA 3.42Å; D365-E1088 PolarHBondContact O-N 3.3Å; P366-E1088 VanDerWaalsContact CB-C 3.49Å; P366-E1088 HydrophobicContact CB-CB 2.32Å; P366-E1088 HydrophobicContact CB-CG 3.75Å; P366-E1088 HydrophobicContact CG-CB 2.29Å; P366-E1088 HydrophobicContact CG-CG 3.06Å; P366-E1088 WeakPolarHBondContact CG-O 3.41Å
1089	M	29.6	Very low	30.3	Very low	105 Å²	105	113.1 Å²	113.1	52%	0.517	68%	0.683	S	S	.	*			trans	69.6	172.7	145.4	-89.9	170.9	67	0	0	123.9	G364 P366	G364-M1089 WeakPolarHBondContact O-CG 3.42Å; P366-M1089 HydrophobicContact CG-CB 3.84Å; P366-M1089 HydrophobicContact CG-CG 4.38Å
1090	S	26.9	Very low	30.4	Very low	87 Å²	87	112.7 Å²	112.7	61%	0.608	68%	0.678	S	S	*	*			cis	-165.3	172.6	-12.7	47.9	0	0	0	0	114.2
1091	E	35.5	Very low	30.5	Very low	175 Å²	175	121.1 Å²	121.1	82%	0.818	69%	0.689	S	S	*	*			trans	-93.5	171.7	177.7	-58.8	-172.7	119.1	0	0	115.9
1092	D	29	Very low	30.2	Very low	153 Å²	153	126.2 Å²	126.2	82%	0.818	69%	0.687	S	S	*	*			trans	-163.3	152.3	140.7	-118.4	-7.9	0	0	0	116.1
1093	F	28.4	Very low	30.3	Very low	161 Å²	161	133 Å²	133	71%	0.706	69%	0.691	S	S	*	*			trans	-46.2	168.6	-179.3	-73.6	-98.6	0	0	0	119.6
1094	S	25.9	Very low	30.2	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	68%	0.681	S	S	*	*			cis	-165	174.2	4.3	33.2	0	0	0	0	116.2
1095	L	28.6	Very low	30.1	Very low	164 Å²	164	138.8 Å²	138.8	86%	0.859	69%	0.692	S	S	*	*			trans	-51.8	-177.6	171.7	-75.9	158.5	0	0	0	118.6
1096	P	49.5	Very low	29.8	Very low	124 Å²	124	142 Å²	142	81%	0.805	70%	0.703	S	S	*	*			cis	-134.2	173.7	-7.8	25.8	-2.5	0	0	0	116.8
1097	G	25.3	Very low	29.6	Very low	78 Å²	78	144.1 Å²	144.1	80%	0.804	72%	0.715	S	S	*	*			trans	-178.3	68.2	171.6	0	0	0	0	0	123.1
1098	S	26.8	Very low	29.5	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	74%	0.738	S	S	*	*			trans	39.9	127.2	143.2	-142.4	0	0	0	0	126.2
1099	L	28.8	Very low	29.5	Very low	143 Å²	143	146.5 Å²	146.5	75%	0.749	76%	0.755	S	S	*	*			trans	69.8	121.2	139.9	-73.4	169.7	0	0	0	125.9
1100	K	28.9	Very low	29.3	Very low	188 Å²	188	152.5 Å²	152.5	82%	0.817	77%	0.774	S	S	*	*			trans	74.6	123.9	137	-79.1	175.2	179.2	173.6	0	123.7
1101	R	29.4	Very low	29.3	Very low	244 Å²	244	154.3 Å²	154.3	92%	0.921	78%	0.781	S	S	*	*			trans	-3.1	132.4	149.2	-66.3	177.2	173	176.8	-2.7	119
1102	R	26.5	Very low	28.8	Very low	254 Å²	254	150 Å²	150	96%	0.958	77%	0.77	S	S	*	*				-159.8	-165.8	96.9	-139.4	178.5	176.8	177.2	-2.2	112.3
1103	R	31.7	Very low	28.8	Very low	212 Å²	212	151 Å²	151	80%	0.8	77%	0.77	S	S	*	*			trans	-129.3	163.9	-156.7	-138.4	-172.7	-164.6	-179.1	4.1	109.8
1104	Q	29.8	Very low	28.8	Very low	132 Å²	132	153.4 Å²	153.4	62%	0.617	77%	0.774	S	S	*	*			trans	73.1	157.4	157.4	-74.7	175.8	-69.6	0	0	116.5
1105	R	28.9	Very low	28.8	Very low	175 Å²	175	155.3 Å²	155.3	66%	0.66	78%	0.776	S	S	*	*			cis	-154.5	165.4	10.8	-137.1	168.1	151.2	115.8	26	113.2
1106	E	26.9	Very low	28.9	Very low	124 Å²	124	151.6 Å²	151.6	58%	0.579	76%	0.764	S	S	*	*			trans	10.8	158.1	141.3	-70.5	148.1	-131.9	0	0	120.8
1107	D	25.7	Very low	28.1	Very low	129 Å²	129	154.2 Å²	154.2	69%	0.69	77%	0.768	S	S	*	*			cis	-158.4	167.1	21	-136.9	-32.8	0	0	0	116.5
1108	S	28.5	Very low	28.3	Very low	104 Å²	104	155.9 Å²	155.9	73%	0.727	77%	0.767	S	S	*	*			trans	-14	144.1	160.2	-55	0	0	0	0	122.5
1109	A	28	Very low	28.3	Very low	106 Å²	106	154.4 Å²	154.4	88%	0.876	77%	0.769	S	S	*	*				-175.8	161.1	124.3	0	0	0	0	0	115.8
1110	Y	26.3	Very low	28.2	Very low	230 Å²	230	151.1 Å²	151.1	90%	0.902	77%	0.77	S	S	*	*			trans	-61.4	-179.4	-173.7	-108.5	-112.5	0	0	0	120.2
1111	V	26.4	Very low	29.5	Very low	125 Å²	125	148.2 Å²	148.2	76%	0.758	77%	0.77	S	S	*	*			trans	105.5	92.3	153.3	-166.9	0	0	0	0	119.2
1112	S	26.4	Very low	30.9	Very low	86 Å²	86	142.1 Å²	142.1	60%	0.601	76%	0.762	S	S	*	*				33.2	136.1	119.1	-173.2	0	0	0	0	123.5
1113	Q	28.2	Very low	31.2	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.813	76%	0.757	S	S	*	*			trans	68.8	160.9	155.1	-75.2	163	4.2	0	0	118.8
1114	R	28.5	Very low	31.4	Very low	210 Å²	210	134.9 Å²	134.9	79%	0.792	76%	0.758	S	S	*	*			cis	171.2	121.6	-33.3	179.5	-173	-153.2	-178.8	5.9	106.4
1115	D	26.2	Very low	32.4	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	77%	0.768	S	S	*	*			trans	-176.2	117.2	145.5	-102.2	-31	0	0	0	117.2
1116	S	30.8	Very low	32.6	Very low	86 Å²	86	131.4 Å²	131.4	60%	0.601	77%	0.772	S	S	*	*				44.4	117.9	111.7	-42.6	0	0	0	0	124.4
1117	M	31.2	Very low	34.2	Very low	179 Å²	179	130.3 Å²	130.3	88%	0.882	78%	0.776	S	S	*	*			trans	66.7	160.1	130.9	-68.3	-165.6	-174.5	0	0	120.8
1118	S	30.8	Very low	34.6	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	78%	0.781	S	S	*	*			cis	-165.8	176.6	-15.3	-96.2	0	0	0	0	107.9
1119	G	26.1	Very low	34.9	Very low	79 Å²	79	130 Å²	130	81%	0.814	78%	0.776	S	S	*	*			cis	-146.7	-138	4.2	0	0	0	0	0	110.1
1120	G	26.9	Very low	35.2	Very low	75 Å²	75	134 Å²	134	77%	0.773	78%	0.776	S	S	*	*			cis	-156.9	-174.7	1.6	0	0	0	0	0	112.8
1121	P	56.8	Low	35.4	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	78%	0.776	S	S	*	*			trans	-107.3	-167.1	-152.5	44.8	-39.1	0	0	0	113.8
1122	P	58.7	Low	35.8	Very low	116 Å²	116	135.1 Å²	135.1	75%	0.753	78%	0.781	S	S	*	*			cis	-129.2	-158.7	11	32.3	-4.9	0	0	0	113.3
1123	E	31.6	Very low	35.9	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	79%	0.788	S	S	*	*			cis	-138.3	-151.8	19.1	-64.3	-177.1	110.1	0	0	114
1124	T	36	Very low	36.2	Very low	135 Å²	135	136.8 Å²	136.8	83%	0.828	78%	0.784	S	S	*	*			trans	-152.3	-177.6	-154.7	48.3	0	0	0	0	111.2
1125	P	51.5	Low	36.3	Very low	127 Å²	127	134.4 Å²	134.4	83%	0.825	79%	0.787	S	S	*	*			cis	-141.3	-158.9	19.5	44.7	-22	0	0	0	118.6
1126	S	32.9	Very low	36.7	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	78%	0.782	S	S	*	*			trans	-128.6	-142.8	-143.8	63	0	0	0	0	112.3
1127	P	59.7	Low	36.5	Very low	102 Å²	102	137.3 Å²	137.3	66%	0.662	80%	0.796	S	S	*	*			cis	-94.3	-147.2	-0.3	44.3	-39.8	0	0	0	112.7
1128	D	34.7	Very low	36.4	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	79%	0.79	S	S	*	*			cis	-160.5	-177.9	3.5	-104.4	-31.7	0	0	0	105.6
1129	A	35.5	Very low	36.3	Very low	73 Å²	73	136 Å²	136	60%	0.603	79%	0.788	S	S	*	*			cis	177.5	168.5	-29.7	0	0	0	0	0	105.7
1130	E	33.4	Very low	36.8	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	81%	0.807	S	S	*	*			cis	-170.7	161.2	-25.7	-91.6	170	159.5	0	0	104.7
1131	E	31	Very low	37.3	Very low	192 Å²	192	144.5 Å²	144.5	90%	0.897	81%	0.809	S	S	*	*			cis	-145.5	-136.1	5.3	-159.7	179	-165.8	0	0	109.5
1132	E	34.3	Very low	36.2	Very low	186 Å²	186	145.4 Å²	145.4	87%	0.869	81%	0.808	S	S	*	*			trans	-141	168.5	-178	-66.3	-168.4	135.6	0	0	114.3
1133	D	30.2	Very low	35	Very low	140 Å²	140	147.1 Å²	147.1	75%	0.749	81%	0.811	S	S	*	*			trans	-161.8	175.3	133.6	-157.2	16	0	0	0	114.3
1134	Q	33.8	Very low	35.2	Very low	156 Å²	156	145.2 Å²	145.2	73%	0.729	81%	0.809	S	S	*	*			trans	-99.8	145.6	-160.8	-57.7	146.2	66.3	0	0	115
1135	N	30.7	Very low	35.1	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	81%	0.808	S	S	*	*			trans	167.6	-16.7	133.2	-93.9	-68	0	0	0	114.6
1136	G	33.9	Very low	34	Very low	67 Å²	67	147.1 Å²	147.1	69%	0.691	81%	0.807	S	S	*	*			trans	79.8	-178.5	167.4	0	0	0	0	0	117.4
1137	Y	25.9	Very low	34.1	Very low	230 Å²	230	150 Å²	150	90%	0.902	81%	0.812	S	S	*	*			trans	65.9	142.7	-172.8	-65.7	-90.9	0	0	0	115.3
1138	V	29.4	Very low	32.1	Very low	124 Å²	124	153.7 Å²	153.7	75%	0.752	82%	0.823	S	S	*	*			cis	-156.8	175.5	-22.3	94	0	0	0	0	109.7
1139	L	30	Very low	31.9	Very low	140 Å²	140	153.8 Å²	153.8	73%	0.733	82%	0.824	S	S	*	*			trans	-45.7	154.5	169.9	-77.2	164.7	0	0	0	114.9
1140	P	35.2	Very low	31.6	Very low	187 Å²	187	161.2 Å²	161.2	100%	1.214	84%	0.844	S	S	*	*				-95	0	87.1	-22.7	36.2	0	0	0	116.1

Retrieved 1,140 of 1,140 residues in 1544.9 ms (Link to these results)

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