A0A087YHH3_POEFO Loading...

Mitogen-activated protein kinase kinase kinase kinase

Serine/threonine kinase that plays a role in the response to environmental stress. Appears to act upstream of the JUN N-terminal pathway.

AlphaFold DB , UniProt , Accession A0A087YHH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 859 aa.

						>A0A087YHH3_POEFO|A0A087YHH3
MSQHIRMDFHQRAALDISTKNPQDDFEILLRVGGGTYGEVYKARNKQNGELAAIKVIKMEPEDDFSIIQQEIVIVKSCKHPNIVAYYGSYIRANKLWICMEFCGGGSLQDIYHVTGSLSEPQIAYVCREMLQGLDYLHAQKKIHRDIKGANILLNDQGEVKLADFGISAQITATLARRMSFIGTPYWMAPEVAAVEIKGGYNELCDVWSVGITAIELAELQPPLFDVHPLRVLFLMSKSGYQPPKLKDKSKWSSNFYNFVKAMLVRNPKKRPSAAKMLSHPFLTQQCLNQELTLDLLDKFKNPEKHKSCVSTEDDDMEVAPPASLRRIQSINKHNRAERTNSDISFEQIYTQRPMKTGSPNVTLTPSSGSTGSINSPSRDQDSDSDDYDDVDIPTMQPSGLIMPEDETPPPLPPKPKARTSSEESMASEDDRSRKHGSLCPPAPAPLIRTSSGTHVRPTPHPRASRHSDPPSLPTQIQNIPADTVPPELPPKDFRRRKPISKDLPECPSPVLKKPPVYFKKIFHGCPLKINCSTTWENPTSKEQHLIMGAEEGIYTLNLNGSEATMELLYPGKCSWVYTINNVLMSVSGKSSQLHSHSLKELYEQARKDQRMVPLPTHRLLSRKCPVTSKIPDTKGCKTCAVGGNLFLCCALDSSVVLLQWYEPMHKFMLIKHFDFPLPSPLRVFEMVVPPLQEYPMVCIGVSRSCSPSTPVNVEYINLNSNTSWFFNSGMEKPCPDVVQVNQLDGNSLLVLMERSVQVVNLEGELKTNRHPPQETIFSHDVESIVYFEDTLLAVWRHGWQRRTKSFTEVLDEMTDHRKIYRMVKSDRMVVLETRQVEDQLGLSNLYLLEVAENYVLLP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	45.1	Very low	242 Å²	242	131.4 Å²	131.4	100%	1.192	62%	0.624	S	S	*	*				0	121	0	-68.6	176.5	178.8	0	0	108.5
2	S	31.5	Very low	46.2	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	60%	0.595	S	S	*	*			trans	-75.2	125.3	179.7	-52.8	0	0	0	0	110.7	H4	S2-H4 PolarHBondContact O-N 3.43Å
3	Q	33.3	Very low	46.7	Very low	181 Å²	181	121.8 Å²	121.8	85%	0.846	59%	0.59	S	S	*	*			trans	-74.3	91.4	169.5	-69.2	-172.4	2.1	0	0	109.1
4	H	42.8	Very low	47.1	Very low	147 Å²	147	118.6 Å²	118.6	68%	0.681	59%	0.593	S	S	*	*			trans	-60	140.5	166	-73.7	-66.3	0	0	0	110	S2 R6	S2-H4 PolarHBondContact O-N 3.43Å; H4-R6 VanDerWaalsContact C-N 3.34Å; H4-R6 PolarHBondContact O-N 3.09Å
5	I	47	Very low	48.1	Very low	49 Å²	49	111.1 Å²	111.1	25%	0.251	56%	0.556	S	S	.	*			trans	-62.6	93.9	175.3	-57.6	175.1	0	0	0	108.6	M7 M59	I5-M7 PolarHBondContact O-N 2.85Å; I5-M59 HydrophobicContact CD1-CB 4.32Å
6	R	43.4	Very low	49.5	Very low	245 Å²	245	111.7 Å²	111.7	93%	0.925	56%	0.562	S	S	*	*			trans	-76.6	63.3	177.7	-90	-169.6	168.7	-171.9	-2	110.9	H4	H4-R6 VanDerWaalsContact C-N 3.34Å; H4-R6 PolarHBondContact O-N 3.09Å
7	M	52.3	Low	51.4	Low	18 Å²	18	105.7 Å²	105.7	9%	0.089	53%	0.532	C	S	.	.			trans	-60.3	131.8	163	176.6	-169.8	-57.2	0	0	109.6	I5 R12 F65 I91	I5-M7 PolarHBondContact O-N 2.85Å; M7-R12 HydrophobicContact CG-CG 3.96Å; M7-R12 HydrophobicContact SD-CG 3.53Å; M7-R12 VanDerWaalsContact SD-CG 3.53Å; M7-R12 PolarHBondContact SD-NE 3.12Å; M7-F65 HydrophobicContact CE-CD1 3.47Å; M7-F65 VanDerWaalsContact CE-CD1 3.47Å; M7-F65 HydrophobicContact CE-CD2 3.52Å; M7-F65 HydrophobicContact CE-CE1 3.38Å; M7-F65 HydrophobicContact CE-CE2 3.44Å; M7-F65 VanDerWaalsContact CE-CE2 3.44Å; M7-F65 HydrophobicContact CE-CG 3.54Å; M7-F65 HydrophobicContact CE-CZ 3.38Å; M7-F65 HydrophobicContact CG-CD1 4.33Å; M7-F65 HydrophobicContact CG-CE1 4.3Å; M7-F65 HydrophobicContact SD-CD1 4.09Å; M7-F65 HydrophobicContact SD-CE1 3.6Å; M7-F65 HydrophobicContact SD-CE2 4.49Å; M7-F65 HydrophobicContact SD-CZ 3.84Å; M7-I91 HydrophobicContact CE-CD1 3.28Å; M7-I91 HydrophobicContact SD-CD1 3.99Å
8	D	57	Low	53.2	Low	80 Å²	80	101.5 Å²	101.5	43%	0.428	51%	0.514	S	S	.	.			trans	-66.1	141.7	-171.1	-172.8	14.2	0	0	0	112.1	H10 Q11 R12	D8-H10 VanDerWaalsContact C-N 3.29Å; D8-H10 PolarHBondContact O-N 2.96Å; D8-H10 IonicContact OD1-CD2 2.93Å; D8-Q11 HydrophobicContact CB-CB 4.43Å; D8-Q11 HydrophobicContact CB-CG 4.1Å; D8-Q11 PolarHBondContact O-N 3.17Å; D8-Q11 VanDerWaalsContact O-N 3.13Å; D8-R12 PolarHBondContact O-N 3.15Å
9	F	53.7	Low	54.9	Low	155 Å²	155	100.9 Å²	100.9	68%	0.68	52%	0.516	S	S	*	.	H	α-helix	trans	-61	-40.3	-176.6	-179.2	-100.2	0	0	0	111.3	Q11 R12 A13	F9-Q11 VanDerWaalsContact C-N 3.32Å; F9-Q11 PolarHBondContact O-N 2.76Å; F9-R12 PolarHBondContact O-N 3.29Å; F9-A13 PolarHBondContact O-N 2.7Å; F9-A13 VanDerWaalsContact O-N 3.16Å
10	H	48.2	Very low	56.6	Low	137 Å²	137	102.3 Å²	102.3	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-64.9	-33.5	177.3	-65	-74.2	0	0	0	112.8	D8 A14	D8-H10 VanDerWaalsContact C-N 3.29Å; D8-H10 PolarHBondContact O-N 2.96Å; D8-H10 IonicContact OD1-CD2 2.93Å; H10-A14 PolarHBondContact O-N 3.26Å
11	Q	54.1	Low	58	Low	87 Å²	87	98.9 Å²	98.9	41%	0.407	50%	0.501	S	S	.	.	H	α-helix	trans	-72.6	-37.9	177.9	-66.9	176.9	-11.6	0	0	112.1	D8 F9 A14 L15	D8-Q11 HydrophobicContact CB-CB 4.43Å; D8-Q11 HydrophobicContact CB-CG 4.1Å; D8-Q11 PolarHBondContact O-N 3.17Å; D8-Q11 VanDerWaalsContact O-N 3.13Å; F9-Q11 VanDerWaalsContact C-N 3.32Å; F9-Q11 PolarHBondContact O-N 2.76Å; Q11-A14 PolarHBondContact O-N 2.91Å; Q11-L15 WeakPolarHBondContact O-CD1 3.42Å; Q11-L15 WeakPolarHBondContact O-CG 3.48Å
12	R	58.4	Low	60.7	Low	73 Å²	73	87.4 Å²	87.4	28%	0.275	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.3	-69.4	178	178.8	165.2	1.1	111.7	M7 D8 F9 A14 L15 D16	M7-R12 HydrophobicContact CG-CG 3.96Å; M7-R12 HydrophobicContact SD-CG 3.53Å; M7-R12 VanDerWaalsContact SD-CG 3.53Å; M7-R12 PolarHBondContact SD-NE 3.12Å; D8-R12 PolarHBondContact O-N 3.15Å; F9-R12 PolarHBondContact O-N 3.29Å; R12-A14 VanDerWaalsContact C-N 3.31Å; R12-A14 PolarHBondContact O-N 2.96Å; R12-L15 PolarHBondContact O-N 3.32Å; R12-D16 PolarHBondContact O-N 2.97Å
13	A	53	Low	63.5	Low	65 Å²	65	87.2 Å²	87.2	54%	0.537	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-35.6	179.4	0	0	0	0	0	112.8	F9 L15	F9-A13 PolarHBondContact O-N 2.7Å; F9-A13 VanDerWaalsContact O-N 3.16Å; A13-L15 PolarHBondContact O-N 2.73Å
14	A	52.7	Low	66.3	Low	77 Å²	77	83.1 Å²	83.1	64%	0.636	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.2	178.4	0	0	0	0	0	114.8	H10 Q11 R12	H10-A14 PolarHBondContact O-N 3.26Å; Q11-A14 PolarHBondContact O-N 2.91Å; R12-A14 VanDerWaalsContact C-N 3.31Å; R12-A14 PolarHBondContact O-N 2.96Å
15	L	61.5	Low	68.7	Low	7 Å²	7	77.4 Å²	77.4	4%	0.037	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-12.5	-172.7	-62.3	171.7	0	0	0	114.3	Q11 R12 A13 I17 Q69 V73 K76	Q11-L15 WeakPolarHBondContact O-CD1 3.42Å; Q11-L15 WeakPolarHBondContact O-CG 3.48Å; R12-L15 PolarHBondContact O-N 3.32Å; A13-L15 PolarHBondContact O-N 2.73Å; L15-I17 HydrophobicContact CB-CD1 3.99Å; L15-I17 HydrophobicContact CB-CG1 3.71Å; L15-I17 HydrophobicContact CD1-CD1 3.61Å; L15-I17 HydrophobicContact CD1-CG1 4.3Å; L15-I17 HydrophobicContact CG-CD1 4.47Å; L15-I17 PolarHBondContact O-N 3.14Å; L15-Q69 HydrophobicContact CD1-CB 4.15Å; L15-Q69 HydrophobicContact CD1-CG 3.61Å; L15-Q69 HydrophobicContact CD2-CG 3.92Å; L15-Q69 HydrophobicContact CG-CG 4.37Å; L15-V73 HydrophobicContact CD2-CG2 3.44Å; L15-V73 VanDerWaalsContact CD2-CG2 3.44Å; L15-K76 VanDerWaalsContact C-NZ 3.35Å; L15-K76 PolarHBondContact O-NZ 3.36Å
16	D	70.6	Confident	71	Confident	120 Å²	120	75.6 Å²	75.6	64%	0.642	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.3	-165.9	-53.4	-56	0	0	0	113.8	R12 S18 K76	R12-D16 PolarHBondContact O-N 2.97Å; D16-S18 PolarHBondContact O-N 2.78Å; D16-K76 IonicContact OD2-NZ 2.67Å; D16-K76 PolarHBondContact OD2-NZ 2.83Å
17	I	81.6	Confident	73.4	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.051	36%	0.357	C	S	.	.			trans	-77.1	116.9	172.7	-56.1	174.3	0	0	0	108.5	L15 F65 I72 I91 L96	L15-I17 HydrophobicContact CB-CD1 3.99Å; L15-I17 HydrophobicContact CB-CG1 3.71Å; L15-I17 HydrophobicContact CD1-CD1 3.61Å; L15-I17 HydrophobicContact CD1-CG1 4.3Å; L15-I17 HydrophobicContact CG-CD1 4.47Å; L15-I17 PolarHBondContact O-N 3.14Å; I17-F65 HydrophobicContact CD1-CZ 3.86Å; I17-I72 HydrophobicContact CD1-CD1 3.53Å; I17-I72 HydrophobicContact CG1-CD1 4.13Å; I17-I91 HydrophobicContact CG2-CB 3.9Å; I17-I91 HydrophobicContact CG2-CG2 3.65Å; I17-L96 HydrophobicContact CG2-CD1 4.46Å
18	S	84.6	Confident	75.3	Confident	30 Å²	30	69.8 Å²	69.8	21%	0.21	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-71.3	136.5	-179	-178.4	0	0	0	0	111.7	D16 K20 S89 Y90 I91	D16-S18 PolarHBondContact O-N 2.78Å; S18-K20 WeakPolarHBondContact OG-CB 3.34Å; S18-K20 PolarHBondContact OG-N 3.32Å; S18-S89 PolarHBondContact N-O 3.13Å; S18-Y90 VanDerWaalsContact CB-CD1 3.48Å; S18-Y90 CarbonylContact O-C 3.58Å; S18-Y90 WeakPolarHBondContact O-CA 3.1Å; S18-Y90 WeakPolarHBondContact OG-CD1 3.09Å; S18-I91 PolarHBondContact O-N 2.96Å
19	T	85.4	Confident	76.8	Confident	91 Å²	91	69.4 Å²	69.4	56%	0.558	36%	0.363	S	S	*	.			trans	-94.7	2.9	168.3	55.2	0	0	0	0	112.8	I91	T19-I91 HydrophobicContact CG2-CG2 4.07Å
20	K	88.1	Confident	78.4	Confident	128 Å²	128	66.6 Å²	66.6	56%	0.557	36%	0.355	S	S	*	.	S	Bend	trans	-66.9	168.5	173.9	-61.1	-175.5	179.9	-178.8	0	110.8	S18 P22	S18-K20 WeakPolarHBondContact OG-CB 3.34Å; S18-K20 PolarHBondContact OG-N 3.32Å; K20-P22 WeakPolarHBondContact O-CD 3.17Å
21	N	86.9	Confident	80.1	Confident	30 Å²	30	66.7 Å²	66.7	16%	0.16	35%	0.349	C	S	.	.			trans	-74.2	121	170.4	178	39.2	0	0	0	109.9	Q23 D24 R92	N21-Q23 PolarHBondContact O-N 2.67Å; N21-Q23 VanDerWaalsContact O-N 3.15Å; N21-D24 WeakPolarHBondContact CB-OD1 3.22Å; N21-D24 WeakPolarHBondContact CB-OD2 3.46Å; N21-D24 PolarHBondContact ND2-OD1 3.11Å; N21-D24 WeakPolarHBondContact O-CB 3.39Å; N21-D24 PolarHBondContact O-N 3.04Å; N21-R92 PolarHBondContact OD1-NH1 2.77Å
22	P	89.5	Confident	81.3	Confident	1 Å²	1	66 Å²	66	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-23.1	179.3	22.5	-31.5	0	0	0	112.7	K20 D24 D25 F26 Y90 W97	K20-P22 WeakPolarHBondContact O-CD 3.17Å; P22-D24 PolarHBondContact O-N 3.45Å; P22-D25 PolarHBondContact O-N 3.4Å; P22-F26 PolarHBondContact O-N 2.93Å; P22-Y90 HydrophobicContact CB-CD1 3.97Å; P22-Y90 HydrophobicContact CB-CD2 3.95Å; P22-Y90 HydrophobicContact CB-CE1 4.41Å; P22-Y90 HydrophobicContact CB-CE2 4.42Å; P22-Y90 HydrophobicContact CB-CG 3.74Å; P22-Y90 HydrophobicContact CG-CG 4.46Å; P22-W97 HydrophobicContact CB-CD2 4.2Å; P22-W97 HydrophobicContact CB-CE3 4.09Å; P22-W97 HydrophobicContact CB-CG 4.4Å; P22-W97 HydrophobicContact CG-CD2 3.5Å; P22-W97 VanDerWaalsContact CG-CD2 3.5Å; P22-W97 HydrophobicContact CG-CE3 3.68Å; P22-W97 HydrophobicContact CG-CG 3.86Å; P22-W97 HydrophobicContact CG-CH2 4.4Å; P22-W97 HydrophobicContact CG-CZ2 4.21Å; P22-W97 HydrophobicContact CG-CZ3 4.14Å
23	Q	90	Very high	81.9	Confident	101 Å²	101	63.9 Å²	63.9	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-73.2	-8.3	174.5	-61.3	175.2	-44.3	0	0	113.7	N21 F26 I28 K46	N21-Q23 PolarHBondContact O-N 2.67Å; N21-Q23 VanDerWaalsContact O-N 3.15Å; Q23-F26 CarbonylContact C-O 3.47Å; Q23-F26 VanDerWaalsContact CA-O 3.29Å; Q23-F26 WeakPolarHBondContact CA-O 3.43Å; Q23-I28 HydrophobicContact CG-CG1 4.3Å; Q23-K46 PolarHBondContact O-NZ 2.85Å
24	D	91.8	Very high	82.4	Confident	94 Å²	94	63 Å²	63	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-74.9	-41.2	173.5	-58.1	-10.9	0	0	0	110	N21 P22 K46	N21-D24 WeakPolarHBondContact CB-OD1 3.22Å; N21-D24 WeakPolarHBondContact CB-OD2 3.46Å; N21-D24 PolarHBondContact ND2-OD1 3.11Å; N21-D24 WeakPolarHBondContact O-CB 3.39Å; N21-D24 PolarHBondContact O-N 3.04Å; P22-D24 PolarHBondContact O-N 3.45Å; D24-K46 VanDerWaalsContact O-CD 3.28Å; D24-K46 WeakPolarHBondContact O-CD 3.43Å
25	D	92.9	Very high	82.6	Confident	27 Å²	27	62 Å²	62	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-88.6	-27.6	179.2	-65.6	-51.8	0	0	0	112.9	P22 K46 Q47 Y90	P22-D25 PolarHBondContact O-N 3.4Å; D25-K46 WeakPolarHBondContact O-CB 3.36Å; D25-K46 PolarHBondContact O-N 2.82Å; D25-Q47 PolarHBondContact OD1-NE2 3.07Å; D25-Y90 WeakPolarHBondContact CB-OH 3.32Å; D25-Y90 VanDerWaalsContact CG-OH 3.31Å; D25-Y90 WeakPolarHBondContact OD2-CE1 3.39Å; D25-Y90 PolarHBondContact OD2-OH 3.44Å
26	F	94.6	Very high	82.1	Confident	12 Å²	12	67 Å²	67	5%	0.053	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.3	-175.6	-65.6	-89.8	0	0	0	114.1	P22 Q23 A43 R44 N45 A52 I54 Y90 C99	P22-F26 PolarHBondContact O-N 2.93Å; Q23-F26 CarbonylContact C-O 3.47Å; Q23-F26 VanDerWaalsContact CA-O 3.29Å; Q23-F26 WeakPolarHBondContact CA-O 3.43Å; F26-A43 HydrophobicContact CB-CB 4.35Å; F26-A43 HydrophobicContact CD1-CB 4.33Å; F26-R44 CarbonylContact C-O 3.51Å; F26-R44 VanDerWaalsContact CA-O 3.32Å; F26-R44 WeakPolarHBondContact CA-O 3.31Å; F26-N45 HydrophobicContact CD1-CB 4.1Å; F26-N45 HydrophobicContact CE1-CB 3.81Å; F26-A52 HydrophobicContact CD1-CB 4.17Å; F26-A52 HydrophobicContact CE1-CB 3.68Å; F26-I54 HydrophobicContact CB-CD1 3.87Å; F26-I54 HydrophobicContact CD1-CD1 3.98Å; F26-I54 HydrophobicContact CD2-CD1 4.19Å; F26-I54 HydrophobicContact CG-CD1 3.75Å; F26-Y90 HydrophobicContact CD2-CE2 4.45Å; F26-Y90 HydrophobicContact CE2-CE2 4.05Å; F26-C99 HydrophobicContact CE2-CB 4.22Å; F26-C99 HydrophobicContact CZ-CB 4.04Å
27	E	94.5	Very high	81.6	Confident	88 Å²	88	64.3 Å²	64.3	41%	0.411	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.2	163.4	174.4	-172.2	-138.7	0	0	108.8	L29 A43 R44 K46	E27-L29 HydrophobicContact CG-CD2 3.85Å; E27-A43 CarbonylContact O-C 3.52Å; E27-A43 WeakPolarHBondContact O-CA 3.5Å; E27-A43 VanDerWaalsContact O-CB 3.27Å; E27-A43 WeakPolarHBondContact O-CB 3.45Å; E27-R44 HydrophobicContact CB-CB 4.3Å; E27-R44 PolarHBondContact N-O 2.99Å; E27-R44 PolarHBondContact O-N 2.9Å; E27-R44 IonicContact OE2-NE 2.76Å; E27-K46 HydrophobicContact CB-CG 4.37Å
28	I	92.3	Very high	81	Confident	53 Å²	53	65 Å²	65	27%	0.272	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.7	176.6	-51.4	-59	0	0	0	108.7	Q23 Y41 A43 I54 W97	Q23-I28 HydrophobicContact CG-CG1 4.3Å; I28-Y41 HydrophobicContact CG2-CD1 3.77Å; I28-Y41 HydrophobicContact CG2-CG 4.04Å; I28-A43 HydrophobicContact CD1-CB 4.08Å; I28-I54 HydrophobicContact CD1-CD1 3.84Å; I28-W97 HydrophobicContact CD1-CZ3 4.27Å
29	L	88.6	Confident	80.9	Confident	71 Å²	71	66.5 Å²	66.5	37%	0.372	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-59.1	-172.2	-62.7	174.7	0	0	0	112.9	E27 K42 R44 L51	E27-L29 HydrophobicContact CG-CD2 3.85Å; L29-K42 WeakPolarHBondContact CB-O 3.47Å; L29-K42 HydrophobicContact CD1-CG 4.32Å; L29-K42 PolarHBondContact N-O 3.06Å; L29-R44 HydrophobicContact CD1-CB 4.26Å; L29-L51 HydrophobicContact CD1-CD2 4.14Å
30	L	86.1	Confident	80.9	Confident	97 Å²	97	64 Å²	64	51%	0.508	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	152.1	-178.5	62	92.4	0	0	0	111.7	V32 Y41 K42	L30-V32 HydrophobicContact CD1-CG1 3.49Å; L30-V32 VanDerWaalsContact CD1-CG1 3.49Å; L30-V32 PolarHBondContact O-N 2.89Å; L30-Y41 CarbonylContact O-C 3.53Å; L30-Y41 WeakPolarHBondContact O-CA 3.17Å; L30-K42 HydrophobicContact CD1-CB 4.42Å; L30-K42 HydrophobicContact CG-CB 4.34Å; L30-K42 PolarHBondContact N-O 2.94Å; L30-K42 PolarHBondContact O-N 3.28Å
31	R	85.6	Confident	80.9	Confident	139 Å²	139	60.5 Å²	60.5	53%	0.525	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.3	171.9	-176.2	173.5	162.1	-164.3	-15.7	109.3	G33 E39 Y41	R31-G33 WeakPolarHBondContact CG-O 3.37Å; R31-G33 PolarHBondContact NE-O 3.31Å; R31-E39 VanDerWaalsContact CD-OE1 3.29Å; R31-E39 WeakPolarHBondContact CD-OE1 3.19Å; R31-E39 IonicContact CZ-OE1 3.82Å; R31-E39 VanDerWaalsContact CZ-OE1 3.28Å; R31-E39 IonicContact NE-OE1 2.99Å; R31-E39 PolarHBondContact NE-OE1 2.96Å; R31-E39 IonicContact NH1-OE1 2.73Å; R31-E39 PolarHBondContact NH1-OE1 2.9Å; R31-Y41 HydrophobicContact CB-CD1 3.89Å; R31-Y41 HydrophobicContact CB-CE1 3.75Å; R31-Y41 HydrophobicContact CG-CE1 4.31Å
32	V	78.2	Confident	81.2	Confident	72 Å²	72	61.4 Å²	61.4	44%	0.436	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-20.7	178.2	-70.7	0	0	0	0	113.3	L30 V40 K42 F102	L30-V32 HydrophobicContact CD1-CG1 3.49Å; L30-V32 VanDerWaalsContact CD1-CG1 3.49Å; L30-V32 PolarHBondContact O-N 2.89Å; V32-V40 HydrophobicContact CG2-CB 4.18Å; V32-V40 HydrophobicContact CG2-CG1 3.82Å; V32-V40 WeakPolarHBondContact CG2-O 3.23Å; V32-V40 PolarHBondContact N-O 2.93Å; V32-K42 HydrophobicContact CG1-CB 3.71Å; V32-F102 HydrophobicContact CG1-CE2 4.23Å
33	G	70.9	Confident	81.4	Confident	29 Å²	29	61.4 Å²	61.4	30%	0.299	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-172.5	-179.9	0	0	0	0	0	113.7	R31 V40	R31-G33 WeakPolarHBondContact CG-O 3.37Å; R31-G33 PolarHBondContact NE-O 3.31Å; G33-V40 PolarHBondContact N-O 2.8Å; G33-V40 VanDerWaalsContact N-O 3.14Å; G33-V40 PolarHBondContact O-N 3Å
34	G	64.3	Low	81.7	Confident	47 Å²	47	61.4 Å²	61.4	49%	0.485	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	144.5	169.9	0	0	0	0	0	110.3	G38	G34-G38 CarbonylContact C-O 3.48Å; G34-G38 VanDerWaalsContact CA-O 3.26Å; G34-G38 WeakPolarHBondContact CA-O 3.46Å
35	G	56.7	Low	81.8	Confident	55 Å²	55	58.5 Å²	58.5	57%	0.567	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	-171.1	178.1	0	0	0	0	0	111	Y37 G38	G35-Y37 PolarHBondContact O-N 2.95Å; G35-G38 PolarHBondContact N-O 2.93Å; G35-G38 PolarHBondContact O-N 2.71Å
36	T	50.6	Low	81.9	Confident	111 Å²	111	63 Å²	63	68%	0.681	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.2	-177.7	42.2	0	0	0	0	115.2
37	Y	59.7	Low	81.8	Confident	65 Å²	65	69.8 Å²	69.8	26%	0.255	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-7.9	-176.4	-47.9	-76.1	0	0	0	114.2	G35 S168 I171 T172	G35-Y37 PolarHBondContact O-N 2.95Å; Y37-S168 PolarHBondContact OH-O 3.27Å; Y37-S168 VanDerWaalsContact OH-O 3.14Å; Y37-I171 HydrophobicContact CD1-CG2 3.89Å; Y37-I171 HydrophobicContact CE1-CB 4.21Å; Y37-I171 HydrophobicContact CE1-CG2 3.67Å; Y37-T172 PolarHBondContact OH-OG1 2.83Å
38	G	70.5	Confident	81.7	Confident	23 Å²	23	69.7 Å²	69.7	24%	0.237	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-175.8	-175.7	0	0	0	0	0	115.9	G34 G35 V56	G34-G38 CarbonylContact C-O 3.48Å; G34-G38 VanDerWaalsContact CA-O 3.26Å; G34-G38 WeakPolarHBondContact CA-O 3.46Å; G35-G38 PolarHBondContact N-O 2.93Å; G35-G38 PolarHBondContact O-N 2.71Å; G38-V56 VanDerWaalsContact CA-O 3.28Å; G38-V56 WeakPolarHBondContact CA-O 3.22Å
39	E	80.9	Confident	81.7	Confident	63 Å²	63	68.7 Å²	68.7	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148.9	-178.1	-63.2	179	102.1	0	0	110.9	R31 Y41 V56	R31-E39 VanDerWaalsContact CD-OE1 3.29Å; R31-E39 WeakPolarHBondContact CD-OE1 3.19Å; R31-E39 IonicContact CZ-OE1 3.82Å; R31-E39 VanDerWaalsContact CZ-OE1 3.28Å; R31-E39 IonicContact NE-OE1 2.99Å; R31-E39 PolarHBondContact NE-OE1 2.96Å; R31-E39 IonicContact NH1-OE1 2.73Å; R31-E39 PolarHBondContact NH1-OE1 2.9Å; E39-Y41 HydrophobicContact CB-CD2 4.39Å; E39-Y41 HydrophobicContact CB-CE2 3.65Å; E39-Y41 PolarHBondContact OE1-OH 3.24Å; E39-Y41 PolarHBondContact OE2-OH 2.66Å; E39-V56 PolarHBondContact N-O 3.07Å; E39-V56 VanDerWaalsContact N-O 3.13Å; E39-V56 PolarHBondContact O-N 2.72Å
40	V	86.5	Confident	81.9	Confident	39 Å²	39	70.5 Å²	70.5	24%	0.236	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.5	175.8	-172.2	0	0	0	0	109.8	V32 G33 A53 I54 K55	V32-V40 HydrophobicContact CG2-CB 4.18Å; V32-V40 HydrophobicContact CG2-CG1 3.82Å; V32-V40 WeakPolarHBondContact CG2-O 3.23Å; V32-V40 PolarHBondContact N-O 2.93Å; G33-V40 PolarHBondContact N-O 2.8Å; G33-V40 VanDerWaalsContact N-O 3.14Å; G33-V40 PolarHBondContact O-N 3Å; V40-A53 HydrophobicContact CG1-CB 4.39Å; V40-I54 WeakPolarHBondContact CA-O 3.04Å; V40-K55 HydrophobicContact CG2-CB 4.42Å; V40-K55 HydrophobicContact CG2-CG 4.41Å
41	Y	88.4	Confident	82.3	Confident	54 Å²	54	68.5 Å²	68.5	21%	0.212	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.7	-179.5	-64.5	-93.7	0	0	0	111.4	I28 L30 R31 E39 A53 I54 V56	I28-Y41 HydrophobicContact CG2-CD1 3.77Å; I28-Y41 HydrophobicContact CG2-CG 4.04Å; L30-Y41 CarbonylContact O-C 3.53Å; L30-Y41 WeakPolarHBondContact O-CA 3.17Å; R31-Y41 HydrophobicContact CB-CD1 3.89Å; R31-Y41 HydrophobicContact CB-CE1 3.75Å; R31-Y41 HydrophobicContact CG-CE1 4.31Å; E39-Y41 HydrophobicContact CB-CD2 4.39Å; E39-Y41 HydrophobicContact CB-CE2 3.65Å; E39-Y41 PolarHBondContact OE1-OH 3.24Å; E39-Y41 PolarHBondContact OE2-OH 2.66Å; Y41-A53 CarbonylContact O-C 3.53Å; Y41-A53 WeakPolarHBondContact O-CA 3.24Å; Y41-I54 PolarHBondContact N-O 2.92Å; Y41-I54 PolarHBondContact O-N 2.82Å; Y41-V56 HydrophobicContact CD2-CG2 3.85Å; Y41-V56 HydrophobicContact CE2-CB 4.39Å; Y41-V56 HydrophobicContact CE2-CG2 4.03Å
42	K	92.8	Very high	82.7	Confident	49 Å²	49	61.9 Å²	61.9	21%	0.213	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.3	159.8	-178.5	175.8	-168.9	165.6	0	108.4	L29 L30 V32 F102	L29-K42 WeakPolarHBondContact CB-O 3.47Å; L29-K42 HydrophobicContact CD1-CG 4.32Å; L29-K42 PolarHBondContact N-O 3.06Å; L30-K42 HydrophobicContact CD1-CB 4.42Å; L30-K42 HydrophobicContact CG-CB 4.34Å; L30-K42 PolarHBondContact N-O 2.94Å; L30-K42 PolarHBondContact O-N 3.28Å; V32-K42 HydrophobicContact CG1-CB 3.71Å; K42-F102 HydrophobicContact CB-CD2 4.27Å; K42-F102 HydrophobicContact CB-CE2 3.77Å; K42-F102 HydrophobicContact CB-CZ 4.37Å; K42-F102 HydrophobicContact CD-CD2 4.44Å; K42-F102 HydrophobicContact CD-CE1 3.99Å; K42-F102 HydrophobicContact CD-CE2 3.77Å; K42-F102 HydrophobicContact CD-CZ 3.52Å; K42-F102 HydrophobicContact CG-CD2 3.94Å; K42-F102 HydrophobicContact CG-CE1 4.47Å; K42-F102 HydrophobicContact CG-CE2 3.61Å; K42-F102 HydrophobicContact CG-CZ 3.92Å
43	A	94.6	Very high	83.4	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	167.4	178.2	0	0	0	0	0	111	F26 E27 I28 L51 A52 I54	F26-A43 HydrophobicContact CB-CB 4.35Å; F26-A43 HydrophobicContact CD1-CB 4.33Å; E27-A43 CarbonylContact O-C 3.52Å; E27-A43 WeakPolarHBondContact O-CA 3.5Å; E27-A43 VanDerWaalsContact O-CB 3.27Å; E27-A43 WeakPolarHBondContact O-CB 3.45Å; I28-A43 HydrophobicContact CD1-CB 4.08Å; A43-L51 WeakPolarHBondContact O-CA 3.25Å; A43-A52 PolarHBondContact N-O 2.84Å; A43-A52 PolarHBondContact O-N 3.34Å; A43-I54 HydrophobicContact CB-CD1 3.41Å; A43-I54 VanDerWaalsContact CB-CD1 3.41Å; A43-I54 HydrophobicContact CB-CG1 3.83Å
44	R	95.3	Very high	84.4	Confident	101 Å²	101	57.6 Å²	57.6	38%	0.381	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132	170	-173.9	-172.4	-59	-78	6.1	109.7	F26 E27 L29 K46 G49 E50	F26-R44 CarbonylContact C-O 3.51Å; F26-R44 VanDerWaalsContact CA-O 3.32Å; F26-R44 WeakPolarHBondContact CA-O 3.31Å; E27-R44 HydrophobicContact CB-CB 4.3Å; E27-R44 PolarHBondContact N-O 2.99Å; E27-R44 PolarHBondContact O-N 2.9Å; E27-R44 IonicContact OE2-NE 2.76Å; L29-R44 HydrophobicContact CD1-CB 4.26Å; R44-K46 PolarHBondContact O-N 2.7Å; R44-G49 WeakPolarHBondContact CG-O 3.1Å; R44-G49 PolarHBondContact NH1-O 2.64Å; R44-E50 CarbonylContact C-O 3.2Å; R44-E50 VanDerWaalsContact CA-O 3.29Å; R44-E50 WeakPolarHBondContact CA-O 3.22Å
45	N	94	Very high	85.5	Confident	33 Å²	33	56 Å²	56	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.7	170.2	177.2	-19.3	0	0	0	109.1	F26 Q47 N48 G49 E50	F26-N45 HydrophobicContact CD1-CB 4.1Å; F26-N45 HydrophobicContact CE1-CB 3.81Å; N45-Q47 VanDerWaalsContact C-N 3.29Å; N45-Q47 PolarHBondContact O-N 2.96Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.01Å; N45-Q47 PolarHBondContact OD1-N 2.85Å; N45-N48 VanDerWaalsContact CB-OD1 3.26Å; N45-N48 WeakPolarHBondContact CB-OD1 3.44Å; N45-N48 PolarHBondContact ND2-OD1 3.1Å; N45-G49 VanDerWaalsContact O-CA 3.24Å; N45-G49 WeakPolarHBondContact O-CA 3.47Å; N45-G49 PolarHBondContact O-N 2.76Å; N45-E50 PolarHBondContact N-O 2.66Å
46	K	94.1	Very high	86.9	Confident	123 Å²	123	53.8 Å²	53.8	54%	0.535	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.9	-175.9	-72.1	173	165.4	-176.7	0	113.8	Q23 D24 D25 E27 R44	Q23-K46 PolarHBondContact O-NZ 2.85Å; D24-K46 VanDerWaalsContact O-CD 3.28Å; D24-K46 WeakPolarHBondContact O-CD 3.43Å; D25-K46 WeakPolarHBondContact O-CB 3.36Å; D25-K46 PolarHBondContact O-N 2.82Å; E27-K46 HydrophobicContact CB-CG 4.37Å; R44-K46 PolarHBondContact O-N 2.7Å
47	Q	92.6	Very high	88.5	Confident	154 Å²	154	49.1 Å²	49.1	72%	0.72	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-36.5	-176.1	-55.2	-177.1	15.2	0	0	112.7	D25 N45	D25-Q47 PolarHBondContact OD1-NE2 3.07Å; N45-Q47 VanDerWaalsContact C-N 3.29Å; N45-Q47 PolarHBondContact O-N 2.96Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.01Å; N45-Q47 PolarHBondContact OD1-N 2.85Å
48	N	92.9	Very high	89.5	Confident	85 Å²	85	52.2 Å²	52.2	46%	0.455	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-5.9	-176.3	71.7	-0.2	0	0	0	114.8	N45 E50	N45-N48 VanDerWaalsContact CB-OD1 3.26Å; N45-N48 WeakPolarHBondContact CB-OD1 3.44Å; N45-N48 PolarHBondContact ND2-OD1 3.1Å; N48-E50 VanDerWaalsContact C-N 3.27Å; N48-E50 PolarHBondContact ND2-OE2 3.23Å; N48-E50 PolarHBondContact O-N 2.99Å; N48-E50 WeakPolarHBondContact OD1-CB 3.33Å; N48-E50 PolarHBondContact OD1-N 3.17Å; N48-E50 VanDerWaalsContact OD1-N 3.07Å
49	G	91.8	Very high	89.7	Confident	33 Å²	33	51.5 Å²	51.5	34%	0.34	25%	0.249	S	C	.	.			trans	78.4	-0.1	177.9	0	0	0	0	0	115.7	R44 N45	R44-G49 WeakPolarHBondContact CG-O 3.1Å; R44-G49 PolarHBondContact NH1-O 2.64Å; N45-G49 VanDerWaalsContact O-CA 3.24Å; N45-G49 WeakPolarHBondContact O-CA 3.47Å; N45-G49 PolarHBondContact O-N 2.76Å
50	E	93.1	Very high	89.4	Confident	108 Å²	108	52.3 Å²	52.3	51%	0.505	25%	0.253	S	S	.	.			trans	-68.6	157.6	-179.6	-67.8	178.7	159.5	0	0	112.6	R44 N45 N48	R44-E50 CarbonylContact C-O 3.2Å; R44-E50 VanDerWaalsContact CA-O 3.29Å; R44-E50 WeakPolarHBondContact CA-O 3.22Å; N45-E50 PolarHBondContact N-O 2.66Å; N48-E50 VanDerWaalsContact C-N 3.27Å; N48-E50 PolarHBondContact ND2-OE2 3.23Å; N48-E50 PolarHBondContact O-N 2.99Å; N48-E50 WeakPolarHBondContact OD1-CB 3.33Å; N48-E50 PolarHBondContact OD1-N 3.17Å; N48-E50 VanDerWaalsContact OD1-N 3.07Å
51	L	94	Very high	88.6	Confident	55 Å²	55	54.6 Å²	54.6	29%	0.288	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135	178.2	-66.3	175.1	0	0	0	111.3	L29 A43 F102	L29-L51 HydrophobicContact CD1-CD2 4.14Å; A43-L51 WeakPolarHBondContact O-CA 3.25Å; L51-F102 HydrophobicContact CB-CB 3.83Å; L51-F102 HydrophobicContact CB-CD1 4.01Å; L51-F102 HydrophobicContact CB-CG 4.06Å; L51-F102 HydrophobicContact CD1-CD1 4.03Å; L51-F102 HydrophobicContact CD1-CE1 4.43Å; L51-F102 WeakPolarHBondContact O-CB 3.39Å
52	A	94.6	Very high	87.5	Confident	1 Å²	1	58 Å²	58	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.4	175	0	0	0	0	0	111.2	F26 A43 Y87 M100	F26-A52 HydrophobicContact CD1-CB 4.17Å; F26-A52 HydrophobicContact CE1-CB 3.68Å; A43-A52 PolarHBondContact N-O 2.84Å; A43-A52 PolarHBondContact O-N 3.34Å; A52-Y87 HydrophobicContact CB-CD2 3.99Å; A52-Y87 HydrophobicContact CB-CE2 4.07Å; A52-M100 CarbonylContact C-O 3.55Å; A52-M100 WeakPolarHBondContact CA-O 3.3Å
53	A	92.8	Very high	86.3	Confident	11 Å²	11	57.7 Å²	57.7	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.9	159.6	0	0	0	0	0	108.9	V40 Y41 C99 M100 F102	V40-A53 HydrophobicContact CG1-CB 4.39Å; Y41-A53 CarbonylContact O-C 3.53Å; Y41-A53 WeakPolarHBondContact O-CA 3.24Å; A53-C99 WeakPolarHBondContact O-CA 3.48Å; A53-M100 HydrophobicContact CB-CG 3.8Å; A53-M100 PolarHBondContact N-O 3.5Å; A53-M100 PolarHBondContact O-N 3.3Å; A53-F102 HydrophobicContact CB-CD2 4.3Å
54	I	91.6	Very high	85	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	107.5	179.9	-61.2	-171.4	0	0	0	108.6	F26 I28 V40 Y41 A43 V56 W97 I98 C99	F26-I54 HydrophobicContact CB-CD1 3.87Å; F26-I54 HydrophobicContact CD1-CD1 3.98Å; F26-I54 HydrophobicContact CD2-CD1 4.19Å; F26-I54 HydrophobicContact CG-CD1 3.75Å; I28-I54 HydrophobicContact CD1-CD1 3.84Å; V40-I54 WeakPolarHBondContact CA-O 3.04Å; Y41-I54 PolarHBondContact N-O 2.92Å; Y41-I54 PolarHBondContact O-N 2.82Å; A43-I54 HydrophobicContact CB-CD1 3.41Å; A43-I54 VanDerWaalsContact CB-CD1 3.41Å; A43-I54 HydrophobicContact CB-CG1 3.83Å; I54-V56 HydrophobicContact CG2-CG2 3.98Å; I54-W97 HydrophobicContact CG2-CB 4.37Å; I54-W97 HydrophobicContact CG2-CE3 3.75Å; I54-W97 HydrophobicContact CG2-CZ3 4.49Å; I54-I98 WeakPolarHBondContact CA-O 3.12Å; I54-C99 HydrophobicContact CG1-CB 4.42Å
55	K	87.9	Confident	83.7	Confident	13 Å²	13	57.4 Å²	57.4	6%	0.057	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.3	176.6	-179.5	-178	177.8	-174.5	0	108.4	V40 I57 E71 W97 I98 M100 D164	V40-K55 HydrophobicContact CG2-CB 4.42Å; V40-K55 HydrophobicContact CG2-CG 4.41Å; K55-I57 HydrophobicContact CD-CD1 4.49Å; K55-I57 HydrophobicContact CG-CG1 4.3Å; K55-E71 IonicContact NZ-OE1 3.7Å; K55-E71 PolarHBondContact NZ-OE1 2.8Å; K55-W97 CarbonylContact O-C 3.51Å; K55-W97 WeakPolarHBondContact O-CA 3.29Å; K55-I98 HydrophobicContact CB-CB 4.39Å; K55-I98 PolarHBondContact N-O 3.13Å; K55-I98 PolarHBondContact O-N 3.37Å; K55-M100 HydrophobicContact CB-CE 3.71Å; K55-M100 HydrophobicContact CD-CE 4.24Å; K55-D164 WeakPolarHBondContact CE-OD1 3.44Å; K55-D164 IonicContact NZ-OD1 2.68Å; K55-D164 PolarHBondContact NZ-OD1 3.46Å
56	V	87.3	Confident	82.2	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.3	-175.4	-175.1	0	0	0	0	109.4	G38 E39 Y41 I54 K95 L96 W97	G38-V56 VanDerWaalsContact CA-O 3.28Å; G38-V56 WeakPolarHBondContact CA-O 3.22Å; E39-V56 PolarHBondContact N-O 3.07Å; E39-V56 VanDerWaalsContact N-O 3.13Å; E39-V56 PolarHBondContact O-N 2.72Å; Y41-V56 HydrophobicContact CD2-CG2 3.85Å; Y41-V56 HydrophobicContact CE2-CB 4.39Å; Y41-V56 HydrophobicContact CE2-CG2 4.03Å; I54-V56 HydrophobicContact CG2-CG2 3.98Å; V56-K95 HydrophobicContact CG1-CB 4.27Å; V56-K95 HydrophobicContact CG1-CD 3.91Å; V56-K95 HydrophobicContact CG1-CG 4.45Å; V56-L96 WeakPolarHBondContact CA-O 3.35Å; V56-W97 HydrophobicContact CG1-CD2 4.21Å; V56-W97 HydrophobicContact CG1-CZ2 4.29Å; V56-W97 HydrophobicContact CG2-CD2 3.88Å; V56-W97 HydrophobicContact CG2-CE3 3.54Å; V56-W97 HydrophobicContact CG2-CG 4.5Å; V56-W97 HydrophobicContact CG2-CH2 4.38Å; V56-W97 HydrophobicContact CG2-CZ3 3.81Å
57	I	82.4	Confident	80.7	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.7	-179	-60.8	171.4	0	0	0	108	K55 K95 L96 I98	K55-I57 HydrophobicContact CD-CD1 4.49Å; K55-I57 HydrophobicContact CG-CG1 4.3Å; I57-K95 CarbonylContact O-C 3.59Å; I57-K95 VanDerWaalsContact O-CA 3.3Å; I57-K95 WeakPolarHBondContact O-CA 3.2Å; I57-L96 HydrophobicContact CB-CB 4.4Å; I57-L96 HydrophobicContact CD1-CD2 4.38Å; I57-L96 PolarHBondContact N-O 2.85Å; I57-L96 PolarHBondContact O-N 2.93Å; I57-I98 HydrophobicContact CD1-CD1 4.05Å
58	K	80.9	Confident	79.5	Confident	131 Å²	131	46.9 Å²	46.9	57%	0.57	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.4	168.5	-167.7	-165.6	179	-159	0	108.2	E60	K58-E60 WeakPolarHBondContact CD-OE1 3.44Å; K58-E60 WeakPolarHBondContact CE-OE1 2.98Å; K58-E60 IonicContact NZ-OE1 3.24Å; K58-E60 PolarHBondContact NZ-OE1 2.91Å; K58-E60 IonicContact NZ-OE2 3.83Å
59	M	75.1	Confident	78.3	Confident	7 Å²	7	45 Å²	45	3%	0.034	24%	0.24	C	C	.	.			trans	-115	127.3	174.5	-62.3	172.3	-61.6	0	0	109.6	I5 D63 F65 I68 I91 N94 L96	I5-M59 HydrophobicContact CD1-CB 4.32Å; M59-D63 WeakPolarHBondContact CA-OD2 3.44Å; M59-F65 HydrophobicContact SD-CD2 3.87Å; M59-F65 HydrophobicContact SD-CE2 4.06Å; M59-I68 HydrophobicContact CG-CD1 4.23Å; M59-I68 HydrophobicContact SD-CD1 4.49Å; M59-I91 HydrophobicContact CE-CD1 3.7Å; M59-I91 HydrophobicContact CE-CG1 3.91Å; M59-N94 PolarHBondContact N-O 2.89Å; M59-L96 HydrophobicContact CE-CB 4.11Å; M59-L96 HydrophobicContact SD-CB 4.04Å
60	E	75.9	Confident	77	Confident	81 Å²	81	48.2 Å²	48.2	38%	0.379	25%	0.246	S	C	.	.			trans	-85.5	162	168.9	-58.1	-56	163.9	0	0	110.8	K58 E62 D63	K58-E60 WeakPolarHBondContact CD-OE1 3.44Å; K58-E60 WeakPolarHBondContact CE-OE1 2.98Å; K58-E60 IonicContact NZ-OE1 3.24Å; K58-E60 PolarHBondContact NZ-OE1 2.91Å; K58-E60 IonicContact NZ-OE2 3.83Å; E60-E62 PolarHBondContact O-N 2.92Å; E60-D63 PolarHBondContact N-OD2 2.81Å; E60-D63 PolarHBondContact O-N 3.02Å
61	P	67.9	Low	75.8	Confident	87 Å²	87	43.6 Å²	43.6	57%	0.565	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.6	179.9	-22.4	34.8	0	0	0	115.1
62	E	67.1	Low	74.9	Confident	126 Å²	126	41 Å²	41	59%	0.589	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-3.4	-173.5	-55.4	177.4	117.5	0	0	112.9	E60 R178	E60-E62 PolarHBondContact O-N 2.92Å; E62-R178 VanDerWaalsContact CD-CZ 3.45Å; E62-R178 VanDerWaalsContact CD-NH2 3.26Å; E62-R178 IonicContact OE1-CZ 2.67Å; E62-R178 IonicContact OE1-NH1 2.9Å; E62-R178 PolarHBondContact OE1-NH1 2.67Å; E62-R178 IonicContact OE1-NH2 2.95Å; E62-R178 PolarHBondContact OE1-NH2 3.03Å; E62-R178 IonicContact OE2-CZ 3.99Å; E62-R178 VanDerWaalsContact OE2-CZ 3.27Å; E62-R178 IonicContact OE2-NH1 2.74Å; E62-R178 PolarHBondContact OE2-NH1 3.11Å; E62-R178 IonicContact OE2-NH2 3.09Å
63	D	67.5	Low	73.9	Confident	42 Å²	42	44 Å²	44	23%	0.225	23%	0.229	C	C	.	.	S	Bend	trans	-74.5	133.9	-178.8	-72.5	-33.9	0	0	0	111.9	M59 E60 F65	M59-D63 WeakPolarHBondContact CA-OD2 3.44Å; E60-D63 PolarHBondContact N-OD2 2.81Å; E60-D63 PolarHBondContact O-N 3.02Å; D63-F65 PolarHBondContact O-N 2.92Å
64	D	66.1	Low	72.9	Confident	70 Å²	70	44.9 Å²	44.9	37%	0.374	23%	0.231	S	C	.	.			trans	-74.5	91.1	174.1	-175.5	-6.3	0	0	0	110.7	S66 I67 T174	D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 VanDerWaalsContact OD1-CB 3.27Å; D64-S66 WeakPolarHBondContact OD1-CB 3.34Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 2.84Å; D64-S66 PolarHBondContact OD2-OG 2.9Å; D64-I67 HydrophobicContact CB-CD1 3.8Å; D64-I67 HydrophobicContact CB-CG1 4Å; D64-I67 WeakPolarHBondContact O-CB 3.31Å; D64-I67 PolarHBondContact O-N 2.91Å; D64-I67 VanDerWaalsContact O-N 3.15Å; D64-T174 HydrophobicContact CB-CG2 4.19Å
65	F	67.4	Low	72	Confident	24 Å²	24	45.6 Å²	45.6	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-23.4	179.3	-175.7	-100.6	0	0	0	113.7	M7 I17 M59 D63 I67 I68 Q69	M7-F65 HydrophobicContact CE-CD1 3.47Å; M7-F65 VanDerWaalsContact CE-CD1 3.47Å; M7-F65 HydrophobicContact CE-CD2 3.52Å; M7-F65 HydrophobicContact CE-CE1 3.38Å; M7-F65 HydrophobicContact CE-CE2 3.44Å; M7-F65 VanDerWaalsContact CE-CE2 3.44Å; M7-F65 HydrophobicContact CE-CG 3.54Å; M7-F65 HydrophobicContact CE-CZ 3.38Å; M7-F65 HydrophobicContact CG-CD1 4.33Å; M7-F65 HydrophobicContact CG-CE1 4.3Å; M7-F65 HydrophobicContact SD-CD1 4.09Å; M7-F65 HydrophobicContact SD-CE1 3.6Å; M7-F65 HydrophobicContact SD-CE2 4.49Å; M7-F65 HydrophobicContact SD-CZ 3.84Å; I17-F65 HydrophobicContact CD1-CZ 3.86Å; M59-F65 HydrophobicContact SD-CD2 3.87Å; M59-F65 HydrophobicContact SD-CE2 4.06Å; D63-F65 PolarHBondContact O-N 2.92Å; F65-I67 PolarHBondContact O-N 2.94Å; F65-I68 HydrophobicContact CD2-CB 4.29Å; F65-I68 HydrophobicContact CE2-CB 4.45Å; F65-I68 PolarHBondContact O-N 2.98Å; F65-I68 VanDerWaalsContact O-N 3.13Å; F65-Q69 HydrophobicContact CD1-CB 4.21Å; F65-Q69 HydrophobicContact CE1-CB 3.87Å; F65-Q69 HydrophobicContact CZ-CB 4.38Å; F65-Q69 VanDerWaalsContact O-CB 3.32Å; F65-Q69 WeakPolarHBondContact O-CB 3.19Å; F65-Q69 PolarHBondContact O-N 3.05Å
66	S	63.3	Low	71.7	Confident	62 Å²	62	48.3 Å²	48.3	43%	0.434	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-30.5	179	75.4	0	0	0	0	112.1	D64 Q70	D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 VanDerWaalsContact OD1-CB 3.27Å; D64-S66 WeakPolarHBondContact OD1-CB 3.34Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 2.84Å; D64-S66 PolarHBondContact OD2-OG 2.9Å; S66-Q70 PolarHBondContact O-N 2.87Å; S66-Q70 VanDerWaalsContact O-N 3.16Å
67	I	61.9	Low	71.5	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.072	27%	0.265	C	S	.	.	H	α-helix	trans	-71.4	-42.7	177.9	-49.5	-179.3	0	0	0	110.3	D64 F65 Q70 E71 I167 Q170 I171 T174	D64-I67 HydrophobicContact CB-CD1 3.8Å; D64-I67 HydrophobicContact CB-CG1 4Å; D64-I67 WeakPolarHBondContact O-CB 3.31Å; D64-I67 PolarHBondContact O-N 2.91Å; D64-I67 VanDerWaalsContact O-N 3.15Å; F65-I67 PolarHBondContact O-N 2.94Å; I67-Q70 PolarHBondContact O-N 2.99Å; I67-E71 PolarHBondContact O-N 2.81Å; I67-I167 HydrophobicContact CG2-CG2 3.33Å; I67-Q170 HydrophobicContact CG2-CB 4.27Å; I67-I171 HydrophobicContact CB-CG1 4.34Å; I67-I171 HydrophobicContact CG2-CB 4.37Å; I67-I171 HydrophobicContact CG2-CD1 4.45Å; I67-I171 HydrophobicContact CG2-CG1 3.39Å; I67-T174 HydrophobicContact CD1-CG2 4Å; I67-T174 VanDerWaalsContact CD1-OG1 3.26Å; I67-T174 WeakPolarHBondContact CD1-OG1 3.32Å
68	I	68.2	Low	71.6	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-72	-39.9	179	-52.1	178.1	0	0	0	110.9	M59 F65 Q70 E71 I72 L96	M59-I68 HydrophobicContact CG-CD1 4.23Å; M59-I68 HydrophobicContact SD-CD1 4.49Å; F65-I68 HydrophobicContact CD2-CB 4.29Å; F65-I68 HydrophobicContact CE2-CB 4.45Å; F65-I68 PolarHBondContact O-N 2.98Å; F65-I68 VanDerWaalsContact O-N 3.13Å; I68-Q70 PolarHBondContact O-N 3.26Å; I68-E71 WeakPolarHBondContact O-CB 3.43Å; I68-E71 PolarHBondContact O-N 2.88Å; I68-E71 VanDerWaalsContact O-N 3.08Å; I68-I72 PolarHBondContact O-N 2.92Å; I68-L96 HydrophobicContact CG2-CD2 3.25Å
69	Q	67.7	Low	72.1	Confident	46 Å²	46	52.7 Å²	52.7	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-51.5	-42.8	169.3	160.3	172.2	18.9	0	0	111.4	L15 F65 E71 I72 V73	L15-Q69 HydrophobicContact CD1-CB 4.15Å; L15-Q69 HydrophobicContact CD1-CG 3.61Å; L15-Q69 HydrophobicContact CD2-CG 3.92Å; L15-Q69 HydrophobicContact CG-CG 4.37Å; F65-Q69 HydrophobicContact CD1-CB 4.21Å; F65-Q69 HydrophobicContact CE1-CB 3.87Å; F65-Q69 HydrophobicContact CZ-CB 4.38Å; F65-Q69 VanDerWaalsContact O-CB 3.32Å; F65-Q69 WeakPolarHBondContact O-CB 3.19Å; F65-Q69 PolarHBondContact O-N 3.05Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-E71 PolarHBondContact O-N 2.82Å; Q69-I72 PolarHBondContact O-N 2.94Å; Q69-V73 WeakPolarHBondContact O-CG2 3.29Å; Q69-V73 PolarHBondContact O-N 2.85Å
70	Q	64.2	Low	73	Confident	100 Å²	100	54.7 Å²	54.7	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-69.5	-28.3	-178.9	-163.2	175.6	21.8	0	0	112.3	S66 I67 I68 V73 I74 I167	S66-Q70 PolarHBondContact O-N 2.87Å; S66-Q70 VanDerWaalsContact O-N 3.16Å; I67-Q70 PolarHBondContact O-N 2.99Å; I68-Q70 PolarHBondContact O-N 3.26Å; Q70-V73 PolarHBondContact O-N 3.08Å; Q70-I74 WeakPolarHBondContact O-CG1 3.34Å; Q70-I74 PolarHBondContact O-N 2.6Å; Q70-I167 HydrophobicContact CB-CD1 3.42Å; Q70-I167 VanDerWaalsContact CB-CD1 3.42Å; Q70-I167 HydrophobicContact CG-CD1 3.54Å
71	E	68.2	Low	73.9	Confident	11 Å²	11	55 Å²	55	5%	0.051	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-50	173.8	-176.3	-178.7	155.3	0	0	109.2	K55 I67 I68 Q69 V73 I74 V75 I167	K55-E71 IonicContact NZ-OE1 3.7Å; K55-E71 PolarHBondContact NZ-OE1 2.8Å; I67-E71 PolarHBondContact O-N 2.81Å; I68-E71 WeakPolarHBondContact O-CB 3.43Å; I68-E71 PolarHBondContact O-N 2.88Å; I68-E71 VanDerWaalsContact O-N 3.08Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-E71 PolarHBondContact O-N 2.82Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 2.77Å; E71-I74 PolarHBondContact O-N 3.22Å; E71-V75 VanDerWaalsContact O-CG2 3.31Å; E71-V75 WeakPolarHBondContact O-CG2 3.36Å; E71-V75 PolarHBondContact O-N 3.07Å; E71-I167 HydrophobicContact CB-CD1 4.28Å; E71-I167 HydrophobicContact CB-CG1 4.41Å
72	I	74.3	Confident	75.3	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-57.1	-45.5	176.1	-57.4	168.1	0	0	0	110.6	I17 I68 Q69 V75 K76 Y86 L96 I98	I17-I72 HydrophobicContact CD1-CD1 3.53Å; I17-I72 HydrophobicContact CG1-CD1 4.13Å; I68-I72 PolarHBondContact O-N 2.92Å; Q69-I72 PolarHBondContact O-N 2.94Å; I72-V75 PolarHBondContact O-N 2.85Å; I72-K76 WeakPolarHBondContact O-CB 3.48Å; I72-K76 PolarHBondContact O-N 3.4Å; I72-Y86 HydrophobicContact CG2-CE2 4.21Å; I72-L96 HydrophobicContact CD1-CD1 3.96Å; I72-L96 HydrophobicContact CD1-CD2 3.92Å; I72-L96 HydrophobicContact CG1-CD2 4.48Å; I72-I98 HydrophobicContact CG1-CD1 4.45Å
73	V	74.2	Confident	76.5	Confident	65 Å²	65	45.5 Å²	45.5	39%	0.394	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-44.5	178.1	171.1	0	0	0	0	112	L15 Q69 Q70 E71 S77	L15-V73 HydrophobicContact CD2-CG2 3.44Å; L15-V73 VanDerWaalsContact CD2-CG2 3.44Å; Q69-V73 WeakPolarHBondContact O-CG2 3.29Å; Q69-V73 PolarHBondContact O-N 2.85Å; Q70-V73 PolarHBondContact O-N 3.08Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 2.77Å; V73-S77 WeakPolarHBondContact O-CB 3.35Å; V73-S77 PolarHBondContact O-N 2.8Å; V73-S77 PolarHBondContact O-OG 3.3Å
74	I	71.9	Confident	77.7	Confident	28 Å²	28	43.7 Å²	43.7	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-47.8	178.7	-75.8	180	0	0	0	110.6	Q70 E71 S77 C78 K142 F165 I167	Q70-I74 WeakPolarHBondContact O-CG1 3.34Å; Q70-I74 PolarHBondContact O-N 2.6Å; E71-I74 PolarHBondContact O-N 3.22Å; I74-S77 PolarHBondContact O-OG 3.18Å; I74-C78 PolarHBondContact O-N 2.85Å; I74-C78 PolarHBondContact O-SG 3.47Å; I74-K142 HydrophobicContact CG2-CD 4.2Å; I74-K142 PolarHBondContact O-NZ 3.4Å; I74-F165 HydrophobicContact CG2-CB 4.06Å; I74-I167 HydrophobicContact CD1-CD1 3.77Å; I74-I167 HydrophobicContact CD1-CG1 3.99Å
75	V	73.1	Confident	78.9	Confident	16 Å²	16	42.2 Å²	42.2	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-74.2	-45	-173.7	-179.2	0	0	0	0	111.4	E71 I72 S77 C78 Y86 F165	E71-V75 VanDerWaalsContact O-CG2 3.31Å; E71-V75 WeakPolarHBondContact O-CG2 3.36Å; E71-V75 PolarHBondContact O-N 3.07Å; I72-V75 PolarHBondContact O-N 2.85Å; V75-S77 PolarHBondContact O-N 2.89Å; V75-S77 VanDerWaalsContact O-N 3.17Å; V75-C78 PolarHBondContact O-N 3.41Å; V75-Y86 HydrophobicContact CG1-CD2 4.13Å; V75-Y86 HydrophobicContact CG1-CG 4.5Å; V75-F165 HydrophobicContact CG2-CB 4.18Å; V75-F165 HydrophobicContact CG2-CD2 3.77Å; V75-F165 HydrophobicContact CG2-CG 4.36Å
76	K	81.5	Confident	80	Confident	70 Å²	70	43.1 Å²	43.1	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-57.7	-29.1	174.4	-176.9	-179.3	-179	-174.1	0	113.5	L15 D16 I72 Y86	L15-K76 VanDerWaalsContact C-NZ 3.35Å; L15-K76 PolarHBondContact O-NZ 3.36Å; D16-K76 IonicContact OD2-NZ 2.67Å; D16-K76 PolarHBondContact OD2-NZ 2.83Å; I72-K76 WeakPolarHBondContact O-CB 3.48Å; I72-K76 PolarHBondContact O-N 3.4Å; K76-Y86 HydrophobicContact CB-CD1 3.87Å; K76-Y86 HydrophobicContact CB-CE1 3.85Å; K76-Y86 HydrophobicContact CB-CG 4.29Å; K76-Y86 HydrophobicContact CD-CE1 4.11Å; K76-Y86 HydrophobicContact CG-CD1 3.91Å; K76-Y86 HydrophobicContact CG-CE1 3.72Å
77	S	81.9	Confident	81.2	Confident	59 Å²	59	45.5 Å²	45.5	41%	0.413	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	12.2	179	63	0	0	0	0	114.3	V73 I74 V75 K142	V73-S77 WeakPolarHBondContact O-CB 3.35Å; V73-S77 PolarHBondContact O-N 2.8Å; V73-S77 PolarHBondContact O-OG 3.3Å; I74-S77 PolarHBondContact O-OG 3.18Å; V75-S77 PolarHBondContact O-N 2.89Å; V75-S77 VanDerWaalsContact O-N 3.17Å; S77-K142 PolarHBondContact O-NZ 2.95Å; S77-K142 PolarHBondContact OG-NZ 2.8Å
78	C	85.6	Confident	82.5	Confident	7 Å²	7	45.5 Å²	45.5	5%	0.047	24%	0.235	C	C	.	.			trans	-102.2	132.9	169.2	-76.2	0	0	0	0	110.7	I74 V75 I83 Y136 L137 K142	I74-C78 PolarHBondContact O-N 2.85Å; I74-C78 PolarHBondContact O-SG 3.47Å; V75-C78 PolarHBondContact O-N 3.41Å; C78-I83 HydrophobicContact CB-CD1 4.18Å; C78-I83 HydrophobicContact CB-CG2 3.92Å; C78-Y136 HydrophobicContact CB-CE1 4.21Å; C78-L137 VanDerWaalsContact SG-CD2 3.56Å; C78-K142 PolarHBondContact SG-NZ 3.46Å
79	K	90.4	Very high	83.5	Confident	177 Å²	177	45 Å²	45	77%	0.77	23%	0.233	S	C	*	.			trans	-142.4	98.3	172.6	-65.7	-171.5	178.8	-174.7	0	109	Y136	K79-Y136 PolarHBondContact N-OH 2.92Å; K79-Y136 PolarHBondContact O-OH 3.35Å
80	H	94.8	Very high	84.6	Confident	50 Å²	50	43.9 Å²	43.9	23%	0.231	23%	0.227	C	C	.	.			trans	-155.3	141.4	-177.4	-169.5	-96.3	0	0	0	109.1	N82 I83 Y136	H80-N82 VanDerWaalsContact C-N 3.28Å; H80-N82 PolarHBondContact CE1-OD1 3.1Å; H80-N82 PolarHBondContact ND1-N 3.07Å; H80-N82 PolarHBondContact O-N 3.3Å; H80-I83 HydrophobicContact CB-CB 4.24Å; H80-I83 HydrophobicContact CB-CD1 3.97Å; H80-I83 HydrophobicContact CB-CG1 4.16Å; H80-I83 PolarHBondContact O-N 2.7Å; H80-Y136 HydrophobicContact CB-CD1 3.82Å; H80-Y136 HydrophobicContact CB-CD2 4.18Å; H80-Y136 HydrophobicContact CB-CE1 4.04Å; H80-Y136 HydrophobicContact CB-CE2 4.38Å; H80-Y136 HydrophobicContact CB-CG 3.9Å; H80-Y136 AromaticContact CD2-CD2 3.68Å; H80-Y136 AromaticContact CD2-CG 3.64Å; H80-Y136 AromaticContact CG-CG 3.83Å
81	P	95.4	Very high	85.6	Confident	86 Å²	86	40 Å²	40	56%	0.558	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.4	-175.9	20.5	-33.7	0	0	0	113.8	I83 K161	P81-I83 VanDerWaalsContact C-N 3.26Å; P81-I83 PolarHBondContact O-N 3.3Å; P81-K161 VanDerWaalsContact O-CD 3.26Å; P81-K161 WeakPolarHBondContact O-CD 3.37Å; P81-K161 WeakPolarHBondContact O-CE 3.37Å; P81-K161 PolarHBondContact O-NZ 3.23Å; P81-K161 VanDerWaalsContact O-NZ 3.11Å
82	N	96.3	Very high	86.4	Confident	9 Å²	9	45.8 Å²	45.8	5%	0.048	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	21.1	178.7	-44.8	99.2	0	0	0	114.3	H80 E129 V160 L162	H80-N82 VanDerWaalsContact C-N 3.28Å; H80-N82 PolarHBondContact CE1-OD1 3.1Å; H80-N82 PolarHBondContact ND1-N 3.07Å; H80-N82 PolarHBondContact O-N 3.3Å; N82-E129 WeakPolarHBondContact CB-O 3.15Å; N82-E129 WeakPolarHBondContact ND2-CB 3.14Å; N82-E129 PolarHBondContact ND2-OE2 2.98Å; N82-V160 VanDerWaalsContact CA-O 3.3Å; N82-V160 WeakPolarHBondContact CA-O 3.07Å; N82-V160 WeakPolarHBondContact CB-O 3.42Å; N82-V160 PolarHBondContact ND2-O 2.87Å; N82-L162 WeakPolarHBondContact O-CG 3.42Å; N82-L162 PolarHBondContact O-N 3.1Å
83	I	93.3	Very high	86.9	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-126.3	131.7	175.4	-73.3	179.3	0	0	0	108	C78 H80 P81 A85 Y136 L137 L162 F165	C78-I83 HydrophobicContact CB-CD1 4.18Å; C78-I83 HydrophobicContact CB-CG2 3.92Å; H80-I83 HydrophobicContact CB-CB 4.24Å; H80-I83 HydrophobicContact CB-CD1 3.97Å; H80-I83 HydrophobicContact CB-CG1 4.16Å; H80-I83 PolarHBondContact O-N 2.7Å; P81-I83 VanDerWaalsContact C-N 3.26Å; P81-I83 PolarHBondContact O-N 3.3Å; I83-A85 PolarHBondContact O-N 2.96Å; I83-Y136 HydrophobicContact CD1-CD1 3.63Å; I83-Y136 HydrophobicContact CD1-CE1 3.94Å; I83-L137 HydrophobicContact CD1-CD1 4.45Å; I83-L137 HydrophobicContact CD1-CD2 4Å; I83-L137 HydrophobicContact CD1-CG 4Å; I83-L162 HydrophobicContact CG1-CB 4.44Å; I83-F165 HydrophobicContact CB-CZ 4.06Å; I83-F165 HydrophobicContact CD1-CE1 4.32Å; I83-F165 HydrophobicContact CD1-CZ 4.33Å; I83-F165 HydrophobicContact CG1-CE1 4.17Å; I83-F165 HydrophobicContact CG1-CZ 3.85Å; I83-F165 HydrophobicContact CG2-CE1 4.44Å; I83-F165 HydrophobicContact CG2-CE2 3.83Å; I83-F165 HydrophobicContact CG2-CZ 3.51Å
84	V	91.9	Very high	87.2	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.03	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-52.2	121.2	173.2	164.9	0	0	0	0	110.1	M100 E101 L153 K161 L162 A163	V84-M100 HydrophobicContact CG1-CB 3.71Å; V84-M100 HydrophobicContact CG1-CG 3.81Å; V84-M100 HydrophobicContact CG1-SD 3.89Å; V84-E101 HydrophobicContact CG1-CB 4.14Å; V84-L153 HydrophobicContact CG2-CD1 4.09Å; V84-K161 HydrophobicContact CG2-CB 3.71Å; V84-L162 WeakPolarHBondContact CG2-O 3.43Å; V84-L162 PolarHBondContact N-O 2.61Å; V84-A163 HydrophobicContact CG2-CB 3.93Å
85	A	91.4	Very high	87.9	Confident	38 Å²	38	52.4 Å²	52.4	31%	0.314	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69.8	140.3	-179.4	0	0	0	0	0	112.7	I83 Y87 M100 E101	I83-A85 PolarHBondContact O-N 2.96Å; A85-Y87 HydrophobicContact CB-CE1 4.15Å; A85-M100 CarbonylContact O-C 3.57Å; A85-M100 WeakPolarHBondContact O-CA 3.25Å; A85-M100 WeakPolarHBondContact O-CB 3.23Å; A85-E101 HydrophobicContact CB-CB 4.12Å; A85-E101 PolarHBondContact N-OE2 2.71Å; A85-E101 PolarHBondContact O-N 3.03Å
86	Y	89.6	Confident	88.5	Confident	44 Å²	44	51.7 Å²	51.7	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.2	174	179.6	-101.1	0	0	0	111.4	I72 V75 K76 G88 S89 I98	I72-Y86 HydrophobicContact CG2-CE2 4.21Å; V75-Y86 HydrophobicContact CG1-CD2 4.13Å; V75-Y86 HydrophobicContact CG1-CG 4.5Å; K76-Y86 HydrophobicContact CB-CD1 3.87Å; K76-Y86 HydrophobicContact CB-CE1 3.85Å; K76-Y86 HydrophobicContact CB-CG 4.29Å; K76-Y86 HydrophobicContact CD-CE1 4.11Å; K76-Y86 HydrophobicContact CG-CD1 3.91Å; K76-Y86 HydrophobicContact CG-CE1 3.72Å; Y86-G88 WeakPolarHBondContact CE2-O 3.47Å; Y86-G88 VanDerWaalsContact CZ-C 3.43Å; Y86-G88 VanDerWaalsContact CZ-CA 3.5Å; Y86-G88 VanDerWaalsContact OH-C 3.25Å; Y86-S89 PolarHBondContact OH-N 2.91Å; Y86-S89 PolarHBondContact OH-OG 3.38Å; Y86-I98 HydrophobicContact CD2-CG2 4.34Å; Y86-I98 HydrophobicContact CE2-CG2 4.15Å
87	Y	90	Very high	88.9	Confident	111 Å²	111	50 Å²	50	44%	0.435	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-33.6	175.8	-58.2	-29.8	0	0	0	113.1	A52 A85 C99 M100 E101	A52-Y87 HydrophobicContact CB-CD2 3.99Å; A52-Y87 HydrophobicContact CB-CE2 4.07Å; A85-Y87 HydrophobicContact CB-CE1 4.15Å; Y87-C99 PolarHBondContact N-O 3.32Å; Y87-M100 VanDerWaalsContact CE2-C 3.44Å; Y87-M100 WeakPolarHBondContact CE2-O 3.39Å; Y87-E101 WeakPolarHBondContact OH-CA 3.37Å
88	G	89	Confident	89.2	Confident	14 Å²	14	47.5 Å²	47.5	14%	0.144	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	177.8	-179.9	0	0	0	0	0	113.3	Y86 C99	Y86-G88 WeakPolarHBondContact CE2-O 3.47Å; Y86-G88 VanDerWaalsContact CZ-C 3.43Å; Y86-G88 VanDerWaalsContact CZ-CA 3.5Å; Y86-G88 VanDerWaalsContact OH-C 3.25Å; G88-C99 PolarHBondContact N-O 2.88Å; G88-C99 PolarHBondContact O-N 2.88Å
89	S	89.4	Confident	89.4	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.3	169.7	53.8	0	0	0	0	112.7	S18 Y86 W97	S18-S89 PolarHBondContact N-O 3.13Å; Y86-S89 PolarHBondContact OH-N 2.91Å; Y86-S89 PolarHBondContact OH-OG 3.38Å; S89-W97 CarbonylContact C-O 3.54Å; S89-W97 WeakPolarHBondContact CA-O 3.37Å; S89-W97 WeakPolarHBondContact CB-O 3.5Å
90	Y	90.1	Very high	89.5	Confident	22 Å²	22	40 Å²	40	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.2	-174	-56.6	-111.5	0	0	0	110.6	S18 P22 D25 F26 L96 W97	S18-Y90 VanDerWaalsContact CB-CD1 3.48Å; S18-Y90 CarbonylContact O-C 3.58Å; S18-Y90 WeakPolarHBondContact O-CA 3.1Å; S18-Y90 WeakPolarHBondContact OG-CD1 3.09Å; P22-Y90 HydrophobicContact CB-CD1 3.97Å; P22-Y90 HydrophobicContact CB-CD2 3.95Å; P22-Y90 HydrophobicContact CB-CE1 4.41Å; P22-Y90 HydrophobicContact CB-CE2 4.42Å; P22-Y90 HydrophobicContact CB-CG 3.74Å; P22-Y90 HydrophobicContact CG-CG 4.46Å; D25-Y90 WeakPolarHBondContact CB-OH 3.32Å; D25-Y90 VanDerWaalsContact CG-OH 3.31Å; D25-Y90 WeakPolarHBondContact OD2-CE1 3.39Å; D25-Y90 PolarHBondContact OD2-OH 3.44Å; F26-Y90 HydrophobicContact CD2-CE2 4.45Å; F26-Y90 HydrophobicContact CE2-CE2 4.05Å; Y90-L96 WeakPolarHBondContact O-CA 3.47Å; Y90-W97 PolarHBondContact N-O 2.9Å; Y90-W97 PolarHBondContact O-N 3.46Å
91	I	86.2	Confident	89.4	Confident	20 Å²	20	38.9 Å²	38.9	10%	0.103	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.2	175.1	-174	165.9	0	0	0	111	M7 I17 S18 T19 M59	M7-I91 HydrophobicContact CE-CD1 3.28Å; M7-I91 HydrophobicContact SD-CD1 3.99Å; I17-I91 HydrophobicContact CG2-CB 3.9Å; I17-I91 HydrophobicContact CG2-CG2 3.65Å; S18-I91 PolarHBondContact O-N 2.96Å; T19-I91 HydrophobicContact CG2-CG2 4.07Å; M59-I91 HydrophobicContact CE-CD1 3.7Å; M59-I91 HydrophobicContact CE-CG1 3.91Å
92	R	83.9	Confident	89.3	Confident	131 Å²	131	36.3 Å²	36.3	49%	0.494	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.2	-179.5	-162.5	173.2	-172	-134.1	-0.7	110.7	N21 N94 K95	N21-R92 PolarHBondContact OD1-NH1 2.77Å; R92-N94 PolarHBondContact O-N 3.24Å; R92-K95 PolarHBondContact N-O 2.61Å; R92-K95 PolarHBondContact O-N 2.91Å
93	A	84	Confident	89.2	Confident	92 Å²	92	36.4 Å²	36.4	76%	0.76	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	51.9	175.6	0	0	0	0	0	114.5	K95	A93-K95 PolarHBondContact O-N 2.81Å; A93-K95 VanDerWaalsContact O-N 3.1Å
94	N	82.4	Confident	89	Confident	55 Å²	55	37.3 Å²	37.3	29%	0.294	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	26.1	-176.4	-68.5	20.4	0	0	0	114.8	M59 R92	M59-N94 PolarHBondContact N-O 2.89Å; R92-N94 PolarHBondContact O-N 3.24Å
95	K	85.9	Confident	88.8	Confident	87 Å²	87	37.1 Å²	37.1	38%	0.378	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134	169.4	-64.2	-177.8	178	-170.1	0	110.4	V56 I57 R92 A93 W97	V56-K95 HydrophobicContact CG1-CB 4.27Å; V56-K95 HydrophobicContact CG1-CD 3.91Å; V56-K95 HydrophobicContact CG1-CG 4.45Å; I57-K95 CarbonylContact O-C 3.59Å; I57-K95 VanDerWaalsContact O-CA 3.3Å; I57-K95 WeakPolarHBondContact O-CA 3.2Å; R92-K95 PolarHBondContact N-O 2.61Å; R92-K95 PolarHBondContact O-N 2.91Å; A93-K95 PolarHBondContact O-N 2.81Å; A93-K95 VanDerWaalsContact O-N 3.1Å; K95-W97 HydrophobicContact CD-CZ2 4.38Å
96	L	85.6	Confident	88.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.3	164.2	173.5	68.4	0	0	0	108.5	I17 V56 I57 M59 I68 I72 Y90 I98	I17-L96 HydrophobicContact CG2-CD1 4.46Å; V56-L96 WeakPolarHBondContact CA-O 3.35Å; I57-L96 HydrophobicContact CB-CB 4.4Å; I57-L96 HydrophobicContact CD1-CD2 4.38Å; I57-L96 PolarHBondContact N-O 2.85Å; I57-L96 PolarHBondContact O-N 2.93Å; M59-L96 HydrophobicContact CE-CB 4.11Å; M59-L96 HydrophobicContact SD-CB 4.04Å; I68-L96 HydrophobicContact CG2-CD2 3.25Å; I72-L96 HydrophobicContact CD1-CD1 3.96Å; I72-L96 HydrophobicContact CD1-CD2 3.92Å; I72-L96 HydrophobicContact CG1-CD2 4.48Å; Y90-L96 WeakPolarHBondContact O-CA 3.47Å; L96-I98 HydrophobicContact CD2-CD1 4.07Å; L96-I98 HydrophobicContact CD2-CG1 4.05Å; L96-I98 HydrophobicContact CG-CG1 4.06Å
97	W	89.4	Confident	88.9	Confident	36 Å²	36	34.8 Å²	34.8	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.4	178.7	-55.7	63.8	0	0	0	107.4	P22 I28 I54 K55 V56 S89 Y90 K95	P22-W97 HydrophobicContact CB-CD2 4.2Å; P22-W97 HydrophobicContact CB-CE3 4.09Å; P22-W97 HydrophobicContact CB-CG 4.4Å; P22-W97 HydrophobicContact CG-CD2 3.5Å; P22-W97 VanDerWaalsContact CG-CD2 3.5Å; P22-W97 HydrophobicContact CG-CE3 3.68Å; P22-W97 HydrophobicContact CG-CG 3.86Å; P22-W97 HydrophobicContact CG-CH2 4.4Å; P22-W97 HydrophobicContact CG-CZ2 4.21Å; P22-W97 HydrophobicContact CG-CZ3 4.14Å; I28-W97 HydrophobicContact CD1-CZ3 4.27Å; I54-W97 HydrophobicContact CG2-CB 4.37Å; I54-W97 HydrophobicContact CG2-CE3 3.75Å; I54-W97 HydrophobicContact CG2-CZ3 4.49Å; K55-W97 CarbonylContact O-C 3.51Å; K55-W97 WeakPolarHBondContact O-CA 3.29Å; V56-W97 HydrophobicContact CG1-CD2 4.21Å; V56-W97 HydrophobicContact CG1-CZ2 4.29Å; V56-W97 HydrophobicContact CG2-CD2 3.88Å; V56-W97 HydrophobicContact CG2-CE3 3.54Å; V56-W97 HydrophobicContact CG2-CG 4.5Å; V56-W97 HydrophobicContact CG2-CH2 4.38Å; V56-W97 HydrophobicContact CG2-CZ3 3.81Å; S89-W97 CarbonylContact C-O 3.54Å; S89-W97 WeakPolarHBondContact CA-O 3.37Å; S89-W97 WeakPolarHBondContact CB-O 3.5Å; Y90-W97 PolarHBondContact N-O 2.9Å; Y90-W97 PolarHBondContact O-N 3.46Å; K95-W97 HydrophobicContact CD-CZ2 4.38Å
98	I	87.6	Confident	89	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.7	177.5	-50.1	179.7	0	0	0	108.1	I54 K55 I57 I72 Y86 L96 M100	I54-I98 WeakPolarHBondContact CA-O 3.12Å; K55-I98 HydrophobicContact CB-CB 4.39Å; K55-I98 PolarHBondContact N-O 3.13Å; K55-I98 PolarHBondContact O-N 3.37Å; I57-I98 HydrophobicContact CD1-CD1 4.05Å; I72-I98 HydrophobicContact CG1-CD1 4.45Å; Y86-I98 HydrophobicContact CD2-CG2 4.34Å; Y86-I98 HydrophobicContact CE2-CG2 4.15Å; L96-I98 HydrophobicContact CD2-CD1 4.07Å; L96-I98 HydrophobicContact CD2-CG1 4.05Å; L96-I98 HydrophobicContact CG-CG1 4.06Å; I98-M100 HydrophobicContact CB-CE 4.06Å; I98-M100 HydrophobicContact CG2-CE 3.81Å
99	C	91.4	Very high	89.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.7	-176.4	-57.1	0	0	0	0	110	F26 A53 I54 Y87 G88	F26-C99 HydrophobicContact CE2-CB 4.22Å; F26-C99 HydrophobicContact CZ-CB 4.04Å; A53-C99 WeakPolarHBondContact O-CA 3.48Å; I54-C99 HydrophobicContact CG1-CB 4.42Å; Y87-C99 PolarHBondContact N-O 3.32Å; G88-C99 PolarHBondContact N-O 2.88Å; G88-C99 PolarHBondContact O-N 2.88Å
100	M	91.4	Very high	88.9	Confident	27 Å²	27	35.4 Å²	35.4	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	171.6	-169.5	71.1	-169.8	74	0	0	112.8	A52 A53 K55 V84 A85 Y87 I98 F102	A52-M100 CarbonylContact C-O 3.55Å; A52-M100 WeakPolarHBondContact CA-O 3.3Å; A53-M100 HydrophobicContact CB-CG 3.8Å; A53-M100 PolarHBondContact N-O 3.5Å; A53-M100 PolarHBondContact O-N 3.3Å; K55-M100 HydrophobicContact CB-CE 3.71Å; K55-M100 HydrophobicContact CD-CE 4.24Å; V84-M100 HydrophobicContact CG1-CB 3.71Å; V84-M100 HydrophobicContact CG1-CG 3.81Å; V84-M100 HydrophobicContact CG1-SD 3.89Å; A85-M100 CarbonylContact O-C 3.57Å; A85-M100 WeakPolarHBondContact O-CA 3.25Å; A85-M100 WeakPolarHBondContact O-CB 3.23Å; Y87-M100 VanDerWaalsContact CE2-C 3.44Å; Y87-M100 WeakPolarHBondContact CE2-O 3.39Å; I98-M100 HydrophobicContact CB-CE 4.06Å; I98-M100 HydrophobicContact CG2-CE 3.81Å; M100-F102 PolarHBondContact O-N 2.8Å
101	E	92.9	Very high	88.8	Confident	27 Å²	27	34.4 Å²	34.4	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	130.4	178.5	-175.8	-178	173.5	0	0	113.2	V84 A85 Y87 C103 K161	V84-E101 HydrophobicContact CG1-CB 4.14Å; A85-E101 HydrophobicContact CB-CB 4.12Å; A85-E101 PolarHBondContact N-OE2 2.71Å; A85-E101 PolarHBondContact O-N 3.03Å; Y87-E101 WeakPolarHBondContact OH-CA 3.37Å; E101-C103 PolarHBondContact O-N 3.24Å; E101-K161 WeakPolarHBondContact OE1-CE 3.2Å; E101-K161 IonicContact OE1-NZ 2.68Å; E101-K161 PolarHBondContact OE1-NZ 2.87Å; E101-K161 IonicContact OE2-NZ 2.65Å
102	F	93.9	Very high	88.8	Confident	32 Å²	32	33.6 Å²	33.6	14%	0.14	18%	0.184	C	C	.	.			trans	-82.9	105.5	178.1	-176.2	-103.1	0	0	0	112.4	V32 K42 L51 A53 M100 G104	V32-F102 HydrophobicContact CG1-CE2 4.23Å; K42-F102 HydrophobicContact CB-CD2 4.27Å; K42-F102 HydrophobicContact CB-CE2 3.77Å; K42-F102 HydrophobicContact CB-CZ 4.37Å; K42-F102 HydrophobicContact CD-CD2 4.44Å; K42-F102 HydrophobicContact CD-CE1 3.99Å; K42-F102 HydrophobicContact CD-CE2 3.77Å; K42-F102 HydrophobicContact CD-CZ 3.52Å; K42-F102 HydrophobicContact CG-CD2 3.94Å; K42-F102 HydrophobicContact CG-CE1 4.47Å; K42-F102 HydrophobicContact CG-CE2 3.61Å; K42-F102 HydrophobicContact CG-CZ 3.92Å; L51-F102 HydrophobicContact CB-CB 3.83Å; L51-F102 HydrophobicContact CB-CD1 4.01Å; L51-F102 HydrophobicContact CB-CG 4.06Å; L51-F102 HydrophobicContact CD1-CD1 4.03Å; L51-F102 HydrophobicContact CD1-CE1 4.43Å; L51-F102 WeakPolarHBondContact O-CB 3.39Å; A53-F102 HydrophobicContact CB-CD2 4.3Å; M100-F102 PolarHBondContact O-N 2.8Å; F102-G104 PolarHBondContact O-N 3.29Å
103	C	93.6	Very high	88.7	Confident	11 Å²	11	31.1 Å²	31.1	7%	0.074	18%	0.178	C	C	.	.			trans	-85.6	89.1	175.8	-63.2	0	0	0	0	111.3	E101 G105 G106 L153 L154	E101-C103 PolarHBondContact O-N 3.24Å; C103-G105 PolarHBondContact O-N 2.95Å; C103-G105 VanDerWaalsContact O-N 3.16Å; C103-G106 PolarHBondContact O-N 3.23Å; C103-L153 HydrophobicContact CB-CB 3.58Å; C103-L153 HydrophobicContact CB-CD1 3.85Å; C103-L153 HydrophobicContact CB-CG 4.36Å; C103-L154 CarbonylContact C-O 3.58Å; C103-L154 VanDerWaalsContact C-O 3.27Å; C103-L154 WeakPolarHBondContact CB-O 3.42Å
104	G	88	Confident	88.4	Confident	24 Å²	24	29.2 Å²	29.2	25%	0.247	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.9	-171.8	0	0	0	0	0	117.5	F102 D156	F102-G104 PolarHBondContact O-N 3.29Å; G104-D156 WeakPolarHBondContact CA-OD2 3.45Å
105	G	87.8	Confident	88.5	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.01	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.5	169.6	0	0	0	0	0	114.3	C103 I111 L154	C103-G105 PolarHBondContact O-N 2.95Å; C103-G105 VanDerWaalsContact O-N 3.16Å; G105-I111 WeakPolarHBondContact O-CD1 3.31Å; G105-I111 WeakPolarHBondContact O-CG1 3.44Å; G105-L154 VanDerWaalsContact CA-O 3.26Å; G105-L154 WeakPolarHBondContact CA-O 3.42Å; G105-L154 PolarHBondContact N-O 3.45Å
106	G	91.1	Very high	88.5	Confident	25 Å²	25	24.8 Å²	24.8	26%	0.258	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.8	-161.8	-170.7	0	0	0	0	0	112.5	C103 L153 L154	C103-G106 PolarHBondContact O-N 3.23Å; G106-L153 WeakPolarHBondContact O-CA 3.39Å; G106-L154 PolarHBondContact O-N 2.86Å
107	S	92.1	Very high	88.7	Confident	8 Å²	8	26.6 Å²	26.6	6%	0.056	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	157.1	174.1	73.9	0	0	0	0	111.8	Q109 D110 I111 A150 I152	S107-Q109 PolarHBondContact O-N 3.39Å; S107-Q109 PolarHBondContact OG-N 2.85Å; S107-D110 VanDerWaalsContact CB-OD2 3.3Å; S107-D110 WeakPolarHBondContact CB-OD2 3.1Å; S107-D110 PolarHBondContact N-OD2 3.4Å; S107-D110 PolarHBondContact O-N 2.68Å; S107-D110 VanDerWaalsContact O-N 3.13Å; S107-D110 PolarHBondContact OG-N 2.82Å; S107-D110 PolarHBondContact OG-OD2 2.71Å; S107-I111 WeakPolarHBondContact O-CG1 3.34Å; S107-I111 PolarHBondContact O-N 2.85Å; S107-I111 VanDerWaalsContact O-N 3.1Å; S107-A150 VanDerWaalsContact CB-O 3.22Å; S107-A150 WeakPolarHBondContact CB-O 3.45Å; S107-I152 CarbonylContact C-O 3.59Å; S107-I152 WeakPolarHBondContact CA-O 3.46Å
108	L	93.6	Very high	89	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-26.9	170	-70.8	-179.1	0	0	0	111.8	I111 Y112 V126 G149 I152 L154 L217 L296	L108-I111 HydrophobicContact CD2-CD1 4.33Å; L108-I111 PolarHBondContact O-N 2.83Å; L108-Y112 WeakPolarHBondContact O-CB 3.38Å; L108-Y112 WeakPolarHBondContact O-CD1 3.46Å; L108-Y112 PolarHBondContact O-N 2.97Å; L108-V126 HydrophobicContact CD1-CB 4.4Å; L108-V126 HydrophobicContact CD1-CG1 3.45Å; L108-V126 VanDerWaalsContact CD1-CG1 3.45Å; L108-V126 HydrophobicContact CD1-CG2 4.01Å; L108-V126 HydrophobicContact CD2-CG2 4.47Å; L108-G149 PolarHBondContact N-O 2.86Å; L108-I152 HydrophobicContact CD1-CB 3.87Å; L108-I152 HydrophobicContact CD1-CG2 3.59Å; L108-I152 HydrophobicContact CG-CB 4.23Å; L108-I152 HydrophobicContact CG-CG2 4.17Å; L108-I152 PolarHBondContact N-O 3Å; L108-L154 HydrophobicContact CD2-CD1 3.95Å; L108-L154 HydrophobicContact CD2-CD2 4.08Å; L108-L154 HydrophobicContact CD2-CG 3.83Å; L108-L217 HydrophobicContact CB-CD2 4.01Å; L108-L217 HydrophobicContact CD1-CD1 4.21Å; L108-L217 HydrophobicContact CD1-CD2 4.11Å; L108-L296 HydrophobicContact CD2-CD2 4.45Å
109	Q	89.7	Confident	89.4	Confident	55 Å²	55	27.2 Å²	27.2	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-67.4	-44.4	173.2	-176.3	160.9	105.3	0	0	112.7	S107 I111 Y112 H113 G149 A150 E216	S107-Q109 PolarHBondContact O-N 3.39Å; S107-Q109 PolarHBondContact OG-N 2.85Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 3.12Å; Q109-Y112 HydrophobicContact CB-CE1 3.99Å; Q109-Y112 HydrophobicContact CG-CE1 4.19Å; Q109-Y112 HydrophobicContact CG-CE2 4.31Å; Q109-Y112 PolarHBondContact NE2-OH 3.49Å; Q109-Y112 VanDerWaalsContact NE2-OH 3.08Å; Q109-H113 PolarHBondContact O-N 3.02Å; Q109-H113 PolarHBondContact O-ND1 2.88Å; Q109-G149 PolarHBondContact N-O 3.18Å; Q109-G149 VanDerWaalsContact N-O 3.13Å; Q109-A150 HydrophobicContact CB-CB 4.21Å; Q109-E216 PolarHBondContact NE2-OE1 2.89Å
110	D	85.3	Confident	89.6	Confident	86 Å²	86	28.9 Å²	28.9	46%	0.46	17%	0.171	S	C	.	.	H	α-helix	trans	-59.4	-43.6	173.9	-56.9	-59.9	0	0	0	110.5	S107 F300	S107-D110 VanDerWaalsContact CB-OD2 3.3Å; S107-D110 WeakPolarHBondContact CB-OD2 3.1Å; S107-D110 PolarHBondContact N-OD2 3.4Å; S107-D110 PolarHBondContact O-N 2.68Å; S107-D110 VanDerWaalsContact O-N 3.13Å; S107-D110 PolarHBondContact OG-N 2.82Å; S107-D110 PolarHBondContact OG-OD2 2.71Å; D110-F300 WeakPolarHBondContact O-CE2 3.32Å
111	I	88	Confident	89.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-53.9	-178.3	-66.2	165.8	0	0	0	111.3	G105 S107 L108 Q109 H113 V114 T115 L154 L296 L297 F300	G105-I111 WeakPolarHBondContact O-CD1 3.31Å; G105-I111 WeakPolarHBondContact O-CG1 3.44Å; S107-I111 WeakPolarHBondContact O-CG1 3.34Å; S107-I111 PolarHBondContact O-N 2.85Å; S107-I111 VanDerWaalsContact O-N 3.1Å; L108-I111 HydrophobicContact CD2-CD1 4.33Å; L108-I111 PolarHBondContact O-N 2.83Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 3.12Å; I111-H113 VanDerWaalsContact C-N 3.26Å; I111-H113 PolarHBondContact O-N 2.88Å; I111-V114 PolarHBondContact O-N 2.94Å; I111-T115 HydrophobicContact CG2-CG2 4.01Å; I111-T115 PolarHBondContact O-N 2.98Å; I111-T115 PolarHBondContact O-OG1 2.95Å; I111-L154 HydrophobicContact CD1-CB 4.29Å; I111-L154 HydrophobicContact CD1-CD1 3.7Å; I111-L154 HydrophobicContact CD1-CG 4Å; I111-L296 HydrophobicContact CG2-CD1 4.33Å; I111-L296 HydrophobicContact CG2-CD2 3.66Å; I111-L296 HydrophobicContact CG2-CG 3.6Å; I111-L297 HydrophobicContact CD1-CD2 3.93Å; I111-F300 HydrophobicContact CB-CD2 4.24Å; I111-F300 HydrophobicContact CG1-CD1 4.39Å; I111-F300 HydrophobicContact CG1-CD2 4.09Å; I111-F300 HydrophobicContact CG1-CE2 4.3Å; I111-F300 HydrophobicContact CG1-CG 4.14Å; I111-F300 HydrophobicContact CG2-CB 4.4Å; I111-F300 HydrophobicContact CG2-CD2 4.41Å
112	Y	87.8	Confident	90	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-26.5	-173.4	75.1	-130	0	0	0	113.3	L108 Q109 V114 G116 E216 L217 L220	L108-Y112 WeakPolarHBondContact O-CB 3.38Å; L108-Y112 WeakPolarHBondContact O-CD1 3.46Å; L108-Y112 PolarHBondContact O-N 2.97Å; Q109-Y112 HydrophobicContact CB-CE1 3.99Å; Q109-Y112 HydrophobicContact CG-CE1 4.19Å; Q109-Y112 HydrophobicContact CG-CE2 4.31Å; Q109-Y112 PolarHBondContact NE2-OH 3.49Å; Q109-Y112 VanDerWaalsContact NE2-OH 3.08Å; Y112-V114 PolarHBondContact O-N 2.95Å; Y112-G116 VanDerWaalsContact O-CA 3.27Å; Y112-G116 WeakPolarHBondContact O-CA 3.21Å; Y112-G116 PolarHBondContact O-N 3.06Å; Y112-E216 HydrophobicContact CE1-CG 3.76Å; Y112-E216 WeakPolarHBondContact OH-CG 3.44Å; Y112-E216 PolarHBondContact OH-OE1 3.01Å; Y112-E216 VanDerWaalsContact OH-OE1 3.12Å; Y112-L217 HydrophobicContact CD1-CD2 3.81Å; Y112-L217 HydrophobicContact CE1-CD2 4.28Å; Y112-L220 HydrophobicContact CD2-CB 4.35Å; Y112-L220 HydrophobicContact CD2-CD2 3.27Å; Y112-L220 HydrophobicContact CD2-CG 4.42Å; Y112-L220 HydrophobicContact CE2-CB 4.35Å; Y112-L220 HydrophobicContact CE2-CD2 4.08Å; Y112-L220 WeakPolarHBondContact CE2-O 3.48Å; Y112-L220 HydrophobicContact CG-CD2 3.68Å; Y112-L220 WeakPolarHBondContact O-CD2 3.21Å
113	H	80.3	Confident	90.2	Very high	79 Å²	79	27.6 Å²	27.6	37%	0.366	17%	0.169	S	C	.	.	H	α-helix	trans	-66.1	-26.1	174.3	-80.4	104.4	0	0	0	112.5	Q109 I111	Q109-H113 PolarHBondContact O-N 3.02Å; Q109-H113 PolarHBondContact O-ND1 2.88Å; I111-H113 VanDerWaalsContact C-N 3.26Å; I111-H113 PolarHBondContact O-N 2.88Å
114	V	78.7	Confident	90.4	Very high	51 Å²	51	27 Å²	27	31%	0.309	17%	0.166	S	C	.	.	H	α-helix	trans	-94.2	-44.8	177.1	175	0	0	0	0	111.8	I111 Y112 F300 P303 S622	I111-V114 PolarHBondContact O-N 2.94Å; Y112-V114 PolarHBondContact O-N 2.95Å; V114-F300 HydrophobicContact CB-CD2 3.78Å; V114-F300 HydrophobicContact CB-CE2 3.96Å; V114-F300 HydrophobicContact CG1-CD2 4.06Å; V114-F300 HydrophobicContact CG1-CE2 4.49Å; V114-F300 HydrophobicContact CG2-CD2 4.1Å; V114-F300 HydrophobicContact CG2-CE2 3.74Å; V114-P303 HydrophobicContact CG1-CB 4.22Å; V114-S622 PolarHBondContact O-OG 3.33Å
115	T	84.2	Confident	90.9	Very high	40 Å²	40	26.4 Å²	26.4	25%	0.245	16%	0.156	C	C	.	.	H	α-helix	trans	-83.4	-18	-175.4	63	0	0	0	0	114.3	I111 L296 K299 F300	I111-T115 HydrophobicContact CG2-CG2 4.01Å; I111-T115 PolarHBondContact O-N 2.98Å; I111-T115 PolarHBondContact O-OG1 2.95Å; T115-L296 HydrophobicContact CG2-CD1 4.17Å; T115-K299 HydrophobicContact CG2-CB 3.89Å; T115-F300 HydrophobicContact CG2-CB 4.05Å
116	G	86.3	Confident	91.4	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	16%	0.156	C	C	.	.			trans	75.3	-171.1	-165.7	0	0	0	0	0	112.9	Y112 L118	Y112-G116 VanDerWaalsContact O-CA 3.27Å; Y112-G116 WeakPolarHBondContact O-CA 3.21Å; Y112-G116 PolarHBondContact O-N 3.06Å; G116-L118 PolarHBondContact O-N 3.45Å
117	S	89.8	Confident	91.7	Very high	39 Å²	39	25.2 Å²	25.2	27%	0.273	14%	0.143	S	C	.	.	S	Bend	trans	-63	131.8	-170.3	57.6	0	0	0	0	111.9	A218	S117-A218 WeakPolarHBondContact CB-O 3.49Å
118	L	95.3	Very high	92	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-63.6	152.3	-179.7	-80.5	65.1	0	0	0	111.4	G116 Q122 I123 L217 L296	G116-L118 PolarHBondContact O-N 3.45Å; L118-Q122 HydrophobicContact CB-CB 4.16Å; L118-Q122 HydrophobicContact CD2-CB 4.26Å; L118-Q122 HydrophobicContact CG-CB 4.39Å; L118-I123 HydrophobicContact CB-CD1 4.21Å; L118-I123 HydrophobicContact CB-CG1 3.69Å; L118-L217 HydrophobicContact CD1-CD2 4.35Å; L118-L217 HydrophobicContact CD2-CB 4.33Å; L118-L217 HydrophobicContact CD2-CD1 4.31Å; L118-L217 HydrophobicContact CD2-CD2 4.15Å; L118-L217 HydrophobicContact CD2-CG 4.49Å; L118-L217 PolarHBondContact N-O 3.22Å; L118-L296 HydrophobicContact CD1-CD1 4.31Å; L118-L296 HydrophobicContact CD1-CD2 4.15Å; L118-L296 HydrophobicContact CD2-CD2 3.79Å; L118-L296 HydrophobicContact CG-CD1 4.06Å; L118-L296 HydrophobicContact CG-CD2 3.81Å
119	S	95.1	Very high	92.2	Very high	50 Å²	50	28.3 Å²	28.3	35%	0.35	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-71.8	156.3	171.4	67.4	0	0	0	0	111.6	Q122 I123	S119-Q122 WeakPolarHBondContact O-CB 3.32Å; S119-Q122 PolarHBondContact O-N 2.7Å; S119-Q122 WeakPolarHBondContact OG-CG 3.4Å; S119-Q122 PolarHBondContact OG-OE1 2.79Å; S119-I123 WeakPolarHBondContact O-CG1 3.02Å; S119-I123 PolarHBondContact O-N 3Å
120	E	95.8	Very high	92.6	Very high	35 Å²	35	25.7 Å²	25.7	16%	0.164	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-40.2	-178.6	-174.3	172.6	136.5	0	0	113.6	I123 A124 W252 S253 F256 F282	E120-I123 PolarHBondContact O-N 3.2Å; E120-A124 WeakPolarHBondContact O-CB 3.28Å; E120-A124 PolarHBondContact O-N 3.35Å; E120-W252 HydrophobicContact CB-CE3 4.25Å; E120-W252 HydrophobicContact CB-CZ3 4.22Å; E120-S253 WeakPolarHBondContact OE1-CB 3.38Å; E120-S253 PolarHBondContact OE1-OG 3.45Å; E120-S253 PolarHBondContact OE2-N 2.89Å; E120-F256 VanDerWaalsContact CD-CB 3.48Å; E120-F256 HydrophobicContact CG-CB 4Å; E120-F256 HydrophobicContact CG-CD1 4Å; E120-F256 HydrophobicContact CG-CG 4.12Å; E120-F256 WeakPolarHBondContact OE1-CB 3.43Å; E120-F282 HydrophobicContact CG-CE2 3.56Å; E120-F282 HydrophobicContact CG-CZ 4.05Å
121	P	96.8	Very high	93.2	Very high	49 Å²	49	21.6 Å²	21.6	32%	0.318	12%	0.121	S	C	.	.	H	α-helix	trans	-66.3	-36.6	172.5	-22.9	35.6	0	0	0	114	A124 Y125 L288 L292	P121-A124 WeakPolarHBondContact O-CB 3.26Å; P121-A124 PolarHBondContact O-N 2.78Å; P121-Y125 PolarHBondContact O-N 3.37Å; P121-L288 HydrophobicContact CB-CD2 4.17Å; P121-L288 WeakPolarHBondContact O-CD2 3.48Å; P121-L292 HydrophobicContact CB-CD1 4.06Å; P121-L292 HydrophobicContact CB-CD2 4.1Å
122	Q	97.4	Very high	93.7	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-43	175.5	-79.5	162.4	-32.5	0	0	111.2	L118 S119 A124 Y125 V126 L292 D295	L118-Q122 HydrophobicContact CB-CB 4.16Å; L118-Q122 HydrophobicContact CD2-CB 4.26Å; L118-Q122 HydrophobicContact CG-CB 4.39Å; S119-Q122 WeakPolarHBondContact O-CB 3.32Å; S119-Q122 PolarHBondContact O-N 2.7Å; S119-Q122 WeakPolarHBondContact OG-CG 3.4Å; S119-Q122 PolarHBondContact OG-OE1 2.79Å; Q122-A124 VanDerWaalsContact C-N 3.34Å; Q122-Y125 PolarHBondContact O-N 3.22Å; Q122-V126 WeakPolarHBondContact O-CB 3.5Å; Q122-V126 WeakPolarHBondContact O-CG2 3.33Å; Q122-V126 PolarHBondContact O-N 2.82Å; Q122-L292 HydrophobicContact CG-CB 3.93Å; Q122-L292 WeakPolarHBondContact CG-O 3.27Å; Q122-L292 PolarHBondContact NE2-O 2.86Å; Q122-D295 PolarHBondContact NE2-OD2 3.49Å
123	I	98.1	Very high	94.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-41.6	173.8	-60.9	172.6	0	0	0	110.4	L118 S119 E120 V126 C127 A214 L217 A218 W252 F256	L118-I123 HydrophobicContact CB-CD1 4.21Å; L118-I123 HydrophobicContact CB-CG1 3.69Å; S119-I123 WeakPolarHBondContact O-CG1 3.02Å; S119-I123 PolarHBondContact O-N 3Å; E120-I123 PolarHBondContact O-N 3.2Å; I123-V126 PolarHBondContact O-N 2.91Å; I123-C127 VanDerWaalsContact O-CB 3.3Å; I123-C127 WeakPolarHBondContact O-CB 3.16Å; I123-C127 PolarHBondContact O-N 3.5Å; I123-C127 PolarHBondContact O-SG 3.43Å; I123-A214 HydrophobicContact CG2-CB 4.43Å; I123-L217 HydrophobicContact CD1-CB 4.17Å; I123-L217 HydrophobicContact CG1-CB 3.94Å; I123-A218 HydrophobicContact CD1-CB 3.86Å; I123-W252 HydrophobicContact CD1-CH2 4.43Å; I123-F256 HydrophobicContact CD1-CE1 4.18Å; I123-F256 HydrophobicContact CD1-CZ 3.95Å; I123-F256 HydrophobicContact CG2-CE2 3.81Å; I123-F256 HydrophobicContact CG2-CZ 3.87Å
124	A	97.9	Very high	94.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-45.1	177.6	0	0	0	0	0	113.1	E120 P121 Q122 R128 F282 L283 L288	E120-A124 WeakPolarHBondContact O-CB 3.28Å; E120-A124 PolarHBondContact O-N 3.35Å; P121-A124 WeakPolarHBondContact O-CB 3.26Å; P121-A124 PolarHBondContact O-N 2.78Å; Q122-A124 VanDerWaalsContact C-N 3.34Å; A124-R128 PolarHBondContact O-N 3.42Å; A124-F282 HydrophobicContact CB-CD1 4.09Å; A124-F282 HydrophobicContact CB-CD2 4.39Å; A124-F282 HydrophobicContact CB-CE1 3.64Å; A124-F282 HydrophobicContact CB-CE2 3.93Å; A124-F282 HydrophobicContact CB-CG 4.46Å; A124-F282 HydrophobicContact CB-CZ 3.55Å; A124-L283 VanDerWaalsContact O-CD2 3.23Å; A124-L283 WeakPolarHBondContact O-CD2 3.29Å; A124-L288 HydrophobicContact CB-CD1 3.74Å; A124-L288 HydrophobicContact CB-CD2 3.82Å; A124-L288 HydrophobicContact CB-CG 4.46Å
125	Y	97.9	Very high	95.7	Very high	11 Å²	11	20.8 Å²	20.8	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-54.5	174.4	175.4	-100.9	0	0	0	110.6	P121 Q122 C127 R128 E129 V160 N289 T293	P121-Y125 PolarHBondContact O-N 3.37Å; Q122-Y125 PolarHBondContact O-N 3.22Å; Y125-C127 PolarHBondContact O-N 3.2Å; Y125-R128 VanDerWaalsContact CD2-NH2 3.33Å; Y125-R128 VanDerWaalsContact CE2-NH2 3.27Å; Y125-R128 WeakPolarHBondContact O-CB 3.48Å; Y125-R128 PolarHBondContact O-N 2.71Å; Y125-E129 HydrophobicContact CD1-CG 4.37Å; Y125-E129 HydrophobicContact CD2-CG 4.32Å; Y125-E129 HydrophobicContact CE1-CG 4Å; Y125-E129 HydrophobicContact CE2-CG 3.93Å; Y125-E129 WeakPolarHBondContact O-CG 3.46Å; Y125-E129 PolarHBondContact O-N 3.35Å; Y125-E129 VanDerWaalsContact O-N 3.08Å; Y125-V160 HydrophobicContact CD1-CG2 4.25Å; Y125-V160 HydrophobicContact CE1-CG2 3.76Å; Y125-N289 WeakPolarHBondContact CD2-O 3.37Å; Y125-N289 VanDerWaalsContact CE2-C 3.48Å; Y125-T293 HydrophobicContact CD1-CG2 3.71Å; Y125-T293 HydrophobicContact CE1-CG2 3.7Å; Y125-T293 WeakPolarHBondContact CE1-OG1 3.46Å
126	V	98	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.5	-49.1	178.3	164.2	0	0	0	0	112	L108 Q122 I123 R128 E129 M130 V160 L217 T293	L108-V126 HydrophobicContact CD1-CB 4.4Å; L108-V126 HydrophobicContact CD1-CG1 3.45Å; L108-V126 VanDerWaalsContact CD1-CG1 3.45Å; L108-V126 HydrophobicContact CD1-CG2 4.01Å; L108-V126 HydrophobicContact CD2-CG2 4.47Å; Q122-V126 WeakPolarHBondContact O-CB 3.5Å; Q122-V126 WeakPolarHBondContact O-CG2 3.33Å; Q122-V126 PolarHBondContact O-N 2.82Å; I123-V126 PolarHBondContact O-N 2.91Å; V126-R128 VanDerWaalsContact C-N 3.3Å; V126-R128 PolarHBondContact O-N 3.12Å; V126-E129 PolarHBondContact O-N 2.65Å; V126-M130 HydrophobicContact CG1-CG 4.28Å; V126-M130 HydrophobicContact CG1-SD 3.55Å; V126-M130 VanDerWaalsContact CG1-SD 3.55Å; V126-M130 WeakPolarHBondContact O-CB 3.32Å; V126-M130 WeakPolarHBondContact O-CG 3.31Å; V126-M130 PolarHBondContact O-N 2.72Å; V126-V160 HydrophobicContact CG2-CG2 4.24Å; V126-L217 HydrophobicContact CB-CD1 4.44Å; V126-L217 HydrophobicContact CG1-CD1 3.73Å; V126-T293 HydrophobicContact CG2-CG2 4.2Å
127	C	98.3	Very high	96.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-31.8	179.4	-71.8	0	0	0	0	113	I123 Y125 L131 F259 L283	I123-C127 VanDerWaalsContact O-CB 3.3Å; I123-C127 WeakPolarHBondContact O-CB 3.16Å; I123-C127 PolarHBondContact O-N 3.5Å; I123-C127 PolarHBondContact O-SG 3.43Å; Y125-C127 PolarHBondContact O-N 3.2Å; C127-L131 VanDerWaalsContact O-CB 3.29Å; C127-L131 WeakPolarHBondContact O-CB 3.4Å; C127-L131 WeakPolarHBondContact O-CD1 3.45Å; C127-L131 WeakPolarHBondContact O-CG 3.4Å; C127-L131 PolarHBondContact O-N 2.92Å; C127-F259 HydrophobicContact CB-CE1 3.8Å; C127-F259 HydrophobicContact CB-CZ 3.82Å; C127-L283 HydrophobicContact CB-CD2 4.12Å
128	R	98.3	Very high	96.5	Very high	53 Å²	53	20 Å²	20	20%	0.2	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-51.9	174.5	-173.2	-172.5	69.7	-158.2	-0.2	111.2	A124 Y125 V126 M130 L131 Q132 L278 L283 L288	A124-R128 PolarHBondContact O-N 3.42Å; Y125-R128 VanDerWaalsContact CD2-NH2 3.33Å; Y125-R128 VanDerWaalsContact CE2-NH2 3.27Å; Y125-R128 WeakPolarHBondContact O-CB 3.48Å; Y125-R128 PolarHBondContact O-N 2.71Å; V126-R128 VanDerWaalsContact C-N 3.3Å; V126-R128 PolarHBondContact O-N 3.12Å; R128-M130 VanDerWaalsContact C-N 3.34Å; R128-M130 PolarHBondContact O-N 3.03Å; R128-L131 PolarHBondContact O-N 3.42Å; R128-L131 VanDerWaalsContact O-N 3.13Å; R128-Q132 WeakPolarHBondContact O-CG 3.43Å; R128-Q132 PolarHBondContact O-N 2.94Å; R128-L278 HydrophobicContact CG-CD2 4.01Å; R128-L283 HydrophobicContact CB-CB 4.37Å; R128-L283 HydrophobicContact CB-CD1 4.41Å; R128-L283 HydrophobicContact CB-CD2 4.22Å; R128-L283 HydrophobicContact CG-CB 4.46Å; R128-L288 VanDerWaalsContact NH1-CB 3.33Å; R128-L288 PolarHBondContact NH1-O 2.64Å; R128-L288 PolarHBondContact NH2-O 3.44Å; R128-L288 VanDerWaalsContact NH2-O 3.09Å
129	E	97.9	Very high	96.3	Very high	21 Å²	21	22.9 Å²	22.9	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-179.1	-57.5	-53	119.7	0	0	111.7	N82 Y125 V126 L131 Q132 G133 V160	N82-E129 WeakPolarHBondContact CB-O 3.15Å; N82-E129 WeakPolarHBondContact ND2-CB 3.14Å; N82-E129 PolarHBondContact ND2-OE2 2.98Å; Y125-E129 HydrophobicContact CD1-CG 4.37Å; Y125-E129 HydrophobicContact CD2-CG 4.32Å; Y125-E129 HydrophobicContact CE1-CG 4Å; Y125-E129 HydrophobicContact CE2-CG 3.93Å; Y125-E129 WeakPolarHBondContact O-CG 3.46Å; Y125-E129 PolarHBondContact O-N 3.35Å; Y125-E129 VanDerWaalsContact O-N 3.08Å; V126-E129 PolarHBondContact O-N 2.65Å; E129-L131 PolarHBondContact O-N 2.96Å; E129-Q132 PolarHBondContact O-N 3.01Å; E129-Q132 PolarHBondContact OE1-OE1 3.15Å; E129-Q132 PolarHBondContact OE2-OE1 3.23Å; E129-G133 PolarHBondContact O-N 2.71Å; E129-G133 VanDerWaalsContact O-N 3.12Å; E129-V160 HydrophobicContact CB-CB 3.62Å; E129-V160 HydrophobicContact CB-CG1 4.18Å; E129-V160 HydrophobicContact CB-CG2 3.86Å; E129-V160 HydrophobicContact CG-CB 4.14Å; E129-V160 HydrophobicContact CG-CG2 3.89Å
130	M	97.3	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-44.6	171.6	-72.5	172.5	58.7	0	0	112.3	V126 R128 G133 L134 I147 I152 V160 L162 V210 T213	V126-M130 HydrophobicContact CG1-CG 4.28Å; V126-M130 HydrophobicContact CG1-SD 3.55Å; V126-M130 VanDerWaalsContact CG1-SD 3.55Å; V126-M130 WeakPolarHBondContact O-CB 3.32Å; V126-M130 WeakPolarHBondContact O-CG 3.31Å; V126-M130 PolarHBondContact O-N 2.72Å; R128-M130 VanDerWaalsContact C-N 3.34Å; R128-M130 PolarHBondContact O-N 3.03Å; M130-G133 PolarHBondContact O-N 3.17Å; M130-L134 WeakPolarHBondContact O-CG 3.45Å; M130-L134 PolarHBondContact O-N 3.03Å; M130-I147 HydrophobicContact CE-CG2 3.58Å; M130-I152 HydrophobicContact CE-CD1 3.65Å; M130-I152 HydrophobicContact CE-CG1 3.97Å; M130-I152 HydrophobicContact CG-CD1 4.1Å; M130-I152 HydrophobicContact CG-CG1 4.45Å; M130-I152 HydrophobicContact CG-CG2 3.98Å; M130-I152 HydrophobicContact SD-CD1 3.99Å; M130-I152 HydrophobicContact SD-CG1 3.9Å; M130-I152 HydrophobicContact SD-CG2 4.07Å; M130-V160 HydrophobicContact CG-CG1 4.26Å; M130-L162 HydrophobicContact CB-CD2 4.35Å; M130-L162 HydrophobicContact CG-CD2 4.1Å; M130-V210 HydrophobicContact CE-CG1 4.33Å; M130-V210 HydrophobicContact CE-CG2 4.11Å; M130-T213 HydrophobicContact CE-CG2 4Å; M130-T213 HydrophobicContact SD-CG2 4.42Å
131	L	98.3	Very high	95.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.5	-28.7	-179.3	-76.5	165.3	0	0	0	112.7	C127 R128 E129 L134 D135 V210 F259 A274 M277 L278 L283	C127-L131 VanDerWaalsContact O-CB 3.29Å; C127-L131 WeakPolarHBondContact O-CB 3.4Å; C127-L131 WeakPolarHBondContact O-CD1 3.45Å; C127-L131 WeakPolarHBondContact O-CG 3.4Å; C127-L131 PolarHBondContact O-N 2.92Å; R128-L131 PolarHBondContact O-N 3.42Å; R128-L131 VanDerWaalsContact O-N 3.13Å; E129-L131 PolarHBondContact O-N 2.96Å; L131-L134 HydrophobicContact CD2-CD1 4.42Å; L131-D135 WeakPolarHBondContact O-CB 3.43Å; L131-D135 PolarHBondContact O-N 2.79Å; L131-V210 HydrophobicContact CD1-CG1 4.49Å; L131-V210 HydrophobicContact CD2-CG1 4.46Å; L131-V210 HydrophobicContact CD2-CG2 4.19Å; L131-V210 HydrophobicContact CG-CG1 4.3Å; L131-F259 HydrophobicContact CD1-CE2 4.25Å; L131-F259 HydrophobicContact CD1-CZ 3.96Å; L131-A274 HydrophobicContact CD2-CB 4.09Å; L131-M277 HydrophobicContact CD1-CB 3.75Å; L131-M277 HydrophobicContact CD2-CB 4.26Å; L131-L278 HydrophobicContact CB-CD2 3.6Å; L131-L278 HydrophobicContact CB-CG 4.05Å; L131-L283 HydrophobicContact CD1-CD1 3.62Å
132	Q	98.1	Very high	94.6	Very high	64 Å²	64	31.5 Å²	31.5	30%	0.299	15%	0.152	S	C	.	.	H	α-helix	trans	-65.4	-47.1	170	-71.9	164.2	-33	0	0	111.1	R128 E129 L134 D135 Y136 L278	R128-Q132 WeakPolarHBondContact O-CG 3.43Å; R128-Q132 PolarHBondContact O-N 2.94Å; E129-Q132 PolarHBondContact O-N 3.01Å; E129-Q132 PolarHBondContact OE1-OE1 3.15Å; E129-Q132 PolarHBondContact OE2-OE1 3.23Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 PolarHBondContact O-N 2.9Å; Q132-D135 PolarHBondContact O-N 3.47Å; Q132-Y136 PolarHBondContact O-N 2.95Å; Q132-L278 HydrophobicContact CG-CD1 4.05Å; Q132-L278 HydrophobicContact CG-CD2 3.88Å
133	G	95.9	Very high	93.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-39.6	174.1	0	0	0	0	0	113.4	E129 M130 L137	E129-G133 PolarHBondContact O-N 2.71Å; E129-G133 VanDerWaalsContact O-N 3.12Å; M130-G133 PolarHBondContact O-N 3.17Å; G133-L137 WeakPolarHBondContact O-CG 3.38Å; G133-L137 PolarHBondContact O-N 2.84Å
134	L	95.3	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-41	175.5	-74.3	172	0	0	0	113	M130 L131 Q132 Y136 L137 H138 H144 I147 L162 D206 V210 A274	M130-L134 WeakPolarHBondContact O-CG 3.45Å; M130-L134 PolarHBondContact O-N 3.03Å; L131-L134 HydrophobicContact CD2-CD1 4.42Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 PolarHBondContact O-N 2.9Å; L134-Y136 VanDerWaalsContact C-N 3.3Å; L134-Y136 PolarHBondContact O-N 3.22Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L137 WeakPolarHBondContact O-CB 3.36Å; L134-L137 PolarHBondContact O-N 2.88Å; L134-L137 VanDerWaalsContact O-N 3.1Å; L134-H138 WeakPolarHBondContact O-CB 3.36Å; L134-H138 PolarHBondContact O-CD2 2.87Å; L134-H138 PolarHBondContact O-N 2.62Å; L134-H144 HydrophobicContact CD2-CB 3.94Å; L134-I147 HydrophobicContact CD1-CD1 4.41Å; L134-I147 HydrophobicContact CD1-CG1 4.42Å; L134-I147 HydrophobicContact CD2-CD1 4.09Å; L134-I147 HydrophobicContact CD2-CG1 4.2Å; L134-I147 HydrophobicContact CG-CD1 4.49Å; L134-L162 HydrophobicContact CD2-CD1 4.42Å; L134-L162 HydrophobicContact CG-CD1 4.22Å; L134-D206 HydrophobicContact CD1-CB 4.11Å; L134-D206 HydrophobicContact CD2-CB 3.74Å; L134-V210 HydrophobicContact CD1-CG2 3.34Å; L134-A274 HydrophobicContact CB-CB 4.26Å
135	D	97.4	Very high	92.5	Very high	53 Å²	53	36.3 Å²	36.3	28%	0.283	17%	0.172	S	C	.	.	H	α-helix	trans	-63.2	-39.5	179.7	-159	56.2	0	0	0	111.7	L131 Q132 H138 A139 A274 A275 L278	L131-D135 WeakPolarHBondContact O-CB 3.43Å; L131-D135 PolarHBondContact O-N 2.79Å; Q132-D135 PolarHBondContact O-N 3.47Å; D135-H138 PolarHBondContact O-N 2.89Å; D135-A139 WeakPolarHBondContact O-CB 3.06Å; D135-A139 PolarHBondContact O-N 2.85Å; D135-A274 HydrophobicContact CB-CB 3.74Å; D135-A275 WeakPolarHBondContact OD1-CA 3.34Å; D135-A275 VanDerWaalsContact OD1-CB 3.24Å; D135-A275 WeakPolarHBondContact OD1-CB 3.5Å; D135-A275 PolarHBondContact OD1-N 2.86Å; D135-L278 HydrophobicContact CB-CD1 4.42Å
136	Y	95.5	Very high	91.8	Very high	54 Å²	54	36.9 Å²	36.9	21%	0.212	18%	0.176	C	C	.	.	H	α-helix	trans	-57.3	-48.5	169.5	171.7	-92.6	0	0	0	112.3	C78 K79 H80 I83 Q132 L134 H138 A139 Q140	C78-Y136 HydrophobicContact CB-CE1 4.21Å; K79-Y136 PolarHBondContact N-OH 2.92Å; K79-Y136 PolarHBondContact O-OH 3.35Å; H80-Y136 HydrophobicContact CB-CD1 3.82Å; H80-Y136 HydrophobicContact CB-CD2 4.18Å; H80-Y136 HydrophobicContact CB-CE1 4.04Å; H80-Y136 HydrophobicContact CB-CE2 4.38Å; H80-Y136 HydrophobicContact CB-CG 3.9Å; H80-Y136 AromaticContact CD2-CD2 3.68Å; H80-Y136 AromaticContact CD2-CG 3.64Å; H80-Y136 AromaticContact CG-CG 3.83Å; I83-Y136 HydrophobicContact CD1-CD1 3.63Å; I83-Y136 HydrophobicContact CD1-CE1 3.94Å; Q132-Y136 PolarHBondContact O-N 2.95Å; L134-Y136 VanDerWaalsContact C-N 3.3Å; L134-Y136 PolarHBondContact O-N 3.22Å; Y136-H138 PolarHBondContact O-N 3.07Å; Y136-A139 PolarHBondContact O-N 2.82Å; Y136-Q140 HydrophobicContact CE1-CG 4.36Å; Y136-Q140 HydrophobicContact CE2-CG 4.43Å; Y136-Q140 WeakPolarHBondContact O-CG 3.48Å; Y136-Q140 PolarHBondContact O-N 2.84Å; Y136-Q140 VanDerWaalsContact O-N 3.1Å
137	L	90.7	Very high	91.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-44.2	177.2	-71.5	169.6	0	0	0	112.1	C78 I83 G133 L134 A139 Q140 K141 K142 H144 L162 F165	C78-L137 VanDerWaalsContact SG-CD2 3.56Å; I83-L137 HydrophobicContact CD1-CD1 4.45Å; I83-L137 HydrophobicContact CD1-CD2 4Å; I83-L137 HydrophobicContact CD1-CG 4Å; G133-L137 WeakPolarHBondContact O-CG 3.38Å; G133-L137 PolarHBondContact O-N 2.84Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L137 WeakPolarHBondContact O-CB 3.36Å; L134-L137 PolarHBondContact O-N 2.88Å; L134-L137 VanDerWaalsContact O-N 3.1Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 2.89Å; L137-Q140 CarbonylContact O-C 3.6Å; L137-Q140 VanDerWaalsContact O-C 3.29Å; L137-Q140 WeakPolarHBondContact O-CA 3.2Å; L137-Q140 PolarHBondContact O-N 3.16Å; L137-Q140 VanDerWaalsContact O-N 3.08Å; L137-K141 PolarHBondContact O-N 3.16Å; L137-K141 VanDerWaalsContact O-N 3.07Å; L137-K142 CarbonylContact C-O 3.53Å; L137-K142 HydrophobicContact CB-CB 4.12Å; L137-K142 HydrophobicContact CD2-CB 3.86Å; L137-K142 HydrophobicContact CD2-CD 3.81Å; L137-K142 HydrophobicContact CD2-CG 4.49Å; L137-K142 PolarHBondContact O-N 3.37Å; L137-H144 HydrophobicContact CD1-CB 4.39Å; L137-L162 HydrophobicContact CD1-CD1 4.38Å; L137-F165 HydrophobicContact CD1-CD1 3.96Å; L137-F165 HydrophobicContact CD1-CE1 3.84Å; L137-F165 HydrophobicContact CD2-CD1 4.44Å
138	H	91	Very high	91.1	Very high	15 Å²	15	38 Å²	38	7%	0.069	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-33.7	-176.5	-65.7	-173	0	0	0	111.6	L134 D135 Y136 K141 K142 E203 D206	L134-H138 WeakPolarHBondContact O-CB 3.36Å; L134-H138 PolarHBondContact O-CD2 2.87Å; L134-H138 PolarHBondContact O-N 2.62Å; D135-H138 PolarHBondContact O-N 2.89Å; Y136-H138 PolarHBondContact O-N 3.07Å; H138-K141 PolarHBondContact O-N 3.21Å; H138-K142 PolarHBondContact CD2-O 3.19Å; H138-E203 HydrophobicContact CB-CB 4.34Å; H138-E203 HydrophobicContact CB-CG 4.13Å; H138-E203 PolarHBondContact CE1-O 2.85Å; H138-E203 PolarHBondContact NE2-O 2.87Å; H138-D206 IonicContact CD2-OD2 3.37Å; H138-D206 IonicContact CE1-OD2 2.85Å; H138-D206 IonicContact NE2-OD2 3.79Å; H138-D206 PolarHBondContact NE2-OD2 3.13Å
139	A	92.2	Very high	90.8	Very high	64 Å²	64	35.5 Å²	35.5	53%	0.529	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-44	167.5	0	0	0	0	0	111.5	D135 Y136 L137 K141	D135-A139 WeakPolarHBondContact O-CB 3.06Å; D135-A139 PolarHBondContact O-N 2.85Å; Y136-A139 PolarHBondContact O-N 2.82Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 2.89Å; A139-K141 PolarHBondContact O-N 3.4Å
140	Q	85.8	Confident	90.3	Very high	111 Å²	111	36 Å²	36	52%	0.519	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	8.2	174.7	-61.3	-58.5	-50.6	0	0	114.5	Y136 L137 K142	Y136-Q140 HydrophobicContact CE1-CG 4.36Å; Y136-Q140 HydrophobicContact CE2-CG 4.43Å; Y136-Q140 WeakPolarHBondContact O-CG 3.48Å; Y136-Q140 PolarHBondContact O-N 2.84Å; Y136-Q140 VanDerWaalsContact O-N 3.1Å; L137-Q140 CarbonylContact O-C 3.6Å; L137-Q140 VanDerWaalsContact O-C 3.29Å; L137-Q140 WeakPolarHBondContact O-CA 3.2Å; L137-Q140 PolarHBondContact O-N 3.16Å; L137-Q140 VanDerWaalsContact O-N 3.08Å; Q140-K142 HydrophobicContact CB-CD 4.18Å; Q140-K142 HydrophobicContact CB-CG 4.39Å; Q140-K142 PolarHBondContact O-N 3.2Å
141	K	83.1	Confident	90	Very high	177 Å²	177	36.4 Å²	36.4	77%	0.77	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	26.8	-177.7	-51.5	-57.3	168.6	-156.8	0	114.9	L137 H138 A139	L137-K141 PolarHBondContact O-N 3.16Å; L137-K141 VanDerWaalsContact O-N 3.07Å; H138-K141 PolarHBondContact O-N 3.21Å; A139-K141 PolarHBondContact O-N 3.4Å
142	K	81.9	Confident	89.9	Confident	28 Å²	28	36.4 Å²	36.4	12%	0.122	18%	0.181	C	C	.	.			trans	-94.8	151.7	170.7	-64.9	168.6	175.7	-176.5	0	109.7	I74 S77 C78 L137 H138 Q140	I74-K142 HydrophobicContact CG2-CD 4.2Å; I74-K142 PolarHBondContact O-NZ 3.4Å; S77-K142 PolarHBondContact O-NZ 2.95Å; S77-K142 PolarHBondContact OG-NZ 2.8Å; C78-K142 PolarHBondContact SG-NZ 3.46Å; L137-K142 CarbonylContact C-O 3.53Å; L137-K142 HydrophobicContact CB-CB 4.12Å; L137-K142 HydrophobicContact CD2-CB 3.86Å; L137-K142 HydrophobicContact CD2-CD 3.81Å; L137-K142 HydrophobicContact CD2-CG 4.49Å; L137-K142 PolarHBondContact O-N 3.37Å; H138-K142 PolarHBondContact CD2-O 3.19Å; Q140-K142 HydrophobicContact CB-CD 4.18Å; Q140-K142 HydrophobicContact CB-CG 4.39Å; Q140-K142 PolarHBondContact O-N 3.2Å
143	I	82.9	Confident	89.7	Confident	39 Å²	39	35.1 Å²	35.1	20%	0.2	18%	0.176	C	C	.	.			trans	-130.1	135.3	176.1	-52	179.1	0	0	0	107.2	R145 G166 E203 C205 D206	I143-R145 HydrophobicContact CB-CG 4.15Å; I143-R145 HydrophobicContact CG2-CG 3.68Å; I143-G166 WeakPolarHBondContact O-CA 3.1Å; I143-E203 HydrophobicContact CD1-CB 4.4Å; I143-E203 HydrophobicContact CG1-CB 4.05Å; I143-C205 VanDerWaalsContact CG2-SG 3.57Å; I143-D206 WeakPolarHBondContact CG2-OD1 3.44Å; I143-D206 WeakPolarHBondContact CG2-OD2 3.28Å
144	H	85.5	Confident	89.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.			trans	-82.8	-34.7	-174.8	-164.4	-45.1	0	0	0	113.1	L134 L137 D146 I147 A163 D164 F165 G166 D206	L134-H144 HydrophobicContact CD2-CB 3.94Å; L137-H144 HydrophobicContact CD1-CB 4.39Å; H144-D146 PolarHBondContact O-N 2.84Å; H144-I147 HydrophobicContact CB-CD1 4.15Å; H144-I147 HydrophobicContact CB-CG1 4Å; H144-I147 WeakPolarHBondContact CD2-CD1 3.3Å; H144-A163 PolarHBondContact CE1-O 3.49Å; H144-A163 PolarHBondContact NE2-O 2.86Å; H144-D164 PolarHBondContact CE1-O 2.85Å; H144-F165 AromaticContact CD2-CD1 3.52Å; H144-F165 AromaticContact CD2-CE1 3.63Å; H144-F165 AromaticContact NE2-CD1 3.65Å; H144-F165 AromaticContact NE2-CE1 3.69Å; H144-G166 WeakPolarHBondContact O-CA 3.27Å; H144-G166 PolarHBondContact O-N 3.21Å; H144-D206 PolarHBondContact N-OD1 3.42Å; H144-D206 PolarHBondContact N-OD2 2.89Å
145	R	81.4	Confident	89.6	Confident	71 Å²	71	35.5 Å²	35.5	27%	0.268	18%	0.178	S	C	.	.			trans	62	-9.4	173.2	-51.8	-177.5	179.7	152.3	-22.9	117.7	I143 G166 Y201 D206	I143-R145 HydrophobicContact CB-CG 4.15Å; I143-R145 HydrophobicContact CG2-CG 3.68Å; R145-G166 VanDerWaalsContact CD-O 3.32Å; R145-G166 WeakPolarHBondContact CD-O 3.43Å; R145-G166 PolarHBondContact NH1-O 3.48Å; R145-Y201 VanDerWaalsContact CD-OH 3.23Å; R145-Y201 WeakPolarHBondContact CD-OH 3.38Å; R145-Y201 HydrophobicContact CG-CE2 4.3Å; R145-Y201 PolarHBondContact NE-OH 3.47Å; R145-D206 PolarHBondContact N-OD1 2.75Å
146	D	82.3	Confident	89.3	Confident	23 Å²	23	36.2 Å²	36.2	12%	0.123	18%	0.182	C	C	.	.			trans	-143.7	54.2	-175.5	-162.9	28.8	0	0	0	110.8	H144 K148 N151	H144-D146 PolarHBondContact O-N 2.84Å; D146-K148 WeakPolarHBondContact OD1-CE 3.07Å; D146-K148 IonicContact OD1-NZ 3.2Å; D146-K148 PolarHBondContact OD1-NZ 2.91Å; D146-K148 IonicContact OD2-NZ 3.71Å; D146-K148 PolarHBondContact OD2-NZ 2.96Å; D146-N151 VanDerWaalsContact CG-ND2 3.31Å; D146-N151 PolarHBondContact O-ND2 3.46Å; D146-N151 PolarHBondContact OD2-ND2 3.01Å
147	I	91.3	Very high	89.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.			trans	-84.1	112.9	175.1	-70	-71.6	0	0	0	109.2	M130 L134 H144 I152 L162 W187 D206 V210 T213	M130-I147 HydrophobicContact CE-CG2 3.58Å; L134-I147 HydrophobicContact CD1-CD1 4.41Å; L134-I147 HydrophobicContact CD1-CG1 4.42Å; L134-I147 HydrophobicContact CD2-CD1 4.09Å; L134-I147 HydrophobicContact CD2-CG1 4.2Å; L134-I147 HydrophobicContact CG-CD1 4.49Å; H144-I147 HydrophobicContact CB-CD1 4.15Å; H144-I147 HydrophobicContact CB-CG1 4Å; H144-I147 WeakPolarHBondContact CD2-CD1 3.3Å; I147-I152 HydrophobicContact CD1-CD1 4.15Å; I147-L162 HydrophobicContact CD1-CD2 3.9Å; I147-W187 VanDerWaalsContact O-CD1 3.24Å; I147-D206 HydrophobicContact CG1-CB 4.5Å; I147-V210 HydrophobicContact CG2-CG2 4.03Å; I147-T213 PolarHBondContact O-OG1 3.18Å
148	K	91.5	Very high	89.3	Confident	24 Å²	24	38.9 Å²	38.9	10%	0.104	20%	0.196	C	C	.	.	S	Bend	trans	-159	157.9	179.2	63.6	-166.1	179.2	-147.3	0	109.6	D146 A150 N151 I152 T184 W187	D146-K148 WeakPolarHBondContact OD1-CE 3.07Å; D146-K148 IonicContact OD1-NZ 3.2Å; D146-K148 PolarHBondContact OD1-NZ 2.91Å; D146-K148 IonicContact OD2-NZ 3.71Å; D146-K148 PolarHBondContact OD2-NZ 2.96Å; K148-A150 HydrophobicContact CG-CB 4.3Å; K148-A150 PolarHBondContact O-N 2.93Å; K148-N151 VanDerWaalsContact CE-OD1 3.24Å; K148-N151 WeakPolarHBondContact CE-OD1 3.48Å; K148-N151 HydrophobicContact CG-CB 4.34Å; K148-N151 PolarHBondContact O-N 3.18Å; K148-I152 WeakPolarHBondContact O-CG1 3.48Å; K148-T184 PolarHBondContact NZ-OG1 2.78Å; K148-W187 HydrophobicContact CB-CD2 3.76Å; K148-W187 HydrophobicContact CB-CE3 4.49Å; K148-W187 HydrophobicContact CB-CG 3.81Å; K148-W187 HydrophobicContact CB-CZ2 4.08Å
149	G	91.2	Very high	89.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.9	-25.3	-174.6	0	0	0	0	0	115.9	L108 Q109 N151 E216	L108-G149 PolarHBondContact N-O 2.86Å; Q109-G149 PolarHBondContact N-O 3.18Å; Q109-G149 VanDerWaalsContact N-O 3.13Å; G149-N151 VanDerWaalsContact C-N 3.33Å; G149-E216 VanDerWaalsContact CA-OE1 3.27Å; G149-E216 WeakPolarHBondContact CA-OE1 3.3Å; G149-E216 VanDerWaalsContact N-CD 3.29Å; G149-E216 PolarHBondContact N-OE1 3.34Å; G149-E216 PolarHBondContact N-OE2 2.94Å
150	A	88.4	Confident	89.8	Confident	30 Å²	30	38.5 Å²	38.5	25%	0.248	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-68.3	-28	173.1	0	0	0	0	0	113.8	S107 Q109 K148	S107-A150 VanDerWaalsContact CB-O 3.22Å; S107-A150 WeakPolarHBondContact CB-O 3.45Å; Q109-A150 HydrophobicContact CB-CB 4.21Å; K148-A150 HydrophobicContact CG-CB 4.3Å; K148-A150 PolarHBondContact O-N 2.93Å
151	N	90.7	Very high	90.2	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-99.8	4.1	-176.4	-62.3	12.3	0	0	0	112.3	D146 K148 G149 A163	D146-N151 VanDerWaalsContact CG-ND2 3.31Å; D146-N151 PolarHBondContact O-ND2 3.46Å; D146-N151 PolarHBondContact OD2-ND2 3.01Å; K148-N151 VanDerWaalsContact CE-OD1 3.24Å; K148-N151 WeakPolarHBondContact CE-OD1 3.48Å; K148-N151 HydrophobicContact CG-CB 4.34Å; K148-N151 PolarHBondContact O-N 3.18Å; G149-N151 VanDerWaalsContact C-N 3.33Å; N151-A163 PolarHBondContact O-N 3.35Å
152	I	95.4	Very high	90.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.6	174.2	-43.4	-56	0	0	0	107.5	S107 L108 M130 I147 K148 V160 L162	S107-I152 CarbonylContact C-O 3.59Å; S107-I152 WeakPolarHBondContact CA-O 3.46Å; L108-I152 HydrophobicContact CD1-CB 3.87Å; L108-I152 HydrophobicContact CD1-CG2 3.59Å; L108-I152 HydrophobicContact CG-CB 4.23Å; L108-I152 HydrophobicContact CG-CG2 4.17Å; L108-I152 PolarHBondContact N-O 3Å; M130-I152 HydrophobicContact CE-CD1 3.65Å; M130-I152 HydrophobicContact CE-CG1 3.97Å; M130-I152 HydrophobicContact CG-CD1 4.1Å; M130-I152 HydrophobicContact CG-CG1 4.45Å; M130-I152 HydrophobicContact CG-CG2 3.98Å; M130-I152 HydrophobicContact SD-CD1 3.99Å; M130-I152 HydrophobicContact SD-CG1 3.9Å; M130-I152 HydrophobicContact SD-CG2 4.07Å; I147-I152 HydrophobicContact CD1-CD1 4.15Å; K148-I152 WeakPolarHBondContact O-CG1 3.48Å; I152-V160 HydrophobicContact CG2-CG1 3.46Å; I152-V160 VanDerWaalsContact CG2-CG1 3.46Å; I152-L162 HydrophobicContact CD1-CD2 3.47Å; I152-L162 VanDerWaalsContact CD1-CD2 3.47Å
153	L	95.1	Very high	91.1	Very high	36 Å²	36	24.3 Å²	24.3	19%	0.188	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	154.4	-174.8	-47.7	-176.2	0	0	0	111.7	V84 C103 G106 K161 A163	V84-L153 HydrophobicContact CG2-CD1 4.09Å; C103-L153 HydrophobicContact CB-CB 3.58Å; C103-L153 HydrophobicContact CB-CD1 3.85Å; C103-L153 HydrophobicContact CB-CG 4.36Å; G106-L153 WeakPolarHBondContact O-CA 3.39Å; L153-K161 HydrophobicContact CB-CB 4.46Å; L153-K161 PolarHBondContact N-O 3.37Å; L153-K161 PolarHBondContact O-N 2.69Å; L153-A163 HydrophobicContact CD1-CB 3.73Å; L153-A163 HydrophobicContact CG-CB 3.9Å
154	L	95.5	Very high	90.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.9	164.9	-61	-170.7	0	0	0	110.6	C103 G105 G106 L108 I111 E159 V160 T293 L297	C103-L154 CarbonylContact C-O 3.58Å; C103-L154 VanDerWaalsContact C-O 3.27Å; C103-L154 WeakPolarHBondContact CB-O 3.42Å; G105-L154 VanDerWaalsContact CA-O 3.26Å; G105-L154 WeakPolarHBondContact CA-O 3.42Å; G105-L154 PolarHBondContact N-O 3.45Å; G106-L154 PolarHBondContact O-N 2.86Å; L108-L154 HydrophobicContact CD2-CD1 3.95Å; L108-L154 HydrophobicContact CD2-CD2 4.08Å; L108-L154 HydrophobicContact CD2-CG 3.83Å; I111-L154 HydrophobicContact CD1-CB 4.29Å; I111-L154 HydrophobicContact CD1-CD1 3.7Å; I111-L154 HydrophobicContact CD1-CG 4Å; L154-E159 WeakPolarHBondContact CA-O 3.32Å; L154-V160 HydrophobicContact CD2-CB 4.26Å; L154-V160 HydrophobicContact CD2-CG2 3.76Å; L154-T293 HydrophobicContact CD1-CG2 3.9Å; L154-T293 HydrophobicContact CD2-CG2 3.95Å; L154-L297 HydrophobicContact CB-CD1 4.37Å; L154-L297 HydrophobicContact CB-CD2 4.35Å; L154-L297 HydrophobicContact CD1-CD1 4.2Å; L154-L297 HydrophobicContact CD1-CD2 4.09Å; L154-L297 HydrophobicContact CD1-CG 3.97Å
155	N	92.9	Very high	90.1	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.043	13%	0.129	C	C	.	.			trans	-82.2	174	164.1	67.5	13.5	0	0	0	111.5	Q157 G158 E159 K161 L297	N155-Q157 PolarHBondContact O-N 2.86Å; N155-Q157 VanDerWaalsContact O-N 3.13Å; N155-Q157 PolarHBondContact OD1-N 3.07Å; N155-Q157 PolarHBondContact OD1-OE1 2.87Å; N155-G158 PolarHBondContact O-N 3.4Å; N155-G158 PolarHBondContact OD1-N 3.46Å; N155-E159 PolarHBondContact N-O 2.65Å; N155-E159 PolarHBondContact ND2-OE2 2.82Å; N155-E159 WeakPolarHBondContact OD1-CB 3.38Å; N155-E159 PolarHBondContact OD1-N 2.81Å; N155-K161 WeakPolarHBondContact ND2-CE 3.11Å; N155-L297 WeakPolarHBondContact O-CD1 3.29Å
156	D	90.9	Very high	88.8	Confident	69 Å²	69	22.3 Å²	22.3	37%	0.369	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.8	-176.5	-85.7	-61.1	0	0	0	113.6	G104 K301	G104-D156 WeakPolarHBondContact CA-OD2 3.45Å; D156-K301 IonicContact OD1-NZ 2.75Å; D156-K301 PolarHBondContact OD1-NZ 2.98Å
157	Q	93.6	Very high	87.2	Confident	110 Å²	110	21.2 Å²	21.2	51%	0.514	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.6	173.9	-61.6	72	18.2	0	0	112.4	N155 E159 Q290 L294	N155-Q157 PolarHBondContact O-N 2.86Å; N155-Q157 VanDerWaalsContact O-N 3.13Å; N155-Q157 PolarHBondContact OD1-N 3.07Å; N155-Q157 PolarHBondContact OD1-OE1 2.87Å; Q157-E159 HydrophobicContact CB-CG 4.42Å; Q157-Q290 VanDerWaalsContact O-CD 3.31Å; Q157-Q290 WeakPolarHBondContact O-CG 3.17Å; Q157-Q290 PolarHBondContact O-NE2 3.18Å; Q157-L294 WeakPolarHBondContact O-CD2 3.49Å
158	G	92.6	Very high	85.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.			trans	81.9	12.2	-177.4	0	0	0	0	0	115.1	N155 T293	N155-G158 PolarHBondContact O-N 3.4Å; N155-G158 PolarHBondContact OD1-N 3.46Å; G158-T293 WeakPolarHBondContact O-CB 3.44Å; G158-T293 PolarHBondContact O-OG1 2.87Å
159	E	95.7	Very high	82.8	Confident	70 Å²	70	22 Å²	22	33%	0.327	12%	0.122	S	C	.	.			trans	-69.8	140.3	170.6	-54	-179.5	152.7	0	0	110.3	L154 N155 Q157 K161 Q290	L154-E159 WeakPolarHBondContact CA-O 3.32Å; N155-E159 PolarHBondContact N-O 2.65Å; N155-E159 PolarHBondContact ND2-OE2 2.82Å; N155-E159 WeakPolarHBondContact OD1-CB 3.38Å; N155-E159 PolarHBondContact OD1-N 2.81Å; Q157-E159 HydrophobicContact CB-CG 4.42Å; E159-K161 WeakPolarHBondContact OE2-CE 3.22Å; E159-K161 IonicContact OE2-NZ 2.67Å; E159-K161 PolarHBondContact OE2-NZ 2.9Å; E159-Q290 VanDerWaalsContact CG-NE2 3.31Å
160	V	97.4	Very high	80.4	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.3	179.6	-172.7	0	0	0	0	110.2	N82 Y125 V126 E129 M130 I152 L154 T293	N82-V160 VanDerWaalsContact CA-O 3.3Å; N82-V160 WeakPolarHBondContact CA-O 3.07Å; N82-V160 WeakPolarHBondContact CB-O 3.42Å; N82-V160 PolarHBondContact ND2-O 2.87Å; Y125-V160 HydrophobicContact CD1-CG2 4.25Å; Y125-V160 HydrophobicContact CE1-CG2 3.76Å; V126-V160 HydrophobicContact CG2-CG2 4.24Å; E129-V160 HydrophobicContact CB-CB 3.62Å; E129-V160 HydrophobicContact CB-CG1 4.18Å; E129-V160 HydrophobicContact CB-CG2 3.86Å; E129-V160 HydrophobicContact CG-CB 4.14Å; E129-V160 HydrophobicContact CG-CG2 3.89Å; M130-V160 HydrophobicContact CG-CG1 4.26Å; I152-V160 HydrophobicContact CG2-CG1 3.46Å; I152-V160 VanDerWaalsContact CG2-CG1 3.46Å; L154-V160 HydrophobicContact CD2-CB 4.26Å; L154-V160 HydrophobicContact CD2-CG2 3.76Å; V160-T293 HydrophobicContact CG2-CG2 4.42Å
161	K	95.8	Very high	78.1	Confident	10 Å²	10	25 Å²	25	4%	0.043	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.1	-176.7	-51	-75.5	170.3	154.9	0	110.9	P81 V84 E101 L153 N155 E159	P81-K161 VanDerWaalsContact O-CD 3.26Å; P81-K161 WeakPolarHBondContact O-CD 3.37Å; P81-K161 WeakPolarHBondContact O-CE 3.37Å; P81-K161 PolarHBondContact O-NZ 3.23Å; P81-K161 VanDerWaalsContact O-NZ 3.11Å; V84-K161 HydrophobicContact CG2-CB 3.71Å; E101-K161 WeakPolarHBondContact OE1-CE 3.2Å; E101-K161 IonicContact OE1-NZ 2.68Å; E101-K161 PolarHBondContact OE1-NZ 2.87Å; E101-K161 IonicContact OE2-NZ 2.65Å; L153-K161 HydrophobicContact CB-CB 4.46Å; L153-K161 PolarHBondContact N-O 3.37Å; L153-K161 PolarHBondContact O-N 2.69Å; N155-K161 WeakPolarHBondContact ND2-CE 3.11Å; E159-K161 WeakPolarHBondContact OE2-CE 3.22Å; E159-K161 IonicContact OE2-NZ 2.67Å; E159-K161 PolarHBondContact OE2-NZ 2.9Å
162	L	93.4	Very high	75.7	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.6	167.1	-59.8	-179.5	0	0	0	110.2	N82 I83 V84 M130 L134 L137 I147 I152 F165	N82-L162 WeakPolarHBondContact O-CG 3.42Å; N82-L162 PolarHBondContact O-N 3.1Å; I83-L162 HydrophobicContact CG1-CB 4.44Å; V84-L162 WeakPolarHBondContact CG2-O 3.43Å; V84-L162 PolarHBondContact N-O 2.61Å; M130-L162 HydrophobicContact CB-CD2 4.35Å; M130-L162 HydrophobicContact CG-CD2 4.1Å; L134-L162 HydrophobicContact CD2-CD1 4.42Å; L134-L162 HydrophobicContact CG-CD1 4.22Å; L137-L162 HydrophobicContact CD1-CD1 4.38Å; I147-L162 HydrophobicContact CD1-CD2 3.9Å; I152-L162 HydrophobicContact CD1-CD2 3.47Å; I152-L162 VanDerWaalsContact CD1-CD2 3.47Å; L162-F165 VanDerWaalsContact C-CZ 3.5Å; L162-F165 HydrophobicContact CB-CE1 3.67Å; L162-F165 HydrophobicContact CB-CZ 3.62Å; L162-F165 HydrophobicContact CD1-CE1 4.46Å; L162-F165 WeakPolarHBondContact O-CE2 3.44Å; L162-F165 WeakPolarHBondContact O-CZ 3.32Å
163	A	88.9	Confident	73.1	Confident	8 Å²	8	27.9 Å²	27.9	7%	0.066	16%	0.155	C	C	.	.			trans	-136.8	167.3	-179.4	0	0	0	0	0	112.1	V84 H144 N151 L153	V84-A163 HydrophobicContact CG2-CB 3.93Å; H144-A163 PolarHBondContact CE1-O 3.49Å; H144-A163 PolarHBondContact NE2-O 2.86Å; N151-A163 PolarHBondContact O-N 3.35Å; L153-A163 HydrophobicContact CD1-CB 3.73Å; L153-A163 HydrophobicContact CG-CB 3.9Å
164	D	78.2	Confident	70.5	Confident	59 Å²	59	28.6 Å²	28.6	32%	0.316	16%	0.16	S	C	.	.	S	Bend	trans	52.8	62.2	178.3	-75.9	-26.1	0	0	0	114.9	K55 H144 G166	K55-D164 WeakPolarHBondContact CE-OD1 3.44Å; K55-D164 IonicContact NZ-OD1 2.68Å; K55-D164 PolarHBondContact NZ-OD1 3.46Å; H144-D164 PolarHBondContact CE1-O 2.85Å; D164-G166 PolarHBondContact O-N 3.19Å
165	F	70.1	Confident	67.6	Low	6 Å²	6	32.2 Å²	32.2	3%	0.026	18%	0.179	C	C	.	.			trans	-74	122.4	-173.4	-62.3	-83.8	0	0	0	114.8	I74 V75 I83 L137 H144 L162 I167	I74-F165 HydrophobicContact CG2-CB 4.06Å; V75-F165 HydrophobicContact CG2-CB 4.18Å; V75-F165 HydrophobicContact CG2-CD2 3.77Å; V75-F165 HydrophobicContact CG2-CG 4.36Å; I83-F165 HydrophobicContact CB-CZ 4.06Å; I83-F165 HydrophobicContact CD1-CE1 4.32Å; I83-F165 HydrophobicContact CD1-CZ 4.33Å; I83-F165 HydrophobicContact CG1-CE1 4.17Å; I83-F165 HydrophobicContact CG1-CZ 3.85Å; I83-F165 HydrophobicContact CG2-CE1 4.44Å; I83-F165 HydrophobicContact CG2-CE2 3.83Å; I83-F165 HydrophobicContact CG2-CZ 3.51Å; L137-F165 HydrophobicContact CD1-CD1 3.96Å; L137-F165 HydrophobicContact CD1-CE1 3.84Å; L137-F165 HydrophobicContact CD2-CD1 4.44Å; H144-F165 AromaticContact CD2-CD1 3.52Å; H144-F165 AromaticContact CD2-CE1 3.63Å; H144-F165 AromaticContact NE2-CD1 3.65Å; H144-F165 AromaticContact NE2-CE1 3.69Å; L162-F165 VanDerWaalsContact C-CZ 3.5Å; L162-F165 HydrophobicContact CB-CE1 3.67Å; L162-F165 HydrophobicContact CB-CZ 3.62Å; L162-F165 HydrophobicContact CD1-CE1 4.46Å; L162-F165 WeakPolarHBondContact O-CE2 3.44Å; L162-F165 WeakPolarHBondContact O-CZ 3.32Å; F165-I167 VanDerWaalsContact C-N 3.34Å; F165-I167 PolarHBondContact O-N 2.9Å
166	G	53.6	Low	65.1	Low	3 Å²	3	33.4 Å²	33.4	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	83.8	-28.4	135.7	0	0	0	0	0	118.1	I143 H144 R145 D164	I143-G166 WeakPolarHBondContact O-CA 3.1Å; H144-G166 WeakPolarHBondContact O-CA 3.27Å; H144-G166 PolarHBondContact O-N 3.21Å; R145-G166 VanDerWaalsContact CD-O 3.32Å; R145-G166 WeakPolarHBondContact CD-O 3.43Å; R145-G166 PolarHBondContact NH1-O 3.48Å; D164-G166 PolarHBondContact O-N 3.19Å
167	I	49.1	Very low	62.7	Low	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.			trans	-119	-11.1	-170	-32.9	-161.4	0	0	0	114.4	I67 Q70 E71 I74 F165 A169 Q170 I171	I67-I167 HydrophobicContact CG2-CG2 3.33Å; Q70-I167 HydrophobicContact CB-CD1 3.42Å; Q70-I167 VanDerWaalsContact CB-CD1 3.42Å; Q70-I167 HydrophobicContact CG-CD1 3.54Å; E71-I167 HydrophobicContact CB-CD1 4.28Å; E71-I167 HydrophobicContact CB-CG1 4.41Å; I74-I167 HydrophobicContact CD1-CD1 3.77Å; I74-I167 HydrophobicContact CD1-CG1 3.99Å; F165-I167 VanDerWaalsContact C-N 3.34Å; F165-I167 PolarHBondContact O-N 2.9Å; I167-A169 PolarHBondContact O-N 3.42Å; I167-Q170 HydrophobicContact CG2-CB 3.95Å; I167-Q170 PolarHBondContact O-N 2.93Å; I167-I171 HydrophobicContact CB-CD1 4.47Å; I167-I171 HydrophobicContact CG2-CG1 4.26Å; I167-I171 WeakPolarHBondContact O-CG1 3.42Å; I167-I171 PolarHBondContact O-N 2.87Å
168	S	48	Very low	60.1	Low	7 Å²	7	43.1 Å²	43.1	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-43.5	-39	170	-49.8	0	0	0	0	113.2	Y37 T172	Y37-S168 PolarHBondContact OH-O 3.27Å; Y37-S168 VanDerWaalsContact OH-O 3.14Å; S168-T172 VanDerWaalsContact O-CB 3.27Å; S168-T172 WeakPolarHBondContact O-CB 3.14Å; S168-T172 PolarHBondContact O-N 2.88Å; S168-T172 PolarHBondContact O-OG1 2.65Å
169	A	42.2	Very low	57.2	Low	33 Å²	33	50.9 Å²	50.9	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-67.8	-34.5	176.5	0	0	0	0	0	115	I167 A173	I167-A169 PolarHBondContact O-N 3.42Å; A169-A173 WeakPolarHBondContact O-CB 3.36Å; A169-A173 PolarHBondContact O-N 3.46Å
170	Q	41	Very low	54.4	Low	81 Å²	81	51.8 Å²	51.8	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-86.7	-34.7	176.2	-75.2	-179.5	-106.7	0	0	112.2	I67 I167 T172 A173 T174	I67-Q170 HydrophobicContact CG2-CB 4.27Å; I167-Q170 HydrophobicContact CG2-CB 3.95Å; I167-Q170 PolarHBondContact O-N 2.93Å; Q170-T172 VanDerWaalsContact C-N 3.32Å; Q170-A173 PolarHBondContact O-N 2.78Å; Q170-T174 PolarHBondContact O-N 3.05Å; Q170-T174 PolarHBondContact O-OG1 2.91Å
171	I	41.2	Very low	51.9	Low	13 Å²	13	56.8 Å²	56.8	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-48.6	167.7	-61.2	171.8	0	0	0	108.7	Y37 I67 I167 A173 T174 L175	Y37-I171 HydrophobicContact CD1-CG2 3.89Å; Y37-I171 HydrophobicContact CE1-CB 4.21Å; Y37-I171 HydrophobicContact CE1-CG2 3.67Å; I67-I171 HydrophobicContact CB-CG1 4.34Å; I67-I171 HydrophobicContact CG2-CB 4.37Å; I67-I171 HydrophobicContact CG2-CD1 4.45Å; I67-I171 HydrophobicContact CG2-CG1 3.39Å; I167-I171 HydrophobicContact CB-CD1 4.47Å; I167-I171 HydrophobicContact CG2-CG1 4.26Å; I167-I171 WeakPolarHBondContact O-CG1 3.42Å; I167-I171 PolarHBondContact O-N 2.87Å; I171-A173 PolarHBondContact O-N 2.82Å; I171-T174 PolarHBondContact O-N 2.89Å; I171-L175 HydrophobicContact CG2-CD1 4.05Å; I171-L175 PolarHBondContact O-N 2.86Å
172	T	39.8	Very low	49.5	Very low	16 Å²	16	59.9 Å²	59.9	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-50.3	172.9	-53.6	0	0	0	0	110.9	Y37 S168 Q170 T174 L175 A176 F181	Y37-T172 PolarHBondContact OH-OG1 2.83Å; S168-T172 VanDerWaalsContact O-CB 3.27Å; S168-T172 WeakPolarHBondContact O-CB 3.14Å; S168-T172 PolarHBondContact O-N 2.88Å; S168-T172 PolarHBondContact O-OG1 2.65Å; Q170-T172 VanDerWaalsContact C-N 3.32Å; T172-T174 PolarHBondContact O-N 3.34Å; T172-T174 VanDerWaalsContact O-N 3.15Å; T172-L175 PolarHBondContact O-N 2.89Å; T172-A176 HydrophobicContact CG2-CB 4.18Å; T172-A176 WeakPolarHBondContact O-CA 3.42Å; T172-A176 WeakPolarHBondContact O-CB 3.43Å; T172-A176 PolarHBondContact O-N 3.46Å; T172-F181 WeakPolarHBondContact CG2-O 3.5Å
173	A	40.5	Very low	47.6	Very low	54 Å²	54	61 Å²	61	45%	0.446	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-30.6	-177.6	0	0	0	0	0	114.1	A169 Q170 I171	A169-A173 WeakPolarHBondContact O-CB 3.36Å; A169-A173 PolarHBondContact O-N 3.46Å; Q170-A173 PolarHBondContact O-N 2.78Å; I171-A173 PolarHBondContact O-N 2.82Å
174	T	40	Very low	46.4	Very low	50 Å²	50	62.4 Å²	62.4	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-86.4	-46.1	177.9	-58.7	0	0	0	0	112.5	D64 I67 Q170 I171 T172 R177	D64-T174 HydrophobicContact CB-CG2 4.19Å; I67-T174 HydrophobicContact CD1-CG2 4Å; I67-T174 VanDerWaalsContact CD1-OG1 3.26Å; I67-T174 WeakPolarHBondContact CD1-OG1 3.32Å; Q170-T174 PolarHBondContact O-N 3.05Å; Q170-T174 PolarHBondContact O-OG1 2.91Å; I171-T174 PolarHBondContact O-N 2.89Å; T172-T174 PolarHBondContact O-N 3.34Å; T172-T174 VanDerWaalsContact O-N 3.15Å; T174-R177 WeakPolarHBondContact O-CB 3.38Å
175	L	35.9	Very low	46.3	Very low	76 Å²	76	59.7 Å²	59.7	40%	0.398	31%	0.313	S	S	.	.	H	α-helix	trans	-72	-31.9	177.8	-89.8	75.3	0	0	0	113.1	I171 T172 R177 R178	I171-L175 HydrophobicContact CG2-CD1 4.05Å; I171-L175 PolarHBondContact O-N 2.86Å; T172-L175 PolarHBondContact O-N 2.89Å; L175-R177 PolarHBondContact O-N 2.84Å; L175-R178 PolarHBondContact O-N 2.8Å
176	A	39.9	Very low	47	Very low	33 Å²	33	59.8 Å²	59.8	27%	0.273	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.7	-10.6	178.8	0	0	0	0	0	113.9	T172 R178 M179 S180	T172-A176 HydrophobicContact CG2-CB 4.18Å; T172-A176 WeakPolarHBondContact O-CA 3.42Å; T172-A176 WeakPolarHBondContact O-CB 3.43Å; T172-A176 PolarHBondContact O-N 3.46Å; A176-R178 PolarHBondContact O-N 3.13Å; A176-R178 VanDerWaalsContact O-N 3.07Å; A176-M179 PolarHBondContact O-N 2.94Å; A176-S180 WeakPolarHBondContact CB-O 3.29Å
177	R	40.7	Very low	48.8	Very low	216 Å²	216	60 Å²	60	82%	0.815	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57	-13.8	162	-71.6	-179	164.1	173.7	-4.3	112.8	T174 L175	T174-R177 WeakPolarHBondContact O-CB 3.38Å; L175-R177 PolarHBondContact O-N 2.84Å
178	R	37.9	Very low	50.6	Low	168 Å²	168	61.5 Å²	61.5	63%	0.634	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-131.8	50.8	176.4	-57	-169	-174.7	-157.4	10.1	112.8	E62 L175 A176	E62-R178 VanDerWaalsContact CD-CZ 3.45Å; E62-R178 VanDerWaalsContact CD-NH2 3.26Å; E62-R178 IonicContact OE1-CZ 2.67Å; E62-R178 IonicContact OE1-NH1 2.9Å; E62-R178 PolarHBondContact OE1-NH1 2.67Å; E62-R178 IonicContact OE1-NH2 2.95Å; E62-R178 PolarHBondContact OE1-NH2 3.03Å; E62-R178 IonicContact OE2-CZ 3.99Å; E62-R178 VanDerWaalsContact OE2-CZ 3.27Å; E62-R178 IonicContact OE2-NH1 2.74Å; E62-R178 PolarHBondContact OE2-NH1 3.11Å; E62-R178 IonicContact OE2-NH2 3.09Å; L175-R178 PolarHBondContact O-N 2.8Å; A176-R178 PolarHBondContact O-N 3.13Å; A176-R178 VanDerWaalsContact O-N 3.07Å
179	M	31.5	Very low	52.4	Low	163 Å²	163	61.1 Å²	61.1	80%	0.803	32%	0.318	S	S	*	.	S	Bend	trans	97.8	144.4	170.3	-54.3	-65.1	172.6	0	0	117.5	A176	A176-M179 PolarHBondContact O-N 2.94Å
180	S	37.1	Very low	54.5	Low	88 Å²	88	59.9 Å²	59.9	62%	0.615	31%	0.307	S	S	*	.	S	Bend	trans	69.4	155.9	176.7	77.6	0	0	0	0	117	A176	A176-S180 WeakPolarHBondContact CB-O 3.29Å
181	F	44.9	Very low	56.4	Low	107 Å²	107	57.2 Å²	57.2	47%	0.469	29%	0.294	S	S	.	.			trans	-97.7	166.7	-154.1	-71.8	-80.4	0	0	0	116	T172 G183 L230	T172-F181 WeakPolarHBondContact CG2-O 3.5Å; F181-G183 PolarHBondContact O-N 2.81Å; F181-G183 VanDerWaalsContact O-N 3.15Å; F181-L230 HydrophobicContact CD1-CD1 4.45Å; F181-L230 HydrophobicContact CD1-CD2 3.8Å; F181-L230 HydrophobicContact CD1-CG 4.4Å; F181-L230 HydrophobicContact CE1-CD1 3.86Å; F181-L230 HydrophobicContact CE1-CD2 3.92Å; F181-L230 HydrophobicContact CE1-CG 4.29Å; F181-L230 HydrophobicContact CE2-CD1 4.46Å; F181-L230 HydrophobicContact CG-CD2 4.45Å; F181-L230 HydrophobicContact CZ-CD1 3.87Å
182	I	45.2	Very low	58	Low	75 Å²	75	57.9 Å²	57.9	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-63.8	106.3	-175.2	-55.8	171.3	0	0	0	112.6
183	G	53.4	Low	59.4	Low	25 Å²	25	58.2 Å²	58.2	26%	0.258	30%	0.303	S	S	.	.	S	Bend	trans	63.2	-155	161.7	0	0	0	0	0	115.4	F181 P185	F181-G183 PolarHBondContact O-N 2.81Å; F181-G183 VanDerWaalsContact O-N 3.15Å; G183-P185 WeakPolarHBondContact O-CD 3.36Å
184	T	64.1	Low	60.5	Low	37 Å²	37	56.3 Å²	56.3	23%	0.227	29%	0.288	C	S	.	.			trans	-119	83.1	179.4	-35.1	0	0	0	0	109.7	K148 Y186 W187	K148-T184 PolarHBondContact NZ-OG1 2.78Å; T184-Y186 VanDerWaalsContact C-N 3.27Å; T184-Y186 HydrophobicContact CG2-CD2 4.26Å; T184-Y186 PolarHBondContact O-N 2.87Å; T184-W187 HydrophobicContact CG2-CE3 3.63Å; T184-W187 HydrophobicContact CG2-CH2 4.49Å; T184-W187 HydrophobicContact CG2-CZ3 3.37Å; T184-W187 PolarHBondContact O-N 2.77Å
185	P	75.4	Confident	61.5	Low	2 Å²	2	56.5 Å²	56.5	1%	0.013	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-69.1	-15.4	-156.5	23.2	-33.8	0	0	0	116.5	G183 W187 M188 P229 L233	G183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-W187 PolarHBondContact O-N 3.29Å; P185-M188 HydrophobicContact CB-SD 3.85Å; P185-M188 PolarHBondContact O-N 2.82Å; P185-M188 VanDerWaalsContact O-N 3.12Å; P185-P229 HydrophobicContact CG-CB 3.62Å; P185-L233 HydrophobicContact CB-CD1 4.25Å; P185-L233 HydrophobicContact CB-CD2 3.67Å; P185-L233 HydrophobicContact CB-CG 3.75Å; P185-L233 HydrophobicContact CG-CG 4.38Å
186	Y	86	Confident	62	Low	7 Å²	7	61.7 Å²	61.7	3%	0.027	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.9	175.8	-43.8	-78.4	0	0	0	113.1	T184 P222 L224 F225 V227 P229 V232 M665	T184-Y186 VanDerWaalsContact C-N 3.27Å; T184-Y186 HydrophobicContact CG2-CD2 4.26Å; T184-Y186 PolarHBondContact O-N 2.87Å; Y186-P222 HydrophobicContact CD2-CG 4.45Å; Y186-P222 HydrophobicContact CG-CG 4.05Å; Y186-L224 WeakPolarHBondContact CD1-O 3.28Å; Y186-L224 WeakPolarHBondContact CE1-O 3.31Å; Y186-F225 AromaticContact CD2-CD2 3.8Å; Y186-F225 HydrophobicContact CD2-CD2 3.8Å; Y186-F225 HydrophobicContact CD2-CE2 4.19Å; Y186-F225 HydrophobicContact CE1-CD2 4.5Å; Y186-F225 AromaticContact CE2-CD2 3.77Å; Y186-F225 HydrophobicContact CE2-CD2 3.77Å; Y186-F225 HydrophobicContact CE2-CE2 4.06Å; Y186-F225 HydrophobicContact CG-CD2 4.18Å; Y186-V227 VanDerWaalsContact CE1-O 3.3Å; Y186-V227 WeakPolarHBondContact CE1-O 3.24Å; Y186-V227 PolarHBondContact OH-O 3.19Å; Y186-V227 VanDerWaalsContact OH-O 3.09Å; Y186-P229 WeakPolarHBondContact OH-CD 3.29Å; Y186-V232 HydrophobicContact CD1-CG1 4.39Å; Y186-V232 HydrophobicContact CD1-CG2 3.9Å; Y186-V232 HydrophobicContact CE1-CG2 3.75Å; Y186-M665 HydrophobicContact CE2-SD 3.88Å
187	W	90.8	Very high	62.1	Low	8 Å²	8	66.1 Å²	66.1	3%	0.03	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-93.8	-12.6	176.9	-68.8	-101.4	0	0	0	114.2	I147 K148 T184 P185 S209 I212 E216 P222 F225	I147-W187 VanDerWaalsContact O-CD1 3.24Å; K148-W187 HydrophobicContact CB-CD2 3.76Å; K148-W187 HydrophobicContact CB-CE3 4.49Å; K148-W187 HydrophobicContact CB-CG 3.81Å; K148-W187 HydrophobicContact CB-CZ2 4.08Å; T184-W187 HydrophobicContact CG2-CE3 3.63Å; T184-W187 HydrophobicContact CG2-CH2 4.49Å; T184-W187 HydrophobicContact CG2-CZ3 3.37Å; T184-W187 PolarHBondContact O-N 2.77Å; P185-W187 PolarHBondContact O-N 3.29Å; W187-S209 WeakPolarHBondContact O-CB 3.28Å; W187-S209 PolarHBondContact O-OG 3.02Å; W187-I212 HydrophobicContact CB-CG2 4.38Å; W187-I212 HydrophobicContact CD2-CG2 4.4Å; W187-I212 HydrophobicContact CG-CB 4.39Å; W187-I212 HydrophobicContact CG-CG2 3.85Å; W187-E216 VanDerWaalsContact CZ2-CD 3.45Å; W187-E216 HydrophobicContact CZ2-CG 4.09Å; W187-E216 WeakPolarHBondContact CZ2-OE1 3.37Å; W187-E216 PolarHBondContact NE1-OE2 2.89Å; W187-P222 HydrophobicContact CD2-CB 4.29Å; W187-P222 HydrophobicContact CD2-CG 4.42Å; W187-P222 HydrophobicContact CE3-CG 4.23Å; W187-P222 HydrophobicContact CH2-CB 4.25Å; W187-P222 HydrophobicContact CH2-CG 3.49Å; W187-P222 VanDerWaalsContact CH2-CG 3.49Å; W187-P222 HydrophobicContact CZ2-CB 3.98Å; W187-P222 HydrophobicContact CZ2-CG 3.69Å; W187-P222 HydrophobicContact CZ3-CB 4.49Å; W187-P222 HydrophobicContact CZ3-CG 3.76Å; W187-F225 HydrophobicContact CH2-CE2 4.25Å; W187-F225 HydrophobicContact CZ3-CE2 4.41Å
188	M	86.7	Confident	62	Low	32 Å²	32	64 Å²	64	16%	0.158	33%	0.326	C	S	.	.	S	Bend	trans	-66.6	154.5	-179.2	-69.6	172.8	70.1	0	0	111.9	P185 V192 W208 L233 M236	P185-M188 HydrophobicContact CB-SD 3.85Å; P185-M188 PolarHBondContact O-N 2.82Å; P185-M188 VanDerWaalsContact O-N 3.12Å; M188-V192 HydrophobicContact CE-CB 4.14Å; M188-V192 HydrophobicContact CE-CG1 3.54Å; M188-W208 VanDerWaalsContact O-CD1 3.31Å; M188-W208 PolarHBondContact O-NE1 3.05Å; M188-L233 HydrophobicContact CE-CD2 4.28Å; M188-L233 HydrophobicContact SD-CD2 4.18Å; M188-M236 WeakPolarHBondContact O-CE 3.31Å
189	A	86.6	Confident	62	Low	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.323	C	S	.	.			trans	-87.1	150.9	174.2	0	0	0	0	0	112.1	E191 V192 A193 C205 W208	A189-E191 WeakPolarHBondContact CB-OE1 3.33Å; A189-E191 PolarHBondContact O-N 3.26Å; A189-E191 VanDerWaalsContact O-N 3.16Å; A189-V192 HydrophobicContact CB-CG2 4.07Å; A189-V192 WeakPolarHBondContact O-CA 3.35Å; A189-V192 WeakPolarHBondContact O-CB 3.41Å; A189-V192 PolarHBondContact O-N 3.18Å; A189-A193 PolarHBondContact O-N 2.93Å; A189-A193 VanDerWaalsContact O-N 3.08Å; A189-C205 HydrophobicContact CB-CB 4.08Å; A189-W208 HydrophobicContact CB-CB 3.75Å; A189-W208 HydrophobicContact CB-CD2 4.22Å; A189-W208 HydrophobicContact CB-CG 3.65Å
190	P	85.6	Confident	63.4	Low	6 Å²	6	53.8 Å²	53.8	4%	0.039	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.6	-174.5	-25.4	36.6	0	0	0	114.9	A194 W208 M236 Y241 R266	P190-A194 WeakPolarHBondContact O-CB 3.44Å; P190-A194 PolarHBondContact O-N 2.96Å; P190-W208 HydrophobicContact CG-CE3 4.45Å; P190-W208 HydrophobicContact CG-CH2 3.57Å; P190-W208 HydrophobicContact CG-CZ2 3.71Å; P190-W208 HydrophobicContact CG-CZ3 3.96Å; P190-M236 HydrophobicContact CB-CB 4.45Å; P190-M236 HydrophobicContact CG-CE 4.13Å; P190-Y241 HydrophobicContact CG-CD1 4.4Å; P190-Y241 HydrophobicContact CG-CE1 4.03Å; P190-R266 HydrophobicContact CB-CG 4.1Å; P190-R266 HydrophobicContact CG-CG 4.15Å
191	E	82.1	Confident	65	Low	25 Å²	25	52.8 Å²	52.8	12%	0.117	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-33.3	171.1	67.2	-78.7	-177.1	0	0	113.1	A189 A194 V195 P268 R271	A189-E191 WeakPolarHBondContact CB-OE1 3.33Å; A189-E191 PolarHBondContact O-N 3.26Å; A189-E191 VanDerWaalsContact O-N 3.16Å; E191-A194 PolarHBondContact O-N 3.17Å; E191-V195 PolarHBondContact O-N 3.05Å; E191-P268 HydrophobicContact CB-CG 4.32Å; E191-P268 HydrophobicContact CG-CB 4.42Å; E191-P268 HydrophobicContact CG-CG 4.07Å; E191-R271 IonicContact OE1-CZ 3.91Å; E191-R271 IonicContact OE1-NH1 3.24Å; E191-R271 PolarHBondContact OE1-NH1 3.5Å; E191-R271 IonicContact OE1-NH2 3.94Å; E191-R271 PolarHBondContact OE1-NH2 3.09Å; E191-R271 IonicContact OE2-CZ 2.89Å; E191-R271 IonicContact OE2-NH1 2.72Å; E191-R271 IonicContact OE2-NH2 3.39Å; E191-R271 PolarHBondContact OE2-NH2 3.49Å
192	V	74.9	Confident	66.8	Low	27 Å²	27	50.1 Å²	50.1	16%	0.164	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70	-39.7	175.8	-168.2	0	0	0	0	110.1	M188 A189 A194 V195 Y201 C205	M188-V192 HydrophobicContact CE-CB 4.14Å; M188-V192 HydrophobicContact CE-CG1 3.54Å; A189-V192 HydrophobicContact CB-CG2 4.07Å; A189-V192 WeakPolarHBondContact O-CA 3.35Å; A189-V192 WeakPolarHBondContact O-CB 3.41Å; A189-V192 PolarHBondContact O-N 3.18Å; V192-A194 PolarHBondContact O-N 3.17Å; V192-A194 VanDerWaalsContact O-N 3.14Å; V192-V195 VanDerWaalsContact O-CG2 3.26Å; V192-V195 WeakPolarHBondContact O-CG2 3.28Å; V192-V195 PolarHBondContact O-N 2.82Å; V192-Y201 HydrophobicContact CG1-CD1 4.16Å; V192-Y201 HydrophobicContact CG1-CE1 4.09Å; V192-Y201 HydrophobicContact CG1-CG 4.49Å; V192-Y201 HydrophobicContact CG2-CD1 4.26Å; V192-Y201 HydrophobicContact CG2-CD2 3.97Å; V192-Y201 HydrophobicContact CG2-CG 3.82Å; V192-C205 HydrophobicContact CG2-CB 3.59Å
193	A	68	Low	68.7	Low	23 Å²	23	49.8 Å²	49.8	19%	0.19	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-66	-7.4	172.3	0	0	0	0	0	114.3	A189 L233 M236	A189-A193 PolarHBondContact O-N 2.93Å; A189-A193 VanDerWaalsContact O-N 3.08Å; A193-L233 HydrophobicContact CB-CD2 3.58Å; A193-M236 HydrophobicContact CB-CB 4.19Å; A193-M236 HydrophobicContact CB-CE 4.26Å; A193-M236 HydrophobicContact CB-SD 4.47Å
194	A	63.8	Low	70.6	Confident	15 Å²	15	49.4 Å²	49.4	12%	0.124	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-116.7	9.5	-178	0	0	0	0	0	113.8	P190 E191 V192 E196 I197 K198	P190-A194 WeakPolarHBondContact O-CB 3.44Å; P190-A194 PolarHBondContact O-N 2.96Å; E191-A194 PolarHBondContact O-N 3.17Å; V192-A194 PolarHBondContact O-N 3.17Å; V192-A194 VanDerWaalsContact O-N 3.14Å; A194-E196 PolarHBondContact O-N 3.26Å; A194-I197 PolarHBondContact O-N 3.22Å; A194-K198 PolarHBondContact O-N 2.67Å; A194-K198 VanDerWaalsContact O-N 3.15Å
195	V	61.2	Low	71.9	Confident	54 Å²	54	47.9 Å²	47.9	33%	0.327	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-43	-172.6	169.7	0	0	0	0	112.7	E191 V192 I197 K198 G199 Y201	E191-V195 PolarHBondContact O-N 3.05Å; V192-V195 VanDerWaalsContact O-CG2 3.26Å; V192-V195 WeakPolarHBondContact O-CG2 3.28Å; V192-V195 PolarHBondContact O-N 2.82Å; V195-I197 PolarHBondContact O-N 2.85Å; V195-K198 PolarHBondContact O-N 2.86Å; V195-G199 PolarHBondContact O-N 2.89Å; V195-Y201 HydrophobicContact CG2-CD1 3.57Å; V195-Y201 HydrophobicContact CG2-CE1 4.12Å
196	E	46.5	Very low	72.7	Confident	184 Å²	184	47.8 Å²	47.8	86%	0.86	27%	0.267	S	S	*	.	H	α-helix	trans	-57.4	-22.1	177.8	-61.8	-176	150.3	0	0	113.6	A194	A194-E196 PolarHBondContact O-N 3.26Å
197	I	41	Very low	73.2	Confident	126 Å²	126	47.4 Å²	47.4	65%	0.646	27%	0.265	S	S	*	.	H	α-helix	trans	-104.4	-26.8	-173.9	-53.7	177.1	0	0	0	111.7	A194 V195	A194-I197 PolarHBondContact O-N 3.22Å; V195-I197 PolarHBondContact O-N 2.85Å
198	K	39.1	Very low	73.5	Confident	173 Å²	173	47.1 Å²	47.1	75%	0.752	26%	0.264	S	S	*	.	H	α-helix	trans	-134.5	-15.5	-165.5	-64.7	-173.7	179.1	175.2	0	116.8	A194 V195	A194-K198 PolarHBondContact O-N 2.67Å; A194-K198 VanDerWaalsContact O-N 3.15Å; V195-K198 PolarHBondContact O-N 2.86Å
199	G	38.8	Very low	73.9	Confident	57 Å²	57	45.8 Å²	45.8	59%	0.588	26%	0.258	S	S	*	.			trans	73.5	120.8	176.9	0	0	0	0	0	115.1	V195	V195-G199 PolarHBondContact O-N 2.89Å
200	G	60.4	Low	74.4	Confident	59 Å²	59	45.8 Å²	45.8	61%	0.608	26%	0.258	S	S	*	.			trans	83.5	139.4	167.2	0	0	0	0	0	116.3
201	Y	70.3	Confident	75	Confident	66 Å²	66	45.5 Å²	45.5	26%	0.259	26%	0.256	S	S	.	.			trans	-137.1	164.6	163.9	60.6	-86.6	0	0	0	108.1	R145 V192 V195 C205	R145-Y201 VanDerWaalsContact CD-OH 3.23Å; R145-Y201 WeakPolarHBondContact CD-OH 3.38Å; R145-Y201 HydrophobicContact CG-CE2 4.3Å; R145-Y201 PolarHBondContact NE-OH 3.47Å; V192-Y201 HydrophobicContact CG1-CD1 4.16Å; V192-Y201 HydrophobicContact CG1-CE1 4.09Å; V192-Y201 HydrophobicContact CG1-CG 4.49Å; V192-Y201 HydrophobicContact CG2-CD1 4.26Å; V192-Y201 HydrophobicContact CG2-CD2 3.97Å; V192-Y201 HydrophobicContact CG2-CG 3.82Å; V195-Y201 HydrophobicContact CG2-CD1 3.57Å; V195-Y201 HydrophobicContact CG2-CE1 4.12Å; Y201-C205 HydrophobicContact CD2-CB 4.21Å
202	N	82.6	Confident	75.8	Confident	52 Å²	52	44.4 Å²	44.4	28%	0.278	25%	0.251	S	S	.	.			trans	-126.1	-179.9	-179.6	78.1	-51	0	0	0	111.3	L204 C205	N202-L204 WeakPolarHBondContact ND2-CD1 3.45Å; N202-L204 WeakPolarHBondContact ND2-CG 3.2Å; N202-L204 PolarHBondContact O-N 3.37Å; N202-C205 PolarHBondContact O-N 2.75Å; N202-C205 PolarHBondContact O-SG 2.72Å
203	E	86	Confident	76.8	Confident	68 Å²	68	43.1 Å²	43.1	32%	0.318	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-23.3	-174.1	69.8	-68.3	153.7	0	0	114.8	H138 I143 C205 D206	H138-E203 HydrophobicContact CB-CB 4.34Å; H138-E203 HydrophobicContact CB-CG 4.13Å; H138-E203 PolarHBondContact CE1-O 2.85Å; H138-E203 PolarHBondContact NE2-O 2.87Å; I143-E203 HydrophobicContact CD1-CB 4.4Å; I143-E203 HydrophobicContact CG1-CB 4.05Å; E203-C205 PolarHBondContact O-N 2.72Å; E203-C205 VanDerWaalsContact O-N 3.1Å; E203-D206 PolarHBondContact O-N 2.89Å; E203-D206 VanDerWaalsContact O-N 3.11Å
204	L	93	Very high	78.3	Confident	17 Å²	17	42 Å²	42	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-13.2	175.3	-57.3	176.3	0	0	0	113.6	N202 D206 V207 W208 P268 R271	N202-L204 WeakPolarHBondContact ND2-CD1 3.45Å; N202-L204 WeakPolarHBondContact ND2-CG 3.2Å; N202-L204 PolarHBondContact O-N 3.37Å; L204-D206 VanDerWaalsContact C-N 3.29Å; L204-D206 PolarHBondContact O-N 3.39Å; L204-V207 PolarHBondContact O-N 3.21Å; L204-W208 PolarHBondContact O-N 3.09Å; L204-P268 VanDerWaalsContact CD1-O 3.23Å; L204-P268 WeakPolarHBondContact CD1-O 3.07Å; L204-R271 VanDerWaalsContact O-CD 3.3Å; L204-R271 WeakPolarHBondContact O-CD 3.29Å; L204-R271 PolarHBondContact O-NH1 3.23Å
205	C	90.8	Very high	79.9	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-39.2	170.6	66.7	0	0	0	0	111.7	I143 A189 V192 Y201 N202 E203 V207 W208 S209	I143-C205 VanDerWaalsContact CG2-SG 3.57Å; A189-C205 HydrophobicContact CB-CB 4.08Å; V192-C205 HydrophobicContact CG2-CB 3.59Å; Y201-C205 HydrophobicContact CD2-CB 4.21Å; N202-C205 PolarHBondContact O-N 2.75Å; N202-C205 PolarHBondContact O-SG 2.72Å; E203-C205 PolarHBondContact O-N 2.72Å; E203-C205 VanDerWaalsContact O-N 3.1Å; C205-V207 VanDerWaalsContact C-N 3.26Å; C205-V207 PolarHBondContact O-N 2.79Å; C205-W208 WeakPolarHBondContact O-CB 3.39Å; C205-W208 PolarHBondContact O-N 3.42Å; C205-W208 VanDerWaalsContact O-N 3.11Å; C205-S209 PolarHBondContact O-N 2.6Å; C205-S209 VanDerWaalsContact O-N 3.13Å; C205-S209 PolarHBondContact O-OG 3.13Å
206	D	92.7	Very high	81.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-38.3	178.1	-63	-26.2	0	0	0	110.8	L134 H138 I143 H144 R145 I147 E203 L204 W208 S209 V210	L134-D206 HydrophobicContact CD1-CB 4.11Å; L134-D206 HydrophobicContact CD2-CB 3.74Å; H138-D206 IonicContact CD2-OD2 3.37Å; H138-D206 IonicContact CE1-OD2 2.85Å; H138-D206 IonicContact NE2-OD2 3.79Å; H138-D206 PolarHBondContact NE2-OD2 3.13Å; I143-D206 WeakPolarHBondContact CG2-OD1 3.44Å; I143-D206 WeakPolarHBondContact CG2-OD2 3.28Å; H144-D206 PolarHBondContact N-OD1 3.42Å; H144-D206 PolarHBondContact N-OD2 2.89Å; R145-D206 PolarHBondContact N-OD1 2.75Å; I147-D206 HydrophobicContact CG1-CB 4.5Å; E203-D206 PolarHBondContact O-N 2.89Å; E203-D206 VanDerWaalsContact O-N 3.11Å; L204-D206 VanDerWaalsContact C-N 3.29Å; L204-D206 PolarHBondContact O-N 3.39Å; D206-W208 VanDerWaalsContact C-N 3.32Å; D206-W208 PolarHBondContact O-N 3.16Å; D206-S209 CarbonylContact O-C 3.53Å; D206-S209 WeakPolarHBondContact O-CA 3.43Å; D206-S209 WeakPolarHBondContact O-CB 3.42Å; D206-S209 PolarHBondContact O-N 2.82Å; D206-V210 WeakPolarHBondContact O-CG2 3.15Å; D206-V210 PolarHBondContact O-N 3.16Å
207	V	97.3	Very high	84	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-36.2	178	-177.8	0	0	0	0	111.8	L204 C205 G211 M263 R271 M277	L204-V207 PolarHBondContact O-N 3.21Å; C205-V207 VanDerWaalsContact C-N 3.26Å; C205-V207 PolarHBondContact O-N 2.79Å; V207-G211 PolarHBondContact O-N 2.77Å; V207-M263 HydrophobicContact CG1-CB 4.15Å; V207-M263 HydrophobicContact CG1-CG 3.78Å; V207-M263 HydrophobicContact CG1-SD 4.37Å; V207-M263 WeakPolarHBondContact O-CB 3.33Å; V207-R271 HydrophobicContact CG1-CG 4.4Å; V207-M277 HydrophobicContact CG1-CG 4.09Å
208	W	96.3	Very high	86.6	Confident	1 Å²	1	24.1 Å²	24.1	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-43.2	171.7	171.5	-75.9	0	0	0	110.8	M188 A189 P190 L204 C205 D206 V210 G211 I212 Y241 P243 L264	M188-W208 VanDerWaalsContact O-CD1 3.31Å; M188-W208 PolarHBondContact O-NE1 3.05Å; A189-W208 HydrophobicContact CB-CB 3.75Å; A189-W208 HydrophobicContact CB-CD2 4.22Å; A189-W208 HydrophobicContact CB-CG 3.65Å; P190-W208 HydrophobicContact CG-CE3 4.45Å; P190-W208 HydrophobicContact CG-CH2 3.57Å; P190-W208 HydrophobicContact CG-CZ2 3.71Å; P190-W208 HydrophobicContact CG-CZ3 3.96Å; L204-W208 PolarHBondContact O-N 3.09Å; C205-W208 WeakPolarHBondContact O-CB 3.39Å; C205-W208 PolarHBondContact O-N 3.42Å; C205-W208 VanDerWaalsContact O-N 3.11Å; D206-W208 VanDerWaalsContact C-N 3.32Å; D206-W208 PolarHBondContact O-N 3.16Å; W208-V210 VanDerWaalsContact C-N 3.34Å; W208-V210 PolarHBondContact O-N 3.15Å; W208-G211 CarbonylContact O-C 3.5Å; W208-G211 VanDerWaalsContact O-CA 3.27Å; W208-G211 WeakPolarHBondContact O-CA 3.49Å; W208-G211 PolarHBondContact O-N 2.82Å; W208-I212 PolarHBondContact O-N 3Å; W208-Y241 HydrophobicContact CH2-CE1 4.13Å; W208-Y241 HydrophobicContact CZ2-CE1 4.36Å; W208-P243 HydrophobicContact CH2-CB 3.8Å; W208-P243 HydrophobicContact CH2-CG 4.19Å; W208-P243 HydrophobicContact CZ3-CB 4.11Å; W208-P243 HydrophobicContact CZ3-CG 4.28Å; W208-L264 HydrophobicContact CD2-CD2 3.59Å; W208-L264 HydrophobicContact CE3-CB 4.28Å; W208-L264 HydrophobicContact CE3-CD2 3.91Å; W208-L264 HydrophobicContact CG-CD2 3.96Å; W208-L264 HydrophobicContact CH2-CB 4.48Å; W208-L264 HydrophobicContact CH2-CD2 4.39Å; W208-L264 HydrophobicContact CZ2-CD2 4.13Å; W208-L264 VanDerWaalsContact CZ3-C 3.47Å; W208-L264 HydrophobicContact CZ3-CB 4.11Å; W208-L264 HydrophobicContact CZ3-CD2 4.29Å; W208-L264 WeakPolarHBondContact CZ3-O 3.17Å; W208-L264 WeakPolarHBondContact O-CD2 3.45Å
209	S	95.2	Very high	89.1	Confident	5 Å²	5	17.5 Å²	17.5	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-32.4	179.3	-54.9	0	0	0	0	112.7	W187 C205 D206 G211 I212 T213	W187-S209 WeakPolarHBondContact O-CB 3.28Å; W187-S209 PolarHBondContact O-OG 3.02Å; C205-S209 PolarHBondContact O-N 2.6Å; C205-S209 VanDerWaalsContact O-N 3.13Å; C205-S209 PolarHBondContact O-OG 3.13Å; D206-S209 CarbonylContact O-C 3.53Å; D206-S209 WeakPolarHBondContact O-CA 3.43Å; D206-S209 WeakPolarHBondContact O-CB 3.42Å; D206-S209 PolarHBondContact O-N 2.82Å; S209-G211 VanDerWaalsContact C-N 3.32Å; S209-I212 PolarHBondContact O-N 3.41Å; S209-T213 WeakPolarHBondContact O-CB 3.2Å; S209-T213 PolarHBondContact O-N 2.97Å; S209-T213 PolarHBondContact O-OG1 3.07Å
210	V	97.8	Very high	91.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-42.6	165.1	179.3	0	0	0	0	110.6	M130 L131 L134 I147 D206 W208 I212 T213 A214 M263	M130-V210 HydrophobicContact CE-CG1 4.33Å; M130-V210 HydrophobicContact CE-CG2 4.11Å; L131-V210 HydrophobicContact CD1-CG1 4.49Å; L131-V210 HydrophobicContact CD2-CG1 4.46Å; L131-V210 HydrophobicContact CD2-CG2 4.19Å; L131-V210 HydrophobicContact CG-CG1 4.3Å; L134-V210 HydrophobicContact CD1-CG2 3.34Å; I147-V210 HydrophobicContact CG2-CG2 4.03Å; D206-V210 WeakPolarHBondContact O-CG2 3.15Å; D206-V210 PolarHBondContact O-N 3.16Å; W208-V210 VanDerWaalsContact C-N 3.34Å; W208-V210 PolarHBondContact O-N 3.15Å; V210-I212 VanDerWaalsContact C-N 3.32Å; V210-I212 PolarHBondContact O-N 2.9Å; V210-T213 PolarHBondContact O-N 3.14Å; V210-A214 WeakPolarHBondContact O-CB 3.14Å; V210-A214 PolarHBondContact O-N 3.35Å; V210-M263 HydrophobicContact CB-SD 3.95Å; V210-M263 HydrophobicContact CG1-CE 4.31Å; V210-M263 HydrophobicContact CG1-SD 3.68Å
211	G	97.9	Very high	93	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-32.3	175.6	0	0	0	0	0	114.5	V207 W208 S209	V207-G211 PolarHBondContact O-N 2.77Å; W208-G211 CarbonylContact O-C 3.5Å; W208-G211 VanDerWaalsContact O-CA 3.27Å; W208-G211 WeakPolarHBondContact O-CA 3.49Å; W208-G211 PolarHBondContact O-N 2.82Å; S209-G211 VanDerWaalsContact C-N 3.32Å
212	I	97.8	Very high	94.1	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-74.5	-43.4	170.5	-58.9	-61	0	0	0	111	W187 W208 S209 V210 A214 I215 E216 P222 P223 P244 L264	W187-I212 HydrophobicContact CB-CG2 4.38Å; W187-I212 HydrophobicContact CD2-CG2 4.4Å; W187-I212 HydrophobicContact CG-CB 4.39Å; W187-I212 HydrophobicContact CG-CG2 3.85Å; W208-I212 PolarHBondContact O-N 3Å; S209-I212 PolarHBondContact O-N 3.41Å; V210-I212 VanDerWaalsContact C-N 3.32Å; V210-I212 PolarHBondContact O-N 2.9Å; I212-A214 PolarHBondContact O-N 3.08Å; I212-I215 CarbonylContact O-C 3.54Å; I212-I215 WeakPolarHBondContact O-CA 3.14Å; I212-I215 WeakPolarHBondContact O-CB 3.27Å; I212-I215 PolarHBondContact O-N 3.42Å; I212-E216 PolarHBondContact O-N 2.89Å; I212-P222 HydrophobicContact CG2-CB 3.68Å; I212-P223 HydrophobicContact CD1-CG 4.19Å; I212-P244 HydrophobicContact CD1-CG 3.7Å; I212-L264 HydrophobicContact CD1-CD1 4.34Å; I212-L264 HydrophobicContact CD1-CD2 3.74Å; I212-L264 HydrophobicContact CG1-CD2 4.07Å
213	T	97.4	Very high	94.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-35.4	177	-53	0	0	0	0	111.3	M130 I147 S209 V210 I215 E216 L217	M130-T213 HydrophobicContact CE-CG2 4Å; M130-T213 HydrophobicContact SD-CG2 4.42Å; I147-T213 PolarHBondContact O-OG1 3.18Å; S209-T213 WeakPolarHBondContact O-CB 3.2Å; S209-T213 PolarHBondContact O-N 2.97Å; S209-T213 PolarHBondContact O-OG1 3.07Å; V210-T213 PolarHBondContact O-N 3.14Å; T213-I215 VanDerWaalsContact C-N 3.29Å; T213-I215 PolarHBondContact O-N 3.12Å; T213-E216 WeakPolarHBondContact O-CB 3.15Å; T213-E216 PolarHBondContact O-N 2.87Å; T213-L217 HydrophobicContact CG2-CD1 4.33Å; T213-L217 HydrophobicContact CG2-CG 4.37Å; T213-L217 WeakPolarHBondContact O-CG 3.27Å; T213-L217 PolarHBondContact O-N 3.44Å
214	A	98.2	Very high	94.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.5	-32.2	173.4	0	0	0	0	0	113.1	I123 V210 I212 A218 F256 V260	I123-A214 HydrophobicContact CG2-CB 4.43Å; V210-A214 WeakPolarHBondContact O-CB 3.14Å; V210-A214 PolarHBondContact O-N 3.35Å; I212-A214 PolarHBondContact O-N 3.08Å; A214-A218 WeakPolarHBondContact O-CB 3.36Å; A214-F256 HydrophobicContact CB-CE2 4.17Å; A214-V260 HydrophobicContact CB-CG2 4.05Å
215	I	97.5	Very high	94.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-77.2	-40.5	171.8	-60.9	172.2	0	0	0	110.4	I212 T213 L217 A218 E219 P223 P244 L246 V260 L264	I212-I215 CarbonylContact O-C 3.54Å; I212-I215 WeakPolarHBondContact O-CA 3.14Å; I212-I215 WeakPolarHBondContact O-CB 3.27Å; I212-I215 PolarHBondContact O-N 3.42Å; T213-I215 VanDerWaalsContact C-N 3.29Å; T213-I215 PolarHBondContact O-N 3.12Å; I215-L217 PolarHBondContact O-N 2.64Å; I215-A218 CarbonylContact O-C 3.59Å; I215-A218 WeakPolarHBondContact O-CB 3.44Å; I215-A218 PolarHBondContact O-N 3.13Å; I215-A218 VanDerWaalsContact O-N 3.12Å; I215-E219 HydrophobicContact CG2-CB 4.41Å; I215-E219 HydrophobicContact CG2-CG 4.16Å; I215-E219 WeakPolarHBondContact O-CB 3.32Å; I215-E219 PolarHBondContact O-N 3.44Å; I215-P223 HydrophobicContact CD1-CG 3.91Å; I215-P223 HydrophobicContact CG2-CG 4.12Å; I215-P244 HydrophobicContact CD1-CB 4.48Å; I215-L246 HydrophobicContact CB-CD2 4.42Å; I215-L246 HydrophobicContact CG1-CD2 4.01Å; I215-L246 HydrophobicContact CG1-CG 4.4Å; I215-L246 HydrophobicContact CG2-CD2 4.39Å; I215-V260 HydrophobicContact CD1-CG1 3.9Å; I215-V260 HydrophobicContact CG1-CG1 3.94Å; I215-L264 HydrophobicContact CD1-CD1 3.79Å
216	E	96.8	Very high	93.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.1	-48.5	175.2	177.9	-167.4	-176.7	0	0	111.8	Q109 Y112 G149 W187 I212 T213 A218 E219 L220	Q109-E216 PolarHBondContact NE2-OE1 2.89Å; Y112-E216 HydrophobicContact CE1-CG 3.76Å; Y112-E216 WeakPolarHBondContact OH-CG 3.44Å; Y112-E216 PolarHBondContact OH-OE1 3.01Å; Y112-E216 VanDerWaalsContact OH-OE1 3.12Å; G149-E216 VanDerWaalsContact CA-OE1 3.27Å; G149-E216 WeakPolarHBondContact CA-OE1 3.3Å; G149-E216 VanDerWaalsContact N-CD 3.29Å; G149-E216 PolarHBondContact N-OE1 3.34Å; G149-E216 PolarHBondContact N-OE2 2.94Å; W187-E216 VanDerWaalsContact CZ2-CD 3.45Å; W187-E216 HydrophobicContact CZ2-CG 4.09Å; W187-E216 WeakPolarHBondContact CZ2-OE1 3.37Å; W187-E216 PolarHBondContact NE1-OE2 2.89Å; I212-E216 PolarHBondContact O-N 2.89Å; T213-E216 WeakPolarHBondContact O-CB 3.15Å; T213-E216 PolarHBondContact O-N 2.87Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 2.88Å; E216-E219 PolarHBondContact O-N 2.84Å; E216-L220 WeakPolarHBondContact O-CA 3.38Å; E216-L220 PolarHBondContact O-N 3.5Å
217	L	96.8	Very high	92.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.6	-25.9	178.3	-61.9	174.6	0	0	0	113.1	L108 Y112 L118 I123 V126 T213 I215	L108-L217 HydrophobicContact CB-CD2 4.01Å; L108-L217 HydrophobicContact CD1-CD1 4.21Å; L108-L217 HydrophobicContact CD1-CD2 4.11Å; Y112-L217 HydrophobicContact CD1-CD2 3.81Å; Y112-L217 HydrophobicContact CE1-CD2 4.28Å; L118-L217 HydrophobicContact CD1-CD2 4.35Å; L118-L217 HydrophobicContact CD2-CB 4.33Å; L118-L217 HydrophobicContact CD2-CD1 4.31Å; L118-L217 HydrophobicContact CD2-CD2 4.15Å; L118-L217 HydrophobicContact CD2-CG 4.49Å; L118-L217 PolarHBondContact N-O 3.22Å; I123-L217 HydrophobicContact CD1-CB 4.17Å; I123-L217 HydrophobicContact CG1-CB 3.94Å; V126-L217 HydrophobicContact CB-CD1 4.44Å; V126-L217 HydrophobicContact CG1-CD1 3.73Å; T213-L217 HydrophobicContact CG2-CD1 4.33Å; T213-L217 HydrophobicContact CG2-CG 4.37Å; T213-L217 WeakPolarHBondContact O-CG 3.27Å; T213-L217 PolarHBondContact O-N 3.44Å; I215-L217 PolarHBondContact O-N 2.64Å
218	A	95.9	Very high	91.4	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-84.8	-33.6	180	0	0	0	0	0	113.7	S117 I123 A214 I215 E216 L246 W252 F256	S117-A218 WeakPolarHBondContact CB-O 3.49Å; I123-A218 HydrophobicContact CD1-CB 3.86Å; A214-A218 WeakPolarHBondContact O-CB 3.36Å; I215-A218 CarbonylContact O-C 3.59Å; I215-A218 WeakPolarHBondContact O-CB 3.44Å; I215-A218 PolarHBondContact O-N 3.13Å; I215-A218 VanDerWaalsContact O-N 3.12Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 2.88Å; A218-L246 HydrophobicContact CB-CD2 3.76Å; A218-W252 HydrophobicContact CB-CH2 3.88Å; A218-W252 HydrophobicContact CB-CZ2 3.49Å; A218-W252 VanDerWaalsContact CB-CZ2 3.49Å; A218-W252 WeakPolarHBondContact O-CZ2 3.26Å; A218-F256 HydrophobicContact CB-CE1 4.14Å; A218-F256 HydrophobicContact CB-CZ 4.13Å
219	E	92.5	Very high	90.4	Very high	35 Å²	35	21 Å²	21	16%	0.164	11%	0.109	C	C	.	.	H	α-helix	trans	-124.2	0	-169.8	-58.4	-168.7	-177.9	0	0	114.3	I215 E216 Q221 L246 K247	I215-E219 HydrophobicContact CG2-CB 4.41Å; I215-E219 HydrophobicContact CG2-CG 4.16Å; I215-E219 WeakPolarHBondContact O-CB 3.32Å; I215-E219 PolarHBondContact O-N 3.44Å; E216-E219 PolarHBondContact O-N 2.84Å; E219-Q221 PolarHBondContact O-N 2.87Å; E219-L246 WeakPolarHBondContact OE1-CA 3.45Å; E219-K247 PolarHBondContact OE1-N 2.94Å; E219-K247 VanDerWaalsContact OE2-CD 3.32Å; E219-K247 WeakPolarHBondContact OE2-CD 3.48Å; E219-K247 WeakPolarHBondContact OE2-CE 3.49Å; E219-K247 WeakPolarHBondContact OE2-CG 3.29Å; E219-K247 IonicContact OE2-NZ 2.72Å; E219-K247 PolarHBondContact OE2-NZ 2.82Å
220	L	90.3	Very high	89.3	Confident	26 Å²	26	24.3 Å²	24.3	14%	0.136	13%	0.126	C	C	.	.	S	Bend	trans	69	6.7	176.1	-58.3	158.1	0	0	0	115.7	Y112 E216 K624	Y112-L220 HydrophobicContact CD2-CB 4.35Å; Y112-L220 HydrophobicContact CD2-CD2 3.27Å; Y112-L220 HydrophobicContact CD2-CG 4.42Å; Y112-L220 HydrophobicContact CE2-CB 4.35Å; Y112-L220 HydrophobicContact CE2-CD2 4.08Å; Y112-L220 WeakPolarHBondContact CE2-O 3.48Å; Y112-L220 HydrophobicContact CG-CD2 3.68Å; Y112-L220 WeakPolarHBondContact O-CD2 3.21Å; E216-L220 WeakPolarHBondContact O-CA 3.38Å; E216-L220 PolarHBondContact O-N 3.5Å; L220-K624 HydrophobicContact CD1-CB 3.87Å; L220-K624 HydrophobicContact CD1-CD 3.27Å; L220-K624 HydrophobicContact CD1-CG 4.08Å
221	Q	90.4	Very high	88.4	Confident	78 Å²	78	30.5 Å²	30.5	36%	0.364	15%	0.149	S	C	.	.	S	Bend	trans	-158.6	152	176	57	-173.7	-27.6	0	0	109.1	E219 F225	E219-Q221 PolarHBondContact O-N 2.87Å; Q221-F225 HydrophobicContact CB-CB 4.13Å; Q221-F225 HydrophobicContact CB-CD1 3.73Å; Q221-F225 HydrophobicContact CB-CE1 4.42Å; Q221-F225 HydrophobicContact CB-CG 4.16Å
222	P	92.4	Very high	87.6	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.013	15%	0.15	C	C	.	.			trans	-69.1	167	173.2	34	-39.4	0	0	0	111.1	Y186 W187 I212 F225	Y186-P222 HydrophobicContact CD2-CG 4.45Å; Y186-P222 HydrophobicContact CG-CG 4.05Å; W187-P222 HydrophobicContact CD2-CB 4.29Å; W187-P222 HydrophobicContact CD2-CG 4.42Å; W187-P222 HydrophobicContact CE3-CG 4.23Å; W187-P222 HydrophobicContact CH2-CB 4.25Å; W187-P222 HydrophobicContact CH2-CG 3.49Å; W187-P222 VanDerWaalsContact CH2-CG 3.49Å; W187-P222 HydrophobicContact CZ2-CB 3.98Å; W187-P222 HydrophobicContact CZ2-CG 3.69Å; W187-P222 HydrophobicContact CZ3-CB 4.49Å; W187-P222 HydrophobicContact CZ3-CG 3.76Å; I212-P222 HydrophobicContact CG2-CB 3.68Å; P222-F225 HydrophobicContact CG-CB 3.92Å; P222-F225 HydrophobicContact CG-CD2 3.57Å; P222-F225 HydrophobicContact CG-CE2 4.28Å; P222-F225 HydrophobicContact CG-CG 3.93Å
223	P	91.3	Very high	86.7	Confident	19 Å²	19	32.2 Å²	32.2	12%	0.123	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	140.8	168.9	-21.6	34.3	0	0	0	111.9	I212 I215 F225 P244	I212-P223 HydrophobicContact CD1-CG 4.19Å; I215-P223 HydrophobicContact CD1-CG 3.91Å; I215-P223 HydrophobicContact CG2-CG 4.12Å; P223-F225 VanDerWaalsContact C-N 3.27Å; P223-F225 PolarHBondContact O-N 2.77Å; P223-P244 HydrophobicContact CB-CB 3.55Å; P223-P244 HydrophobicContact CB-CG 3.99Å; P223-P244 HydrophobicContact CG-CB 3.47Å; P223-P244 VanDerWaalsContact CG-CB 3.47Å; P223-P244 HydrophobicContact CG-CG 3.7Å
224	L	86.4	Confident	85.8	Confident	63 Å²	63	36.9 Å²	36.9	33%	0.33	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	21.8	177.7	-47.8	175.2	0	0	0	115.2	Y186 D226 V227 V232 L235	Y186-L224 WeakPolarHBondContact CD1-O 3.28Å; Y186-L224 WeakPolarHBondContact CE1-O 3.31Å; L224-D226 VanDerWaalsContact C-OD1 3.26Å; L224-D226 WeakPolarHBondContact CA-OD1 3.35Å; L224-D226 PolarHBondContact O-N 2.9Å; L224-D226 VanDerWaalsContact O-N 3.15Å; L224-V227 HydrophobicContact CB-CB 4.21Å; L224-V227 HydrophobicContact CB-CG2 4.04Å; L224-V227 HydrophobicContact CD2-CG2 4.31Å; L224-V227 WeakPolarHBondContact O-CB 3.34Å; L224-V227 PolarHBondContact O-N 2.96Å; L224-V232 HydrophobicContact CB-CG2 3.97Å; L224-V232 HydrophobicContact CD1-CG1 4.44Å; L224-V232 HydrophobicContact CD1-CG2 4.45Å; L224-L235 HydrophobicContact CD1-CD1 4.47Å
225	F	83.6	Confident	85.1	Confident	42 Å²	42	39.2 Å²	39.2	18%	0.184	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.6	-179.3	-163.5	-132.2	0	0	0	114.4	Y186 W187 Q221 P222 P223 M665	Y186-F225 AromaticContact CD2-CD2 3.8Å; Y186-F225 HydrophobicContact CD2-CD2 3.8Å; Y186-F225 HydrophobicContact CD2-CE2 4.19Å; Y186-F225 HydrophobicContact CE1-CD2 4.5Å; Y186-F225 AromaticContact CE2-CD2 3.77Å; Y186-F225 HydrophobicContact CE2-CD2 3.77Å; Y186-F225 HydrophobicContact CE2-CE2 4.06Å; Y186-F225 HydrophobicContact CG-CD2 4.18Å; W187-F225 HydrophobicContact CH2-CE2 4.25Å; W187-F225 HydrophobicContact CZ3-CE2 4.41Å; Q221-F225 HydrophobicContact CB-CB 4.13Å; Q221-F225 HydrophobicContact CB-CD1 3.73Å; Q221-F225 HydrophobicContact CB-CE1 4.42Å; Q221-F225 HydrophobicContact CB-CG 4.16Å; P222-F225 HydrophobicContact CG-CB 3.92Å; P222-F225 HydrophobicContact CG-CD2 3.57Å; P222-F225 HydrophobicContact CG-CE2 4.28Å; P222-F225 HydrophobicContact CG-CG 3.93Å; P223-F225 VanDerWaalsContact C-N 3.27Å; P223-F225 PolarHBondContact O-N 2.77Å; F225-M665 HydrophobicContact CD1-CE 4.32Å; F225-M665 HydrophobicContact CD2-CE 3.91Å; F225-M665 HydrophobicContact CD2-SD 4.34Å; F225-M665 HydrophobicContact CE1-CE 4.02Å; F225-M665 HydrophobicContact CE2-CE 3.57Å; F225-M665 HydrophobicContact CE2-CG 4.37Å; F225-M665 HydrophobicContact CE2-SD 3.75Å; F225-M665 HydrophobicContact CG-CE 4.28Å; F225-M665 HydrophobicContact CZ-CE 3.63Å; F225-M665 HydrophobicContact CZ-CG 4.36Å; F225-M665 HydrophobicContact CZ-SD 4.17Å
226	D	75.3	Confident	84.4	Confident	114 Å²	114	39.4 Å²	39.4	61%	0.61	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.9	172.9	56.1	-51.1	0	0	0	113.7	L224	L224-D226 VanDerWaalsContact C-OD1 3.26Å; L224-D226 WeakPolarHBondContact CA-OD1 3.35Å; L224-D226 PolarHBondContact O-N 2.9Å; L224-D226 VanDerWaalsContact O-N 3.15Å
227	V	77.9	Confident	83.5	Confident	32 Å²	32	41.3 Å²	41.3	19%	0.194	21%	0.205	C	C	.	.	S	Bend	trans	-94.5	139	-176	-178.2	0	0	0	0	110.6	Y186 L224 R231 V232	Y186-V227 VanDerWaalsContact CE1-O 3.3Å; Y186-V227 WeakPolarHBondContact CE1-O 3.24Å; Y186-V227 PolarHBondContact OH-O 3.19Å; Y186-V227 VanDerWaalsContact OH-O 3.09Å; L224-V227 HydrophobicContact CB-CB 4.21Å; L224-V227 HydrophobicContact CB-CG2 4.04Å; L224-V227 HydrophobicContact CD2-CG2 4.31Å; L224-V227 WeakPolarHBondContact O-CB 3.34Å; L224-V227 PolarHBondContact O-N 2.96Å; V227-R231 HydrophobicContact CG1-CB 3.77Å; V227-R231 HydrophobicContact CG1-CG 3.6Å; V227-V232 HydrophobicContact CB-CG2 3.85Å; V227-V232 HydrophobicContact CG1-CG2 3.86Å
228	H	70.8	Confident	82.8	Confident	17 Å²	17	46 Å²	46	8%	0.079	23%	0.225	C	C	.	.			trans	-54.7	136.7	179.5	-172.6	-104.4	0	0	0	113.2	L230 R231 V232	H228-L230 PolarHBondContact O-N 3.37Å; H228-L230 VanDerWaalsContact O-N 3.16Å; H228-R231 HydrophobicContact CB-CB 4.37Å; H228-R231 WeakPolarHBondContact O-CA 3.38Å; H228-R231 WeakPolarHBondContact O-CB 3.26Å; H228-R231 PolarHBondContact O-N 3.07Å; H228-V232 PolarHBondContact O-N 3.24Å; H228-V232 VanDerWaalsContact O-N 3.15Å
229	P	75.6	Confident	81.9	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-45.8	-48.6	-176	-35.1	37.3	0	0	0	115.8	P185 Y186 R231 V232 L233 Y662	P185-P229 HydrophobicContact CG-CB 3.62Å; Y186-P229 WeakPolarHBondContact OH-CD 3.29Å; P229-R231 VanDerWaalsContact C-N 3.29Å; P229-R231 PolarHBondContact O-N 2.73Å; P229-V232 PolarHBondContact O-N 2.87Å; P229-L233 PolarHBondContact O-N 2.89Å; P229-Y662 HydrophobicContact CG-CD1 4.38Å; P229-Y662 HydrophobicContact CG-CE1 3.9Å; P229-Y662 HydrophobicContact CG-CE2 4.06Å
230	L	72	Confident	81.4	Confident	75 Å²	75	52.6 Å²	52.6	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-33.4	177.9	-65.9	178.4	0	0	0	113	F181 H228 L233 F234	F181-L230 HydrophobicContact CD1-CD1 4.45Å; F181-L230 HydrophobicContact CD1-CD2 3.8Å; F181-L230 HydrophobicContact CD1-CG 4.4Å; F181-L230 HydrophobicContact CE1-CD1 3.86Å; F181-L230 HydrophobicContact CE1-CD2 3.92Å; F181-L230 HydrophobicContact CE1-CG 4.29Å; F181-L230 HydrophobicContact CE2-CD1 4.46Å; F181-L230 HydrophobicContact CG-CD2 4.45Å; F181-L230 HydrophobicContact CZ-CD1 3.87Å; H228-L230 PolarHBondContact O-N 3.37Å; H228-L230 VanDerWaalsContact O-N 3.16Å; L230-L233 HydrophobicContact CD2-CD1 4.46Å; L230-L233 PolarHBondContact O-N 2.83Å; L230-F234 WeakPolarHBondContact O-CB 3.43Å; L230-F234 PolarHBondContact O-N 3.29Å
231	R	78.8	Confident	81.2	Confident	130 Å²	130	53 Å²	53	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-72	-32.8	179	-178.5	56.9	167.9	-149.8	-9.9	111	V227 H228 P229 L235	V227-R231 HydrophobicContact CG1-CB 3.77Å; V227-R231 HydrophobicContact CG1-CG 3.6Å; H228-R231 HydrophobicContact CB-CB 4.37Å; H228-R231 WeakPolarHBondContact O-CA 3.38Å; H228-R231 WeakPolarHBondContact O-CB 3.26Å; H228-R231 PolarHBondContact O-N 3.07Å; P229-R231 VanDerWaalsContact C-N 3.29Å; P229-R231 PolarHBondContact O-N 2.73Å; R231-L235 HydrophobicContact CG-CD1 4.25Å; R231-L235 WeakPolarHBondContact O-CB 3.37Å; R231-L235 WeakPolarHBondContact O-CG 3.41Å; R231-L235 PolarHBondContact O-N 3.47Å
232	V	82.2	Confident	81.2	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-49.1	171.7	177.2	0	0	0	0	110.9	Y186 L224 V227 H228 P229 F234 L235 M236	Y186-V232 HydrophobicContact CD1-CG1 4.39Å; Y186-V232 HydrophobicContact CD1-CG2 3.9Å; Y186-V232 HydrophobicContact CE1-CG2 3.75Å; L224-V232 HydrophobicContact CB-CG2 3.97Å; L224-V232 HydrophobicContact CD1-CG1 4.44Å; L224-V232 HydrophobicContact CD1-CG2 4.45Å; V227-V232 HydrophobicContact CB-CG2 3.85Å; V227-V232 HydrophobicContact CG1-CG2 3.86Å; H228-V232 PolarHBondContact O-N 3.24Å; H228-V232 VanDerWaalsContact O-N 3.15Å; P229-V232 PolarHBondContact O-N 2.87Å; V232-F234 VanDerWaalsContact C-N 3.34Å; V232-F234 PolarHBondContact O-N 2.85Å; V232-L235 PolarHBondContact O-N 2.93Å; V232-L235 VanDerWaalsContact O-N 3.11Å; V232-M236 HydrophobicContact CG1-CG 4.43Å; V232-M236 HydrophobicContact CG1-SD 3.69Å; V232-M236 VanDerWaalsContact O-CG 3.28Å; V232-M236 WeakPolarHBondContact O-CG 3.49Å; V232-M236 PolarHBondContact O-N 2.79Å
233	L	79.3	Confident	81.2	Confident	35 Å²	35	57.1 Å²	57.1	18%	0.183	31%	0.306	C	S	.	.	H	α-helix	trans	-55.3	-46.9	174.6	-68.5	171.6	0	0	0	112.1	P185 M188 A193 P229 L230 L235 M236 S237	P185-L233 HydrophobicContact CB-CD1 4.25Å; P185-L233 HydrophobicContact CB-CD2 3.67Å; P185-L233 HydrophobicContact CB-CG 3.75Å; P185-L233 HydrophobicContact CG-CG 4.38Å; M188-L233 HydrophobicContact CE-CD2 4.28Å; M188-L233 HydrophobicContact SD-CD2 4.18Å; A193-L233 HydrophobicContact CB-CD2 3.58Å; P229-L233 PolarHBondContact O-N 2.89Å; L230-L233 HydrophobicContact CD2-CD1 4.46Å; L230-L233 PolarHBondContact O-N 2.83Å; L233-L235 PolarHBondContact O-N 2.84Å; L233-M236 PolarHBondContact O-N 3.05Å; L233-S237 PolarHBondContact O-N 2.9Å; L233-S237 VanDerWaalsContact O-N 3.17Å
234	F	78.3	Confident	81.4	Confident	98 Å²	98	57.3 Å²	57.3	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-36.3	176.1	175.6	-107.5	0	0	0	113.5	L230 V232 S237 K238	L230-F234 WeakPolarHBondContact O-CB 3.43Å; L230-F234 PolarHBondContact O-N 3.29Å; V232-F234 VanDerWaalsContact C-N 3.34Å; V232-F234 PolarHBondContact O-N 2.85Å; F234-S237 PolarHBondContact O-OG 2.8Å; F234-S237 VanDerWaalsContact O-OG 3.11Å; F234-K238 VanDerWaalsContact CZ-CE 3.45Å
235	L	83.3	Confident	81.7	Confident	49 Å²	49	60.2 Å²	60.2	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-66.7	-41.9	174.8	-76.1	167.9	0	0	0	111.1	L224 R231 V232 L233 S237 K238 Y241	L224-L235 HydrophobicContact CD1-CD1 4.47Å; R231-L235 HydrophobicContact CG-CD1 4.25Å; R231-L235 WeakPolarHBondContact O-CB 3.37Å; R231-L235 WeakPolarHBondContact O-CG 3.41Å; R231-L235 PolarHBondContact O-N 3.47Å; V232-L235 PolarHBondContact O-N 2.93Å; V232-L235 VanDerWaalsContact O-N 3.11Å; L233-L235 PolarHBondContact O-N 2.84Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.26Å; L235-K238 PolarHBondContact O-N 2.78Å; L235-Y241 HydrophobicContact CB-CD2 4.48Å; L235-Y241 WeakPolarHBondContact O-CB 3.46Å; L235-Y241 WeakPolarHBondContact O-CD2 3.34Å
236	M	83.2	Confident	82.2	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-28.5	-178.7	-69	165.3	75.8	0	0	114	M188 P190 A193 V232 L233 Y241 R266	M188-M236 WeakPolarHBondContact O-CE 3.31Å; P190-M236 HydrophobicContact CB-CB 4.45Å; P190-M236 HydrophobicContact CG-CE 4.13Å; A193-M236 HydrophobicContact CB-CB 4.19Å; A193-M236 HydrophobicContact CB-CE 4.26Å; A193-M236 HydrophobicContact CB-SD 4.47Å; V232-M236 HydrophobicContact CG1-CG 4.43Å; V232-M236 HydrophobicContact CG1-SD 3.69Å; V232-M236 VanDerWaalsContact O-CG 3.28Å; V232-M236 WeakPolarHBondContact O-CG 3.49Å; V232-M236 PolarHBondContact O-N 2.79Å; L233-M236 PolarHBondContact O-N 3.05Å; M236-Y241 HydrophobicContact CG-CD2 4.34Å; M236-Y241 HydrophobicContact CG-CE1 4.17Å; M236-Y241 HydrophobicContact CG-CE2 3.78Å; M236-R266 PolarHBondContact O-NH2 3.15Å
237	S	77.9	Confident	82.8	Confident	41 Å²	41	59.8 Å²	59.8	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-75.6	-27.4	178.7	71.9	0	0	0	0	113.3	L233 F234 L235 R266	L233-S237 PolarHBondContact O-N 2.9Å; L233-S237 VanDerWaalsContact O-N 3.17Å; F234-S237 PolarHBondContact O-OG 2.8Å; F234-S237 VanDerWaalsContact O-OG 3.11Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.26Å; S237-R266 PolarHBondContact O-NH2 3.3Å
238	K	82	Confident	83.2	Confident	97 Å²	97	61.7 Å²	61.7	42%	0.422	32%	0.319	S	S	.	.	S	Bend	trans	-59.1	137.6	-179.6	-72.4	-175.3	177.7	-170.7	0	113.2	F234 L235 G240 Y241 R266	F234-K238 VanDerWaalsContact CZ-CE 3.45Å; L235-K238 PolarHBondContact O-N 2.78Å; K238-G240 VanDerWaalsContact C-N 3.26Å; K238-G240 PolarHBondContact O-N 2.89Å; K238-G240 VanDerWaalsContact O-N 3.17Å; K238-Y241 WeakPolarHBondContact O-CB 3.35Å; K238-Y241 PolarHBondContact O-N 2.84Å; K238-Y241 VanDerWaalsContact O-N 3.1Å; K238-R266 PolarHBondContact O-NH1 2.79Å; K238-R266 PolarHBondContact O-NH2 3.45Å
239	S	76.6	Confident	84	Confident	123 Å²	123	68.2 Å²	68.2	86%	0.86	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.3	179.4	51.4	0	0	0	0	114	Y241 R266	S239-Y241 PolarHBondContact O-N 2.93Å; S239-R266 PolarHBondContact O-NH1 2.83Å
240	G	82	Confident	84.5	Confident	53 Å²	53	73.3 Å²	73.3	55%	0.546	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.8	179.7	0	0	0	0	0	117	K238 Q242	K238-G240 VanDerWaalsContact C-N 3.26Å; K238-G240 PolarHBondContact O-N 2.89Å; K238-G240 VanDerWaalsContact O-N 3.17Å; G240-Q242 PolarHBondContact O-N 2.88Å; G240-Q242 PolarHBondContact O-NE2 2.88Å
241	Y	86.8	Confident	85.3	Confident	35 Å²	35	74.8 Å²	74.8	14%	0.137	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-55.1	123.8	-175.4	176.4	-96.5	0	0	0	112.8	P190 W208 L235 M236 K238 S239 R266	P190-Y241 HydrophobicContact CG-CD1 4.4Å; P190-Y241 HydrophobicContact CG-CE1 4.03Å; W208-Y241 HydrophobicContact CH2-CE1 4.13Å; W208-Y241 HydrophobicContact CZ2-CE1 4.36Å; L235-Y241 HydrophobicContact CB-CD2 4.48Å; L235-Y241 WeakPolarHBondContact O-CB 3.46Å; L235-Y241 WeakPolarHBondContact O-CD2 3.34Å; M236-Y241 HydrophobicContact CG-CD2 4.34Å; M236-Y241 HydrophobicContact CG-CE1 4.17Å; M236-Y241 HydrophobicContact CG-CE2 3.78Å; K238-Y241 WeakPolarHBondContact O-CB 3.35Å; K238-Y241 PolarHBondContact O-N 2.84Å; K238-Y241 VanDerWaalsContact O-N 3.1Å; S239-Y241 PolarHBondContact O-N 2.93Å; Y241-R266 PolarHBondContact O-NH1 3.46Å
242	Q	89.8	Confident	86.1	Confident	135 Å²	135	69.7 Å²	69.7	63%	0.631	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-92.7	131.2	176.1	-60.8	-57	-57.2	0	0	109.6	G240	G240-Q242 PolarHBondContact O-N 2.88Å; G240-Q242 PolarHBondContact O-NE2 2.88Å
243	P	92.9	Very high	86.7	Confident	32 Å²	32	71.6 Å²	71.6	21%	0.208	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-58.1	144.4	171.6	-25.1	35.1	0	0	0	112.4	W208 L264 R266	W208-P243 HydrophobicContact CH2-CB 3.8Å; W208-P243 HydrophobicContact CH2-CG 4.19Å; W208-P243 HydrophobicContact CZ3-CB 4.11Å; W208-P243 HydrophobicContact CZ3-CG 4.28Å; P243-L264 HydrophobicContact CB-CB 4.12Å; P243-L264 WeakPolarHBondContact CB-O 3.47Å; P243-L264 WeakPolarHBondContact CG-O 3.48Å; P243-R266 HydrophobicContact CG-CB 4.15Å
244	P	94.2	Very high	87.4	Confident	23 Å²	23	74.3 Å²	74.3	15%	0.149	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-70.5	164.8	-179.9	26.9	-29	0	0	0	111.9	I212 I215 P223 L264	I212-P244 HydrophobicContact CD1-CG 3.7Å; I215-P244 HydrophobicContact CD1-CB 4.48Å; P223-P244 HydrophobicContact CB-CB 3.55Å; P223-P244 HydrophobicContact CB-CG 3.99Å; P223-P244 HydrophobicContact CG-CB 3.47Å; P223-P244 VanDerWaalsContact CG-CB 3.47Å; P223-P244 HydrophobicContact CG-CG 3.7Å; P244-L264 HydrophobicContact CG-CD1 4.04Å; P244-L264 VanDerWaalsContact O-CD1 3.31Å; P244-L264 WeakPolarHBondContact O-CD1 3.38Å
245	K	93.8	Very high	88.2	Confident	123 Å²	123	73.6 Å²	73.6	54%	0.535	40%	0.403	S	S	.	.			trans	-143.9	156.9	-174.4	-67.9	153.2	-176.8	170.9	0	108	K247 Y257	K245-K247 PolarHBondContact O-N 2.82Å; K245-Y257 HydrophobicContact CB-CE2 4.39Å; K245-Y257 WeakPolarHBondContact CD-OH 3.34Å
246	L	92.6	Very high	88.9	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	39%	0.391	C	S	.	.			trans	-56.8	132	165.5	-63.9	161.2	0	0	0	109.3	I215 A218 E219 W252 F256 Y257 V260	I215-L246 HydrophobicContact CB-CD2 4.42Å; I215-L246 HydrophobicContact CG1-CD2 4.01Å; I215-L246 HydrophobicContact CG1-CG 4.4Å; I215-L246 HydrophobicContact CG2-CD2 4.39Å; A218-L246 HydrophobicContact CB-CD2 3.76Å; E219-L246 WeakPolarHBondContact OE1-CA 3.45Å; L246-W252 HydrophobicContact CD1-CB 4.17Å; L246-W252 HydrophobicContact CD1-CG 3.96Å; L246-F256 HydrophobicContact CD1-CD1 3.79Å; L246-F256 HydrophobicContact CD1-CE1 3.68Å; L246-F256 HydrophobicContact CD1-CG 4.25Å; L246-F256 HydrophobicContact CD1-CZ 4.09Å; L246-F256 HydrophobicContact CD2-CE1 4.15Å; L246-F256 HydrophobicContact CD2-CZ 4.24Å; L246-Y257 HydrophobicContact CB-CD2 4.43Å; L246-Y257 HydrophobicContact CD1-CD2 4.44Å; L246-V260 HydrophobicContact CD1-CG2 4.29Å
247	K	89.1	Confident	89.5	Confident	142 Å²	142	73.7 Å²	73.7	62%	0.617	40%	0.4	S	S	*	.	S	Bend	trans	-67.4	-52	-174.2	-66.1	178.9	-174.8	103.4	0	111.5	E219 K245 K249	E219-K247 PolarHBondContact OE1-N 2.94Å; E219-K247 VanDerWaalsContact OE2-CD 3.32Å; E219-K247 WeakPolarHBondContact OE2-CD 3.48Å; E219-K247 WeakPolarHBondContact OE2-CE 3.49Å; E219-K247 WeakPolarHBondContact OE2-CG 3.29Å; E219-K247 IonicContact OE2-NZ 2.72Å; E219-K247 PolarHBondContact OE2-NZ 2.82Å; K245-K247 PolarHBondContact O-N 2.82Å; K247-K249 PolarHBondContact O-N 3.14Å
248	D	86.8	Confident	90.3	Very high	72 Å²	72	75.1 Å²	75.1	39%	0.385	40%	0.404	S	S	.	.			trans	-88.6	100.6	177	-175	-11.9	0	0	0	110.4	S250 K251	D248-S250 PolarHBondContact O-N 3.02Å; D248-S250 WeakPolarHBondContact OD1-CA 3.5Å; D248-S250 WeakPolarHBondContact OD1-CB 3.39Å; D248-S250 PolarHBondContact OD1-N 2.9Å; D248-S250 PolarHBondContact OD1-OG 3.5Å; D248-K251 HydrophobicContact CB-CB 4.15Å; D248-K251 PolarHBondContact OD1-N 2.86Å; D248-K251 WeakPolarHBondContact OD2-CB 3.44Å
249	K	86.1	Confident	91.1	Very high	154 Å²	154	70.5 Å²	70.5	67%	0.67	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-12	177.1	-160.4	-157.7	165.5	-164.1	0	113.2	K247 Y257	K247-K249 PolarHBondContact O-N 3.14Å; K249-Y257 HydrophobicContact CG-CD2 4.19Å; K249-Y257 HydrophobicContact CG-CE2 3.97Å
250	S	85.9	Confident	92.1	Very high	110 Å²	110	64.8 Å²	64.8	77%	0.769	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-30.9	-177.7	71.8	0	0	0	0	113.2	D248 W252	D248-S250 PolarHBondContact O-N 3.02Å; D248-S250 WeakPolarHBondContact OD1-CA 3.5Å; D248-S250 WeakPolarHBondContact OD1-CB 3.39Å; D248-S250 PolarHBondContact OD1-N 2.9Å; D248-S250 PolarHBondContact OD1-OG 3.5Å; S250-W252 PolarHBondContact O-N 3.49Å
251	K	90.6	Very high	92.7	Very high	106 Å²	106	68.7 Å²	68.7	46%	0.461	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-30.1	176.8	179.5	-178.6	176.6	-164.6	0	114.3	D248	D248-K251 HydrophobicContact CB-CB 4.15Å; D248-K251 PolarHBondContact OD1-N 2.86Å; D248-K251 WeakPolarHBondContact OD2-CB 3.44Å
252	W	93.9	Very high	93.2	Very high	23 Å²	23	68.3 Å²	68.3	9%	0.087	35%	0.351	C	S	.	.	S	Bend	trans	-112.9	147	-166.8	-57	120.1	0	0	0	112.7	E120 I123 A218 L246 S250 F256	E120-W252 HydrophobicContact CB-CE3 4.25Å; E120-W252 HydrophobicContact CB-CZ3 4.22Å; I123-W252 HydrophobicContact CD1-CH2 4.43Å; A218-W252 HydrophobicContact CB-CH2 3.88Å; A218-W252 HydrophobicContact CB-CZ2 3.49Å; A218-W252 VanDerWaalsContact CB-CZ2 3.49Å; A218-W252 WeakPolarHBondContact O-CZ2 3.26Å; L246-W252 HydrophobicContact CD1-CB 4.17Å; L246-W252 HydrophobicContact CD1-CG 3.96Å; S250-W252 PolarHBondContact O-N 3.49Å; W252-F256 HydrophobicContact CB-CD1 3.91Å; W252-F256 AromaticContact CD2-CD1 3.82Å; W252-F256 HydrophobicContact CD2-CD1 3.82Å; W252-F256 AromaticContact CD2-CE1 3.75Å; W252-F256 HydrophobicContact CD2-CE1 3.75Å; W252-F256 AromaticContact CE3-CD1 3.67Å; W252-F256 HydrophobicContact CE3-CD1 3.67Å; W252-F256 AromaticContact CE3-CE1 3.69Å; W252-F256 HydrophobicContact CE3-CE1 3.69Å; W252-F256 AromaticContact CG-CD1 3.94Å; W252-F256 HydrophobicContact CG-CD1 3.94Å; W252-F256 HydrophobicContact CG-CE1 4.15Å; W252-F256 HydrophobicContact CZ3-CD1 4.41Å; W252-F256 HydrophobicContact CZ3-CE1 4.08Å
253	S	95.4	Very high	93.6	Very high	43 Å²	43	61.9 Å²	61.9	30%	0.301	32%	0.321	S	S	.	.			trans	-68.9	155.9	-180	87.8	0	0	0	0	112.8	E120 N255 F256 Y257	E120-S253 WeakPolarHBondContact OE1-CB 3.38Å; E120-S253 PolarHBondContact OE1-OG 3.45Å; E120-S253 PolarHBondContact OE2-N 2.89Å; S253-N255 PolarHBondContact O-N 3.31Å; S253-N255 VanDerWaalsContact O-N 3.16Å; S253-N255 PolarHBondContact OG-N 2.97Å; S253-N255 VanDerWaalsContact OG-N 3.12Å; S253-F256 PolarHBondContact O-N 3.4Å; S253-F256 PolarHBondContact OG-N 3.02Å; S253-F256 VanDerWaalsContact OG-N 3.15Å; S253-Y257 WeakPolarHBondContact O-CB 3.46Å; S253-Y257 PolarHBondContact O-N 2.92Å
254	S	94.5	Very high	93.8	Very high	93 Å²	93	60.6 Å²	60.6	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-56	-27.5	169.3	-64.8	0	0	0	0	112.9	N258	S254-N258 VanDerWaalsContact O-CB 3.24Å; S254-N258 WeakPolarHBondContact O-CB 3.14Å; S254-N258 VanDerWaalsContact O-CG 3.24Å; S254-N258 PolarHBondContact O-N 3.36Å; S254-N258 PolarHBondContact O-ND2 3.08Å
255	N	95.3	Very high	93.8	Very high	83 Å²	83	61.5 Å²	61.5	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-73.7	-44.9	178.4	-71.1	-12.6	0	0	0	111.1	S253 N258 F259 H280 F282	S253-N255 PolarHBondContact O-N 3.31Å; S253-N255 VanDerWaalsContact O-N 3.16Å; S253-N255 PolarHBondContact OG-N 2.97Å; S253-N255 VanDerWaalsContact OG-N 3.12Å; N255-N258 PolarHBondContact O-N 2.86Å; N255-F259 WeakPolarHBondContact O-CB 3.31Å; N255-F259 PolarHBondContact O-N 3.21Å; N255-H280 PolarHBondContact O-CE1 3.36Å; N255-F282 HydrophobicContact CB-CD2 4.47Å
256	F	97	Very high	93.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-43.8	175.8	-176.2	-152.1	0	0	0	111.8	E120 I123 A214 A218 L246 W252 S253 N258 F259 V260 F282	E120-F256 VanDerWaalsContact CD-CB 3.48Å; E120-F256 HydrophobicContact CG-CB 4Å; E120-F256 HydrophobicContact CG-CD1 4Å; E120-F256 HydrophobicContact CG-CG 4.12Å; E120-F256 WeakPolarHBondContact OE1-CB 3.43Å; I123-F256 HydrophobicContact CD1-CE1 4.18Å; I123-F256 HydrophobicContact CD1-CZ 3.95Å; I123-F256 HydrophobicContact CG2-CE2 3.81Å; I123-F256 HydrophobicContact CG2-CZ 3.87Å; A214-F256 HydrophobicContact CB-CE2 4.17Å; A218-F256 HydrophobicContact CB-CE1 4.14Å; A218-F256 HydrophobicContact CB-CZ 4.13Å; L246-F256 HydrophobicContact CD1-CD1 3.79Å; L246-F256 HydrophobicContact CD1-CE1 3.68Å; L246-F256 HydrophobicContact CD1-CG 4.25Å; L246-F256 HydrophobicContact CD1-CZ 4.09Å; L246-F256 HydrophobicContact CD2-CE1 4.15Å; L246-F256 HydrophobicContact CD2-CZ 4.24Å; W252-F256 HydrophobicContact CB-CD1 3.91Å; W252-F256 AromaticContact CD2-CD1 3.82Å; W252-F256 HydrophobicContact CD2-CD1 3.82Å; W252-F256 AromaticContact CD2-CE1 3.75Å; W252-F256 HydrophobicContact CD2-CE1 3.75Å; W252-F256 AromaticContact CE3-CD1 3.67Å; W252-F256 HydrophobicContact CE3-CD1 3.67Å; W252-F256 AromaticContact CE3-CE1 3.69Å; W252-F256 HydrophobicContact CE3-CE1 3.69Å; W252-F256 AromaticContact CG-CD1 3.94Å; W252-F256 HydrophobicContact CG-CD1 3.94Å; W252-F256 HydrophobicContact CG-CE1 4.15Å; W252-F256 HydrophobicContact CZ3-CD1 4.41Å; W252-F256 HydrophobicContact CZ3-CE1 4.08Å; S253-F256 PolarHBondContact O-N 3.4Å; S253-F256 PolarHBondContact OG-N 3.02Å; S253-F256 VanDerWaalsContact OG-N 3.15Å; F256-N258 VanDerWaalsContact C-N 3.33Å; F256-N258 PolarHBondContact O-N 3.43Å; F256-F259 HydrophobicContact CD2-CD1 4.36Å; F256-F259 WeakPolarHBondContact O-CB 3.29Å; F256-F259 PolarHBondContact O-N 3.29Å; F256-V260 HydrophobicContact CD2-CG2 3.94Å; F256-V260 HydrophobicContact CE2-CG2 3.61Å; F256-V260 HydrophobicContact CZ-CG2 4.28Å; F256-V260 PolarHBondContact O-N 2.97Å; F256-F282 HydrophobicContact CB-CD2 3.96Å; F256-F282 HydrophobicContact CB-CE2 3.48Å; F256-F282 VanDerWaalsContact CB-CE2 3.48Å; F256-F282 HydrophobicContact CB-CZ 3.98Å; F256-F282 HydrophobicContact CD2-CD1 4.47Å; F256-F282 AromaticContact CD2-CE1 3.71Å; F256-F282 HydrophobicContact CD2-CE1 3.71Å; F256-F282 AromaticContact CD2-CE2 3.77Å; F256-F282 HydrophobicContact CD2-CE2 3.77Å; F256-F282 AromaticContact CD2-CZ 3.3Å; F256-F282 HydrophobicContact CD2-CZ 3.3Å; F256-F282 HydrophobicContact CE2-CE1 4.19Å; F256-F282 AromaticContact CE2-CZ 3.93Å; F256-F282 HydrophobicContact CE2-CZ 3.93Å; F256-F282 AromaticContact CG-CE2 3.8Å; F256-F282 HydrophobicContact CG-CE2 3.8Å; F256-F282 AromaticContact CG-CZ 3.75Å; F256-F282 HydrophobicContact CG-CZ 3.75Å
257	Y	95.5	Very high	93.5	Very high	54 Å²	54	62.3 Å²	62.3	21%	0.212	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-40.6	176.9	-165.9	-86.5	0	0	0	112.3	K245 L246 K249 S253 K261	K245-Y257 HydrophobicContact CB-CE2 4.39Å; K245-Y257 WeakPolarHBondContact CD-OH 3.34Å; L246-Y257 HydrophobicContact CB-CD2 4.43Å; L246-Y257 HydrophobicContact CD1-CD2 4.44Å; K249-Y257 HydrophobicContact CG-CD2 4.19Å; K249-Y257 HydrophobicContact CG-CE2 3.97Å; S253-Y257 WeakPolarHBondContact O-CB 3.46Å; S253-Y257 PolarHBondContact O-N 2.92Å; Y257-K261 WeakPolarHBondContact O-CB 3.44Å; Y257-K261 PolarHBondContact O-N 2.85Å; Y257-K261 VanDerWaalsContact O-N 3.08Å
258	N	96	Very high	93.5	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-71.7	-33.9	175.3	-76.6	-39.6	0	0	0	112.8	S254 N255 F256 K261 A262	S254-N258 VanDerWaalsContact O-CB 3.24Å; S254-N258 WeakPolarHBondContact O-CB 3.14Å; S254-N258 VanDerWaalsContact O-CG 3.24Å; S254-N258 PolarHBondContact O-N 3.36Å; S254-N258 PolarHBondContact O-ND2 3.08Å; N255-N258 PolarHBondContact O-N 2.86Å; F256-N258 VanDerWaalsContact C-N 3.33Å; F256-N258 PolarHBondContact O-N 3.43Å; N258-K261 PolarHBondContact O-N 3.02Å; N258-A262 WeakPolarHBondContact O-CB 3.44Å; N258-A262 PolarHBondContact O-N 3.3Å
259	F	97.8	Very high	93.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-52.2	174.5	178.5	-112.5	0	0	0	111.6	C127 L131 N255 F256 K261 A262 M263 M277 H280 F282 L283	C127-F259 HydrophobicContact CB-CE1 3.8Å; C127-F259 HydrophobicContact CB-CZ 3.82Å; L131-F259 HydrophobicContact CD1-CE2 4.25Å; L131-F259 HydrophobicContact CD1-CZ 3.96Å; N255-F259 WeakPolarHBondContact O-CB 3.31Å; N255-F259 PolarHBondContact O-N 3.21Å; F256-F259 HydrophobicContact CD2-CD1 4.36Å; F256-F259 WeakPolarHBondContact O-CB 3.29Å; F256-F259 PolarHBondContact O-N 3.29Å; F259-K261 PolarHBondContact O-N 2.82Å; F259-A262 PolarHBondContact O-N 2.72Å; F259-M263 HydrophobicContact CD1-CE 3.46Å; F259-M263 VanDerWaalsContact CD1-CE 3.46Å; F259-M263 HydrophobicContact CD2-CE 4.32Å; F259-M263 HydrophobicContact CE1-CE 3.2Å; F259-M263 HydrophobicContact CE1-SD 4.22Å; F259-M263 HydrophobicContact CE2-CE 4.1Å; F259-M263 HydrophobicContact CE2-SD 4.36Å; F259-M263 HydrophobicContact CG-CE 4.02Å; F259-M263 HydrophobicContact CZ-CE 3.54Å; F259-M263 HydrophobicContact CZ-SD 3.96Å; F259-M263 PolarHBondContact O-N 2.7Å; F259-M277 HydrophobicContact CD2-CE 3.19Å; F259-M277 HydrophobicContact CE2-CE 3.22Å; F259-M277 HydrophobicContact CG-CE 4.22Å; F259-M277 HydrophobicContact CZ-CE 4.25Å; F259-H280 HydrophobicContact CD2-CB 4.13Å; F259-H280 AromaticContact CD2-CG 3.86Å; F259-H280 AromaticContact CD2-ND1 3.51Å; F259-F282 HydrophobicContact CB-CB 3.88Å; F259-F282 HydrophobicContact CB-CD1 3.88Å; F259-F282 HydrophobicContact CB-CG 3.94Å; F259-F282 AromaticContact CD1-CD1 3.22Å; F259-F282 HydrophobicContact CD1-CD1 3.22Å; F259-F282 AromaticContact CD1-CE1 3.5Å; F259-F282 HydrophobicContact CD1-CE1 3.5Å; F259-F282 VanDerWaalsContact CD1-CE1 3.5Å; F259-F282 HydrophobicContact CD1-CG 4.15Å; F259-F282 HydrophobicContact CD2-CB 4.08Å; F259-F282 AromaticContact CD2-CD1 3.88Å; F259-F282 HydrophobicContact CD2-CD1 3.88Å; F259-F282 HydrophobicContact CD2-CG 4.38Å; F259-F282 AromaticContact CE1-CD1 3.59Å; F259-F282 HydrophobicContact CE1-CD1 3.59Å; F259-F282 AromaticContact CE1-CE1 3.73Å; F259-F282 HydrophobicContact CE1-CE1 3.73Å; F259-F282 HydrophobicContact CE2-CD1 4.19Å; F259-F282 HydrophobicContact CG-CB 3.99Å; F259-F282 AromaticContact CG-CD1 3.39Å; F259-F282 HydrophobicContact CG-CD1 3.39Å; F259-F282 HydrophobicContact CG-CE1 4.13Å; F259-F282 AromaticContact CG-CG 3.93Å; F259-F282 HydrophobicContact CG-CG 3.93Å; F259-F282 HydrophobicContact CZ-CD1 4.07Å; F259-L283 HydrophobicContact CD2-CG 4.44Å; F259-L283 HydrophobicContact CE1-CD2 4.37Å; F259-L283 HydrophobicContact CE2-CD1 3.61Å; F259-L283 HydrophobicContact CE2-CD2 3.95Å; F259-L283 HydrophobicContact CE2-CG 3.71Å; F259-L283 HydrophobicContact CZ-CD1 3.87Å; F259-L283 HydrophobicContact CZ-CD2 3.77Å; F259-L283 HydrophobicContact CZ-CG 4.03Å
260	V	97.6	Very high	94.1	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-46.3	175.3	172	0	0	0	0	110.9	A214 I215 L246 F256 A262 M263 L264	A214-V260 HydrophobicContact CB-CG2 4.05Å; I215-V260 HydrophobicContact CD1-CG1 3.9Å; I215-V260 HydrophobicContact CG1-CG1 3.94Å; L246-V260 HydrophobicContact CD1-CG2 4.29Å; F256-V260 HydrophobicContact CD2-CG2 3.94Å; F256-V260 HydrophobicContact CE2-CG2 3.61Å; F256-V260 HydrophobicContact CZ-CG2 4.28Å; F256-V260 PolarHBondContact O-N 2.97Å; V260-A262 VanDerWaalsContact C-N 3.31Å; V260-A262 PolarHBondContact O-N 3.18Å; V260-M263 PolarHBondContact O-N 2.71Å; V260-L264 HydrophobicContact CG1-CD1 3.61Å; V260-L264 HydrophobicContact CG1-CG 4.31Å; V260-L264 WeakPolarHBondContact O-CB 3.06Å; V260-L264 WeakPolarHBondContact O-CG 3.26Å; V260-L264 PolarHBondContact O-N 3.17Å
261	K	96.3	Very high	94.6	Very high	134 Å²	134	58.7 Å²	58.7	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-61.5	-32.5	177.3	179.7	-173.2	171.8	-166.2	0	113.7	Y257 N258 F259	Y257-K261 WeakPolarHBondContact O-CB 3.44Å; Y257-K261 PolarHBondContact O-N 2.85Å; Y257-K261 VanDerWaalsContact O-N 3.08Å; N258-K261 PolarHBondContact O-N 3.02Å; F259-K261 PolarHBondContact O-N 2.82Å
262	A	96.9	Very high	94.9	Very high	28 Å²	28	54.7 Å²	54.7	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-73.1	-34.8	178.8	0	0	0	0	0	112.5	N258 F259 V260 V265 P272 M277	N258-A262 WeakPolarHBondContact O-CB 3.44Å; N258-A262 PolarHBondContact O-N 3.3Å; F259-A262 PolarHBondContact O-N 2.72Å; V260-A262 VanDerWaalsContact C-N 3.31Å; V260-A262 PolarHBondContact O-N 3.18Å; A262-V265 WeakPolarHBondContact O-CG2 3.37Å; A262-P272 WeakPolarHBondContact O-CD 3.27Å; A262-M277 HydrophobicContact CB-CE 4.23Å; A262-M277 HydrophobicContact CB-SD 4.16Å
263	M	97.6	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-77	-41.6	175.3	-68.2	-174.5	-71.3	0	0	112.3	V207 V210 F259 V260 V265 R271 M277	V207-M263 HydrophobicContact CG1-CB 4.15Å; V207-M263 HydrophobicContact CG1-CG 3.78Å; V207-M263 HydrophobicContact CG1-SD 4.37Å; V207-M263 WeakPolarHBondContact O-CB 3.33Å; V210-M263 HydrophobicContact CB-SD 3.95Å; V210-M263 HydrophobicContact CG1-CE 4.31Å; V210-M263 HydrophobicContact CG1-SD 3.68Å; F259-M263 HydrophobicContact CD1-CE 3.46Å; F259-M263 VanDerWaalsContact CD1-CE 3.46Å; F259-M263 HydrophobicContact CD2-CE 4.32Å; F259-M263 HydrophobicContact CE1-CE 3.2Å; F259-M263 HydrophobicContact CE1-SD 4.22Å; F259-M263 HydrophobicContact CE2-CE 4.1Å; F259-M263 HydrophobicContact CE2-SD 4.36Å; F259-M263 HydrophobicContact CG-CE 4.02Å; F259-M263 HydrophobicContact CZ-CE 3.54Å; F259-M263 HydrophobicContact CZ-SD 3.96Å; F259-M263 PolarHBondContact O-N 2.7Å; V260-M263 PolarHBondContact O-N 2.71Å; M263-V265 PolarHBondContact O-N 2.98Å; M263-R271 VanDerWaalsContact O-CD 3.23Å; M263-R271 WeakPolarHBondContact O-CD 3.25Å; M263-R271 WeakPolarHBondContact O-CG 3.3Å; M263-R271 PolarHBondContact O-NE 3.47Å; M263-M277 HydrophobicContact CG-CE 3.63Å; M263-M277 HydrophobicContact CG-CG 4.13Å; M263-M277 HydrophobicContact CG-SD 3.96Å; M263-M277 HydrophobicContact SD-CE 4.2Å
264	L	96.9	Very high	95.1	Very high	5 Å²	5	54 Å²	54	3%	0.026	28%	0.275	C	S	.	.			trans	-79.2	40.5	-178.4	-60.4	-179.4	0	0	0	113.3	W208 I212 I215 P243 P244 V260	W208-L264 HydrophobicContact CD2-CD2 3.59Å; W208-L264 HydrophobicContact CE3-CB 4.28Å; W208-L264 HydrophobicContact CE3-CD2 3.91Å; W208-L264 HydrophobicContact CG-CD2 3.96Å; W208-L264 HydrophobicContact CH2-CB 4.48Å; W208-L264 HydrophobicContact CH2-CD2 4.39Å; W208-L264 HydrophobicContact CZ2-CD2 4.13Å; W208-L264 VanDerWaalsContact CZ3-C 3.47Å; W208-L264 HydrophobicContact CZ3-CB 4.11Å; W208-L264 HydrophobicContact CZ3-CD2 4.29Å; W208-L264 WeakPolarHBondContact CZ3-O 3.17Å; W208-L264 WeakPolarHBondContact O-CD2 3.45Å; I212-L264 HydrophobicContact CD1-CD1 4.34Å; I212-L264 HydrophobicContact CD1-CD2 3.74Å; I212-L264 HydrophobicContact CG1-CD2 4.07Å; I215-L264 HydrophobicContact CD1-CD1 3.79Å; P243-L264 HydrophobicContact CB-CB 4.12Å; P243-L264 WeakPolarHBondContact CB-O 3.47Å; P243-L264 WeakPolarHBondContact CG-O 3.48Å; P244-L264 HydrophobicContact CG-CD1 4.04Å; P244-L264 VanDerWaalsContact O-CD1 3.31Å; P244-L264 WeakPolarHBondContact O-CD1 3.38Å; V260-L264 HydrophobicContact CG1-CD1 3.61Å; V260-L264 HydrophobicContact CG1-CG 4.31Å; V260-L264 WeakPolarHBondContact O-CB 3.06Å; V260-L264 WeakPolarHBondContact O-CG 3.26Å; V260-L264 PolarHBondContact O-N 3.17Å
265	V	95	Very high	95.3	Very high	42 Å²	42	51.9 Å²	51.9	26%	0.255	26%	0.263	S	S	.	.			trans	-83.1	116.8	171.8	175.4	0	0	0	0	109.3	A262 M263 N267 K270 R271	A262-V265 WeakPolarHBondContact O-CG2 3.37Å; M263-V265 PolarHBondContact O-N 2.98Å; V265-N267 VanDerWaalsContact C-N 3.34Å; V265-N267 PolarHBondContact O-N 3.39Å; V265-K270 HydrophobicContact CG1-CB 3.79Å; V265-R271 HydrophobicContact CB-CB 4.33Å; V265-R271 HydrophobicContact CB-CG 4.42Å; V265-R271 PolarHBondContact O-NE 2.91Å; V265-R271 PolarHBondContact O-NH2 3.22Å
266	R	90.2	Very high	95.4	Very high	67 Å²	67	54.7 Å²	54.7	25%	0.253	27%	0.271	S	S	.	.	S	Bend	trans	-61.7	-34.5	-175.6	-176.7	171.4	-172	-165.2	1.6	114.5	P190 M236 S237 K238 S239 Y241 P243 P268	P190-R266 HydrophobicContact CB-CG 4.1Å; P190-R266 HydrophobicContact CG-CG 4.15Å; M236-R266 PolarHBondContact O-NH2 3.15Å; S237-R266 PolarHBondContact O-NH2 3.3Å; K238-R266 PolarHBondContact O-NH1 2.79Å; K238-R266 PolarHBondContact O-NH2 3.45Å; S239-R266 PolarHBondContact O-NH1 2.83Å; Y241-R266 PolarHBondContact O-NH1 3.46Å; P243-R266 HydrophobicContact CG-CB 4.15Å; R266-P268 WeakPolarHBondContact O-CD 3.4Å
267	N	89.6	Confident	95.4	Very high	78 Å²	78	54.9 Å²	54.9	42%	0.417	27%	0.272	S	S	.	.	S	Bend	trans	-86.1	111.2	177.5	-179.3	-13.1	0	0	0	108.8	V265 K269 K270 R271	V265-N267 VanDerWaalsContact C-N 3.34Å; V265-N267 PolarHBondContact O-N 3.39Å; N267-K269 PolarHBondContact O-N 2.89Å; N267-K269 WeakPolarHBondContact OD1-CB 3.47Å; N267-K269 PolarHBondContact OD1-N 3.14Å; N267-K270 HydrophobicContact CB-CB 4.42Å; N267-K270 PolarHBondContact O-N 3Å; N267-R271 PolarHBondContact O-N 3.38Å
268	P	89.3	Confident	95.5	Very high	28 Å²	28	54.3 Å²	54.3	18%	0.182	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58.8	-33	-177.7	23.5	-34.1	0	0	0	112.1	E191 L204 R266 K270 R271	E191-P268 HydrophobicContact CB-CG 4.32Å; E191-P268 HydrophobicContact CG-CB 4.42Å; E191-P268 HydrophobicContact CG-CG 4.07Å; L204-P268 VanDerWaalsContact CD1-O 3.23Å; L204-P268 WeakPolarHBondContact CD1-O 3.07Å; R266-P268 WeakPolarHBondContact O-CD 3.4Å; P268-K270 PolarHBondContact O-N 2.96Å; P268-R271 WeakPolarHBondContact O-CB 3.44Å; P268-R271 PolarHBondContact O-N 2.96Å
269	K	90.1	Very high	95.6	Very high	199 Å²	199	55 Å²	55	87%	0.865	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.2	-9.6	175.4	-57.4	-171	179.2	-172.4	0	114.4	N267	N267-K269 PolarHBondContact O-N 2.89Å; N267-K269 WeakPolarHBondContact OD1-CB 3.47Å; N267-K269 PolarHBondContact OD1-N 3.14Å
270	K	94.4	Very high	95.6	Very high	164 Å²	164	56.8 Å²	56.8	71%	0.713	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-113.5	-1.4	173.1	-66.7	-169	174.9	-171.9	0	112.8	V265 N267 P268	V265-K270 HydrophobicContact CG1-CB 3.79Å; N267-K270 HydrophobicContact CB-CB 4.42Å; N267-K270 PolarHBondContact O-N 3Å; P268-K270 PolarHBondContact O-N 2.96Å
271	R	96.4	Very high	95.5	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.045	31%	0.313	C	S	.	.	S	Bend	trans	-82.2	135.2	177.9	-161.4	179.3	-57.7	143.1	7.5	109.2	E191 L204 V207 M263 V265 N267 P268	E191-R271 IonicContact OE1-CZ 3.91Å; E191-R271 IonicContact OE1-NH1 3.24Å; E191-R271 PolarHBondContact OE1-NH1 3.5Å; E191-R271 IonicContact OE1-NH2 3.94Å; E191-R271 PolarHBondContact OE1-NH2 3.09Å; E191-R271 IonicContact OE2-CZ 2.89Å; E191-R271 IonicContact OE2-NH1 2.72Å; E191-R271 IonicContact OE2-NH2 3.39Å; E191-R271 PolarHBondContact OE2-NH2 3.49Å; L204-R271 VanDerWaalsContact O-CD 3.3Å; L204-R271 WeakPolarHBondContact O-CD 3.29Å; L204-R271 PolarHBondContact O-NH1 3.23Å; V207-R271 HydrophobicContact CG1-CG 4.4Å; M263-R271 VanDerWaalsContact O-CD 3.23Å; M263-R271 WeakPolarHBondContact O-CD 3.25Å; M263-R271 WeakPolarHBondContact O-CG 3.3Å; M263-R271 PolarHBondContact O-NE 3.47Å; V265-R271 HydrophobicContact CB-CB 4.33Å; V265-R271 HydrophobicContact CB-CG 4.42Å; V265-R271 PolarHBondContact O-NE 2.91Å; V265-R271 PolarHBondContact O-NH2 3.22Å; N267-R271 PolarHBondContact O-N 3.38Å; P268-R271 WeakPolarHBondContact O-CB 3.44Å; P268-R271 PolarHBondContact O-N 2.96Å
272	P	97	Very high	95.6	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.143	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.1	152.7	174.6	27.9	-34.3	0	0	0	111.8	A262 K276 M277	A262-P272 WeakPolarHBondContact O-CD 3.27Å; P272-K276 HydrophobicContact CB-CB 4.05Å; P272-K276 HydrophobicContact CB-CD 4.02Å; P272-K276 HydrophobicContact CB-CG 3.97Å; P272-M277 HydrophobicContact CB-CG 4.11Å; P272-M277 HydrophobicContact CB-SD 3.87Å; P272-M277 HydrophobicContact CG-CG 3.81Å; P272-M277 HydrophobicContact CG-SD 3.21Å; P272-M277 WeakPolarHBondContact CG-SD 3.45Å
273	S	97.6	Very high	95.5	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-77	169.3	169.8	58.1	0	0	0	0	112.3	K276 M277	S273-K276 PolarHBondContact O-N 3.35Å; S273-K276 VanDerWaalsContact O-N 3.12Å; S273-M277 PolarHBondContact O-N 3.07Å
274	A	96.9	Very high	95.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.1	-54.2	176.8	0	0	0	0	0	112.3	L131 L134 D135 K276 M277 L278	L131-A274 HydrophobicContact CD2-CB 4.09Å; L134-A274 HydrophobicContact CB-CB 4.26Å; D135-A274 HydrophobicContact CB-CB 3.74Å; A274-K276 PolarHBondContact O-N 2.83Å; A274-K276 VanDerWaalsContact O-N 3.14Å; A274-M277 PolarHBondContact O-N 3.31Å; A274-L278 PolarHBondContact O-N 2.85Å
275	A	97.3	Very high	95	Very high	50 Å²	50	60.1 Å²	60.1	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-47.4	-42.3	171.3	0	0	0	0	0	113.7	D135 L278	D135-A275 WeakPolarHBondContact OD1-CA 3.34Å; D135-A275 VanDerWaalsContact OD1-CB 3.24Å; D135-A275 WeakPolarHBondContact OD1-CB 3.5Å; D135-A275 PolarHBondContact OD1-N 2.86Å; A275-L278 PolarHBondContact O-N 3.02Å
276	K	97.4	Very high	94.5	Very high	141 Å²	141	66.5 Å²	66.5	61%	0.613	34%	0.344	S	S	*	.	H	α-helix	trans	-71.1	-38.6	179.7	-174.7	163.8	-177.9	171.2	0	111.6	P272 S273 A274 L278 S279	P272-K276 HydrophobicContact CB-CB 4.05Å; P272-K276 HydrophobicContact CB-CD 4.02Å; P272-K276 HydrophobicContact CB-CG 3.97Å; S273-K276 PolarHBondContact O-N 3.35Å; S273-K276 VanDerWaalsContact O-N 3.12Å; A274-K276 PolarHBondContact O-N 2.83Å; A274-K276 VanDerWaalsContact O-N 3.14Å; K276-L278 VanDerWaalsContact C-N 3.33Å; K276-L278 PolarHBondContact O-N 2.68Å; K276-S279 PolarHBondContact O-N 2.77Å; K276-S279 PolarHBondContact O-OG 3.38Å
277	M	98	Very high	94.3	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.02	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-32.2	175.4	-71.4	-54.4	-54.7	0	0	113.2	L131 V207 F259 A262 M263 P272 S273 A274 S279 H280 L283	L131-M277 HydrophobicContact CD1-CB 3.75Å; L131-M277 HydrophobicContact CD2-CB 4.26Å; V207-M277 HydrophobicContact CG1-CG 4.09Å; F259-M277 HydrophobicContact CD2-CE 3.19Å; F259-M277 HydrophobicContact CE2-CE 3.22Å; F259-M277 HydrophobicContact CG-CE 4.22Å; F259-M277 HydrophobicContact CZ-CE 4.25Å; A262-M277 HydrophobicContact CB-CE 4.23Å; A262-M277 HydrophobicContact CB-SD 4.16Å; M263-M277 HydrophobicContact CG-CE 3.63Å; M263-M277 HydrophobicContact CG-CG 4.13Å; M263-M277 HydrophobicContact CG-SD 3.96Å; M263-M277 HydrophobicContact SD-CE 4.2Å; P272-M277 HydrophobicContact CB-CG 4.11Å; P272-M277 HydrophobicContact CB-SD 3.87Å; P272-M277 HydrophobicContact CG-CG 3.81Å; P272-M277 HydrophobicContact CG-SD 3.21Å; P272-M277 WeakPolarHBondContact CG-SD 3.45Å; S273-M277 PolarHBondContact O-N 3.07Å; A274-M277 PolarHBondContact O-N 3.31Å; M277-S279 PolarHBondContact O-N 3.15Å; M277-H280 HydrophobicContact CE-CB 4.24Å; M277-H280 WeakPolarHBondContact O-CB 3.37Å; M277-H280 PolarHBondContact O-N 2.81Å; M277-L283 WeakPolarHBondContact O-CD1 3.37Å
278	L	97.5	Very high	94.4	Very high	42 Å²	42	65.3 Å²	65.3	22%	0.22	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-24.8	176.6	-70.8	172.9	0	0	0	113.9	R128 L131 Q132 D135 A274 A275 K276 L283	R128-L278 HydrophobicContact CG-CD2 4.01Å; L131-L278 HydrophobicContact CB-CD2 3.6Å; L131-L278 HydrophobicContact CB-CG 4.05Å; Q132-L278 HydrophobicContact CG-CD1 4.05Å; Q132-L278 HydrophobicContact CG-CD2 3.88Å; D135-L278 HydrophobicContact CB-CD1 4.42Å; A274-L278 PolarHBondContact O-N 2.85Å; A275-L278 PolarHBondContact O-N 3.02Å; K276-L278 VanDerWaalsContact C-N 3.33Å; K276-L278 PolarHBondContact O-N 2.68Å; L278-L283 HydrophobicContact CD2-CD1 4.38Å
279	S	97.1	Very high	94.5	Very high	86 Å²	86	66.7 Å²	66.7	60%	0.601	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1	173.3	65.5	0	0	0	0	115.2	K276 M277	K276-S279 PolarHBondContact O-N 2.77Å; K276-S279 PolarHBondContact O-OG 3.38Å; M277-S279 PolarHBondContact O-N 3.15Å
280	H	97.9	Very high	94.6	Very high	37 Å²	37	60.5 Å²	60.5	17%	0.171	33%	0.329	C	S	.	.	S	Bend	trans	-70.6	138.9	-178.3	-170	-95.2	0	0	0	111.6	N255 F259 M277 F282 L283 T284	N255-H280 PolarHBondContact O-CE1 3.36Å; F259-H280 HydrophobicContact CD2-CB 4.13Å; F259-H280 AromaticContact CD2-CG 3.86Å; F259-H280 AromaticContact CD2-ND1 3.51Å; M277-H280 HydrophobicContact CE-CB 4.24Å; M277-H280 WeakPolarHBondContact O-CB 3.37Å; M277-H280 PolarHBondContact O-N 2.81Å; H280-F282 VanDerWaalsContact ND1-CB 3.32Å; H280-F282 WeakPolarHBondContact ND1-CB 3.48Å; H280-F282 PolarHBondContact ND1-N 2.87Å; H280-F282 PolarHBondContact O-N 2.88Å; H280-L283 PolarHBondContact O-N 3.02Å; H280-T284 PolarHBondContact O-N 2.95Å; H280-T284 PolarHBondContact O-OG1 2.87Å
281	P	96.4	Very high	94.6	Very high	73 Å²	73	59.2 Å²	59.2	47%	0.474	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.5	-177.9	-31.1	36.9	0	0	0	116.3	T284 Q285	P281-T284 WeakPolarHBondContact CA-OG1 3.23Å; P281-Q285 PolarHBondContact O-N 3.1Å
282	F	97	Very high	94.5	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.4	174.7	-173.9	-116.4	0	0	0	113.7	E120 A124 N255 F256 F259 H280 Q285	E120-F282 HydrophobicContact CG-CE2 3.56Å; E120-F282 HydrophobicContact CG-CZ 4.05Å; A124-F282 HydrophobicContact CB-CD1 4.09Å; A124-F282 HydrophobicContact CB-CD2 4.39Å; A124-F282 HydrophobicContact CB-CE1 3.64Å; A124-F282 HydrophobicContact CB-CE2 3.93Å; A124-F282 HydrophobicContact CB-CG 4.46Å; A124-F282 HydrophobicContact CB-CZ 3.55Å; N255-F282 HydrophobicContact CB-CD2 4.47Å; F256-F282 HydrophobicContact CB-CD2 3.96Å; F256-F282 HydrophobicContact CB-CE2 3.48Å; F256-F282 VanDerWaalsContact CB-CE2 3.48Å; F256-F282 HydrophobicContact CB-CZ 3.98Å; F256-F282 HydrophobicContact CD2-CD1 4.47Å; F256-F282 AromaticContact CD2-CE1 3.71Å; F256-F282 HydrophobicContact CD2-CE1 3.71Å; F256-F282 AromaticContact CD2-CE2 3.77Å; F256-F282 HydrophobicContact CD2-CE2 3.77Å; F256-F282 AromaticContact CD2-CZ 3.3Å; F256-F282 HydrophobicContact CD2-CZ 3.3Å; F256-F282 HydrophobicContact CE2-CE1 4.19Å; F256-F282 AromaticContact CE2-CZ 3.93Å; F256-F282 HydrophobicContact CE2-CZ 3.93Å; F256-F282 AromaticContact CG-CE2 3.8Å; F256-F282 HydrophobicContact CG-CE2 3.8Å; F256-F282 AromaticContact CG-CZ 3.75Å; F256-F282 HydrophobicContact CG-CZ 3.75Å; F259-F282 HydrophobicContact CB-CB 3.88Å; F259-F282 HydrophobicContact CB-CD1 3.88Å; F259-F282 HydrophobicContact CB-CG 3.94Å; F259-F282 AromaticContact CD1-CD1 3.22Å; F259-F282 HydrophobicContact CD1-CD1 3.22Å; F259-F282 AromaticContact CD1-CE1 3.5Å; F259-F282 HydrophobicContact CD1-CE1 3.5Å; F259-F282 VanDerWaalsContact CD1-CE1 3.5Å; F259-F282 HydrophobicContact CD1-CG 4.15Å; F259-F282 HydrophobicContact CD2-CB 4.08Å; F259-F282 AromaticContact CD2-CD1 3.88Å; F259-F282 HydrophobicContact CD2-CD1 3.88Å; F259-F282 HydrophobicContact CD2-CG 4.38Å; F259-F282 AromaticContact CE1-CD1 3.59Å; F259-F282 HydrophobicContact CE1-CD1 3.59Å; F259-F282 AromaticContact CE1-CE1 3.73Å; F259-F282 HydrophobicContact CE1-CE1 3.73Å; F259-F282 HydrophobicContact CE2-CD1 4.19Å; F259-F282 HydrophobicContact CG-CB 3.99Å; F259-F282 AromaticContact CG-CD1 3.39Å; F259-F282 HydrophobicContact CG-CD1 3.39Å; F259-F282 HydrophobicContact CG-CE1 4.13Å; F259-F282 AromaticContact CG-CG 3.93Å; F259-F282 HydrophobicContact CG-CG 3.93Å; F259-F282 HydrophobicContact CZ-CD1 4.07Å; H280-F282 VanDerWaalsContact ND1-CB 3.32Å; H280-F282 WeakPolarHBondContact ND1-CB 3.48Å; H280-F282 PolarHBondContact ND1-N 2.87Å; H280-F282 PolarHBondContact O-N 2.88Å; F282-Q285 PolarHBondContact O-NE2 2.92Å
283	L	96.3	Very high	94.4	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-13.8	-177.1	-53.7	-174.4	0	0	0	113.1	A124 C127 R128 L131 F259 M277 L278 H280	A124-L283 VanDerWaalsContact O-CD2 3.23Å; A124-L283 WeakPolarHBondContact O-CD2 3.29Å; C127-L283 HydrophobicContact CB-CD2 4.12Å; R128-L283 HydrophobicContact CB-CB 4.37Å; R128-L283 HydrophobicContact CB-CD1 4.41Å; R128-L283 HydrophobicContact CB-CD2 4.22Å; R128-L283 HydrophobicContact CG-CB 4.46Å; L131-L283 HydrophobicContact CD1-CD1 3.62Å; F259-L283 HydrophobicContact CD2-CG 4.44Å; F259-L283 HydrophobicContact CE1-CD2 4.37Å; F259-L283 HydrophobicContact CE2-CD1 3.61Å; F259-L283 HydrophobicContact CE2-CD2 3.95Å; F259-L283 HydrophobicContact CE2-CG 3.71Å; F259-L283 HydrophobicContact CZ-CD1 3.87Å; F259-L283 HydrophobicContact CZ-CD2 3.77Å; F259-L283 HydrophobicContact CZ-CG 4.03Å; M277-L283 WeakPolarHBondContact O-CD1 3.37Å; L278-L283 HydrophobicContact CD2-CD1 4.38Å; H280-L283 PolarHBondContact O-N 3.02Å
284	T	93	Very high	94.3	Very high	89 Å²	89	60.4 Å²	60.4	55%	0.546	33%	0.328	S	S	.	.	S	Bend	trans	-101.5	8.5	177.3	58.1	0	0	0	0	113.3	H280 P281	H280-T284 PolarHBondContact O-N 2.95Å; H280-T284 PolarHBondContact O-OG1 2.87Å; P281-T284 WeakPolarHBondContact CA-OG1 3.23Å
285	Q	90.3	Very high	94.1	Very high	71 Å²	71	63.2 Å²	63.2	33%	0.332	34%	0.342	S	S	.	.	S	Bend	trans	-65.4	154.3	170	71.1	-177.2	-59.7	0	0	111.5	P281 F282 L288	P281-Q285 PolarHBondContact O-N 3.1Å; F282-Q285 PolarHBondContact O-NE2 2.92Å; Q285-L288 HydrophobicContact CG-CD1 3.73Å; Q285-L288 HydrophobicContact CG-CD2 3.94Å; Q285-L288 HydrophobicContact CG-CG 3.64Å
286	Q	85	Confident	93.8	Very high	177 Å²	177	61 Å²	61	83%	0.827	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	162.4	180	-65.7	-179.4	-8.7	0	0	111.7	L288	Q286-L288 VanDerWaalsContact C-N 3.25Å; Q286-L288 PolarHBondContact O-N 3.15Å
287	C	85.8	Confident	93.6	Very high	106 Å²	106	54.5 Å²	54.5	72%	0.716	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	15.8	176.4	-52.8	0	0	0	0	116.8	N289	C287-N289 PolarHBondContact O-N 3.07Å
288	L	91.4	Very high	93.2	Very high	13 Å²	13	57 Å²	57	7%	0.068	31%	0.309	C	S	.	.			trans	-76.8	86.2	168.2	-64.4	-169.8	0	0	0	111.4	P121 A124 R128 Q285 Q286 L292	P121-L288 HydrophobicContact CB-CD2 4.17Å; P121-L288 WeakPolarHBondContact O-CD2 3.48Å; A124-L288 HydrophobicContact CB-CD1 3.74Å; A124-L288 HydrophobicContact CB-CD2 3.82Å; A124-L288 HydrophobicContact CB-CG 4.46Å; R128-L288 VanDerWaalsContact NH1-CB 3.33Å; R128-L288 PolarHBondContact NH1-O 2.64Å; R128-L288 PolarHBondContact NH2-O 3.44Å; R128-L288 VanDerWaalsContact NH2-O 3.09Å; Q285-L288 HydrophobicContact CG-CD1 3.73Å; Q285-L288 HydrophobicContact CG-CD2 3.94Å; Q285-L288 HydrophobicContact CG-CG 3.64Å; Q286-L288 VanDerWaalsContact C-N 3.25Å; Q286-L288 PolarHBondContact O-N 3.15Å; L288-L292 HydrophobicContact CD2-CD1 3.89Å
289	N	92.2	Very high	92.8	Very high	57 Å²	57	58.1 Å²	58.1	31%	0.305	31%	0.312	S	S	.	.	S	Bend	trans	-126.8	178.5	179.8	70.4	11.4	0	0	0	112.3	Y125 C287 E291 L292	Y125-N289 WeakPolarHBondContact CD2-O 3.37Å; Y125-N289 VanDerWaalsContact CE2-C 3.48Å; C287-N289 PolarHBondContact O-N 3.07Å; N289-E291 PolarHBondContact ND2-OE2 3.44Å; N289-E291 PolarHBondContact O-N 3.16Å; N289-E291 VanDerWaalsContact OD1-CB 3.29Å; N289-E291 WeakPolarHBondContact OD1-CB 2.92Å; N289-E291 PolarHBondContact OD1-N 2.75Å; N289-E291 VanDerWaalsContact OD1-N 3.12Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 PolarHBondContact O-N 3.02Å
290	Q	91.9	Very high	92.2	Very high	69 Å²	69	56.7 Å²	56.7	32%	0.322	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.3	-178.5	-169.8	169.4	14.9	0	0	114	Q157 E159 L292 T293 L294	Q157-Q290 VanDerWaalsContact O-CD 3.31Å; Q157-Q290 WeakPolarHBondContact O-CG 3.17Å; Q157-Q290 PolarHBondContact O-NE2 3.18Å; E159-Q290 VanDerWaalsContact CG-NE2 3.31Å; Q290-L292 PolarHBondContact O-N 3.17Å; Q290-T293 PolarHBondContact O-N 2.97Å; Q290-T293 PolarHBondContact O-OG1 2.82Å; Q290-T293 VanDerWaalsContact O-OG1 3.09Å; Q290-L294 HydrophobicContact CG-CD1 4.31Å; Q290-L294 WeakPolarHBondContact O-CG 3.47Å; Q290-L294 PolarHBondContact O-N 3Å
291	E	93.8	Very high	91.6	Very high	137 Å²	137	59.9 Å²	59.9	64%	0.64	31%	0.309	S	S	*	.	H	α-helix	trans	-66.1	-28.8	176.8	-54	176.1	138.6	0	0	111	N289 L294 D295	N289-E291 PolarHBondContact ND2-OE2 3.44Å; N289-E291 PolarHBondContact O-N 3.16Å; N289-E291 VanDerWaalsContact OD1-CB 3.29Å; N289-E291 WeakPolarHBondContact OD1-CB 2.92Å; N289-E291 PolarHBondContact OD1-N 2.75Å; N289-E291 VanDerWaalsContact OD1-N 3.12Å; E291-L294 PolarHBondContact O-N 2.99Å; E291-D295 WeakPolarHBondContact O-CB 3.43Å; E291-D295 PolarHBondContact O-N 3.25Å
292	L	95.2	Very high	91	Very high	34 Å²	34	58.9 Å²	58.9	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-40.9	176.7	-65.1	171.7	0	0	0	112.6	P121 Q122 L288 N289 Q290 L296	P121-L292 HydrophobicContact CB-CD1 4.06Å; P121-L292 HydrophobicContact CB-CD2 4.1Å; Q122-L292 HydrophobicContact CG-CB 3.93Å; Q122-L292 WeakPolarHBondContact CG-O 3.27Å; Q122-L292 PolarHBondContact NE2-O 2.86Å; L288-L292 HydrophobicContact CD2-CD1 3.89Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 PolarHBondContact O-N 3.02Å; Q290-L292 PolarHBondContact O-N 3.17Å; L292-L296 PolarHBondContact O-N 3.44Å
293	T	95.1	Very high	89.8	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-80.9	-29.7	175.3	34.7	0	0	0	0	112.4	Y125 V126 L154 G158 V160 Q290 L296 L297	Y125-T293 HydrophobicContact CD1-CG2 3.71Å; Y125-T293 HydrophobicContact CE1-CG2 3.7Å; Y125-T293 WeakPolarHBondContact CE1-OG1 3.46Å; V126-T293 HydrophobicContact CG2-CG2 4.2Å; L154-T293 HydrophobicContact CD1-CG2 3.9Å; L154-T293 HydrophobicContact CD2-CG2 3.95Å; G158-T293 WeakPolarHBondContact O-CB 3.44Å; G158-T293 PolarHBondContact O-OG1 2.87Å; V160-T293 HydrophobicContact CG2-CG2 4.42Å; Q290-T293 PolarHBondContact O-N 2.97Å; Q290-T293 PolarHBondContact O-OG1 2.82Å; Q290-T293 VanDerWaalsContact O-OG1 3.09Å; T293-L296 WeakPolarHBondContact O-CB 3.45Å; T293-L296 PolarHBondContact O-N 2.9Å; T293-L297 WeakPolarHBondContact O-CG 3.38Å; T293-L297 PolarHBondContact O-N 2.88Å
294	L	94.9	Very high	88.1	Confident	75 Å²	75	66.6 Å²	66.6	39%	0.393	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-39.1	171.4	-74.2	167.4	0	0	0	112.6	Q157 Q290 E291 L296 L297 D298	Q157-L294 WeakPolarHBondContact O-CD2 3.49Å; Q290-L294 HydrophobicContact CG-CD1 4.31Å; Q290-L294 WeakPolarHBondContact O-CG 3.47Å; Q290-L294 PolarHBondContact O-N 3Å; E291-L294 PolarHBondContact O-N 2.99Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 PolarHBondContact O-N 3.11Å; L294-L297 PolarHBondContact O-N 3.48Å; L294-D298 PolarHBondContact O-N 3.43Å
295	D	92.8	Very high	86.3	Confident	58 Å²	58	69 Å²	69	31%	0.31	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-42.3	169.7	165.8	78.7	0	0	0	111.8	Q122 E291 L297 D298 K299	Q122-D295 PolarHBondContact NE2-OD2 3.49Å; E291-D295 WeakPolarHBondContact O-CB 3.43Å; E291-D295 PolarHBondContact O-N 3.25Å; D295-L297 VanDerWaalsContact C-N 3.35Å; D295-D298 PolarHBondContact O-N 3.43Å; D295-K299 WeakPolarHBondContact O-CG 3.19Å; D295-K299 PolarHBondContact O-N 3.14Å; D295-K299 WeakPolarHBondContact OD1-CE 3.15Å; D295-K299 IonicContact OD1-NZ 2.72Å; D295-K299 PolarHBondContact OD1-NZ 3.45Å; D295-K299 IonicContact OD2-NZ 2.72Å; D295-K299 PolarHBondContact OD2-NZ 2.74Å
296	L	91.8	Very high	84.5	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-39	177	-163.9	70.2	0	0	0	111.5	L108 I111 T115 L118 L292 T293 L294 K299 F300	L108-L296 HydrophobicContact CD2-CD2 4.45Å; I111-L296 HydrophobicContact CG2-CD1 4.33Å; I111-L296 HydrophobicContact CG2-CD2 3.66Å; I111-L296 HydrophobicContact CG2-CG 3.6Å; T115-L296 HydrophobicContact CG2-CD1 4.17Å; L118-L296 HydrophobicContact CD1-CD1 4.31Å; L118-L296 HydrophobicContact CD1-CD2 4.15Å; L118-L296 HydrophobicContact CD2-CD2 3.79Å; L118-L296 HydrophobicContact CG-CD1 4.06Å; L118-L296 HydrophobicContact CG-CD2 3.81Å; L292-L296 PolarHBondContact O-N 3.44Å; T293-L296 WeakPolarHBondContact O-CB 3.45Å; T293-L296 PolarHBondContact O-N 2.9Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 PolarHBondContact O-N 3.11Å; L296-K299 PolarHBondContact O-N 3.47Å; L296-F300 WeakPolarHBondContact O-CB 3.22Å; L296-F300 PolarHBondContact O-N 3.21Å
297	L	91.9	Very high	82.7	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-70.7	-33.6	175.1	-72.3	171.6	0	0	0	113.1	I111 L154 N155 T293 L294 D295 F300 K301	I111-L297 HydrophobicContact CD1-CD2 3.93Å; L154-L297 HydrophobicContact CB-CD1 4.37Å; L154-L297 HydrophobicContact CB-CD2 4.35Å; L154-L297 HydrophobicContact CD1-CD1 4.2Å; L154-L297 HydrophobicContact CD1-CD2 4.09Å; L154-L297 HydrophobicContact CD1-CG 3.97Å; N155-L297 WeakPolarHBondContact O-CD1 3.29Å; T293-L297 WeakPolarHBondContact O-CG 3.38Å; T293-L297 PolarHBondContact O-N 2.88Å; L294-L297 PolarHBondContact O-N 3.48Å; D295-L297 VanDerWaalsContact C-N 3.35Å; L297-F300 PolarHBondContact O-N 3.42Å; L297-K301 VanDerWaalsContact O-CB 3.29Å; L297-K301 WeakPolarHBondContact O-CB 3.33Å; L297-K301 VanDerWaalsContact O-CG 3.23Å; L297-K301 WeakPolarHBondContact O-CG 3.3Å; L297-K301 PolarHBondContact O-N 2.84Å
298	D	90.8	Very high	80.4	Confident	57 Å²	57	64.8 Å²	64.8	31%	0.305	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-45	170	-179	64.5	0	0	0	110.7	L294 D295 F300 K301 N302 H306	L294-D298 PolarHBondContact O-N 3.43Å; D295-D298 PolarHBondContact O-N 3.43Å; D298-F300 VanDerWaalsContact C-N 3.28Å; D298-F300 PolarHBondContact O-N 2.91Å; D298-K301 CarbonylContact O-C 3.53Å; D298-K301 PolarHBondContact O-N 3Å; D298-N302 WeakPolarHBondContact O-CA 3.45Å; D298-N302 VanDerWaalsContact O-CB 3.29Å; D298-N302 WeakPolarHBondContact O-CB 3.46Å; D298-N302 PolarHBondContact O-N 2.99Å; D298-N302 PolarHBondContact OD1-ND2 3.14Å; D298-H306 IonicContact OD2-CD2 2.65Å; D298-H306 IonicContact OD2-CE1 3.19Å; D298-H306 IonicContact OD2-NE2 3.42Å; D298-H306 PolarHBondContact OD2-NE2 3.29Å
299	K	87.4	Confident	77.8	Confident	65 Å²	65	70 Å²	70	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-59.2	-38.4	174.9	-76.9	161.4	179.8	160.2	0	112.5	T115 D295 L296 N302 P303 H306	T115-K299 HydrophobicContact CG2-CB 3.89Å; D295-K299 WeakPolarHBondContact O-CG 3.19Å; D295-K299 PolarHBondContact O-N 3.14Å; D295-K299 WeakPolarHBondContact OD1-CE 3.15Å; D295-K299 IonicContact OD1-NZ 2.72Å; D295-K299 PolarHBondContact OD1-NZ 3.45Å; D295-K299 IonicContact OD2-NZ 2.72Å; D295-K299 PolarHBondContact OD2-NZ 2.74Å; L296-K299 PolarHBondContact O-N 3.47Å; K299-N302 CarbonylContact O-C 3.29Å; K299-P303 WeakPolarHBondContact O-CA 3.27Å; K299-H306 WeakPolarHBondContact CE-ND1 3.28Å; K299-H306 HydrophobicContact CG-CB 4.13Å; K299-H306 VanDerWaalsContact CG-CD2 3.5Å; K299-H306 WeakPolarHBondContact CG-CD2 3.44Å
300	F	86.1	Confident	74.9	Confident	56 Å²	56	73.1 Å²	73.1	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-66.9	-44.1	174.2	-176.5	-111.1	0	0	0	112.8	D110 I111 V114 T115 L296 L297 D298	D110-F300 WeakPolarHBondContact O-CE2 3.32Å; I111-F300 HydrophobicContact CB-CD2 4.24Å; I111-F300 HydrophobicContact CG1-CD1 4.39Å; I111-F300 HydrophobicContact CG1-CD2 4.09Å; I111-F300 HydrophobicContact CG1-CE2 4.3Å; I111-F300 HydrophobicContact CG1-CG 4.14Å; I111-F300 HydrophobicContact CG2-CB 4.4Å; I111-F300 HydrophobicContact CG2-CD2 4.41Å; V114-F300 HydrophobicContact CB-CD2 3.78Å; V114-F300 HydrophobicContact CB-CE2 3.96Å; V114-F300 HydrophobicContact CG1-CD2 4.06Å; V114-F300 HydrophobicContact CG1-CE2 4.49Å; V114-F300 HydrophobicContact CG2-CD2 4.1Å; V114-F300 HydrophobicContact CG2-CE2 3.74Å; T115-F300 HydrophobicContact CG2-CB 4.05Å; L296-F300 WeakPolarHBondContact O-CB 3.22Å; L296-F300 PolarHBondContact O-N 3.21Å; L297-F300 PolarHBondContact O-N 3.42Å; D298-F300 VanDerWaalsContact C-N 3.28Å; D298-F300 PolarHBondContact O-N 2.91Å
301	K	84.1	Confident	71.9	Confident	105 Å²	105	74.9 Å²	74.9	46%	0.457	40%	0.399	S	S	.	.	H	α-helix	trans	-79.5	-21.9	-178.8	-69.2	169.3	178.2	178	0	113.2	D156 L297 D298	D156-K301 IonicContact OD1-NZ 2.75Å; D156-K301 PolarHBondContact OD1-NZ 2.98Å; L297-K301 VanDerWaalsContact O-CB 3.29Å; L297-K301 WeakPolarHBondContact O-CB 3.33Å; L297-K301 VanDerWaalsContact O-CG 3.23Å; L297-K301 WeakPolarHBondContact O-CG 3.3Å; L297-K301 PolarHBondContact O-N 2.84Å; D298-K301 CarbonylContact O-C 3.53Å; D298-K301 PolarHBondContact O-N 3Å
302	N	84	Confident	68.9	Low	51 Å²	51	72 Å²	72	27%	0.273	39%	0.391	S	S	.	.			trans	-131.9	56	-176.6	-69.6	-67	0	0	0	113.3	D298 K299 E304 K305	D298-N302 WeakPolarHBondContact O-CA 3.45Å; D298-N302 VanDerWaalsContact O-CB 3.29Å; D298-N302 WeakPolarHBondContact O-CB 3.46Å; D298-N302 PolarHBondContact O-N 2.99Å; D298-N302 PolarHBondContact OD1-ND2 3.14Å; K299-N302 CarbonylContact O-C 3.29Å; N302-E304 PolarHBondContact O-N 3.01Å; N302-K305 HydrophobicContact CB-CB 4.37Å; N302-K305 HydrophobicContact CB-CD 3.69Å; N302-K305 HydrophobicContact CB-CG 3.97Å; N302-K305 VanDerWaalsContact CG-CE 3.42Å; N302-K305 PolarHBondContact ND2-NZ 3.33Å; N302-K305 PolarHBondContact O-N 2.91Å; N302-K305 VanDerWaalsContact OD1-CE 3.23Å; N302-K305 WeakPolarHBondContact OD1-CE 3.46Å; N302-K305 PolarHBondContact OD1-NZ 2.86Å; N302-K305 VanDerWaalsContact OD1-NZ 3.14Å
303	P	71.4	Confident	65.9	Low	50 Å²	50	79.2 Å²	79.2	33%	0.325	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.1	-173.5	26.5	-35.9	0	0	0	114.4	V114 K299 K307	V114-P303 HydrophobicContact CG1-CB 4.22Å; K299-P303 WeakPolarHBondContact O-CA 3.27Å; P303-K307 WeakPolarHBondContact O-CE 3.43Å
304	E	60.7	Low	63	Low	120 Å²	120	84.3 Å²	84.3	56%	0.561	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.9	174	-63.8	-56.2	126	0	0	114	N302 K307	N302-E304 PolarHBondContact O-N 3.01Å; E304-K307 IonicContact OE1-NZ 2.7Å; E304-K307 PolarHBondContact OE1-NZ 2.94Å; E304-K307 IonicContact OE2-NZ 3.37Å; E304-K307 PolarHBondContact OE2-NZ 2.81Å
305	K	56.8	Low	60.2	Low	140 Å²	140	89.1 Å²	89.1	61%	0.609	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-29.1	-173.3	-66.9	-176.9	-167.6	163.1	0	114	N302	N302-K305 HydrophobicContact CB-CB 4.37Å; N302-K305 HydrophobicContact CB-CD 3.69Å; N302-K305 HydrophobicContact CB-CG 3.97Å; N302-K305 VanDerWaalsContact CG-CE 3.42Å; N302-K305 PolarHBondContact ND2-NZ 3.33Å; N302-K305 PolarHBondContact O-N 2.91Å; N302-K305 VanDerWaalsContact OD1-CE 3.23Å; N302-K305 WeakPolarHBondContact OD1-CE 3.46Å; N302-K305 PolarHBondContact OD1-NZ 2.86Å; N302-K305 VanDerWaalsContact OD1-NZ 3.14Å
306	H	51	Low	57.6	Low	80 Å²	80	91 Å²	91	37%	0.37	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	21.9	-166.4	-68.5	-87.6	0	0	0	114.1	D298 K299 S308	D298-H306 IonicContact OD2-CD2 2.65Å; D298-H306 IonicContact OD2-CE1 3.19Å; D298-H306 IonicContact OD2-NE2 3.42Å; D298-H306 PolarHBondContact OD2-NE2 3.29Å; K299-H306 WeakPolarHBondContact CE-ND1 3.28Å; K299-H306 HydrophobicContact CG-CB 4.13Å; K299-H306 VanDerWaalsContact CG-CD2 3.5Å; K299-H306 WeakPolarHBondContact CG-CD2 3.44Å; H306-S308 VanDerWaalsContact C-N 3.32Å; H306-S308 PolarHBondContact O-N 3.24Å
307	K	47.8	Very low	55.1	Low	81 Å²	81	99.5 Å²	99.5	35%	0.352	53%	0.529	S	S	.	.			trans	-81	69.7	-175.4	-66.5	-178.5	-177.2	173.7	0	113	P303 E304 L620	P303-K307 WeakPolarHBondContact O-CE 3.43Å; E304-K307 IonicContact OE1-NZ 2.7Å; E304-K307 PolarHBondContact OE1-NZ 2.94Å; E304-K307 IonicContact OE2-NZ 3.37Å; E304-K307 PolarHBondContact OE2-NZ 2.81Å; K307-L620 VanDerWaalsContact CE-O 3.25Å; K307-L620 WeakPolarHBondContact CE-O 3.48Å; K307-L620 PolarHBondContact NZ-O 3.29Å
308	S	37	Very low	53.1	Low	103 Å²	103	102.7 Å²	102.7	72%	0.72	54%	0.544	S	S	*	.			trans	-122.7	115	171.4	60.6	0	0	0	0	112.2	H306	H306-S308 VanDerWaalsContact C-N 3.32Å; H306-S308 PolarHBondContact O-N 3.24Å
309	C	36.3	Very low	50.8	Low	123 Å²	123	106.6 Å²	106.6	83%	0.831	57%	0.57	S	S	*	*			trans	57.3	90.1	165.1	-162.7	0	0	0	0	118.2
310	V	31.5	Very low	49.1	Very low	122 Å²	122	106.4 Å²	106.4	74%	0.739	58%	0.58	S	S	*	*				-148.4	107.6	117.9	-179.3	0	0	0	0	108.2	T312	V310-T312 HydrophobicContact CG1-CG2 4.19Å
311	S	29.4	Very low	47.5	Very low	107 Å²	107	104.9 Å²	104.9	75%	0.748	58%	0.576	S	S	*	*			trans	-85.9	104.1	162.2	48.8	0	0	0	0	108.8
312	T	30.3	Very low	46.2	Very low	77 Å²	77	103.7 Å²	103.7	47%	0.472	58%	0.579	S	S	.	*			trans	-88.7	120.7	164	24.3	0	0	0	0	109.6	V310 D314 R623	V310-T312 HydrophobicContact CG1-CG2 4.19Å; T312-D314 PolarHBondContact O-N 3.17Å; T312-R623 PolarHBondContact OG1-NH1 2.87Å
313	E	32.4	Very low	45	Very low	185 Å²	185	105.2 Å²	105.2	86%	0.864	60%	0.599	S	S	*	*			trans	-68	109.3	176.7	-66.6	157.5	-168.9	0	0	109.7
314	D	34.3	Very low	44.4	Very low	108 Å²	108	107 Å²	107	58%	0.578	61%	0.612	S	S	*	*			trans	-128.9	81.4	166.1	-71.6	-72.1	0	0	0	107.9	T312 D316 R623	T312-D314 PolarHBondContact O-N 3.17Å; D314-D316 PolarHBondContact O-N 2.85Å; D314-R623 IonicContact OD2-CZ 3.28Å; D314-R623 IonicContact OD2-NH1 3.55Å; D314-R623 PolarHBondContact OD2-NH1 3.44Å; D314-R623 IonicContact OD2-NH2 2.67Å; D314-R623 PolarHBondContact OD2-NH2 3.1Å
315	D	36.6	Very low	44.7	Very low	175 Å²	175	103.4 Å²	103.4	94%	0.936	60%	0.597	S	S	*	*			trans	-70.3	88.5	175.3	-101.4	-28.4	0	0	0	110.7
316	D	38.2	Very low	45.8	Very low	98 Å²	98	102.7 Å²	102.7	52%	0.524	59%	0.59	S	S	.	*			trans	-151.9	14.6	166.7	-136.5	4.7	0	0	0	112.8	D314 E318 K630	D314-D316 PolarHBondContact O-N 2.85Å; D316-E318 PolarHBondContact O-N 3.06Å; D316-E318 VanDerWaalsContact O-N 3.14Å; D316-K630 IonicContact OD2-NZ 2.62Å; D316-K630 PolarHBondContact OD2-NZ 3.26Å
317	M	39.8	Very low	47.3	Very low	183 Å²	183	103.1 Å²	103.1	90%	0.901	59%	0.588	S	S	*	*			trans	-81.6	93.2	179.1	-171.4	156.9	62.3	0	0	110.2
318	E	48.5	Very low	49.2	Very low	70 Å²	70	99.9 Å²	99.9	33%	0.327	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-56.7	155.3	-178.7	-66.6	-155.6	94.7	0	0	113.7	D316 A320 K590	D316-E318 PolarHBondContact O-N 3.06Å; D316-E318 VanDerWaalsContact O-N 3.14Å; E318-A320 PolarHBondContact O-N 2.61Å; E318-A320 VanDerWaalsContact O-N 3.09Å; E318-K590 WeakPolarHBondContact OE1-CE 3.46Å; E318-K590 IonicContact OE1-NZ 3.52Å; E318-K590 PolarHBondContact OE1-NZ 3.36Å
319	V	43.9	Very low	51.5	Low	140 Å²	140	100.4 Å²	100.4	85%	0.848	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-47.7	116.8	177.2	179.7	0	0	0	0	110
320	A	50.2	Low	53.8	Low	60 Å²	60	95.7 Å²	95.7	50%	0.496	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-59.6	129.7	-176.1	0	0	0	0	0	110.5	E318	E318-A320 PolarHBondContact O-N 2.61Å; E318-A320 VanDerWaalsContact O-N 3.09Å
321	P	53.5	Low	56	Low	24 Å²	24	94.8 Å²	94.8	16%	0.156	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-62.5	151.7	-176	23.2	-32.6	0	0	0	111.4	L325 L568	P321-L325 HydrophobicContact CB-CB 4.4Å; P321-L568 HydrophobicContact CG-CD2 3.52Å
322	P	56.3	Low	57.3	Low	81 Å²	81	94.9 Å²	94.9	53%	0.526	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-55.2	146.3	-179.8	23.8	-34.5	0	0	0	110.7	S324 L325	P322-S324 PolarHBondContact O-N 3.23Å; P322-L325 HydrophobicContact CG-CD1 4Å; P322-L325 HydrophobicContact CG-CG 4.26Å; P322-L325 PolarHBondContact O-N 2.93Å
323	A	60.1	Low	57.9	Low	83 Å²	83	99.1 Å²	99.1	69%	0.686	53%	0.529	S	S	*	.	H	α-helix	trans	-55.5	-31	-168.3	0	0	0	0	0	114.1	L325 R326	A323-L325 VanDerWaalsContact C-N 3.26Å; A323-L325 PolarHBondContact O-N 3.26Å; A323-R326 PolarHBondContact O-N 2.79Å; A323-R326 VanDerWaalsContact O-N 3.14Å
324	S	57	Low	58.2	Low	88 Å²	88	99.8 Å²	99.8	62%	0.615	53%	0.531	S	S	*	.	H	α-helix	trans	-60.6	-27.2	174.4	47.5	0	0	0	0	114.6	P322	P322-S324 PolarHBondContact O-N 3.23Å
325	L	68.4	Low	58.1	Low	44 Å²	44	102.1 Å²	102.1	23%	0.23	54%	0.544	C	S	.	.	H	α-helix	trans	-91.4	-6.4	176.5	-66.4	179.6	0	0	0	113.2	P321 P322 A323 I328 L528 Y555	P321-L325 HydrophobicContact CB-CB 4.4Å; P322-L325 HydrophobicContact CG-CD1 4Å; P322-L325 HydrophobicContact CG-CG 4.26Å; P322-L325 PolarHBondContact O-N 2.93Å; A323-L325 VanDerWaalsContact C-N 3.26Å; A323-L325 PolarHBondContact O-N 3.26Å; L325-I328 HydrophobicContact CD2-CD1 4.14Å; L325-L528 HydrophobicContact CD2-CD2 4.42Å; L325-Y555 VanDerWaalsContact O-CE1 3.29Å; L325-Y555 WeakPolarHBondContact O-CE1 3.39Å; L325-Y555 PolarHBondContact O-OH 2.75Å
326	R	78.5	Confident	58.1	Low	124 Å²	124	106 Å²	106	47%	0.468	55%	0.545	S	S	.	.	H	α-helix	trans	-76.5	-32.8	176.4	-64	-171.3	-177.3	-158.2	3.6	113	A323 L568	A323-R326 PolarHBondContact O-N 2.79Å; A323-R326 VanDerWaalsContact O-N 3.14Å; R326-L568 PolarHBondContact O-N 2.88Å
327	R	84.3	Confident	58	Low	89 Å²	89	105.2 Å²	105.2	34%	0.336	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.8	113.2	176	-170.6	-172.8	-160.9	86.2	21.2	109.5	T565 M566 E567	R327-T565 PolarHBondContact NH2-OG1 3.31Å; R327-M566 CarbonylContact C-O 3.49Å; R327-M566 WeakPolarHBondContact CA-O 3.38Å; R327-E567 IonicContact CZ-OE1 2.71Å; R327-E567 IonicContact NH1-OE1 3.14Å; R327-E567 PolarHBondContact NH1-OE1 3.21Å; R327-E567 IonicContact NH2-OE1 2.88Å; R327-E567 PolarHBondContact NH2-OE1 2.8Å
328	I	86.4	Confident	57.8	Low	14 Å²	14	105.9 Å²	105.9	7%	0.072	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	112.8	-178.5	-53.2	170.7	0	0	0	107.9	L325 F523 P527 L528 Y555 T565 M566	L325-I328 HydrophobicContact CD2-CD1 4.14Å; I328-F523 HydrophobicContact CG2-CE1 4.46Å; I328-F523 HydrophobicContact CG2-CZ 4.07Å; I328-P527 HydrophobicContact CD1-CG 3.93Å; I328-P527 HydrophobicContact CG2-CG 4.15Å; I328-L528 HydrophobicContact CD1-CD1 3.95Å; I328-L528 HydrophobicContact CD1-CD2 3.68Å; I328-L528 HydrophobicContact CD1-CG 3.74Å; I328-Y555 HydrophobicContact CD1-CE1 4.09Å; I328-T565 CarbonylContact O-C 3.54Å; I328-T565 WeakPolarHBondContact O-CA 3.5Å; I328-M566 HydrophobicContact CB-CB 4.33Å; I328-M566 PolarHBondContact N-O 3.31Å; I328-M566 PolarHBondContact O-N 3.03Å
329	Q	85.3	Confident	57.2	Low	113 Å²	113	109.2 Å²	109.2	53%	0.528	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.2	143	173	-60.6	-169.6	-41.4	0	0	109.8	T565	Q329-T565 HydrophobicContact CB-CG2 4.45Å; Q329-T565 HydrophobicContact CG-CG2 3.89Å
330	S	84.7	Confident	57.1	Low	25 Å²	25	106.3 Å²	106.3	18%	0.175	55%	0.545	C	S	.	.			trans	-66.4	136.8	174.1	-171	0	0	0	0	111.2	N332 H524 A564	S330-N332 VanDerWaalsContact C-N 3.27Å; S330-N332 PolarHBondContact O-N 2.87Å; S330-H524 WeakPolarHBondContact CA-O 3.46Å; S330-H524 WeakPolarHBondContact OG-CA 3.48Å; S330-H524 WeakPolarHBondContact OG-CB 3.19Å; S330-H524 PolarHBondContact OG-N 3.22Å; S330-H524 PolarHBondContact OG-O 2.62Å; S330-A564 WeakPolarHBondContact CB-O 3.48Å; S330-A564 PolarHBondContact N-O 2.86Å
331	I	78.5	Confident	56.3	Low	102 Å²	102	110.3 Å²	110.3	52%	0.523	56%	0.558	S	S	.	*	S	Bend	trans	-66.5	-23.9	-163.9	-62.6	-176	0	0	0	113.7	H524 L843	I331-H524 PolarHBondContact N-O 2.99Å; I331-L843 HydrophobicContact CD1-CD1 3.88Å
332	N	56.6	Low	55.8	Low	110 Å²	110	111.8 Å²	111.8	59%	0.588	57%	0.57	S	S	*	*			trans	-110.9	110.4	178.8	-94	-57.6	0	0	0	112.6	S330 H524	S330-N332 VanDerWaalsContact C-N 3.27Å; S330-N332 PolarHBondContact O-N 2.87Å; N332-H524 PolarHBondContact ND2-CD2 3.26Å; N332-H524 VanDerWaalsContact ND2-CD2 3.3Å; N332-H524 PolarHBondContact ND2-NE2 3.2Å
333	K	43.4	Very low	54.9	Low	166 Å²	166	111.4 Å²	111.4	72%	0.722	56%	0.563	S	S	*	*			trans	-64.5	152.3	146.9	-71.9	-173.9	173.5	-175.5	0	108.7	N335	K333-N335 PolarHBondContact O-N 2.94Å; K333-N335 VanDerWaalsContact O-N 3.1Å
334	H	38.5	Very low	54	Low	198 Å²	198	110.1 Å²	110.1	92%	0.917	54%	0.544	S	S	*	.			trans	-58	117.5	169.2	-89.1	38.2	0	0	0	110.2
335	N	30.5	Very low	53.3	Low	158 Å²	158	110.1 Å²	110.1	85%	0.845	54%	0.544	S	S	*	.			trans	-137.7	142.9	158.6	-118.2	-20.6	0	0	0	109.5	K333 A337	K333-N335 PolarHBondContact O-N 2.94Å; K333-N335 VanDerWaalsContact O-N 3.1Å; N335-A337 PolarHBondContact O-N 3.41Å
336	R	38.4	Very low	52.2	Low	256 Å²	256	112.1 Å²	112.1	97%	0.966	55%	0.551	S	S	*	*	S	Bend	trans	-98.8	53.5	-156.3	-162	-176.6	-175.8	-177.1	1.8	112.7
337	A	35.4	Very low	50	Low	81 Å²	81	110.4 Å²	110.4	67%	0.669	55%	0.548	S	S	*	.	S	Bend	trans	-146.6	159	175.8	0	0	0	0	0	110.8	N335	N335-A337 PolarHBondContact O-N 3.41Å
338	E	34.9	Very low	47.5	Very low	197 Å²	197	113 Å²	113	92%	0.921	56%	0.564	S	S	*	*			trans	55.6	69.5	170	-62.1	-178	-162	0	0	116.1
339	R	35.7	Very low	45.3	Very low	141 Å²	141	118.8 Å²	118.8	53%	0.532	59%	0.594	S	S	.	*			trans	-99.9	142.2	156.9	-74.6	-179.6	170.8	-172	-8.5	110.1	E347	R339-E347 IonicContact CZ-OE1 3.18Å; R339-E347 IonicContact CZ-OE2 2.64Å; R339-E347 VanDerWaalsContact CZ-OE2 3.24Å; R339-E347 IonicContact NH1-OE1 3.96Å; R339-E347 IonicContact NH1-OE2 3.12Å; R339-E347 PolarHBondContact NH1-OE2 2.89Å; R339-E347 IonicContact NH2-OE1 3.54Å; R339-E347 PolarHBondContact NH2-OE1 3.28Å; R339-E347 IonicContact NH2-OE2 2.77Å; R339-E347 PolarHBondContact NH2-OE2 2.69Å
340	T	42.3	Very low	43	Very low	79 Å²	79	118.2 Å²	118.2	49%	0.485	59%	0.587	S	S	.	*			trans	-84.6	154.9	168.1	69.8	0	0	0	0	110.3	S342 D343	T340-S342 PolarHBondContact O-N 3.25Å; T340-S342 PolarHBondContact OG1-OG 3.34Å; T340-D343 PolarHBondContact N-OD2 3.47Å; T340-D343 PolarHBondContact O-N 2.79Å; T340-D343 PolarHBondContact OG1-OD2 2.75Å
341	N	33.7	Very low	40.3	Very low	143 Å²	143	121.2 Å²	121.2	77%	0.765	61%	0.605	S	S	*	*	H	α-helix	trans	-58	-26.1	-178.6	-70.1	-17.4	0	0	0	113.2	D343 I344	N341-D343 VanDerWaalsContact C-N 3.31Å; N341-D343 PolarHBondContact O-N 3.41Å; N341-I344 PolarHBondContact O-N 2.81Å
342	S	42	Very low	38	Very low	56 Å²	56	125 Å²	125	39%	0.392	62%	0.62	S	S	.	*	H	α-helix	trans	-66.5	-23.8	173.4	25.4	0	0	0	0	114.8	T340	T340-S342 PolarHBondContact O-N 3.25Å; T340-S342 PolarHBondContact OG1-OG 3.34Å
343	D	37.6	Very low	36.6	Very low	73 Å²	73	131 Å²	131	39%	0.39	64%	0.635	S	S	.	*	H	α-helix	trans	-86.1	-22.4	178.1	-55.1	-57.8	0	0	0	112	T340 N341	T340-D343 PolarHBondContact N-OD2 3.47Å; T340-D343 PolarHBondContact O-N 2.79Å; T340-D343 PolarHBondContact OG1-OD2 2.75Å; N341-D343 VanDerWaalsContact C-N 3.31Å; N341-D343 PolarHBondContact O-N 3.41Å
344	I	41.8	Very low	35.8	Very low	56 Å²	56	128.2 Å²	128.2	29%	0.287	63%	0.634	S	S	.	*	H	α-helix	trans	-71.5	-38.9	-178.1	-55.7	178.5	0	0	0	110.5	N341 F346 E347 Q348	N341-I344 PolarHBondContact O-N 2.81Å; I344-F346 PolarHBondContact O-N 3.4Å; I344-F346 VanDerWaalsContact O-N 3.11Å; I344-E347 PolarHBondContact O-N 3.34Å; I344-Q348 HydrophobicContact CG2-CG 4.16Å; I344-Q348 WeakPolarHBondContact O-CB 3.49Å; I344-Q348 PolarHBondContact O-N 2.95Å
345	S	42.3	Very low	35.5	Very low	87 Å²	87	127 Å²	127	61%	0.608	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	-37.6	178.1	-172.9	0	0	0	0	113.6	E347	S345-E347 PolarHBondContact O-N 2.98Å
346	F	44.6	Very low	35.4	Very low	86 Å²	86	129.6 Å²	129.6	38%	0.377	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-11	-177.7	-92.4	-93.4	0	0	0	115.2	I344 M814	I344-F346 PolarHBondContact O-N 3.4Å; I344-F346 VanDerWaalsContact O-N 3.11Å; F346-M814 HydrophobicContact CE2-CE 4.15Å; F346-M814 HydrophobicContact CE2-CG 4.25Å; F346-M814 HydrophobicContact CE2-SD 4.16Å; F346-M814 HydrophobicContact CZ-CE 4.15Å; F346-M814 HydrophobicContact CZ-CG 4.06Å; F346-M814 HydrophobicContact CZ-SD 4.43Å
347	E	33.7	Very low	34.8	Very low	88 Å²	88	123.8 Å²	123.8	41%	0.411	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.3	-9.3	177.6	-83.4	-175	-166.6	0	0	114.2	R339 I344 S345 I349 T351	R339-E347 IonicContact CZ-OE1 3.18Å; R339-E347 IonicContact CZ-OE2 2.64Å; R339-E347 VanDerWaalsContact CZ-OE2 3.24Å; R339-E347 IonicContact NH1-OE1 3.96Å; R339-E347 IonicContact NH1-OE2 3.12Å; R339-E347 PolarHBondContact NH1-OE2 2.89Å; R339-E347 IonicContact NH2-OE1 3.54Å; R339-E347 PolarHBondContact NH2-OE1 3.28Å; R339-E347 IonicContact NH2-OE2 2.77Å; R339-E347 PolarHBondContact NH2-OE2 2.69Å; I344-E347 PolarHBondContact O-N 3.34Å; S345-E347 PolarHBondContact O-N 2.98Å; E347-I349 VanDerWaalsContact C-N 3.26Å; E347-I349 PolarHBondContact O-N 2.77Å; E347-T351 HydrophobicContact CB-CG2 4.5Å
348	Q	31.7	Very low	34.4	Very low	145 Å²	145	123.3 Å²	123.3	68%	0.678	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	20.9	-156.5	-138.1	175.1	3.7	0	0	117.2	I344	I344-Q348 HydrophobicContact CG2-CG 4.16Å; I344-Q348 WeakPolarHBondContact O-CB 3.49Å; I344-Q348 PolarHBondContact O-N 2.95Å
349	I	39.5	Very low	34.1	Very low	135 Å²	135	119.4 Å²	119.4	69%	0.692	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-33.6	175.3	-46.5	-173.9	0	0	0	113.3	E347	E347-I349 VanDerWaalsContact C-N 3.26Å; E347-I349 PolarHBondContact O-N 2.77Å
350	Y	36.8	Very low	33.9	Very low	100 Å²	100	118.3 Å²	118.3	39%	0.392	64%	0.636	S	S	.	*			trans	-138.9	78.8	-174.5	-61.2	-70.5	0	0	0	114.3	P516	Y350-P516 HydrophobicContact CD2-CG 4.5Å; Y350-P516 HydrophobicContact CE2-CB 4.28Å; Y350-P516 HydrophobicContact CE2-CG 3.66Å
351	T	29.3	Very low	33.3	Very low	89 Å²	89	122.6 Å²	122.6	55%	0.546	66%	0.656	S	S	.	*			trans	-137.9	80.1	172.2	43.4	0	0	0	0	114.1	E347	E347-T351 HydrophobicContact CB-CG2 4.5Å
352	Q	28.6	Very low	33	Very low	181 Å²	181	122.2 Å²	122.2	85%	0.846	66%	0.658	S	S	*	*			trans	-165.9	134.9	146.3	-113.1	154.6	103.5	0	0	112.5
353	R	27.8	Very low	32.3	Very low	236 Å²	236	125.4 Å²	125.4	89%	0.891	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-82.3	135.8	159.5	-78.1	-177.2	173.6	176.9	-2.3	108.3	M355	R353-M355 PolarHBondContact O-N 3.01Å
354	P	27.6	Very low	31.8	Very low	107 Å²	107	129.4 Å²	129.4	70%	0.695	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.3	125.7	170.1	-22.5	33.5	0	0	0	110.9
355	M	31.1	Very low	31	Very low	173 Å²	173	132.8 Å²	132.8	85%	0.852	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.8	157.9	-78.8	-174.9	155.7	0	0	108.5	R353 T357	R353-M355 PolarHBondContact O-N 3.01Å; M355-T357 VanDerWaalsContact C-N 3.33Å; M355-T357 PolarHBondContact O-N 3.07Å
356	K	28.6	Very low	30.4	Very low	213 Å²	213	134.1 Å²	134.1	93%	0.926	73%	0.726	S	S	*	*			trans	-69.9	90.4	170.4	-75	-171.7	175.7	-175.3	0	109.6	G358	K356-G358 PolarHBondContact O-N 2.84Å
357	T	27	Very low	29.5	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	74%	0.742	S	S	*	*			trans	-70.7	107.1	165.1	37.2	0	0	0	0	109.2	M355	M355-T357 VanDerWaalsContact C-N 3.33Å; M355-T357 PolarHBondContact O-N 3.07Å
358	G	26.7	Very low	29.2	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-63.1	138.2	169.4	0	0	0	0	0	110.6	K356	K356-G358 PolarHBondContact O-N 2.84Å
359	S	28.9	Very low	28.9	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-70	140.6	176.4	40.2	0	0	0	0	111.3
360	P	30.4	Very low	28.3	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-82.3	123.5	-179.9	31.7	-32.8	0	0	0	111.2
361	N	28.9	Very low	27.8	Very low	170 Å²	170	133.4 Å²	133.4	91%	0.909	79%	0.791	S	S	*	*			trans	-106	115.8	161.4	-94.7	-17.4	0	0	0	109.5
362	V	27.8	Very low	27.7	Very low	134 Å²	134	133.1 Å²	133.1	81%	0.812	81%	0.805	S	S	*	*			trans	-86.4	127.2	172.2	174.1	0	0	0	0	108.7
363	T	27.4	Very low	27.6	Very low	124 Å²	124	129.6 Å²	129.6	76%	0.761	80%	0.801	S	S	*	*			trans	-163.8	111.4	145.1	-75.7	0	0	0	0	110.8
364	L	27.7	Very low	27.6	Very low	156 Å²	156	125.1 Å²	125.1	82%	0.817	79%	0.793	S	S	*	*			trans	52.3	126.3	149.2	-58	173.7	0	0	0	122.7
365	T	24.1	Very low	27.6	Very low	128 Å²	128	127.4 Å²	127.4	79%	0.785	80%	0.8	S	S	*	*			trans	-51.8	163.9	153.5	29.3	0	0	0	0	113.9
366	P	30.9	Very low	27.5	Very low	114 Å²	114	124.5 Å²	124.5	74%	0.74	80%	0.796	S	S	*	*			cis	-149.1	151.7	43.1	42.5	-21.7	0	0	0	121.3
367	S	24.8	Very low	28.1	Very low	100 Å²	100	119.9 Å²	119.9	70%	0.699	79%	0.788	S	S	*	*			trans	29.5	125.1	145.3	62.4	0	0	0	0	122.3
368	S	28.1	Very low	28.1	Very low	123 Å²	123	119.1 Å²	119.1	86%	0.86	79%	0.788	S	S	*	*				170.1	156.6	106.2	-75.4	0	0	0	0	112.9
369	G	25.7	Very low	28.2	Very low	75 Å²	75	126 Å²	126	77%	0.773	79%	0.792	S	S	*	*			trans	101.2	84.2	147.1	0	0	0	0	0	120.2
370	S	26	Very low	28.3	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	78%	0.78	S	S	*	*			trans	18.9	135	133	-161.4	0	0	0	0	122.5
371	T	27.2	Very low	28.4	Very low	137 Å²	137	127.8 Å²	127.8	84%	0.84	78%	0.78	S	S	*	*			trans	58.3	125.6	143.5	49.1	0	0	0	0	121.6
372	G	25.8	Very low	28.4	Very low	83 Å²	83	127 Å²	127	86%	0.856	78%	0.776	S	S	*	*			trans	174.3	143.1	161.3	0	0	0	0	0	112.2
373	S	27.4	Very low	28.6	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	77%	0.77	S	S	*	*			trans	-123.6	153.4	-172.2	-142.6	0	0	0	0	113.2
374	I	28.5	Very low	29	Very low	141 Å²	141	126.3 Å²	126.3	72%	0.723	77%	0.771	S	S	*	*			trans	81.5	143.9	150.2	-73.3	162	0	0	0	120.2
375	N	26.2	Very low	29.3	Very low	156 Å²	156	123.9 Å²	123.9	83%	0.834	77%	0.767	S	S	*	*			trans	82.3	157.1	166.8	-72.7	-15.5	0	0	0	120.9
376	S	28.4	Very low	29.9	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	77%	0.769	S	S	*	*			trans	-148.6	-169.4	-159.5	61.7	0	0	0	0	111.2
377	P	42.9	Very low	30.4	Very low	116 Å²	116	126.2 Å²	126.2	75%	0.753	77%	0.769	S	S	*	*				-128.7	171	-92.8	39.6	-22.6	0	0	0	115.4
378	S	26.7	Very low	30.9	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	77%	0.772	S	S	*	*			trans	-178.1	172.3	156.8	37.3	0	0	0	0	110.6
379	R	28.2	Very low	31.4	Very low	217 Å²	217	131.3 Å²	131.3	82%	0.819	77%	0.765	S	S	*	*			trans	110.9	148.3	-175.6	-71.1	-171.9	164.2	-114.5	4	114
380	D	30.8	Very low	31.8	Very low	104 Å²	104	134.8 Å²	134.8	56%	0.556	77%	0.766	S	S	*	*			cis	-129.6	-128.6	-20.8	-85.1	-37.7	0	0	0	106.5
381	Q	32.4	Very low	32	Very low	165 Å²	165	135.3 Å²	135.3	77%	0.771	77%	0.765	S	S	*	*			cis	-165.2	173.9	-6.2	-150.3	148.9	82.2	0	0	111
382	D	29.3	Very low	32	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	76%	0.762	S	S	*	*			trans	-81.9	-152	-175.2	-47.9	-90.4	0	0	0	114.6
383	S	32.3	Very low	32.2	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	76%	0.756	S	S	*	*				-162.2	157.7	-80.9	-151	0	0	0	0	110.5
384	D	35.6	Very low	32.3	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	76%	0.758	S	S	*	*			trans	66.7	155.9	151	-66.2	24.1	0	0	0	126.1
385	S	34.6	Very low	32.3	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	75%	0.753	S	S	*	*			trans	93.2	92.6	151.6	63.9	0	0	0	0	124.3
386	D	37	Very low	32.4	Very low	154 Å²	154	138.6 Å²	138.6	82%	0.824	76%	0.756	S	S	*	*				46.2	134.1	110.8	-42.8	-29.3	0	0	0	125.7
387	D	41.1	Very low	32.4	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	76%	0.757	S	S	*	*				131.6	154.9	106.1	-133	-7.9	0	0	0	122.4
388	Y	34.8	Very low	32.2	Very low	196 Å²	196	141.3 Å²	141.3	77%	0.769	76%	0.756	S	S	*	*			trans	85.3	156.4	159.3	-85.7	-71.5	0	0	0	126.6
389	D	38.3	Very low	32.2	Very low	135 Å²	135	142 Å²	142	72%	0.722	76%	0.761	S	S	*	*			trans	-104.7	173.9	-154.7	-54.2	-75	0	0	0	117.9
390	D	33.8	Very low	32.1	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	76%	0.755	S	S	*	*				175.6	178.3	99.8	-145.5	-5.9	0	0	0	116
391	V	30.2	Very low	32.1	Very low	115 Å²	115	137.5 Å²	137.5	70%	0.697	77%	0.768	S	S	*	*			trans	-53.6	169.9	-171	-72.3	0	0	0	0	119.6
392	D	28.3	Very low	32	Very low	147 Å²	147	136.9 Å²	136.9	79%	0.786	77%	0.768	S	S	*	*			cis	-168.4	179.1	43.2	-148.5	-17.3	0	0	0	116.4
393	I	29.3	Very low	32.1	Very low	140 Å²	140	137.3 Å²	137.3	72%	0.718	77%	0.767	S	S	*	*			trans	-142	138.4	-172.2	-58.5	173.8	0	0	0	115.6
394	P	30.5	Very low	32.1	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	77%	0.771	S	S	*	*			trans	-127.1	114.7	146.2	34.1	-20.6	0	0	0	112.1
395	T	28.1	Very low	31.8	Very low	100 Å²	100	140.5 Å²	140.5	61%	0.613	78%	0.777	S	S	*	*				73.9	117.2	68.5	-60.6	0	0	0	0	115.3
396	M	26.8	Very low	31.6	Very low	183 Å²	183	142.8 Å²	142.8	90%	0.901	78%	0.781	S	S	*	*			trans	-140.9	147.4	160	-87.1	-69.5	107.1	0	0	109.6
397	Q	28.4	Very low	31.3	Very low	172 Å²	172	144.5 Å²	144.5	80%	0.804	78%	0.784	S	S	*	*			trans	-125.9	-155.9	-179.7	-58.1	-169.4	-34.4	0	0	111.4
398	P	39.7	Very low	31.1	Very low	112 Å²	112	143.6 Å²	143.6	73%	0.727	78%	0.783	S	S	*	*				-128.2	168.3	-112.7	38	-17.9	0	0	0	116.1
399	S	26.9	Very low	31.3	Very low	132 Å²	132	139.9 Å²	139.9	92%	0.923	78%	0.783	S	S	*	*			trans	-163.8	149.2	159.7	-78.7	0	0	0	0	110.7
400	G	25.6	Very low	31.3	Very low	67 Å²	67	139.2 Å²	139.2	69%	0.691	79%	0.786	S	S	*	*			cis	160.7	14.7	-5.6	0	0	0	0	0	118.5
401	L	30.5	Very low	31.5	Very low	159 Å²	159	138.2 Å²	138.2	83%	0.832	79%	0.788	S	S	*	*			trans	-136.5	120.1	180	-65.1	173.4	0	0	0	109
402	I	30.5	Very low	31.9	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	80%	0.797	S	S	*	*				74.6	123.5	76.8	-66.3	175.6	0	0	0	112.8
403	M	31.3	Very low	32.5	Very low	162 Å²	162	139.1 Å²	139.1	80%	0.798	79%	0.794	S	S	*	*			trans	-93.6	160.9	178.6	-58.6	-102	60.3	0	0	111.5
404	P	32	Very low	32.8	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	80%	0.799	S	S	*	*			trans	-122.3	164.8	132.8	36.6	-30.7	0	0	0	112.2
405	E	30.9	Very low	32.8	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	80%	0.801	S	S	*	*			trans	-96.3	173.7	177.5	-65.4	179.9	111.9	0	0	112.6
406	D	30.1	Very low	33.1	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	81%	0.812	S	S	*	*			trans	74.5	96.7	158.5	-151.3	18.1	0	0	0	119.2
407	E	29.6	Very low	33.3	Very low	191 Å²	191	144.5 Å²	144.5	89%	0.893	81%	0.812	S	S	*	*			trans	-152.3	149.5	135.5	-136.9	-179.9	-139.2	0	0	111.5
408	T	38	Very low	33.4	Very low	116 Å²	116	140.7 Å²	140.7	71%	0.712	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-91.9	149.7	-166.8	55	0	0	0	0	115
409	P	37.8	Very low	32.8	Very low	118 Å²	118	146.7 Å²	146.7	77%	0.766	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-74.1	148.2	178.9	30.9	-36	0	0	0	114
410	P	39.8	Very low	32.9	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.1	157.3	-178	30.2	-35.7	0	0	0	114.4
411	P	37.7	Very low	33	Very low	127 Å²	127	148.1 Å²	148.1	83%	0.825	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.5	158.7	-167.7	33.8	-37.4	0	0	0	115.9
412	L	37.5	Very low	33	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-82.8	147.2	176.2	-69.9	165.9	0	0	0	113.2
413	P	41.7	Very low	32.9	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.3	154.2	174.8	29.7	-34.7	0	0	0	113.4
414	P	35.2	Very low	32.8	Very low	125 Å²	125	145.1 Å²	145.1	81%	0.812	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.8	152.6	-165.8	32.6	-36.9	0	0	0	115.6
415	K	31.2	Very low	32.5	Very low	196 Å²	196	144.3 Å²	144.3	85%	0.852	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.1	131	172.3	-66.2	177.2	179.2	175.5	0	111.9
416	P	33.9	Very low	32.3	Very low	131 Å²	131	144 Å²	144	85%	0.851	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63	140	162.1	-20.2	33.1	0	0	0	111.5
417	K	30	Very low	32.4	Very low	208 Å²	208	141 Å²	141	90%	0.904	79%	0.793	S	S	*	*			trans	-108.2	156.6	171.3	-76.7	-175.5	177.3	178.3	0	110.8
418	A	30.7	Very low	32.2	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	78%	0.784	S	S	*	*			trans	-86.8	157.6	-171.2	0	0	0	0	0	115
419	R	27.6	Very low	31.9	Very low	238 Å²	238	140 Å²	140	90%	0.898	79%	0.791	S	S	*	*			trans	-132.4	118.1	149	-76.1	179.7	169.3	176.2	-5	105.5
420	T	29.3	Very low	31.5	Very low	109 Å²	109	141.6 Å²	141.6	67%	0.669	79%	0.794	S	S	*	*				77.3	104.5	55.9	66.2	0	0	0	0	114.5
421	S	28.2	Very low	31	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	80%	0.795	S	S	*	*			trans	62.4	156.3	148.4	59.6	0	0	0	0	118.7
422	S	30.4	Very low	30.6	Very low	81 Å²	81	146.6 Å²	146.6	57%	0.566	79%	0.792	S	S	*	*			cis	-147.7	-179.1	11.2	58	0	0	0	0	113
423	E	27.1	Very low	30.1	Very low	153 Å²	153	143.3 Å²	143.3	72%	0.715	78%	0.783	S	S	*	*			trans	57	120.2	155.9	-83.2	95.2	-126.3	0	0	119.8
424	E	29.7	Very low	29.5	Very low	175 Å²	175	149 Å²	149	82%	0.818	79%	0.79	S	S	*	*				75.8	139.9	90.4	-94.6	-176.9	-177.1	0	0	114.2
425	S	27	Very low	29.1	Very low	102 Å²	102	151.3 Å²	151.3	71%	0.713	79%	0.787	S	S	*	*			cis	-150.1	178.6	23.2	-107.6	0	0	0	0	114.3
426	M	26.1	Very low	28.9	Very low	187 Å²	187	150.4 Å²	150.4	92%	0.921	79%	0.785	S	S	*	*			trans	-59.2	138.3	178.3	-56.8	-72.9	-172.1	0	0	115.6
427	A	31	Very low	28.6	Very low	90 Å²	90	147.8 Å²	147.8	74%	0.744	78%	0.782	S	S	*	*			trans	-178.1	122	130.5	0	0	0	0	0	108.4
428	S	27.1	Very low	28.5	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	78%	0.776	S	S	*	*			cis	89.4	110.1	34	79.3	0	0	0	0	114.8
429	E	31.2	Very low	28.6	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	78%	0.782	S	S	*	*			trans	71.7	128.3	162.7	-54.7	177.7	155.2	0	0	116
430	D	29.4	Very low	28.6	Very low	152 Å²	152	141 Å²	141	81%	0.813	78%	0.777	S	S	*	*			cis	74	87.9	48.9	-91.5	-32.3	0	0	0	115.5
431	D	28.7	Very low	29.8	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	78%	0.782	S	S	*	*				-159.8	140.2	123.6	-146.4	28.7	0	0	0	108.6
432	R	29.3	Very low	31	Very low	200 Å²	200	141.4 Å²	141.4	76%	0.755	78%	0.778	S	S	*	*			cis	89.8	57.2	17.9	-117.5	-175.7	-167.6	-164.3	7	119
433	S	27.7	Very low	31.1	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	79%	0.785	S	S	*	*				76.9	129.4	126.9	74.5	0	0	0	0	121.9
434	R	29.2	Very low	32.2	Very low	233 Å²	233	140.6 Å²	140.6	88%	0.879	79%	0.792	S	S	*	*			trans	-164.3	136.2	143.8	-90.6	129.9	-159.7	-136.1	7	107
435	K	26.8	Very low	32.3	Very low	174 Å²	174	136.4 Å²	136.4	76%	0.757	79%	0.787	S	S	*	*				63.5	134.5	64.8	-73.5	-174.7	167.8	-166.6	0	112
436	H	27.4	Very low	33.4	Very low	176 Å²	176	137 Å²	137	82%	0.815	79%	0.788	S	S	*	*			cis	-149.2	167.2	14.5	-101.1	-81.9	0	0	0	110.1
437	G	27.2	Very low	33.7	Very low	76 Å²	76	135.4 Å²	135.4	78%	0.784	78%	0.783	S	S	*	*			trans	156.8	85	157.6	0	0	0	0	0	120.1
438	S	28.5	Very low	33.9	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	78%	0.782	S	S	*	*			trans	10.2	154.6	150.6	-120.3	0	0	0	0	125.6
439	L	31.6	Very low	34	Very low	166 Å²	166	143.5 Å²	143.5	87%	0.869	79%	0.788	S	S	*	*			trans	84.2	142.6	151.7	-67.2	156.6	0	0	0	120.8
440	C	26.8	Very low	34	Very low	118 Å²	118	140.2 Å²	140.2	80%	0.797	78%	0.781	S	S	*	*			trans	-113	-173.9	174.1	-35.3	0	0	0	0	109.2
441	P	56.2	Low	34.4	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	78%	0.781	S	S	*	*			cis	-123	-141.6	-23	43.2	-25.7	0	0	0	108.4
442	P	53.8	Low	34.6	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	79%	0.785	S	S	*	*			cis	-127	-169.3	-26.2	39.8	-21.9	0	0	0	113.9
443	A	32	Very low	34.7	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	78%	0.78	S	S	*	*			trans	-91.7	-176.9	162.1	0	0	0	0	0	110.8
444	P	49.2	Very low	35	Very low	130 Å²	130	131.8 Å²	131.8	84%	0.844	78%	0.781	S	S	*	*			cis	-149.6	-160.9	48.8	42.2	-18.7	0	0	0	116.4
445	A	32.8	Very low	35.2	Very low	87 Å²	87	129 Å²	129	72%	0.719	78%	0.778	S	S	*	*			trans	-89	-179.5	171.3	0	0	0	0	0	112.5
446	P	50.3	Low	35.2	Very low	115 Å²	115	127.6 Å²	127.6	75%	0.747	78%	0.784	S	S	*	*				-159.7	160.7	70.4	42.9	-20.9	0	0	0	120.9
447	L	32.4	Very low	35.3	Very low	153 Å²	153	129.9 Å²	129.9	80%	0.801	79%	0.785	S	S	*	*			trans	30.6	134.3	136.3	-61.4	176.2	0	0	0	126.9
448	I	33.6	Very low	36.2	Very low	140 Å²	140	131.8 Å²	131.8	72%	0.718	78%	0.784	S	S	*	*				91.8	138	129.6	-74.8	168.6	0	0	0	123.9
449	R	30.5	Very low	36.5	Very low	220 Å²	220	132.5 Å²	132.5	83%	0.83	78%	0.784	S	S	*	*			trans	115.5	99.7	145	-103.8	171.4	-174.3	-179.9	2.3	124.4
450	T	31.6	Very low	36.9	Very low	116 Å²	116	130.5 Å²	130.5	71%	0.712	78%	0.781	S	S	*	*				61.9	122.6	123.6	59.1	0	0	0	0	127.6
451	S	36.9	Very low	37.4	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	78%	0.783	S	S	*	*				87.9	131.4	117.6	69.8	0	0	0	0	126.8
452	S	32.1	Very low	36.7	Very low	128 Å²	128	134.2 Å²	134.2	90%	0.895	79%	0.787	S	S	*	*			trans	-167.1	175.6	157.1	59.2	0	0	0	0	109.2
453	G	31.8	Very low	35.5	Very low	63 Å²	63	140.3 Å²	140.3	65%	0.649	79%	0.794	S	S	*	*			cis	139.1	136.5	-12.1	0	0	0	0	0	113.9
454	T	33.8	Very low	35.5	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	80%	0.797	S	S	*	*			cis	-172.5	140.1	-16	-3.3	0	0	0	0	113.5
455	H	33.3	Very low	34.4	Very low	175 Å²	175	140 Å²	140	81%	0.81	80%	0.796	S	S	*	*			trans	66.1	162.4	164.6	-55.4	-58.2	0	0	0	119.2
456	V	27.9	Very low	34.3	Very low	144 Å²	144	145.6 Å²	145.6	87%	0.873	80%	0.799	S	S	*	*			cis	-143.7	-179.7	31.1	175.7	0	0	0	0	112.2
457	R	29.1	Very low	33.4	Very low	223 Å²	223	147.8 Å²	147.8	84%	0.842	80%	0.799	S	S	*	*			trans	-145.2	159.3	-176.1	69.3	-162.2	-59.9	-140	4.5	113.3
458	P	46.8	Very low	33.2	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	80%	0.797	S	S	*	*				-154.7	-104	95.9	39.6	-16.5	0	0	0	118.6
459	T	33.6	Very low	33	Very low	127 Å²	127	146.6 Å²	146.6	78%	0.779	80%	0.803	S	S	*	*			trans	-158.9	170.5	-160.9	38.2	0	0	0	0	110.4
460	P	41.3	Very low	34.6	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	80%	0.799	S	S	*	*			cis	-150.8	-169.9	40.1	44.3	-20.9	0	0	0	119.8
461	H	36.4	Very low	35.3	Very low	183 Å²	183	141.4 Å²	141.4	85%	0.847	80%	0.8	S	S	*	*			trans	-85.3	165	176.6	-64.6	-69.3	0	0	0	114.7
462	P	41.1	Very low	35	Very low	131 Å²	131	140.4 Å²	140.4	85%	0.851	79%	0.793	S	S	*	*				-148.2	-162	100.3	40.9	-23.1	0	0	0	116.6
463	R	30.2	Very low	34.9	Very low	246 Å²	246	142 Å²	142	93%	0.928	79%	0.79	S	S	*	*			trans	-94.3	-164.9	-170.7	-50.5	169.4	173.3	139.4	-8.1	112.5
464	A	30.2	Very low	35.6	Very low	93 Å²	93	144.1 Å²	144.1	77%	0.769	79%	0.793	S	S	*	*			cis	-166	165.4	7.8	0	0	0	0	0	112.2
465	S	27.5	Very low	35.4	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	80%	0.796	S	S	*	*			trans	161.8	167.8	136.3	-164.6	0	0	0	0	111.9
466	R	30.6	Very low	35.3	Very low	204 Å²	204	144.7 Å²	144.7	77%	0.77	80%	0.796	S	S	*	*				-167	161.8	-83.1	-119.7	-171.6	179.2	-162.4	2.6	111.2
467	H	30.8	Very low	35.4	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.745	79%	0.791	S	S	*	*			trans	73.4	148.3	170.2	-59.2	-66.9	0	0	0	117
468	S	29.1	Very low	35.5	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	79%	0.787	S	S	*	*			cis	-160.8	160.5	-0.2	30.6	0	0	0	0	114.5
469	D	29.2	Very low	34.7	Very low	159 Å²	159	142.2 Å²	142.2	85%	0.85	78%	0.782	S	S	*	*			trans	-139	-177.2	175.4	-88.6	-44.5	0	0	0	108.3
470	P	63.3	Low	34.6	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	78%	0.783	S	S	*	*			cis	-119.2	-131	-24.7	38.3	-18.1	0	0	0	108.2
471	P	47.4	Very low	35.1	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	78%	0.781	S	S	*	*			cis	-111.2	-145.3	-27.5	42.2	-24.5	0	0	0	110.9
472	S	29.6	Very low	34.8	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	78%	0.776	S	S	*	*			cis	-158.2	148.5	1.1	35.2	0	0	0	0	107.7
473	L	29	Very low	34.5	Very low	161 Å²	161	139.7 Å²	139.7	84%	0.843	77%	0.773	S	S	*	*			cis	79.3	142.7	47.9	-71.4	176.2	0	0	0	115.7
474	P	47.5	Very low	34.6	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	77%	0.769	S	S	*	*			cis	-137.9	-173.5	-11	42.6	-25.5	0	0	0	115.1
475	T	29.1	Very low	34.9	Very low	132 Å²	132	136.8 Å²	136.8	81%	0.81	77%	0.774	S	S	*	*				172.5	165	124.4	-65.1	0	0	0	0	111.4
476	Q	30.7	Very low	35.5	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.813	77%	0.77	S	S	*	*			trans	-110.3	170.5	-162.8	-55.2	156	-49.1	0	0	114.4
477	I	31.4	Very low	36.4	Very low	149 Å²	149	133 Å²	133	76%	0.764	77%	0.772	S	S	*	*				171.1	114.3	118.1	-85	160	0	0	0	114.6
478	Q	30	Very low	36.2	Very low	160 Å²	160	134.4 Å²	134.4	75%	0.748	78%	0.779	S	S	*	*			trans	38.9	125.7	137.9	-60.9	-177.1	-14.6	0	0	127
479	N	31.4	Very low	36.3	Very low	124 Å²	124	137.1 Å²	137.1	66%	0.663	78%	0.784	S	S	*	*				81	115.3	117.5	-62.6	-3.3	0	0	0	126.9
480	I	31.3	Very low	37.3	Very low	154 Å²	154	135 Å²	135	79%	0.79	78%	0.779	S	S	*	*				80.6	142.4	122.8	-63.7	171.8	0	0	0	120.9
481	P	50.6	Low	36	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	78%	0.784	S	S	*	*			trans	-120.6	176.4	-174.3	44.5	-33.2	0	0	0	116.4
482	A	31.8	Very low	35.1	Very low	90 Å²	90	140.2 Å²	140.2	74%	0.744	79%	0.792	S	S	*	*			trans	160.7	142.8	133.5	0	0	0	0	0	117.2
483	D	34	Very low	35.3	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	80%	0.797	S	S	*	*			trans	65.3	152.6	138.7	-66.1	-18.5	0	0	0	128.6
484	T	32.1	Very low	35.3	Very low	137 Å²	137	145.2 Å²	145.2	84%	0.84	80%	0.802	S	S	*	*			trans	87.9	127.2	162.2	63.2	0	0	0	0	121.5
485	V	36.1	Very low	34.5	Very low	142 Å²	142	151 Å²	151	86%	0.861	81%	0.81	S	S	*	*			trans	-154	125.4	178.3	176.3	0	0	0	0	112.8
486	P	40.3	Very low	34.5	Very low	118 Å²	118	156.4 Å²	156.4	77%	0.766	82%	0.816	S	S	*	*			trans	-124.9	-178	161.8	37.1	-21.2	0	0	0	113.4
487	P	48.9	Very low	34.3	Very low	125 Å²	125	160 Å²	160	81%	0.812	82%	0.822	S	S	*	*			trans	-129.9	-179.4	-152.3	45.5	-34.3	0	0	0	117.9
488	E	27	Very low	34.2	Very low	190 Å²	190	162.2 Å²	162.2	89%	0.888	83%	0.826	S	S	*	*			trans	-157.7	153.5	153.8	-132	174.9	-150.5	0	0	116.1
489	L	30.9	Very low	34.3	Very low	166 Å²	166	160 Å²	160	87%	0.869	83%	0.826	S	S	*	*			trans	-162	171.8	176.3	-78.7	177.6	0	0	0	108.7
490	P	50.4	Low	34	Very low	115 Å²	115	161.5 Å²	161.5	75%	0.747	83%	0.832	S	S	*	*				-121.7	179.3	-75.8	39.2	-21.9	0	0	0	112.8
491	P	35.5	Very low	33.8	Very low	132 Å²	132	159.8 Å²	159.8	86%	0.857	83%	0.834	S	S	*	*			trans	-131.5	147.1	162.1	31.9	-15	0	0	0	117.9
492	K	28.4	Very low	33	Very low	204 Å²	204	163.2 Å²	163.2	89%	0.887	84%	0.836	S	S	*	*			trans	-66.5	169.9	-169.7	-66	159.5	174.9	170.9	0	118.3
493	D	35	Very low	32.9	Very low	143 Å²	143	166.2 Å²	166.2	77%	0.765	84%	0.84	S	S	*	*			trans	-50.8	156.8	168.1	-51	-104.1	0	0	0	116.2
494	F	29.6	Very low	32.6	Very low	219 Å²	219	166.3 Å²	166.3	96%	0.961	84%	0.84	S	S	*	*			trans	-149.7	156	134.2	-99.7	-68.4	0	0	0	113.2
495	R	30.8	Very low	32.6	Very low	230 Å²	230	165.4 Å²	165.4	87%	0.868	84%	0.836	S	S	*	*			trans	-102	154.9	-163.2	-54	165.4	173.9	165.9	-5.6	114.2
496	R	27.6	Very low	32.2	Very low	245 Å²	245	167.7 Å²	167.7	93%	0.925	84%	0.837	S	S	*	*			trans	-158.8	100.3	148.1	-111.9	165.6	-162.5	-163.9	4.1	117
497	R	26.9	Very low	31.5	Very low	249 Å²	249	167.7 Å²	167.7	94%	0.94	84%	0.839	S	S	*	*			trans	43.9	132.2	143.2	-63.9	-177.9	173.7	169.9	-2.7	123.4
498	K	30	Very low	30.8	Very low	197 Å²	197	167.5 Å²	167.5	86%	0.857	84%	0.838	S	S	*	*			trans	-70.1	164.6	161.8	-65.9	-177	168.2	-176.6	0	112.7
499	P	30.8	Very low	31	Very low	114 Å²	114	163.2 Å²	163.2	74%	0.74	83%	0.829	S	S	*	*				-137.4	131.2	86.6	36.1	-21.4	0	0	0	114.9
500	I	26.4	Very low	31.2	Very low	154 Å²	154	160.8 Å²	160.8	79%	0.79	82%	0.823	S	S	*	*				71.6	104.8	104.8	-55.8	165.3	0	0	0	116.1
501	S	26.1	Very low	30.6	Very low	119 Å²	119	161.1 Å²	161.1	83%	0.832	82%	0.823	S	S	*	*			trans	-132.3	164.5	131.3	58.2	0	0	0	0	108
502	K	34.6	Very low	30.8	Very low	188 Å²	188	162.6 Å²	162.6	82%	0.817	82%	0.823	S	S	*	*			trans	-93.9	149.8	177.1	-61.6	175	-179.1	176.5	0	109.6
503	D	28.7	Very low	32	Very low	154 Å²	154	161.6 Å²	161.6	82%	0.824	82%	0.818	S	S	*	*				-163.5	179.9	126	-94.4	-30	0	0	0	110.4
504	L	28.2	Very low	33	Very low	152 Å²	152	160.1 Å²	160.1	80%	0.796	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.3	155.4	-158	-77.9	74.2	0	0	0	114.5
505	P	31.6	Very low	34.4	Very low	117 Å²	117	152.2 Å²	152.2	76%	0.76	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.1	127.7	168.8	31	-33.1	0	0	0	110.9	C507	P505-C507 PolarHBondContact O-N 3.47Å
506	E	28.8	Very low	36.4	Very low	190 Å²	190	143.8 Å²	143.8	89%	0.888	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-65.8	127.2	159.6	-70.3	-175.6	121.4	0	0	108.9
507	C	26.1	Very low	38.7	Very low	118 Å²	118	133 Å²	133	80%	0.797	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-65.2	126	172.8	-65.8	0	0	0	0	109.1	P505 S509	P505-C507 PolarHBondContact O-N 3.47Å; C507-S509 PolarHBondContact O-N 3.14Å; C507-S509 VanDerWaalsContact O-N 3.09Å
508	P	34.4	Very low	41.5	Very low	122 Å²	122	125 Å²	125	79%	0.792	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-61.5	118.6	165.6	26.9	-32	0	0	0	107.5
509	S	29.8	Very low	44.1	Very low	99 Å²	99	116.7 Å²	116.7	69%	0.692	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-56.5	135.3	175.3	46.3	0	0	0	0	109.1	C507 V511	C507-S509 PolarHBondContact O-N 3.14Å; C507-S509 VanDerWaalsContact O-N 3.09Å; S509-V511 PolarHBondContact O-N 2.93Å
510	P	34.8	Very low	46.9	Very low	115 Å²	115	115.1 Å²	115.1	75%	0.747	63%	0.628	S	S	*	*			trans	-68	101.2	-175.8	26.8	-33.6	0	0	0	108.9	L512	P510-L512 PolarHBondContact O-N 3.11Å
511	V	38.1	Very low	49.8	Very low	123 Å²	123	112.5 Å²	112.5	75%	0.745	61%	0.611	S	S	*	*			trans	-57.6	108.1	162.7	176.8	0	0	0	0	106.1	S509 K513	S509-V511 PolarHBondContact O-N 2.93Å; V511-K513 PolarHBondContact O-N 2.79Å
512	L	40.2	Very low	52.9	Low	163 Å²	163	108 Å²	108	85%	0.853	58%	0.577	S	S	*	*			trans	-62.9	89.6	167.7	-83.5	91.2	0	0	0	107.6	P510 K514	P510-L512 PolarHBondContact O-N 3.11Å; L512-K514 PolarHBondContact O-N 3.01Å; L512-K514 VanDerWaalsContact O-N 3.15Å
513	K	52.8	Low	55.6	Low	183 Å²	183	99.1 Å²	99.1	80%	0.796	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-56.2	118.8	162	-68.2	-176.3	176.5	-177.1	0	105.8	V511	V511-K513 PolarHBondContact O-N 2.79Å
514	K	56	Low	58.5	Low	111 Å²	111	94.1 Å²	94.1	48%	0.483	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-48.2	135.6	171.3	-86.2	-157.5	176	-161.5	0	107.9	L512 E789 D790	L512-K514 PolarHBondContact O-N 3.01Å; L512-K514 VanDerWaalsContact O-N 3.15Å; K514-E789 PolarHBondContact NZ-O 2.68Å; K514-E789 IonicContact NZ-OE2 2.79Å; K514-E789 PolarHBondContact NZ-OE2 2.69Å; K514-D790 IonicContact NZ-OD2 3.14Å; K514-D790 PolarHBondContact NZ-OD2 2.81Å
515	P	60.3	Low	61.3	Low	53 Å²	53	87.1 Å²	87.1	34%	0.344	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-52.4	138.4	179.9	18.8	-31.7	0	0	0	110.8	V851 A852	P515-V851 HydrophobicContact CB-CG1 3.86Å; P515-V851 HydrophobicContact CG-CG1 3.42Å; P515-V851 VanDerWaalsContact CG-CG1 3.42Å; P515-A852 WeakPolarHBondContact CB-O 3.24Å
516	P	71.8	Confident	64.1	Low	54 Å²	54	81.6 Å²	81.6	35%	0.351	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.9	145.5	-179.2	23.2	-30.5	0	0	0	110.6	Y350 A852	Y350-P516 HydrophobicContact CD2-CG 4.5Å; Y350-P516 HydrophobicContact CE2-CB 4.28Å; Y350-P516 HydrophobicContact CE2-CG 3.66Å; P516-A852 HydrophobicContact CG-CB 3.8Å; P516-A852 WeakPolarHBondContact O-CB 3.37Å; P516-A852 PolarHBondContact O-N 2.63Å
517	V	77.5	Confident	67	Low	19 Å²	19	75.3 Å²	75.3	12%	0.115	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.8	-179.7	-171.2	0	0	0	0	107.8	F788 L849 E850 V851	V517-F788 HydrophobicContact CG1-CD1 4.23Å; V517-F788 HydrophobicContact CG1-CE1 3.82Å; V517-L849 HydrophobicContact CG1-CD1 3.53Å; V517-L849 HydrophobicContact CG1-CD2 4.07Å; V517-L849 HydrophobicContact CG1-CG 3.5Å; V517-E850 WeakPolarHBondContact CA-O 3.49Å; V517-E850 WeakPolarHBondContact CG1-O 3.39Å; V517-V851 HydrophobicContact CG2-CG2 4.44Å
518	Y	83.8	Confident	70.1	Confident	81 Å²	81	69.8 Å²	69.8	32%	0.318	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.4	-169.3	70.9	-71.6	0	0	0	112.6	K520 E850 A852	Y518-K520 HydrophobicContact CD2-CB 4.4Å; Y518-K520 HydrophobicContact CE2-CB 3.87Å; Y518-K520 PolarHBondContact O-N 2.96Å; Y518-E850 HydrophobicContact CD1-CB 4.48Å; Y518-E850 VanDerWaalsContact CD1-O 3.22Å; Y518-E850 WeakPolarHBondContact CD1-O 3.2Å; Y518-E850 HydrophobicContact CE1-CB 3.82Å; Y518-E850 PolarHBondContact N-O 3.07Å; Y518-E850 PolarHBondContact O-N 3.15Å; Y518-E850 PolarHBondContact OH-OE2 2.81Å; Y518-A852 HydrophobicContact CD1-CB 4.22Å; Y518-A852 HydrophobicContact CE1-CB 4.13Å
519	F	85.8	Confident	72.8	Confident	22 Å²	22	68.5 Å²	68.5	10%	0.096	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	99.1	177.4	-77.5	-70	0	0	0	111.4	L793 W800 L832 Y847 L848 L849	F519-L793 HydrophobicContact CZ-CD1 4.33Å; F519-L793 HydrophobicContact CZ-CD2 3.88Å; F519-W800 HydrophobicContact CD2-CH2 4.23Å; F519-W800 AromaticContact CD2-CZ2 3.83Å; F519-W800 HydrophobicContact CD2-CZ2 3.83Å; F519-W800 AromaticContact CE2-CD2 3.9Å; F519-W800 HydrophobicContact CE2-CD2 3.9Å; F519-W800 AromaticContact CE2-CE2 3.72Å; F519-W800 HydrophobicContact CE2-CE3 4.1Å; F519-W800 HydrophobicContact CE2-CH2 4.04Å; F519-W800 AromaticContact CE2-CZ2 3.82Å; F519-W800 HydrophobicContact CE2-CZ2 3.82Å; F519-W800 HydrophobicContact CE2-CZ3 4.17Å; F519-L832 HydrophobicContact CD1-CB 4.02Å; F519-L832 HydrophobicContact CD1-CD2 3.89Å; F519-L832 HydrophobicContact CD2-CD2 4.25Å; F519-L832 HydrophobicContact CE1-CB 3.68Å; F519-L832 HydrophobicContact CE1-CD2 3.66Å; F519-L832 HydrophobicContact CE1-CG 4.29Å; F519-L832 HydrophobicContact CE2-CD2 4.04Å; F519-L832 HydrophobicContact CG-CD2 4.17Å; F519-L832 HydrophobicContact CZ-CB 4.43Å; F519-L832 HydrophobicContact CZ-CD2 3.73Å; F519-Y847 HydrophobicContact CB-CD1 4.27Å; F519-Y847 HydrophobicContact CB-CG 4.44Å; F519-L848 CarbonylContact C-O 3.52Å; F519-L848 WeakPolarHBondContact CA-O 3.49Å; F519-L849 HydrophobicContact CD1-CB 4.35Å; F519-L849 HydrophobicContact CD1-CD1 4.02Å; F519-L849 HydrophobicContact CD2-CD1 4.27Å; F519-L849 HydrophobicContact CE1-CB 4.07Å; F519-L849 HydrophobicContact CE1-CD1 3.74Å; F519-L849 HydrophobicContact CE1-CG 4.45Å; F519-L849 HydrophobicContact CE2-CD1 4.01Å; F519-L849 HydrophobicContact CG-CD1 4.28Å; F519-L849 HydrophobicContact CZ-CD1 3.75Å
520	K	88.6	Confident	75.9	Confident	80 Å²	80	63.9 Å²	63.9	35%	0.348	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.5	176.3	177.7	-176.9	176.7	-176.1	0	110.7	Y518 I522 Y847 L848 E850	Y518-K520 HydrophobicContact CD2-CB 4.4Å; Y518-K520 HydrophobicContact CE2-CB 3.87Å; Y518-K520 PolarHBondContact O-N 2.96Å; K520-I522 PolarHBondContact O-N 3.38Å; K520-Y847 CarbonylContact O-C 3.54Å; K520-Y847 WeakPolarHBondContact O-CA 3.48Å; K520-L848 PolarHBondContact N-O 3.16Å; K520-L848 PolarHBondContact O-N 3.12Å; K520-E850 HydrophobicContact CD-CG 4.27Å; K520-E850 VanDerWaalsContact CD-OE1 3.22Å; K520-E850 WeakPolarHBondContact CD-OE1 3.49Å; K520-E850 WeakPolarHBondContact CD-OE2 3.35Å; K520-E850 WeakPolarHBondContact CE-OE1 3.41Å; K520-E850 IonicContact NZ-OE1 3.66Å; K520-E850 PolarHBondContact NZ-OE1 3.39Å; K520-E850 IonicContact NZ-OE2 2.73Å; K520-E850 PolarHBondContact NZ-OE2 3.36Å
521	K	88.9	Confident	78.7	Confident	99 Å²	99	60.5 Å²	60.5	43%	0.43	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.2	177.3	-161.4	178.6	-168.8	-177.6	0	110.7	H524 N845 Y847	K521-H524 PolarHBondContact NZ-ND1 2.88Å; K521-N845 WeakPolarHBondContact CE-OD1 3.32Å; K521-N845 PolarHBondContact NZ-OD1 3.21Å; K521-N845 VanDerWaalsContact NZ-OD1 3.1Å; K521-Y847 HydrophobicContact CB-CD1 3.65Å; K521-Y847 HydrophobicContact CB-CE1 3.55Å; K521-Y847 HydrophobicContact CD-CE1 3.96Å; K521-Y847 HydrophobicContact CG-CD1 3.97Å; K521-Y847 HydrophobicContact CG-CE1 3.58Å
522	I	90.2	Very high	81.4	Confident	24 Å²	24	54.9 Å²	54.9	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-21.4	178.7	53.3	156.1	0	0	0	113.4	K520 L546 L557 L559 L846 L848	K520-I522 PolarHBondContact O-N 3.38Å; I522-L546 HydrophobicContact CD1-CD2 3.55Å; I522-L557 HydrophobicContact CB-CD2 4.5Å; I522-L557 HydrophobicContact CD1-CD2 4.09Å; I522-L559 HydrophobicContact CD1-CD2 4.28Å; I522-L559 HydrophobicContact CG2-CD2 4.24Å; I522-L846 HydrophobicContact CD1-CB 4.14Å; I522-L846 HydrophobicContact CG1-CB 3.9Å; I522-L846 WeakPolarHBondContact CG1-O 3.18Å; I522-L846 PolarHBondContact N-O 2.86Å; I522-L848 HydrophobicContact CD1-CD1 4.3Å; I522-L848 HydrophobicContact CD1-CD2 3.87Å; I522-L848 HydrophobicContact CD1-CG 3.77Å; I522-L848 HydrophobicContact CG1-CG 4.14Å; I522-L848 HydrophobicContact CG2-CB 4.43Å; I522-L848 HydrophobicContact CG2-CD1 3.82Å; I522-L848 HydrophobicContact CG2-CG 3.76Å
523	F	90.9	Very high	84.1	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145	175.1	-153.3	-89.7	0	0	0	112.3	I328 C526 L557 A564 M566 N845 L846	I328-F523 HydrophobicContact CG2-CE1 4.46Å; I328-F523 HydrophobicContact CG2-CZ 4.07Å; F523-C526 HydrophobicContact CD1-CB 3.78Å; F523-C526 HydrophobicContact CE1-CB 4.05Å; F523-L557 HydrophobicContact CB-CD2 4.49Å; F523-L557 HydrophobicContact CD2-CD1 4.14Å; F523-L557 HydrophobicContact CD2-CD2 4.2Å; F523-L557 HydrophobicContact CE2-CD1 4.47Å; F523-A564 HydrophobicContact CD2-CB 4.15Å; F523-A564 HydrophobicContact CE2-CB 4.49Å; F523-A564 VanDerWaalsContact CE2-O 3.31Å; F523-A564 WeakPolarHBondContact CE2-O 3.35Å; F523-M566 HydrophobicContact CB-CE 4.12Å; F523-M566 HydrophobicContact CD1-CE 3.89Å; F523-M566 HydrophobicContact CD2-CE 3.75Å; F523-M566 HydrophobicContact CD2-CG 4.17Å; F523-M566 HydrophobicContact CE1-CE 4.2Å; F523-M566 HydrophobicContact CE2-CE 4.06Å; F523-M566 HydrophobicContact CE2-CG 3.75Å; F523-M566 HydrophobicContact CE2-SD 4.32Å; F523-M566 HydrophobicContact CG-CE 3.65Å; F523-M566 HydrophobicContact CZ-CE 4.27Å; F523-M566 HydrophobicContact CZ-CG 4.17Å; F523-M566 HydrophobicContact CZ-SD 4.3Å; F523-N845 WeakPolarHBondContact O-CA 3.41Å; F523-L846 HydrophobicContact CB-CB 4.07Å; F523-L846 HydrophobicContact CB-CD1 4.2Å; F523-L846 HydrophobicContact CB-CG 4.25Å; F523-L846 PolarHBondContact N-O 3.35Å; F523-L846 PolarHBondContact O-N 2.95Å
524	H	90.1	Very high	86.1	Confident	49 Å²	49	38.5 Å²	38.5	23%	0.227	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128	174.8	174.1	59.3	0	0	0	110.8	S330 I331 N332 K521 N845	S330-H524 WeakPolarHBondContact CA-O 3.46Å; S330-H524 WeakPolarHBondContact OG-CA 3.48Å; S330-H524 WeakPolarHBondContact OG-CB 3.19Å; S330-H524 PolarHBondContact OG-N 3.22Å; S330-H524 PolarHBondContact OG-O 2.62Å; I331-H524 PolarHBondContact N-O 2.99Å; N332-H524 PolarHBondContact ND2-CD2 3.26Å; N332-H524 VanDerWaalsContact ND2-CD2 3.3Å; N332-H524 PolarHBondContact ND2-NE2 3.2Å; K521-H524 PolarHBondContact NZ-ND1 2.88Å; H524-N845 PolarHBondContact ND1-OD1 3.45Å
525	G	87.4	Confident	87.9	Confident	5 Å²	5	34.4 Å²	34.4	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.2	41.1	177.2	0	0	0	0	0	113.6	P527 S844	G525-P527 WeakPolarHBondContact O-CD 3.33Å; G525-S844 PolarHBondContact N-O 3.43Å; G525-S844 VanDerWaalsContact N-O 3.07Å
526	C	90.5	Very high	89.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.6	171.8	-172.7	0	0	0	0	109.7	F523 M566 L843 S844	F523-C526 HydrophobicContact CD1-CB 3.78Å; F523-C526 HydrophobicContact CE1-CB 4.05Å; C526-M566 HydrophobicContact CB-CE 4.28Å; C526-L843 WeakPolarHBondContact O-CA 3.35Å; C526-S844 PolarHBondContact N-O 3.4Å; C526-S844 PolarHBondContact O-N 3.38Å
527	P	89.7	Confident	90.5	Very high	59 Å²	59	34.1 Å²	34.1	38%	0.383	16%	0.164	S	C	.	.			trans	-89.2	-7.1	175	36.8	-35.5	0	0	0	113.1	I328 G525 L843	I328-P527 HydrophobicContact CD1-CG 3.93Å; I328-P527 HydrophobicContact CG2-CG 4.15Å; G525-P527 WeakPolarHBondContact O-CD 3.33Å; P527-L843 HydrophobicContact CB-CD2 3.9Å
528	L	90.8	Very high	90.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.16	C	C	.	.	S	Bend	trans	-80.1	141.4	-172.4	-57.9	176	0	0	0	112.2	L325 I328 I530 A550 E552 Y555 M566	L325-L528 HydrophobicContact CD2-CD2 4.42Å; I328-L528 HydrophobicContact CD1-CD1 3.95Å; I328-L528 HydrophobicContact CD1-CD2 3.68Å; I328-L528 HydrophobicContact CD1-CG 3.74Å; L528-I530 HydrophobicContact CB-CG1 4.13Å; L528-I530 PolarHBondContact O-N 2.84Å; L528-A550 HydrophobicContact CB-CB 4.13Å; L528-E552 HydrophobicContact CD2-CB 4.14Å; L528-E552 HydrophobicContact CD2-CG 3.97Å; L528-E552 WeakPolarHBondContact CD2-OE2 3.26Å; L528-Y555 HydrophobicContact CD1-CD1 3.87Å; L528-Y555 HydrophobicContact CD1-CD2 3.51Å; L528-Y555 HydrophobicContact CD1-CE1 3.9Å; L528-Y555 HydrophobicContact CD1-CE2 3.56Å; L528-Y555 HydrophobicContact CD1-CG 3.67Å; L528-Y555 HydrophobicContact CD2-CE1 4.26Å; L528-Y555 HydrophobicContact CD2-CE2 3.74Å; L528-Y555 WeakPolarHBondContact CD2-OH 3.39Å; L528-Y555 HydrophobicContact CG-CE2 4.29Å; L528-M566 HydrophobicContact CD1-SD 3.84Å
529	K	91.7	Very high	90.8	Very high	96 Å²	96	32.3 Å²	32.3	42%	0.417	16%	0.162	S	C	.	.			trans	-87.8	83.1	168.9	-173.2	169.4	145.1	-153.2	0	110.6	N531 A550 E551 E552	K529-N531 PolarHBondContact O-N 2.89Å; K529-A550 VanDerWaalsContact O-CA 3.3Å; K529-A550 WeakPolarHBondContact O-CA 3.24Å; K529-A550 WeakPolarHBondContact O-CB 3.39Å; K529-E551 HydrophobicContact CB-CB 4.5Å; K529-E551 HydrophobicContact CB-CG 4.26Å; K529-E551 HydrophobicContact CD-CG 4.3Å; K529-E551 VanDerWaalsContact CD-OE2 3.27Å; K529-E551 WeakPolarHBondContact CD-OE2 3.38Å; K529-E551 VanDerWaalsContact CE-CD 3.48Å; K529-E551 VanDerWaalsContact CE-OE2 3.25Å; K529-E551 WeakPolarHBondContact CE-OE2 3.21Å; K529-E551 HydrophobicContact CG-CG 4.29Å; K529-E551 IonicContact NZ-OE1 2.85Å; K529-E551 PolarHBondContact NZ-OE1 2.89Å; K529-E551 VanDerWaalsContact NZ-OE1 3.09Å; K529-E551 IonicContact NZ-OE2 3.18Å; K529-E551 PolarHBondContact NZ-OE2 3.41Å; K529-E551 PolarHBondContact O-N 3.35Å; K529-E551 VanDerWaalsContact O-N 3.15Å; K529-E552 PolarHBondContact N-OE1 3.01Å
530	I	93.7	Very high	90.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.3	-178.8	-58.4	167.8	0	0	0	110.6	L528 C532 M548 A550 R822 V824 L846	L528-I530 HydrophobicContact CB-CG1 4.13Å; L528-I530 PolarHBondContact O-N 2.84Å; I530-C532 WeakPolarHBondContact CG2-O 3.26Å; I530-M548 HydrophobicContact CD1-CG 4.39Å; I530-M548 HydrophobicContact CD1-SD 3.78Å; I530-M548 HydrophobicContact CG2-CB 4.18Å; I530-M548 HydrophobicContact CG2-CG 4.43Å; I530-A550 HydrophobicContact CG1-CB 4.36Å; I530-R822 PolarHBondContact O-NH1 2.87Å; I530-R822 PolarHBondContact O-NH2 3.08Å; I530-V824 HydrophobicContact CG2-CG1 3.75Å; I530-L846 HydrophobicContact CD1-CD1 3.62Å; I530-L846 HydrophobicContact CD1-CD2 4.02Å; I530-L846 HydrophobicContact CD1-CG 4.43Å
531	N	94.3	Very high	90.4	Very high	43 Å²	43	34.9 Å²	34.9	23%	0.23	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-38.7	177.4	-60.1	-52.8	0	0	0	111.5	K529 G549 C574	K529-N531 PolarHBondContact O-N 2.89Å; N531-G549 PolarHBondContact N-O 2.95Å; N531-C574 PolarHBondContact ND2-O 3.21Å
532	C	94.7	Very high	90.3	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	163.7	-170.9	50.3	0	0	0	0	111.7	I530 M548 G549 S575 W576 V577 K825	I530-C532 WeakPolarHBondContact CG2-O 3.26Å; C532-M548 WeakPolarHBondContact O-CA 3.39Å; C532-G549 PolarHBondContact N-O 3.29Å; C532-G549 PolarHBondContact O-N 2.8Å; C532-S575 VanDerWaalsContact SG-C 3.52Å; C532-S575 PolarHBondContact SG-O 2.76Å; C532-W576 VanDerWaalsContact SG-C 3.55Å; C532-W576 WeakPolarHBondContact SG-CA 3.48Å; C532-W576 PolarHBondContact SG-N 3.02Å; C532-V577 HydrophobicContact CB-CG2 4.14Å; C532-V577 PolarHBondContact SG-N 3.26Å; C532-K825 CarbonylContact C-O 3.54Å; C532-K825 WeakPolarHBondContact CA-O 3.38Å
533	S	95.9	Very high	90.2	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.5	177.3	58.8	0	0	0	0	113.2	I547 K825 S826	S533-I547 CarbonylContact C-O 3.59Å; S533-I547 WeakPolarHBondContact CA-O 3.29Å; S533-I547 WeakPolarHBondContact CB-O 3.47Å; S533-K825 PolarHBondContact N-O 2.98Å; S533-S826 WeakPolarHBondContact O-CA 3.31Å; S533-S826 WeakPolarHBondContact O-CB 3.47Å; S533-S826 PolarHBondContact O-OG 3.19Å
534	T	95.3	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.2	177.3	-173.9	0	0	0	0	109.4	I547 V577 T579 L584 D827	T534-I547 HydrophobicContact CG2-CB 3.87Å; T534-I547 HydrophobicContact CG2-CG2 4.32Å; T534-I547 PolarHBondContact N-O 2.99Å; T534-I547 PolarHBondContact O-N 3Å; T534-V577 HydrophobicContact CG2-CB 4.07Å; T534-V577 HydrophobicContact CG2-CG2 3.75Å; T534-T579 VanDerWaalsContact CG2-OG1 3.28Å; T534-T579 WeakPolarHBondContact CG2-OG1 3.37Å; T534-T579 PolarHBondContact OG1-N 3.43Å; T534-L584 HydrophobicContact CG2-CD1 4.18Å; T534-D827 VanDerWaalsContact CA-OD1 3.27Å; T534-D827 WeakPolarHBondContact CA-OD1 3.25Å; T534-D827 WeakPolarHBondContact CB-OD1 3.28Å; T534-D827 PolarHBondContact OG1-OD1 3.19Å; T534-D827 PolarHBondContact OG1-OD2 3.3Å; T534-D827 VanDerWaalsContact OG1-OD2 3.05Å
535	T	94.3	Very high	90.4	Very high	26 Å²	26	40 Å²	40	16%	0.16	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.6	-179.4	49.2	0	0	0	0	112.8	H545 L546 T579 R828 M829	T535-H545 WeakPolarHBondContact CA-O 3.49Å; T535-L546 HydrophobicContact CG2-CD1 4.11Å; T535-T579 WeakPolarHBondContact O-CB 3.33Å; T535-R828 WeakPolarHBondContact OG1-CB 3.21Å; T535-R828 WeakPolarHBondContact OG1-CD 3.41Å; T535-M829 HydrophobicContact CG2-CB 4.39Å; T535-M829 HydrophobicContact CG2-CG 3.55Å
536	W	94.2	Very high	90.7	Very high	8 Å²	8	39.8 Å²	39.8	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.8	176.2	174.9	55.8	0	0	0	109.7	N538 H545 I547 T579 N582 L599 Y603	W536-N538 HydrophobicContact CH2-CB 4Å; W536-N538 HydrophobicContact CZ2-CB 4.27Å; W536-N538 HydrophobicContact CZ3-CB 4.15Å; W536-H545 HydrophobicContact CE3-CB 4.04Å; W536-H545 PolarHBondContact N-O 3.39Å; W536-H545 PolarHBondContact O-N 2.88Å; W536-I547 HydrophobicContact CB-CD1 4.45Å; W536-I547 HydrophobicContact CB-CG1 4.1Å; W536-T579 HydrophobicContact CB-CG2 4.19Å; W536-N582 PolarHBondContact NE1-OD1 3.02Å; W536-L599 HydrophobicContact CB-CD1 4.13Å; W536-L599 HydrophobicContact CD2-CB 4.2Å; W536-L599 HydrophobicContact CD2-CD1 4.17Å; W536-L599 HydrophobicContact CG-CD1 3.72Å; W536-L599 HydrophobicContact CZ2-CB 4.02Å; W536-Y603 HydrophobicContact CH2-CD1 4.09Å; W536-Y603 AromaticContact CH2-CG 3.95Å; W536-Y603 HydrophobicContact CH2-CG 3.95Å; W536-Y603 HydrophobicContact CZ3-CD1 4.26Å; W536-Y603 HydrophobicContact CZ3-CD2 4.03Å; W536-Y603 AromaticContact CZ3-CG 3.82Å; W536-Y603 HydrophobicContact CZ3-CG 3.82Å
537	E	92.1	Very high	91	Very high	92 Å²	92	39.8 Å²	39.8	43%	0.43	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.5	165.7	-174.4	-164.9	113.7	0	0	108.1	P539 K542	E537-P539 WeakPolarHBondContact O-CD 3.33Å; E537-K542 WeakPolarHBondContact OE1-CD 3.37Å; E537-K542 WeakPolarHBondContact OE1-CE 3.19Å; E537-K542 IonicContact OE1-NZ 2.72Å; E537-K542 PolarHBondContact OE1-NZ 2.79Å
538	N	87.3	Confident	91.3	Very high	9 Å²	9	37 Å²	37	5%	0.048	19%	0.191	C	C	.	.			trans	-68.1	116.1	176.3	-177.5	-29.2	0	0	0	109.2	W536 T540 S541 K542 E543 Y603	W536-N538 HydrophobicContact CH2-CB 4Å; W536-N538 HydrophobicContact CZ2-CB 4.27Å; W536-N538 HydrophobicContact CZ3-CB 4.15Å; N538-T540 PolarHBondContact O-N 2.66Å; N538-T540 WeakPolarHBondContact OD1-CB 3.31Å; N538-T540 PolarHBondContact OD1-N 3.02Å; N538-S541 WeakPolarHBondContact CB-OG 3.3Å; N538-S541 VanDerWaalsContact CG-OG 3.24Å; N538-S541 PolarHBondContact ND2-OG 2.86Å; N538-S541 PolarHBondContact O-N 2.74Å; N538-S541 PolarHBondContact OD1-N 3.34Å; N538-K542 WeakPolarHBondContact O-CA 3.49Å; N538-K542 PolarHBondContact O-N 3.16Å; N538-E543 PolarHBondContact N-O 2.92Å; N538-Y603 WeakPolarHBondContact ND2-CE1 3.26Å
539	P	81.8	Confident	91.6	Very high	53 Å²	53	37 Å²	37	34%	0.344	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.7	-174.1	30.3	-38.5	0	0	0	113.2	E537 N582	E537-P539 WeakPolarHBondContact O-CD 3.33Å; P539-N582 VanDerWaalsContact CD-OD1 3.31Å; P539-N582 WeakPolarHBondContact CD-OD1 3.37Å; P539-N582 WeakPolarHBondContact CG-OD1 3.28Å
540	T	81.5	Confident	91.7	Very high	104 Å²	104	32.4 Å²	32.4	64%	0.638	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-42	-176.2	-43.9	0	0	0	0	112.2	N538	N538-T540 PolarHBondContact O-N 2.66Å; N538-T540 WeakPolarHBondContact OD1-CB 3.31Å; N538-T540 PolarHBondContact OD1-N 3.02Å
541	S	84.1	Confident	91.6	Very high	53 Å²	53	35.3 Å²	35.3	37%	0.371	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-12.1	-178.8	62.2	0	0	0	0	114.7	N538 E543	N538-S541 WeakPolarHBondContact CB-OG 3.3Å; N538-S541 VanDerWaalsContact CG-OG 3.24Å; N538-S541 PolarHBondContact ND2-OG 2.86Å; N538-S541 PolarHBondContact O-N 2.74Å; N538-S541 PolarHBondContact OD1-N 3.34Å; S541-E543 WeakPolarHBondContact CB-OE2 3.39Å; S541-E543 PolarHBondContact O-N 3.24Å; S541-E543 WeakPolarHBondContact OG-CG 3.49Å; S541-E543 PolarHBondContact OG-OE2 3.06Å
542	K	86.3	Confident	91.4	Very high	137 Å²	137	35.9 Å²	35.9	60%	0.596	19%	0.186	S	C	*	.			trans	59.9	20.7	-174.8	-61.5	-62.9	-174.7	169.9	0	114.8	E537 N538	E537-K542 WeakPolarHBondContact OE1-CD 3.37Å; E537-K542 WeakPolarHBondContact OE1-CE 3.19Å; E537-K542 IonicContact OE1-NZ 2.72Å; E537-K542 PolarHBondContact OE1-NZ 2.79Å; N538-K542 WeakPolarHBondContact O-CA 3.49Å; N538-K542 PolarHBondContact O-N 3.16Å
543	E	88.8	Confident	91.3	Very high	50 Å²	50	35.6 Å²	35.6	23%	0.234	18%	0.184	C	C	.	.			trans	-80.6	139.3	170.1	-62.7	169.4	113	0	0	110.5	N538 S541 H545 N558	N538-E543 PolarHBondContact N-O 2.92Å; S541-E543 WeakPolarHBondContact CB-OE2 3.39Å; S541-E543 PolarHBondContact O-N 3.24Å; S541-E543 WeakPolarHBondContact OG-CG 3.49Å; S541-E543 PolarHBondContact OG-OE2 3.06Å; E543-H545 PolarHBondContact O-CD2 3.02Å; E543-N558 PolarHBondContact OE1-ND2 3.2Å
544	Q	91.1	Very high	91.3	Very high	93 Å²	93	35.5 Å²	35.5	44%	0.435	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.7	171.6	-66.1	-175.5	-12.9	0	0	110.4	L559 N560	Q544-L559 WeakPolarHBondContact O-CB 3.49Å; Q544-L559 PolarHBondContact O-N 3.15Å; Q544-N560 WeakPolarHBondContact CB-OD1 3.41Å; Q544-N560 PolarHBondContact N-OD1 3.21Å
545	H	93.2	Very high	91.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.4	-179.6	-73.2	-100.2	0	0	0	110.7	T535 W536 E543 I547 T556 L557 Y603	T535-H545 WeakPolarHBondContact CA-O 3.49Å; W536-H545 HydrophobicContact CE3-CB 4.04Å; W536-H545 PolarHBondContact N-O 3.39Å; W536-H545 PolarHBondContact O-N 2.88Å; E543-H545 PolarHBondContact O-CD2 3.02Å; H545-I547 HydrophobicContact CB-CD1 4.19Å; H545-T556 PolarHBondContact ND1-OG1 3.24Å; H545-L557 CarbonylContact C-O 3.58Å; H545-L557 WeakPolarHBondContact CA-O 3.47Å; H545-Y603 AromaticContact CE1-CE2 3.46Å; H545-Y603 VanDerWaalsContact CE1-CE2 3.46Å; H545-Y603 WeakPolarHBondContact CE1-CE2 3.41Å; H545-Y603 AromaticContact CE1-CZ 3.75Å
546	L	94.9	Very high	91.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.7	162.4	-173.8	69.5	0	0	0	108.4	I522 T535 M548 T556 L557 L559 V831	I522-L546 HydrophobicContact CD1-CD2 3.55Å; T535-L546 HydrophobicContact CG2-CD1 4.11Å; L546-M548 HydrophobicContact CD2-CG 4.17Å; L546-M548 HydrophobicContact CD2-SD 3.91Å; L546-M548 HydrophobicContact CG-CG 4.09Å; L546-M548 HydrophobicContact CG-SD 4.35Å; L546-T556 CarbonylContact O-C 3.48Å; L546-T556 WeakPolarHBondContact O-CA 3.42Å; L546-L557 PolarHBondContact N-O 2.83Å; L546-L557 PolarHBondContact O-N 2.94Å; L546-L559 HydrophobicContact CB-CD1 4.28Å; L546-L559 HydrophobicContact CB-CD2 4.08Å; L546-L559 HydrophobicContact CB-CG 4.28Å; L546-V831 HydrophobicContact CD1-CG2 4.16Å
547	I	96.4	Very high	91.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.4	173.8	-51.2	-56.9	0	0	0	108	S533 T534 W536 H545 I554 Y555 L569 L584 L599	S533-I547 CarbonylContact C-O 3.59Å; S533-I547 WeakPolarHBondContact CA-O 3.29Å; S533-I547 WeakPolarHBondContact CB-O 3.47Å; T534-I547 HydrophobicContact CG2-CB 3.87Å; T534-I547 HydrophobicContact CG2-CG2 4.32Å; T534-I547 PolarHBondContact N-O 2.99Å; T534-I547 PolarHBondContact O-N 3Å; W536-I547 HydrophobicContact CB-CD1 4.45Å; W536-I547 HydrophobicContact CB-CG1 4.1Å; H545-I547 HydrophobicContact CB-CD1 4.19Å; I547-I554 HydrophobicContact CG2-CG2 3.73Å; I547-Y555 CarbonylContact C-O 3.52Å; I547-Y555 WeakPolarHBondContact CA-O 3.46Å; I547-L569 HydrophobicContact CD1-CD1 4.06Å; I547-L584 HydrophobicContact CG2-CD1 4.23Å; I547-L584 HydrophobicContact CG2-CD2 4.32Å; I547-L599 HydrophobicContact CD1-CD2 4.4Å
548	M	95.9	Very high	91.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.6	-174.5	-67.3	162.6	-71.9	0	0	110.5	I530 C532 L546 I554 Y555 L557 M566 L846	I530-M548 HydrophobicContact CD1-CG 4.39Å; I530-M548 HydrophobicContact CD1-SD 3.78Å; I530-M548 HydrophobicContact CG2-CB 4.18Å; I530-M548 HydrophobicContact CG2-CG 4.43Å; C532-M548 WeakPolarHBondContact O-CA 3.39Å; L546-M548 HydrophobicContact CD2-CG 4.17Å; L546-M548 HydrophobicContact CD2-SD 3.91Å; L546-M548 HydrophobicContact CG-CG 4.09Å; L546-M548 HydrophobicContact CG-SD 4.35Å; M548-I554 CarbonylContact O-C 3.55Å; M548-I554 WeakPolarHBondContact O-CA 3.21Å; M548-Y555 PolarHBondContact N-O 2.59Å; M548-Y555 PolarHBondContact O-N 3.34Å; M548-L557 HydrophobicContact CE-CB 3.67Å; M548-M566 HydrophobicContact CE-CE 3.87Å; M548-M566 HydrophobicContact CE-CG 4.07Å; M548-M566 HydrophobicContact CE-SD 4.08Å; M548-M566 HydrophobicContact SD-CE 3.91Å; M548-L846 HydrophobicContact SD-CD1 3.87Å
549	G	95.6	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.7	170.4	0	0	0	0	0	110.3	N531 C532	N531-G549 PolarHBondContact N-O 2.95Å; C532-G549 PolarHBondContact N-O 3.29Å; C532-G549 PolarHBondContact O-N 2.8Å
550	A	94.7	Very high	91.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	174.8	-177.3	0	0	0	0	0	111.8	L528 K529 I530 E552 G553 Y555 C574	L528-A550 HydrophobicContact CB-CB 4.13Å; K529-A550 VanDerWaalsContact O-CA 3.3Å; K529-A550 WeakPolarHBondContact O-CA 3.24Å; K529-A550 WeakPolarHBondContact O-CB 3.39Å; I530-A550 HydrophobicContact CG1-CB 4.36Å; A550-E552 WeakPolarHBondContact CB-OE2 3.32Å; A550-E552 PolarHBondContact O-N 3.4Å; A550-G553 PolarHBondContact N-O 3.05Å; A550-Y555 HydrophobicContact CB-CD2 4.5Å; A550-C574 PolarHBondContact O-N 2.89Å
551	E	91.4	Very high	91.2	Very high	62 Å²	62	31.7 Å²	31.7	29%	0.29	17%	0.166	S	C	.	.	S	Bend	trans	-68.8	-18.2	178.1	-65.5	-158.1	134.4	0	0	113.7	K529 K573	K529-E551 HydrophobicContact CB-CB 4.5Å; K529-E551 HydrophobicContact CB-CG 4.26Å; K529-E551 HydrophobicContact CD-CG 4.3Å; K529-E551 VanDerWaalsContact CD-OE2 3.27Å; K529-E551 WeakPolarHBondContact CD-OE2 3.38Å; K529-E551 VanDerWaalsContact CE-CD 3.48Å; K529-E551 VanDerWaalsContact CE-OE2 3.25Å; K529-E551 WeakPolarHBondContact CE-OE2 3.21Å; K529-E551 HydrophobicContact CG-CG 4.29Å; K529-E551 IonicContact NZ-OE1 2.85Å; K529-E551 PolarHBondContact NZ-OE1 2.89Å; K529-E551 VanDerWaalsContact NZ-OE1 3.09Å; K529-E551 IonicContact NZ-OE2 3.18Å; K529-E551 PolarHBondContact NZ-OE2 3.41Å; K529-E551 PolarHBondContact O-N 3.35Å; K529-E551 VanDerWaalsContact O-N 3.15Å; E551-K573 HydrophobicContact CB-CD 4.46Å; E551-K573 HydrophobicContact CG-CD 4.28Å; E551-K573 VanDerWaalsContact O-CA 3.26Å; E551-K573 WeakPolarHBondContact O-CA 3.16Å; E551-K573 WeakPolarHBondContact O-CB 3.26Å; E551-K573 WeakPolarHBondContact OE1-CE 3.47Å; E551-K573 IonicContact OE1-NZ 2.83Å; E551-K573 PolarHBondContact OE1-NZ 3.27Å
552	E	90.3	Very high	90.5	Very high	55 Å²	55	35.3 Å²	35.3	26%	0.257	19%	0.191	S	C	.	.	S	Bend	trans	-94.6	-23.2	-178.8	-49.7	77.4	-173.2	0	0	113	L528 K529 A550 Y555 G572	L528-E552 HydrophobicContact CD2-CB 4.14Å; L528-E552 HydrophobicContact CD2-CG 3.97Å; L528-E552 WeakPolarHBondContact CD2-OE2 3.26Å; K529-E552 PolarHBondContact N-OE1 3.01Å; A550-E552 WeakPolarHBondContact CB-OE2 3.32Å; A550-E552 PolarHBondContact O-N 3.4Å; E552-Y555 HydrophobicContact CB-CE2 4.31Å; E552-G572 PolarHBondContact O-N 3.03Å
553	G	92.2	Very high	90	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-174.6	-172	0	0	0	0	0	114.3	A550 Y570 G572	A550-G553 PolarHBondContact N-O 3.05Å; G553-Y570 CarbonylContact C-O 3.56Å; G553-Y570 VanDerWaalsContact CA-O 3.28Å; G553-Y570 WeakPolarHBondContact CA-O 3.48Å; G553-G572 WeakPolarHBondContact CA-O 3.48Å
554	I	95.4	Very high	89.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.9	169.5	-51.5	-179.2	0	0	0	108.6	I547 M548 L569 Y570 C574 L584	I547-I554 HydrophobicContact CG2-CG2 3.73Å; M548-I554 CarbonylContact O-C 3.55Å; M548-I554 WeakPolarHBondContact O-CA 3.21Å; I554-L569 PolarHBondContact O-N 2.78Å; I554-Y570 HydrophobicContact CD1-CD1 4.18Å; I554-Y570 PolarHBondContact N-O 3.21Å; I554-Y570 PolarHBondContact O-N 3.28Å; I554-C574 HydrophobicContact CD1-CB 4.44Å; I554-C574 HydrophobicContact CG1-CB 3.8Å; I554-L584 HydrophobicContact CD1-CD2 4.06Å; I554-L584 HydrophobicContact CG2-CD2 3.98Å
555	Y	95	Very high	89.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	156	-175.6	-68.3	-98.9	0	0	0	111.9	L325 I328 L528 I547 M548 A550 E552 M566 E567 L568	L325-Y555 VanDerWaalsContact O-CE1 3.29Å; L325-Y555 WeakPolarHBondContact O-CE1 3.39Å; L325-Y555 PolarHBondContact O-OH 2.75Å; I328-Y555 HydrophobicContact CD1-CE1 4.09Å; L528-Y555 HydrophobicContact CD1-CD1 3.87Å; L528-Y555 HydrophobicContact CD1-CD2 3.51Å; L528-Y555 HydrophobicContact CD1-CE1 3.9Å; L528-Y555 HydrophobicContact CD1-CE2 3.56Å; L528-Y555 HydrophobicContact CD1-CG 3.67Å; L528-Y555 HydrophobicContact CD2-CE1 4.26Å; L528-Y555 HydrophobicContact CD2-CE2 3.74Å; L528-Y555 WeakPolarHBondContact CD2-OH 3.39Å; L528-Y555 HydrophobicContact CG-CE2 4.29Å; I547-Y555 CarbonylContact C-O 3.52Å; I547-Y555 WeakPolarHBondContact CA-O 3.46Å; M548-Y555 PolarHBondContact N-O 2.59Å; M548-Y555 PolarHBondContact O-N 3.34Å; A550-Y555 HydrophobicContact CB-CD2 4.5Å; E552-Y555 HydrophobicContact CB-CE2 4.31Å; Y555-M566 HydrophobicContact CD1-CB 4.3Å; Y555-E567 CarbonylContact C-O 3.58Å; Y555-E567 VanDerWaalsContact CA-O 3.31Å; Y555-E567 WeakPolarHBondContact CA-O 3.41Å; Y555-L568 HydrophobicContact CD1-CB 4.16Å; Y555-L568 HydrophobicContact CD1-CD1 4.32Å; Y555-L568 HydrophobicContact CD2-CD1 4.27Å; Y555-L568 HydrophobicContact CE1-CB 3.88Å; Y555-L568 HydrophobicContact CE1-CD1 3.88Å; Y555-L568 HydrophobicContact CE1-CG 4.49Å; Y555-L568 HydrophobicContact CE2-CD1 3.81Å
556	T	94.6	Very high	89.5	Confident	3 Å²	3	29 Å²	29	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.2	168.7	-174.6	0	0	0	0	111.5	H545 L546 M566 E567 L569 Y603	H545-T556 PolarHBondContact ND1-OG1 3.24Å; L546-T556 CarbonylContact O-C 3.48Å; L546-T556 WeakPolarHBondContact O-CA 3.42Å; T556-M566 CarbonylContact O-C 3.45Å; T556-M566 VanDerWaalsContact O-CA 3.28Å; T556-M566 WeakPolarHBondContact O-CA 3.25Å; T556-E567 HydrophobicContact CG2-CB 4.01Å; T556-E567 PolarHBondContact N-O 3.08Å; T556-E567 PolarHBondContact O-N 3.16Å; T556-L569 HydrophobicContact CG2-CD1 4.18Å; T556-L569 HydrophobicContact CG2-CD2 3.82Å; T556-L569 HydrophobicContact CG2-CG 3.89Å; T556-Y603 HydrophobicContact CG2-CD2 4.24Å; T556-Y603 HydrophobicContact CG2-CE2 4.35Å
557	L	93.1	Very high	89.3	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	169.2	173.9	66	0	0	0	108.5	I522 F523 H545 L546 M548 L559 A564 T565 M566	I522-L557 HydrophobicContact CB-CD2 4.5Å; I522-L557 HydrophobicContact CD1-CD2 4.09Å; F523-L557 HydrophobicContact CB-CD2 4.49Å; F523-L557 HydrophobicContact CD2-CD1 4.14Å; F523-L557 HydrophobicContact CD2-CD2 4.2Å; F523-L557 HydrophobicContact CE2-CD1 4.47Å; H545-L557 CarbonylContact C-O 3.58Å; H545-L557 WeakPolarHBondContact CA-O 3.47Å; L546-L557 PolarHBondContact N-O 2.83Å; L546-L557 PolarHBondContact O-N 2.94Å; M548-L557 HydrophobicContact CE-CB 3.67Å; L557-L559 HydrophobicContact CD2-CD2 4.43Å; L557-A564 HydrophobicContact CD1-CB 4.44Å; L557-T565 WeakPolarHBondContact CD1-O 3.4Å; L557-M566 HydrophobicContact CB-CG 4.33Å; L557-M566 HydrophobicContact CD1-CG 4.47Å
558	N	91.3	Very high	89.1	Confident	33 Å²	33	31 Å²	31	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.5	173.8	-178.5	-10.5	0	0	0	109.5	E543 N560 G561	E543-N558 PolarHBondContact OE1-ND2 3.2Å; N558-N560 PolarHBondContact OD1-N 3.18Å; N558-G561 PolarHBondContact OD1-N 3.05Å
559	L	88.6	Confident	88.9	Confident	42 Å²	42	31.5 Å²	31.5	22%	0.22	18%	0.184	C	C	.	.	S	Bend	trans	-85.8	-16.7	-178.1	-60.1	179	0	0	0	113.2	I522 Q544 L546 L557 L848	I522-L559 HydrophobicContact CD1-CD2 4.28Å; I522-L559 HydrophobicContact CG2-CD2 4.24Å; Q544-L559 WeakPolarHBondContact O-CB 3.49Å; Q544-L559 PolarHBondContact O-N 3.15Å; L546-L559 HydrophobicContact CB-CD1 4.28Å; L546-L559 HydrophobicContact CB-CD2 4.08Å; L546-L559 HydrophobicContact CB-CG 4.28Å; L557-L559 HydrophobicContact CD2-CD2 4.43Å; L559-L848 HydrophobicContact CD1-CD1 3.9Å; L559-L848 HydrophobicContact CD2-CD1 4.07Å
560	N	86.3	Confident	88.7	Confident	100 Å²	100	33.9 Å²	33.9	54%	0.535	19%	0.193	S	C	.	.	S	Bend	trans	-97.8	-10.6	175.2	-58.8	106.8	0	0	0	113	Q544 N558	Q544-N560 WeakPolarHBondContact CB-OD1 3.41Å; Q544-N560 PolarHBondContact N-OD1 3.21Å; N558-N560 PolarHBondContact OD1-N 3.18Å
561	G	75.9	Confident	88.4	Confident	31 Å²	31	36.4 Å²	36.4	32%	0.32	21%	0.209	S	C	.	.	S	Bend	trans	-68.6	148.6	-176.6	0	0	0	0	0	113.7	N558 E563	N558-G561 PolarHBondContact OD1-N 3.05Å; G561-E563 VanDerWaalsContact C-N 3.27Å; G561-E563 PolarHBondContact O-N 2.91Å
562	S	69.9	Low	88.2	Confident	129 Å²	129	34 Å²	34	90%	0.902	20%	0.201	S	C	*	.	S	Bend	trans	-72.8	-16.7	176.4	56.3	0	0	0	0	114.2
563	E	75.4	Confident	88.3	Confident	101 Å²	101	36.6 Å²	36.6	47%	0.472	21%	0.212	S	C	.	.	S	Bend	trans	-122.3	124.8	174.9	-61.4	-163.4	148.3	0	0	110.3	G561 T565	G561-E563 VanDerWaalsContact C-N 3.27Å; G561-E563 PolarHBondContact O-N 2.91Å; E563-T565 VanDerWaalsContact C-N 3.34Å; E563-T565 HydrophobicContact CB-CG2 3.89Å; E563-T565 PolarHBondContact O-N 2.79Å
564	A	84.4	Confident	88.5	Confident	36 Å²	36	36.6 Å²	36.6	30%	0.298	21%	0.212	S	C	.	.			trans	-73.9	86.9	172.1	0	0	0	0	0	109.9	S330 F523 L557	S330-A564 WeakPolarHBondContact CB-O 3.48Å; S330-A564 PolarHBondContact N-O 2.86Å; F523-A564 HydrophobicContact CD2-CB 4.15Å; F523-A564 HydrophobicContact CE2-CB 4.49Å; F523-A564 VanDerWaalsContact CE2-O 3.31Å; F523-A564 WeakPolarHBondContact CE2-O 3.35Å; L557-A564 HydrophobicContact CD1-CB 4.44Å
565	T	87.8	Confident	88.4	Confident	13 Å²	13	38.8 Å²	38.8	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.9	175.9	73	0	0	0	0	110.9	R327 I328 Q329 L557 E563	R327-T565 PolarHBondContact NH2-OG1 3.31Å; I328-T565 CarbonylContact O-C 3.54Å; I328-T565 WeakPolarHBondContact O-CA 3.5Å; Q329-T565 HydrophobicContact CB-CG2 4.45Å; Q329-T565 HydrophobicContact CG-CG2 3.89Å; L557-T565 WeakPolarHBondContact CD1-O 3.4Å; E563-T565 VanDerWaalsContact C-N 3.34Å; E563-T565 HydrophobicContact CB-CG2 3.89Å; E563-T565 PolarHBondContact O-N 2.79Å
566	M	90.6	Very high	88.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.5	167.9	-61.9	177.9	179.3	0	0	109.7	R327 I328 F523 C526 L528 M548 Y555 T556 L557 L846	R327-M566 CarbonylContact C-O 3.49Å; R327-M566 WeakPolarHBondContact CA-O 3.38Å; I328-M566 HydrophobicContact CB-CB 4.33Å; I328-M566 PolarHBondContact N-O 3.31Å; I328-M566 PolarHBondContact O-N 3.03Å; F523-M566 HydrophobicContact CB-CE 4.12Å; F523-M566 HydrophobicContact CD1-CE 3.89Å; F523-M566 HydrophobicContact CD2-CE 3.75Å; F523-M566 HydrophobicContact CD2-CG 4.17Å; F523-M566 HydrophobicContact CE1-CE 4.2Å; F523-M566 HydrophobicContact CE2-CE 4.06Å; F523-M566 HydrophobicContact CE2-CG 3.75Å; F523-M566 HydrophobicContact CE2-SD 4.32Å; F523-M566 HydrophobicContact CG-CE 3.65Å; F523-M566 HydrophobicContact CZ-CE 4.27Å; F523-M566 HydrophobicContact CZ-CG 4.17Å; F523-M566 HydrophobicContact CZ-SD 4.3Å; C526-M566 HydrophobicContact CB-CE 4.28Å; L528-M566 HydrophobicContact CD1-SD 3.84Å; M548-M566 HydrophobicContact CE-CE 3.87Å; M548-M566 HydrophobicContact CE-CG 4.07Å; M548-M566 HydrophobicContact CE-SD 4.08Å; M548-M566 HydrophobicContact SD-CE 3.91Å; Y555-M566 HydrophobicContact CD1-CB 4.3Å; T556-M566 CarbonylContact O-C 3.45Å; T556-M566 VanDerWaalsContact O-CA 3.28Å; T556-M566 WeakPolarHBondContact O-CA 3.25Å; L557-M566 HydrophobicContact CB-CG 4.33Å; L557-M566 HydrophobicContact CD1-CG 4.47Å; M566-L846 HydrophobicContact CE-CD1 3.49Å; M566-L846 VanDerWaalsContact CE-CD1 3.49Å
567	E	90.8	Very high	88.5	Confident	17 Å²	17	40.7 Å²	40.7	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.2	173.5	-61.2	-174.8	-173.1	0	0	109.7	R327 Y555 T556 L569 Q610	R327-E567 IonicContact CZ-OE1 2.71Å; R327-E567 IonicContact NH1-OE1 3.14Å; R327-E567 PolarHBondContact NH1-OE1 3.21Å; R327-E567 IonicContact NH2-OE1 2.88Å; R327-E567 PolarHBondContact NH2-OE1 2.8Å; Y555-E567 CarbonylContact C-O 3.58Å; Y555-E567 VanDerWaalsContact CA-O 3.31Å; Y555-E567 WeakPolarHBondContact CA-O 3.41Å; T556-E567 HydrophobicContact CG2-CB 4.01Å; T556-E567 PolarHBondContact N-O 3.08Å; T556-E567 PolarHBondContact O-N 3.16Å; E567-L569 PolarHBondContact O-N 2.83Å; E567-Q610 VanDerWaalsContact CD-NE2 3.32Å; E567-Q610 PolarHBondContact OE2-NE2 2.93Å
568	L	92.1	Very high	88.6	Confident	24 Å²	24	40.8 Å²	40.8	13%	0.126	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.9	175.2	179.9	72.4	0	0	0	110.2	P321 R326 Y555	P321-L568 HydrophobicContact CG-CD2 3.52Å; R326-L568 PolarHBondContact O-N 2.88Å; Y555-L568 HydrophobicContact CD1-CB 4.16Å; Y555-L568 HydrophobicContact CD1-CD1 4.32Å; Y555-L568 HydrophobicContact CD2-CD1 4.27Å; Y555-L568 HydrophobicContact CE1-CB 3.88Å; Y555-L568 HydrophobicContact CE1-CD1 3.88Å; Y555-L568 HydrophobicContact CE1-CG 4.49Å; Y555-L568 HydrophobicContact CE2-CD1 3.81Å
569	L	91.4	Very high	88.7	Confident	14 Å²	14	39.4 Å²	39.4	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-44.1	175	-69.3	-173.7	0	0	0	112.6	I547 I554 T556 E567 L599 L602 Y603 A606	I547-L569 HydrophobicContact CD1-CD1 4.06Å; I554-L569 PolarHBondContact O-N 2.78Å; T556-L569 HydrophobicContact CG2-CD1 4.18Å; T556-L569 HydrophobicContact CG2-CD2 3.82Å; T556-L569 HydrophobicContact CG2-CG 3.89Å; E567-L569 PolarHBondContact O-N 2.83Å; L569-L599 HydrophobicContact CD1-CD2 4.37Å; L569-L602 HydrophobicContact CB-CD2 3.81Å; L569-L602 HydrophobicContact CB-CG 4.05Å; L569-L602 HydrophobicContact CD1-CD2 4.41Å; L569-L602 VanDerWaalsContact O-CD1 3.31Å; L569-L602 WeakPolarHBondContact O-CD1 3.48Å; L569-Y603 HydrophobicContact CD2-CD2 4.32Å; L569-A606 HydrophobicContact CD2-CB 3.95Å
570	Y	90.6	Very high	88.8	Confident	49 Å²	49	37.9 Å²	37.9	19%	0.192	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	126.6	-176.5	-173	-101.7	0	0	0	110.2	G553 I554 H597 L602 T628	G553-Y570 CarbonylContact C-O 3.56Å; G553-Y570 VanDerWaalsContact CA-O 3.28Å; G553-Y570 WeakPolarHBondContact CA-O 3.48Å; I554-Y570 HydrophobicContact CD1-CD1 4.18Å; I554-Y570 PolarHBondContact N-O 3.21Å; I554-Y570 PolarHBondContact O-N 3.28Å; Y570-H597 AromaticContact CD1-CE1 3.84Å; Y570-H597 AromaticContact CD2-CE1 3.94Å; Y570-H597 AromaticContact CE1-CE1 3.93Å; Y570-H597 AromaticContact CG-CE1 3.84Å; Y570-L602 HydrophobicContact CD2-CD1 4.48Å; Y570-T628 HydrophobicContact CE2-CG2 3.79Å
571	P	89.1	Confident	88.8	Confident	53 Å²	53	37 Å²	37	34%	0.344	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	159.1	-177.6	33.1	-35.8	0	0	0	112.5
572	G	87.7	Confident	89.5	Confident	12 Å²	12	38.5 Å²	38.5	12%	0.124	22%	0.216	C	C	.	.	S	Bend	trans	95.1	148.7	171.7	0	0	0	0	0	113.4	E552 G553 C574	E552-G572 PolarHBondContact O-N 3.03Å; G553-G572 WeakPolarHBondContact CA-O 3.48Å; G572-C574 PolarHBondContact O-N 2.87Å
573	K	92.4	Very high	90.5	Very high	110 Å²	110	33.1 Å²	33.1	48%	0.478	18%	0.178	S	C	.	.			trans	-51.4	126.7	-170.7	173.6	158.9	174.7	164.2	0	112.3	E551 S588 G589	E551-K573 HydrophobicContact CB-CD 4.46Å; E551-K573 HydrophobicContact CG-CD 4.28Å; E551-K573 VanDerWaalsContact O-CA 3.26Å; E551-K573 WeakPolarHBondContact O-CA 3.16Å; E551-K573 WeakPolarHBondContact O-CB 3.26Å; E551-K573 WeakPolarHBondContact OE1-CE 3.47Å; E551-K573 IonicContact OE1-NZ 2.83Å; E551-K573 PolarHBondContact OE1-NZ 3.27Å; K573-S588 CarbonylContact O-C 3.54Å; K573-S588 VanDerWaalsContact O-CA 3.24Å; K573-S588 WeakPolarHBondContact O-CA 3.4Å; K573-G589 PolarHBondContact O-N 2.86Å
574	C	94.9	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.9	176.2	-177.5	0	0	0	0	110.5	N531 A550 I554 G572 W576 V577 V587	N531-C574 PolarHBondContact ND2-O 3.21Å; A550-C574 PolarHBondContact O-N 2.89Å; I554-C574 HydrophobicContact CD1-CB 4.44Å; I554-C574 HydrophobicContact CG1-CB 3.8Å; G572-C574 PolarHBondContact O-N 2.87Å; C574-W576 PolarHBondContact SG-O 2.77Å; C574-W576 VanDerWaalsContact SG-O 3.34Å; C574-V577 VanDerWaalsContact SG-CG1 3.54Å; C574-V587 WeakPolarHBondContact CA-O 3.5Å; C574-V587 PolarHBondContact SG-O 2.77Å; C574-V587 VanDerWaalsContact SG-O 3.4Å
575	S	94.3	Very high	92	Very high	46 Å²	46	26.7 Å²	26.7	32%	0.322	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-30.2	179.6	54.3	0	0	0	0	113.1	C532 V587	C532-S575 VanDerWaalsContact SG-C 3.52Å; C532-S575 PolarHBondContact SG-O 2.76Å; S575-V587 PolarHBondContact N-O 3.28Å; S575-V587 WeakPolarHBondContact OG-CG1 3.45Å
576	W	95.3	Very high	92.3	Very high	34 Å²	34	26 Å²	26	13%	0.129	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	141.3	-174.1	-176.1	92.6	0	0	0	111.5	C532 C574 Y578 M585 S586 V587 L594 C640 V642 L648	C532-W576 VanDerWaalsContact SG-C 3.55Å; C532-W576 WeakPolarHBondContact SG-CA 3.48Å; C532-W576 PolarHBondContact SG-N 3.02Å; C574-W576 PolarHBondContact SG-O 2.77Å; C574-W576 VanDerWaalsContact SG-O 3.34Å; W576-Y578 HydrophobicContact CH2-CD1 4.45Å; W576-Y578 HydrophobicContact CH2-CG 4.14Å; W576-Y578 HydrophobicContact CZ2-CG 4.42Å; W576-M585 HydrophobicContact CH2-CB 4.39Å; W576-M585 HydrophobicContact CZ3-CB 3.83Å; W576-S586 CarbonylContact O-C 3.57Å; W576-S586 VanDerWaalsContact O-CA 3.23Å; W576-S586 WeakPolarHBondContact O-CA 3.37Å; W576-V587 HydrophobicContact CB-CB 4.06Å; W576-V587 HydrophobicContact CB-CG2 4.08Å; W576-V587 HydrophobicContact CE3-CG2 4.2Å; W576-V587 PolarHBondContact O-N 2.9Å; W576-L594 HydrophobicContact CZ3-CD1 4.18Å; W576-C640 HydrophobicContact CD2-CB 3.66Å; W576-C640 HydrophobicContact CE3-CB 3.83Å; W576-C640 HydrophobicContact CG-CB 4.27Å; W576-C640 HydrophobicContact CH2-CB 3.75Å; W576-C640 HydrophobicContact CZ2-CB 3.59Å; W576-C640 HydrophobicContact CZ3-CB 3.86Å; W576-C640 PolarHBondContact NE1-O 3.28Å; W576-V642 HydrophobicContact CH2-CG2 4.08Å; W576-V642 HydrophobicContact CZ2-CG2 3.94Å; W576-L648 HydrophobicContact CH2-CD1 3.81Å; W576-L648 HydrophobicContact CH2-CG 4.07Å; W576-L648 HydrophobicContact CZ3-CD1 4.23Å
577	V	95.4	Very high	92.6	Very high	8 Å²	8	26 Å²	26	5%	0.048	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.6	174.4	-65	0	0	0	0	111.2	C532 T534 C574 L584 M585	C532-V577 HydrophobicContact CB-CG2 4.14Å; C532-V577 PolarHBondContact SG-N 3.26Å; T534-V577 HydrophobicContact CG2-CB 4.07Å; T534-V577 HydrophobicContact CG2-CG2 3.75Å; C574-V577 VanDerWaalsContact SG-CG1 3.54Å; V577-L584 HydrophobicContact CB-CD1 3.97Å; V577-L584 HydrophobicContact CG1-CD1 4.26Å; V577-M585 WeakPolarHBondContact CA-O 3.22Å
578	Y	95.3	Very high	92.6	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	137.1	170.7	169.7	-105	0	0	0	110.3	W576 I580 M585 V642 N645 F668 D827	W576-Y578 HydrophobicContact CH2-CD1 4.45Å; W576-Y578 HydrophobicContact CH2-CG 4.14Å; W576-Y578 HydrophobicContact CZ2-CG 4.42Å; Y578-I580 HydrophobicContact CE1-CB 3.79Å; Y578-I580 HydrophobicContact CE1-CG2 3.98Å; Y578-M585 PolarHBondContact N-O 2.83Å; Y578-M585 PolarHBondContact O-N 3.09Å; Y578-V642 HydrophobicContact CD1-CG2 3.9Å; Y578-V642 HydrophobicContact CD2-CG2 4.13Å; Y578-V642 HydrophobicContact CE1-CG1 4.26Å; Y578-V642 HydrophobicContact CE1-CG2 4.07Å; Y578-V642 HydrophobicContact CE2-CB 4.45Å; Y578-V642 HydrophobicContact CE2-CG1 3.98Å; Y578-V642 HydrophobicContact CE2-CG2 4.29Å; Y578-V642 HydrophobicContact CG-CG2 3.93Å; Y578-N645 PolarHBondContact OH-OD1 2.83Å; Y578-N645 VanDerWaalsContact OH-OD1 3.09Å; Y578-F668 HydrophobicContact CE1-CE2 4.31Å; Y578-F668 HydrophobicContact CE1-CZ 4.13Å; Y578-D827 HydrophobicContact CD2-CB 3.98Å; Y578-D827 VanDerWaalsContact CD2-OD2 3.3Å; Y578-D827 WeakPolarHBondContact CD2-OD2 3.47Å; Y578-D827 HydrophobicContact CE2-CB 4.32Å; Y578-D827 WeakPolarHBondContact CE2-OD2 3.31Å
579	T	93.9	Very high	92.4	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.9	177.2	-66.5	0	0	0	0	111.8	T534 T535 W536 L599 R828	T534-T579 VanDerWaalsContact CG2-OG1 3.28Å; T534-T579 WeakPolarHBondContact CG2-OG1 3.37Å; T534-T579 PolarHBondContact OG1-N 3.43Å; T535-T579 WeakPolarHBondContact O-CB 3.33Å; W536-T579 HydrophobicContact CB-CG2 4.19Å; T579-L599 HydrophobicContact CG2-CD1 3.6Å; T579-R828 PolarHBondContact O-NH2 2.85Å
580	I	91.1	Very high	92.1	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.4	166.5	-177.3	159.7	0	0	0	109.8	Y578 N582 V583 N645 W661 F668	Y578-I580 HydrophobicContact CE1-CB 3.79Å; Y578-I580 HydrophobicContact CE1-CG2 3.98Å; I580-N582 PolarHBondContact O-N 3.03Å; I580-V583 PolarHBondContact N-O 3.28Å; I580-V583 PolarHBondContact O-N 2.98Å; I580-N645 WeakPolarHBondContact CD1-O 3.3Å; I580-W661 HydrophobicContact CD1-CB 4.27Å; I580-W661 HydrophobicContact CD1-CD2 3.73Å; I580-W661 HydrophobicContact CD1-CE3 4.36Å; I580-W661 HydrophobicContact CD1-CG 3.67Å; I580-W661 HydrophobicContact CG1-CD2 4.2Å; I580-W661 HydrophobicContact CG1-CZ2 4.16Å; I580-W661 HydrophobicContact CG2-CD2 4.15Å; I580-W661 HydrophobicContact CG2-CE3 3.71Å; I580-W661 HydrophobicContact CG2-CH2 3.85Å; I580-W661 HydrophobicContact CG2-CZ2 4.27Å; I580-W661 HydrophobicContact CG2-CZ3 3.55Å; I580-F668 HydrophobicContact CG2-CE2 3.71Å; I580-F668 HydrophobicContact CG2-CZ 4.28Å
581	N	87.1	Confident	91.9	Very high	83 Å²	83	31.2 Å²	31.2	44%	0.444	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	-107.8	-175	-59.2	-12.3	0	0	0	111.6	W661 E663	N581-W661 HydrophobicContact CB-CZ2 4.38Å; N581-E663 PolarHBondContact ND2-OE1 3.21Å; N581-E663 PolarHBondContact ND2-OE2 3.5Å
582	N	89.1	Confident	91.9	Very high	62 Å²	62	31.2 Å²	31.2	33%	0.332	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	17.6	175.6	-73.3	-65.2	0	0	0	113.9	W536 P539 I580 L599	W536-N582 PolarHBondContact NE1-OD1 3.02Å; P539-N582 VanDerWaalsContact CD-OD1 3.31Å; P539-N582 WeakPolarHBondContact CD-OD1 3.37Å; P539-N582 WeakPolarHBondContact CG-OD1 3.28Å; I580-N582 PolarHBondContact O-N 3.03Å; N582-L599 WeakPolarHBondContact O-CB 3.11Å; N582-L599 PolarHBondContact O-N 3.01Å
583	V	92.5	Very high	92.2	Very high	16 Å²	16	31.8 Å²	31.8	10%	0.097	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.4	-179.6	179	0	0	0	0	109.9	I580 M585 S596 H597 W661 H666	I580-V583 PolarHBondContact N-O 3.28Å; I580-V583 PolarHBondContact O-N 2.98Å; V583-M585 HydrophobicContact CG1-SD 3.9Å; V583-S596 WeakPolarHBondContact CG1-OG 3.23Å; V583-H597 WeakPolarHBondContact CA-O 3.39Å; V583-W661 HydrophobicContact CB-CH2 4.02Å; V583-W661 HydrophobicContact CB-CZ3 4.17Å; V583-W661 HydrophobicContact CG1-CZ3 4.41Å; V583-W661 HydrophobicContact CG2-CH2 3.88Å; V583-W661 HydrophobicContact CG2-CZ3 4.31Å; V583-H666 HydrophobicContact CG2-CB 4.43Å; V583-H666 WeakPolarHBondContact CG2-O 3.39Å
584	L	94.9	Very high	92.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.9	166.5	171	69.5	0	0	0	108.4	T534 I547 I554 V577 S596 H597 L599	T534-L584 HydrophobicContact CG2-CD1 4.18Å; I547-L584 HydrophobicContact CG2-CD1 4.23Å; I547-L584 HydrophobicContact CG2-CD2 4.32Å; I554-L584 HydrophobicContact CD1-CD2 4.06Å; I554-L584 HydrophobicContact CG2-CD2 3.98Å; V577-L584 HydrophobicContact CB-CD1 3.97Å; V577-L584 HydrophobicContact CG1-CD1 4.26Å; L584-S596 CarbonylContact O-C 3.47Å; L584-S596 WeakPolarHBondContact O-CA 3.43Å; L584-H597 HydrophobicContact CB-CB 4.27Å; L584-H597 PolarHBondContact N-O 3.27Å; L584-H597 PolarHBondContact O-CD2 3.06Å; L584-H597 PolarHBondContact O-N 2.99Å; L584-L599 HydrophobicContact CB-CD1 3.86Å; L584-L599 HydrophobicContact CB-CD2 3.76Å; L584-L599 HydrophobicContact CB-CG 3.59Å; L584-L599 HydrophobicContact CD2-CD2 4.14Å
585	M	95.3	Very high	92.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.1	163.2	-58.9	-55.7	-63.6	0	0	108.3	W576 V577 Y578 V583 L594 H595 S596 I631 L648 F668	W576-M585 HydrophobicContact CH2-CB 4.39Å; W576-M585 HydrophobicContact CZ3-CB 3.83Å; V577-M585 WeakPolarHBondContact CA-O 3.22Å; Y578-M585 PolarHBondContact N-O 2.83Å; Y578-M585 PolarHBondContact O-N 3.09Å; V583-M585 HydrophobicContact CG1-SD 3.9Å; M585-L594 HydrophobicContact CB-CD1 4.39Å; M585-L594 HydrophobicContact CE-CD1 4Å; M585-L594 HydrophobicContact CE-CD2 3.75Å; M585-L594 HydrophobicContact CE-CG 3.79Å; M585-H595 WeakPolarHBondContact CA-O 3.41Å; M585-S596 VanDerWaalsContact SD-CB 3.54Å; M585-S596 PolarHBondContact SD-OG 3.06Å; M585-S596 VanDerWaalsContact SD-OG 3.34Å; M585-I631 HydrophobicContact CE-CD1 4.42Å; M585-I631 HydrophobicContact CE-CG1 4.15Å; M585-L648 HydrophobicContact CB-CD1 4.02Å; M585-L648 HydrophobicContact CE-CD1 4.34Å; M585-L648 HydrophobicContact CG-CD1 3.86Å; M585-F668 HydrophobicContact CE-CB 4.48Å; M585-F668 HydrophobicContact CE-CD2 4.15Å; M585-F668 HydrophobicContact CG-CD2 3.66Å; M585-F668 HydrophobicContact CG-CE2 3.71Å; M585-F668 HydrophobicContact SD-CD2 3.73Å; M585-F668 HydrophobicContact SD-CE2 4.37Å
586	S	95.2	Very high	92.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.3	174.8	83.5	0	0	0	0	112.6	W576 S588 L594 H595 H597	W576-S586 CarbonylContact O-C 3.57Å; W576-S586 VanDerWaalsContact O-CA 3.23Å; W576-S586 WeakPolarHBondContact O-CA 3.37Å; S586-S588 WeakPolarHBondContact OG-CB 3.39Å; S586-S588 PolarHBondContact OG-OG 2.77Å; S586-L594 CarbonylContact O-C 3.43Å; S586-L594 WeakPolarHBondContact O-CA 3.25Å; S586-H595 PolarHBondContact N-O 2.67Å; S586-H595 PolarHBondContact O-N 3.48Å; S586-H597 PolarHBondContact OG-NE2 3.44Å
587	V	95.4	Very high	92	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.1	160	-178.7	0	0	0	0	106.9	C574 S575 W576 Q593 L594 C637	C574-V587 WeakPolarHBondContact CA-O 3.5Å; C574-V587 PolarHBondContact SG-O 2.77Å; C574-V587 VanDerWaalsContact SG-O 3.4Å; S575-V587 PolarHBondContact N-O 3.28Å; S575-V587 WeakPolarHBondContact OG-CG1 3.45Å; W576-V587 HydrophobicContact CB-CB 4.06Å; W576-V587 HydrophobicContact CB-CG2 4.08Å; W576-V587 HydrophobicContact CE3-CG2 4.2Å; W576-V587 PolarHBondContact O-N 2.9Å; V587-Q593 WeakPolarHBondContact CA-O 3.24Å; V587-L594 HydrophobicContact CG2-CD1 4.24Å; V587-C637 HydrophobicContact CG1-CB 4.11Å; V587-C637 HydrophobicContact CG2-CB 4.41Å
588	S	92.3	Very high	91.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	167.6	-168	59.1	0	0	0	0	114.2	K573 S586 Q593 H595	K573-S588 CarbonylContact O-C 3.54Å; K573-S588 VanDerWaalsContact O-CA 3.24Å; K573-S588 WeakPolarHBondContact O-CA 3.4Å; S586-S588 WeakPolarHBondContact OG-CB 3.39Å; S586-S588 PolarHBondContact OG-OG 2.77Å; S588-Q593 PolarHBondContact N-O 3.01Å; S588-Q593 VanDerWaalsContact N-O 3.11Å; S588-Q593 PolarHBondContact O-N 3.16Å; S588-H595 PolarHBondContact O-CE1 3.3Å; S588-H595 VanDerWaalsContact O-CE1 3.26Å; S588-H595 PolarHBondContact OG-ND1 3.14Å
589	G	87.4	Confident	91.5	Very high	15 Å²	15	24.6 Å²	24.6	16%	0.155	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	171.3	177.7	0	0	0	0	0	114.8	K573 S591 S592	K573-G589 PolarHBondContact O-N 2.86Å; G589-S591 PolarHBondContact O-N 3.4Å; G589-S592 PolarHBondContact O-N 2.84Å
590	K	84.8	Confident	91.2	Very high	161 Å²	161	28.8 Å²	28.8	70%	0.7	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-32.5	-178.6	-71.3	-167.5	178.3	75.5	0	114.7	E318	E318-K590 WeakPolarHBondContact OE1-CE 3.46Å; E318-K590 IonicContact OE1-NZ 3.52Å; E318-K590 PolarHBondContact OE1-NZ 3.36Å
591	S	85.8	Confident	91	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.1	-174.2	58.2	0	0	0	0	114.4	G589 Q593 G636	G589-S591 PolarHBondContact O-N 3.4Å; S591-Q593 PolarHBondContact O-N 3.23Å; S591-G636 PolarHBondContact O-N 2.86Å
592	S	90.4	Very high	91	Very high	53 Å²	53	28.5 Å²	28.5	37%	0.371	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	63.7	-171.2	-58.8	0	0	0	0	111.4	G589 G636 C637	G589-S592 PolarHBondContact O-N 2.84Å; S592-G636 PolarHBondContact O-N 3.27Å; S592-C637 WeakPolarHBondContact CB-O 3.39Å; S592-C637 WeakPolarHBondContact O-CA 3.39Å; S592-C637 WeakPolarHBondContact O-CB 3.36Å; S592-C637 PolarHBondContact O-N 3.09Å
593	Q	93.3	Very high	91	Very high	25 Å²	25	26.3 Å²	26.3	12%	0.117	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.3	-175.6	-173.2	168.9	-1.5	0	0	110.7	V587 S588 S591 H595 I631 T634	V587-Q593 WeakPolarHBondContact CA-O 3.24Å; S588-Q593 PolarHBondContact N-O 3.01Å; S588-Q593 VanDerWaalsContact N-O 3.11Å; S588-Q593 PolarHBondContact O-N 3.16Å; S591-Q593 PolarHBondContact O-N 3.23Å; Q593-H595 PolarHBondContact O-N 2.98Å; Q593-H595 PolarHBondContact O-ND1 3.37Å; Q593-I631 PolarHBondContact NE2-O 3.19Å; Q593-T634 WeakPolarHBondContact CG-OG1 3.39Å
594	L	94.7	Very high	90.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.2	171.9	-174	70	0	0	0	109.7	W576 M585 S586 V587 I631 T634 L648 L659	W576-L594 HydrophobicContact CZ3-CD1 4.18Å; M585-L594 HydrophobicContact CB-CD1 4.39Å; M585-L594 HydrophobicContact CE-CD1 4Å; M585-L594 HydrophobicContact CE-CD2 3.75Å; M585-L594 HydrophobicContact CE-CG 3.79Å; S586-L594 CarbonylContact O-C 3.43Å; S586-L594 WeakPolarHBondContact O-CA 3.25Å; V587-L594 HydrophobicContact CG2-CD1 4.24Å; L594-I631 HydrophobicContact CB-CB 4.26Å; L594-I631 HydrophobicContact CB-CG1 4.32Å; L594-I631 HydrophobicContact CD2-CB 4.29Å; L594-I631 HydrophobicContact CD2-CG1 3.94Å; L594-I631 HydrophobicContact CD2-CG2 4.44Å; L594-I631 HydrophobicContact CG-CB 4.4Å; L594-I631 HydrophobicContact CG-CG1 3.96Å; L594-I631 WeakPolarHBondContact O-CB 3.44Å; L594-I631 PolarHBondContact O-N 3.32Å; L594-T634 HydrophobicContact CB-CG2 4.03Å; L594-T634 WeakPolarHBondContact CB-OG1 3.34Å; L594-T634 HydrophobicContact CD2-CG2 4.38Å; L594-T634 PolarHBondContact N-OG1 3.15Å; L594-L648 HydrophobicContact CD2-CD2 4.08Å; L594-L659 HydrophobicContact CD2-CD1 3.6Å
595	H	92.9	Very high	89.8	Confident	3 Å²	3	31 Å²	31	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.4	175.9	-64.9	75.4	0	0	0	109.4	M585 S586 S588 Q593 H597 T628 S629 K630	M585-H595 WeakPolarHBondContact CA-O 3.41Å; S586-H595 PolarHBondContact N-O 2.67Å; S586-H595 PolarHBondContact O-N 3.48Å; S588-H595 PolarHBondContact O-CE1 3.3Å; S588-H595 VanDerWaalsContact O-CE1 3.26Å; S588-H595 PolarHBondContact OG-ND1 3.14Å; Q593-H595 PolarHBondContact O-N 2.98Å; Q593-H595 PolarHBondContact O-ND1 3.37Å; H595-H597 WeakPolarHBondContact CB-NE2 3.43Å; H595-T628 HydrophobicContact CB-CG2 4.1Å; H595-S629 CarbonylContact C-O 3.55Å; H595-S629 WeakPolarHBondContact CA-O 3.43Å; H595-K630 WeakPolarHBondContact NE2-CG 3.48Å
596	S	92.9	Very high	89.2	Confident	17 Å²	17	31.6 Å²	31.6	12%	0.119	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	171.2	-173.7	0	0	0	0	109	V583 L584 M585 T628 S629	V583-S596 WeakPolarHBondContact CG1-OG 3.23Å; L584-S596 CarbonylContact O-C 3.47Å; L584-S596 WeakPolarHBondContact O-CA 3.43Å; M585-S596 VanDerWaalsContact SD-CB 3.54Å; M585-S596 PolarHBondContact SD-OG 3.06Å; M585-S596 VanDerWaalsContact SD-OG 3.34Å; S596-T628 CarbonylContact O-C 3.58Å; S596-T628 WeakPolarHBondContact O-CA 3.29Å; S596-S629 PolarHBondContact N-O 3.02Å; S596-S629 PolarHBondContact O-N 3.38Å
597	H	92.7	Very high	88.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.4	-175.3	-42.3	-107.5	0	0	0	111.1	Y570 V583 L584 S586 H595 L599 L602 V627 T628	Y570-H597 AromaticContact CD1-CE1 3.84Å; Y570-H597 AromaticContact CD2-CE1 3.94Å; Y570-H597 AromaticContact CE1-CE1 3.93Å; Y570-H597 AromaticContact CG-CE1 3.84Å; V583-H597 WeakPolarHBondContact CA-O 3.39Å; L584-H597 HydrophobicContact CB-CB 4.27Å; L584-H597 PolarHBondContact N-O 3.27Å; L584-H597 PolarHBondContact O-CD2 3.06Å; L584-H597 PolarHBondContact O-N 2.99Å; S586-H597 PolarHBondContact OG-NE2 3.44Å; H595-H597 WeakPolarHBondContact CB-NE2 3.43Å; H597-L599 PolarHBondContact O-N 3.06Å; H597-L602 HydrophobicContact CB-CD2 4.11Å; H597-V627 CarbonylContact C-O 3.59Å; H597-V627 VanDerWaalsContact CA-O 3.25Å; H597-V627 WeakPolarHBondContact CA-O 3.29Å; H597-T628 VanDerWaalsContact CE1-CG2 3.46Å; H597-T628 WeakPolarHBondContact CE1-CG2 3.3Å; H597-T628 VanDerWaalsContact ND1-CG2 3.29Å; H597-T628 WeakPolarHBondContact ND1-CG2 3.45Å; H597-T628 PolarHBondContact ND1-OG1 2.92Å
598	S	90.4	Very high	87	Confident	30 Å²	30	41.2 Å²	41.2	21%	0.21	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	103.1	168.3	178.7	0	0	0	0	108.9	K600 E601 L602 V627	S598-K600 VanDerWaalsContact C-N 3.28Å; S598-K600 PolarHBondContact O-N 2.84Å; S598-E601 VanDerWaalsContact CB-OE1 3.25Å; S598-E601 WeakPolarHBondContact CB-OE1 3.41Å; S598-E601 PolarHBondContact O-N 3.25Å; S598-E601 PolarHBondContact OG-OE1 2.96Å; S598-L602 VanDerWaalsContact O-CB 3.28Å; S598-L602 WeakPolarHBondContact O-CB 3.49Å; S598-L602 PolarHBondContact O-N 3.22Å; S598-V627 PolarHBondContact N-O 3.15Å
599	L	90.3	Very high	85.5	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-39.2	-173.6	-86.3	164.5	0	0	0	112.3	W536 I547 L569 T579 N582 L584 H597 L602 Y603	W536-L599 HydrophobicContact CB-CD1 4.13Å; W536-L599 HydrophobicContact CD2-CB 4.2Å; W536-L599 HydrophobicContact CD2-CD1 4.17Å; W536-L599 HydrophobicContact CG-CD1 3.72Å; W536-L599 HydrophobicContact CZ2-CB 4.02Å; I547-L599 HydrophobicContact CD1-CD2 4.4Å; L569-L599 HydrophobicContact CD1-CD2 4.37Å; T579-L599 HydrophobicContact CG2-CD1 3.6Å; N582-L599 WeakPolarHBondContact O-CB 3.11Å; N582-L599 PolarHBondContact O-N 3.01Å; L584-L599 HydrophobicContact CB-CD1 3.86Å; L584-L599 HydrophobicContact CB-CD2 3.76Å; L584-L599 HydrophobicContact CB-CG 3.59Å; L584-L599 HydrophobicContact CD2-CD2 4.14Å; H597-L599 PolarHBondContact O-N 3.06Å; L599-L602 PolarHBondContact O-N 2.99Å; L599-Y603 WeakPolarHBondContact O-CB 3.27Å; L599-Y603 PolarHBondContact O-N 2.86Å
600	K	87.4	Confident	84.1	Confident	91 Å²	91	49.1 Å²	49.1	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-51	178.6	-174.3	-173.3	174.3	-169.2	0	111.2	S598 E604	S598-K600 VanDerWaalsContact C-N 3.28Å; S598-K600 PolarHBondContact O-N 2.84Å; K600-E604 WeakPolarHBondContact CE-OE1 3.35Å; K600-E604 WeakPolarHBondContact O-CB 3.44Å; K600-E604 WeakPolarHBondContact O-CG 3.38Å; K600-E604 PolarHBondContact O-N 3.14Å
601	E	85.8	Confident	82.7	Confident	75 Å²	75	51 Å²	51	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-42.3	179.7	-72.5	156.1	-121.1	0	0	111.8	S598 E604 Q605 V627	S598-E601 VanDerWaalsContact CB-OE1 3.25Å; S598-E601 WeakPolarHBondContact CB-OE1 3.41Å; S598-E601 PolarHBondContact O-N 3.25Å; S598-E601 PolarHBondContact OG-OE1 2.96Å; E601-E604 PolarHBondContact O-N 3.05Å; E601-Q605 VanDerWaalsContact O-CB 3.26Å; E601-Q605 WeakPolarHBondContact O-CB 3.44Å; E601-Q605 PolarHBondContact O-N 3.4Å; E601-V627 HydrophobicContact CB-CG1 3.82Å; E601-V627 HydrophobicContact CB-CG2 4.2Å
602	L	87.4	Confident	80.3	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-43.4	179.6	-166.3	70.9	0	0	0	111.7	L569 Y570 H597 S598 L599 Q605 A606 V627	L569-L602 HydrophobicContact CB-CD2 3.81Å; L569-L602 HydrophobicContact CB-CG 4.05Å; L569-L602 HydrophobicContact CD1-CD2 4.41Å; L569-L602 VanDerWaalsContact O-CD1 3.31Å; L569-L602 WeakPolarHBondContact O-CD1 3.48Å; Y570-L602 HydrophobicContact CD2-CD1 4.48Å; H597-L602 HydrophobicContact CB-CD2 4.11Å; S598-L602 VanDerWaalsContact O-CB 3.28Å; S598-L602 WeakPolarHBondContact O-CB 3.49Å; S598-L602 PolarHBondContact O-N 3.22Å; L599-L602 PolarHBondContact O-N 2.99Å; L602-Q605 PolarHBondContact O-N 3.43Å; L602-A606 PolarHBondContact O-N 2.91Å; L602-V627 HydrophobicContact CB-CG1 4.12Å; L602-V627 HydrophobicContact CD1-CG1 4.06Å
603	Y	88.5	Confident	77.4	Confident	16 Å²	16	57 Å²	57	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-44	175.1	177.8	-100.3	0	0	0	112.5	W536 N538 H545 T556 L569 L599 Q605 A606 R607	W536-Y603 HydrophobicContact CH2-CD1 4.09Å; W536-Y603 AromaticContact CH2-CG 3.95Å; W536-Y603 HydrophobicContact CH2-CG 3.95Å; W536-Y603 HydrophobicContact CZ3-CD1 4.26Å; W536-Y603 HydrophobicContact CZ3-CD2 4.03Å; W536-Y603 AromaticContact CZ3-CG 3.82Å; W536-Y603 HydrophobicContact CZ3-CG 3.82Å; N538-Y603 WeakPolarHBondContact ND2-CE1 3.26Å; H545-Y603 AromaticContact CE1-CE2 3.46Å; H545-Y603 VanDerWaalsContact CE1-CE2 3.46Å; H545-Y603 WeakPolarHBondContact CE1-CE2 3.41Å; H545-Y603 AromaticContact CE1-CZ 3.75Å; T556-Y603 HydrophobicContact CG2-CD2 4.24Å; T556-Y603 HydrophobicContact CG2-CE2 4.35Å; L569-Y603 HydrophobicContact CD2-CD2 4.32Å; L599-Y603 WeakPolarHBondContact O-CB 3.27Å; L599-Y603 PolarHBondContact O-N 2.86Å; Y603-Q605 VanDerWaalsContact C-N 3.3Å; Y603-Q605 PolarHBondContact O-N 3.36Å; Y603-A606 PolarHBondContact O-N 3.49Å; Y603-R607 VanDerWaalsContact CZ-CD 3.41Å; Y603-R607 WeakPolarHBondContact O-CG 2.92Å; Y603-R607 PolarHBondContact O-N 2.9Å; Y603-R607 VanDerWaalsContact O-N 3.14Å; Y603-R607 WeakPolarHBondContact OH-CD 3.33Å; Y603-R607 PolarHBondContact OH-NH1 3.19Å
604	E	84.1	Confident	74.6	Confident	73 Å²	73	61.9 Å²	61.9	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-40.1	173.3	-83.5	-170	-143.5	0	0	112.2	K600 E601 R607 K608	K600-E604 WeakPolarHBondContact CE-OE1 3.35Å; K600-E604 WeakPolarHBondContact O-CB 3.44Å; K600-E604 WeakPolarHBondContact O-CG 3.38Å; K600-E604 PolarHBondContact O-N 3.14Å; E601-E604 PolarHBondContact O-N 3.05Å; E604-R607 PolarHBondContact O-N 2.71Å; E604-K608 WeakPolarHBondContact O-CD 3.15Å; E604-K608 WeakPolarHBondContact O-CG 3.18Å; E604-K608 PolarHBondContact O-N 3.05Å; E604-K608 IonicContact OE2-NZ 3.64Å; E604-K608 PolarHBondContact OE2-NZ 2.66Å
605	Q	79.9	Confident	71.4	Confident	43 Å²	43	67 Å²	67	20%	0.201	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-49.6	178.5	-178.5	55.7	29.6	0	0	111.2	E601 L602 Y603 R607 K608 D609	E601-Q605 VanDerWaalsContact O-CB 3.26Å; E601-Q605 WeakPolarHBondContact O-CB 3.44Å; E601-Q605 PolarHBondContact O-N 3.4Å; L602-Q605 PolarHBondContact O-N 3.43Å; Y603-Q605 VanDerWaalsContact C-N 3.3Å; Y603-Q605 PolarHBondContact O-N 3.36Å; Q605-R607 PolarHBondContact O-N 2.73Å; Q605-K608 WeakPolarHBondContact O-CB 3.44Å; Q605-K608 PolarHBondContact O-N 2.73Å; Q605-D609 PolarHBondContact NE2-OD1 3.13Å; Q605-D609 PolarHBondContact NE2-OD2 3.47Å; Q605-D609 PolarHBondContact O-N 2.73Å
606	A	81.2	Confident	68.3	Low	13 Å²	13	72.5 Å²	72.5	11%	0.107	37%	0.367	C	S	.	.	H	α-helix	trans	-53.6	-41	176	0	0	0	0	0	112	L569 L602 Y603 Q610	L569-A606 HydrophobicContact CD2-CB 3.95Å; L602-A606 PolarHBondContact O-N 2.91Å; Y603-A606 PolarHBondContact O-N 3.49Å; A606-Q610 VanDerWaalsContact O-CD 3.3Å; A606-Q610 WeakPolarHBondContact O-CG 3.16Å; A606-Q610 PolarHBondContact O-N 2.75Å; A606-Q610 PolarHBondContact O-NE2 3.29Å
607	R	77	Confident	65.5	Low	95 Å²	95	78 Å²	78	36%	0.358	40%	0.399	S	S	.	.	H	α-helix	trans	-77.2	-22	177.4	-65.8	-173.1	76.5	177.2	5.1	114.6	Y603 E604 Q605 R611	Y603-R607 VanDerWaalsContact CZ-CD 3.41Å; Y603-R607 WeakPolarHBondContact O-CG 2.92Å; Y603-R607 PolarHBondContact O-N 2.9Å; Y603-R607 VanDerWaalsContact O-N 3.14Å; Y603-R607 WeakPolarHBondContact OH-CD 3.33Å; Y603-R607 PolarHBondContact OH-NH1 3.19Å; E604-R607 PolarHBondContact O-N 2.71Å; Q605-R607 PolarHBondContact O-N 2.73Å; R607-R611 WeakPolarHBondContact O-CG 3.23Å
608	K	67.9	Low	62.7	Low	106 Å²	106	85.2 Å²	85.2	46%	0.461	43%	0.433	S	S	.	.	H	α-helix	trans	-72.9	-46.2	172.4	-74.4	159.1	-166.7	166.3	0	110.5	E604 Q605 Q610 R611	E604-K608 WeakPolarHBondContact O-CD 3.15Å; E604-K608 WeakPolarHBondContact O-CG 3.18Å; E604-K608 PolarHBondContact O-N 3.05Å; E604-K608 IonicContact OE2-NZ 3.64Å; E604-K608 PolarHBondContact OE2-NZ 2.66Å; Q605-K608 WeakPolarHBondContact O-CB 3.44Å; Q605-K608 PolarHBondContact O-N 2.73Å; K608-Q610 PolarHBondContact O-N 2.82Å; K608-R611 PolarHBondContact O-N 2.9Å; K608-R611 VanDerWaalsContact O-N 3.11Å
609	D	61.5	Low	60	Low	103 Å²	103	92.3 Å²	92.3	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-66.3	-23	-178.8	-67.6	-26.2	0	0	0	113.6	Q605 R611	Q605-D609 PolarHBondContact NE2-OD1 3.13Å; Q605-D609 PolarHBondContact NE2-OD2 3.47Å; Q605-D609 PolarHBondContact O-N 2.73Å; D609-R611 VanDerWaalsContact C-N 3.32Å; D609-R611 PolarHBondContact O-N 3.24Å
610	Q	57.5	Low	57.6	Low	80 Å²	80	98 Å²	98	37%	0.374	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.6	174.5	-70.4	164.9	32.4	0	0	114.7	E567 A606 K608	E567-Q610 VanDerWaalsContact CD-NE2 3.32Å; E567-Q610 PolarHBondContact OE2-NE2 2.93Å; A606-Q610 VanDerWaalsContact O-CD 3.3Å; A606-Q610 WeakPolarHBondContact O-CG 3.16Å; A606-Q610 PolarHBondContact O-N 2.75Å; A606-Q610 PolarHBondContact O-NE2 3.29Å; K608-Q610 PolarHBondContact O-N 2.82Å
611	R	54.1	Low	55.2	Low	201 Å²	201	99.1 Å²	99.1	76%	0.758	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	2.3	-165.8	-79.1	-178.3	169.5	-168.3	-1.8	115.9	R607 K608 D609	R607-R611 WeakPolarHBondContact O-CG 3.23Å; K608-R611 PolarHBondContact O-N 2.9Å; K608-R611 VanDerWaalsContact O-N 3.11Å; D609-R611 VanDerWaalsContact C-N 3.32Å; D609-R611 PolarHBondContact O-N 3.24Å
612	M	36.4	Very low	52.7	Low	99 Å²	99	98.9 Å²	98.9	49%	0.488	50%	0.501	S	S	.	.			trans	-98.1	113.3	-169.7	-74.8	-156.5	61.2	0	0	115.7	L615	M612-L615 HydrophobicContact CE-CB 4.04Å
613	V	30.4	Very low	50.4	Low	114 Å²	114	104.7 Å²	104.7	69%	0.691	52%	0.522	S	S	*	.			trans	-54.3	141.9	144.2	173.1	0	0	0	0	108.7	L615	V613-L615 PolarHBondContact O-N 2.92Å
614	P	32.5	Very low	48.2	Very low	127 Å²	127	109.4 Å²	109.4	83%	0.825	54%	0.543	S	S	*	.			trans	-61.7	110.1	179.9	24.6	-35.3	0	0	0	112
615	L	29.2	Very low	46.3	Very low	108 Å²	108	108.8 Å²	108.8	57%	0.565	55%	0.546	S	S	*	.			trans	-122.4	151.1	164.8	-79	167	0	0	0	108.4	M612 V613 T617	M612-L615 HydrophobicContact CE-CB 4.04Å; V613-L615 PolarHBondContact O-N 2.92Å; L615-T617 PolarHBondContact O-N 3.07Å
616	P	27.4	Very low	45.2	Very low	119 Å²	119	110.4 Å²	110.4	77%	0.773	56%	0.561	S	S	*	*			trans	-52.7	132.7	-172.4	-29.6	36.6	0	0	0	114.5	H618	P616-H618 PolarHBondContact O-N 3.24Å
617	T	34.3	Very low	45	Very low	131 Å²	131	112.1 Å²	112.1	80%	0.804	57%	0.569	S	S	*	*	S	Bend	trans	-82.9	75	-161.9	48.9	0	0	0	0	113.9	L615	L615-T617 PolarHBondContact O-N 3.07Å
618	H	34	Very low	45.4	Very low	154 Å²	154	109.2 Å²	109.2	71%	0.713	56%	0.562	S	S	*	*			trans	-131.1	20.5	170.8	-76.9	-66.1	0	0	0	115.3	P616 L620	P616-H618 PolarHBondContact O-N 3.24Å; H618-L620 PolarHBondContact O-N 3.11Å
619	R	34.2	Very low	46.2	Very low	179 Å²	179	106 Å²	106	68%	0.675	55%	0.553	S	S	*	*			trans	-79	68.4	168.7	-73.3	-175.7	174.7	172.1	-1.2	111.7
620	L	39.2	Very low	47.5	Very low	119 Å²	119	105.6 Å²	105.6	62%	0.623	55%	0.546	S	S	*	.			trans	-70.9	133.6	175.1	-72.6	165.2	0	0	0	110.9	K307 H618	K307-L620 VanDerWaalsContact CE-O 3.25Å; K307-L620 WeakPolarHBondContact CE-O 3.48Å; K307-L620 PolarHBondContact NZ-O 3.29Å; H618-L620 PolarHBondContact O-N 3.11Å
621	L	36	Very low	49	Very low	115 Å²	115	103.1 Å²	103.1	60%	0.602	54%	0.535	S	S	*	.			trans	-67.8	146.9	174.8	-66.5	164.5	0	0	0	110.9	R623	L621-R623 PolarHBondContact O-N 3.39Å; L621-R623 VanDerWaalsContact O-N 3.13Å
622	S	33.6	Very low	50.3	Low	70 Å²	70	97.8 Å²	97.8	49%	0.49	53%	0.527	S	S	.	.			trans	-70.5	109.5	173	-170.1	0	0	0	0	109.9	V114 K624	V114-S622 PolarHBondContact O-OG 3.33Å; S622-K624 PolarHBondContact O-N 3.48Å
623	R	39.6	Very low	52.6	Low	133 Å²	133	99.1 Å²	99.1	50%	0.502	54%	0.536	S	S	.	.			trans	-73	108	166	-85.2	-178.3	160.4	-143.5	-12.7	108.7	T312 D314 L621	T312-R623 PolarHBondContact OG1-NH1 2.87Å; D314-R623 IonicContact OD2-CZ 3.28Å; D314-R623 IonicContact OD2-NH1 3.55Å; D314-R623 PolarHBondContact OD2-NH1 3.44Å; D314-R623 IonicContact OD2-NH2 2.67Å; D314-R623 PolarHBondContact OD2-NH2 3.1Å; L621-R623 PolarHBondContact O-N 3.39Å; L621-R623 VanDerWaalsContact O-N 3.13Å
624	K	42.6	Very low	55.5	Low	115 Å²	115	93.7 Å²	93.7	50%	0.5	50%	0.503	S	S	.	.	S	Bend		178	45.6	119.9	-89.9	165.2	-152	176.2	0	115.9	L220 S622	L220-K624 HydrophobicContact CD1-CB 3.87Å; L220-K624 HydrophobicContact CD1-CD 3.27Å; L220-K624 HydrophobicContact CD1-CG 4.08Å; S622-K624 PolarHBondContact O-N 3.48Å
625	C	44.1	Very low	58.3	Low	61 Å²	61	95 Å²	95	41%	0.412	50%	0.496	S	S	.	.	S	Bend		-116.9	135.1	127.4	-163	0	0	0	0	107.4	V627	C625-V627 PolarHBondContact O-N 3.13Å; C625-V627 VanDerWaalsContact O-N 3.16Å
626	P	56.3	Low	61.1	Low	77 Å²	77	91 Å²	91	50%	0.5	48%	0.481	S	S	.	.			trans	-78.3	102.3	175.9	-4.6	22.1	0	0	0	109.2	T628 S629	P626-T628 WeakPolarHBondContact CB-O 3.23Å; P626-T628 CarbonylContact O-C 3.48Å; P626-T628 PolarHBondContact O-N 3.42Å; P626-S629 WeakPolarHBondContact CB-OG 3.43Å; P626-S629 PolarHBondContact O-OG 3.2Å
627	V	77.3	Confident	64.3	Low	48 Å²	48	85.5 Å²	85.5	29%	0.291	45%	0.445	S	S	.	.	S	Bend	trans	-43.7	-33.7	172.9	-178.1	0	0	0	0	111.5	H597 S598 E601 L602 C625	H597-V627 CarbonylContact C-O 3.59Å; H597-V627 VanDerWaalsContact CA-O 3.25Å; H597-V627 WeakPolarHBondContact CA-O 3.29Å; S598-V627 PolarHBondContact N-O 3.15Å; E601-V627 HydrophobicContact CB-CG1 3.82Å; E601-V627 HydrophobicContact CB-CG2 4.2Å; L602-V627 HydrophobicContact CB-CG1 4.12Å; L602-V627 HydrophobicContact CD1-CG1 4.06Å; C625-V627 PolarHBondContact O-N 3.13Å; C625-V627 VanDerWaalsContact O-N 3.16Å
628	T	85.3	Confident	66.9	Low	35 Å²	35	83.2 Å²	83.2	22%	0.215	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	164	-61.5	0	0	0	0	109.5	Y570 H595 S596 H597 P626	Y570-T628 HydrophobicContact CE2-CG2 3.79Å; H595-T628 HydrophobicContact CB-CG2 4.1Å; S596-T628 CarbonylContact O-C 3.58Å; S596-T628 WeakPolarHBondContact O-CA 3.29Å; H597-T628 VanDerWaalsContact CE1-CG2 3.46Å; H597-T628 WeakPolarHBondContact CE1-CG2 3.3Å; H597-T628 VanDerWaalsContact ND1-CG2 3.29Å; H597-T628 WeakPolarHBondContact ND1-CG2 3.45Å; H597-T628 PolarHBondContact ND1-OG1 2.92Å; P626-T628 WeakPolarHBondContact CB-O 3.23Å; P626-T628 CarbonylContact O-C 3.48Å; P626-T628 PolarHBondContact O-N 3.42Å
629	S	84.9	Confident	69.6	Low	38 Å²	38	77.7 Å²	77.7	27%	0.266	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.8	176.8	-65.4	0	0	0	0	110.5	H595 S596 P626	H595-S629 CarbonylContact C-O 3.55Å; H595-S629 WeakPolarHBondContact CA-O 3.43Å; S596-S629 PolarHBondContact N-O 3.02Å; S596-S629 PolarHBondContact O-N 3.38Å; P626-S629 WeakPolarHBondContact CB-OG 3.43Å; P626-S629 PolarHBondContact O-OG 3.2Å
630	K	89.1	Confident	72.5	Confident	94 Å²	94	69.3 Å²	69.3	41%	0.409	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131	170.4	-75.1	172.4	-179.7	173.6	0	109.8	D316 H595	D316-K630 IonicContact OD2-NZ 2.62Å; D316-K630 PolarHBondContact OD2-NZ 3.26Å; H595-K630 WeakPolarHBondContact NE2-CG 3.48Å
631	I	87.8	Confident	75.1	Confident	28 Å²	28	63.9 Å²	63.9	14%	0.144	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-80.6	126.9	173.8	-55.4	-57.4	0	0	0	108.7	M585 Q593 L594 T634 L659	M585-I631 HydrophobicContact CE-CD1 4.42Å; M585-I631 HydrophobicContact CE-CG1 4.15Å; Q593-I631 PolarHBondContact NE2-O 3.19Å; L594-I631 HydrophobicContact CB-CB 4.26Å; L594-I631 HydrophobicContact CB-CG1 4.32Å; L594-I631 HydrophobicContact CD2-CB 4.29Å; L594-I631 HydrophobicContact CD2-CG1 3.94Å; L594-I631 HydrophobicContact CD2-CG2 4.44Å; L594-I631 HydrophobicContact CG-CB 4.4Å; L594-I631 HydrophobicContact CG-CG1 3.96Å; L594-I631 WeakPolarHBondContact O-CB 3.44Å; L594-I631 PolarHBondContact O-N 3.32Å; I631-T634 HydrophobicContact CB-CG2 4.25Å; I631-T634 HydrophobicContact CG2-CG2 3.86Å; I631-T634 PolarHBondContact O-OG1 3.15Å; I631-L659 HydrophobicContact CG2-CD1 4.45Å
632	P	82.6	Confident	77.7	Confident	89 Å²	89	60.1 Å²	60.1	58%	0.578	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	154.4	176.1	-27	35.8	0	0	0	113	T634	P632-T634 PolarHBondContact O-N 2.91Å
633	D	83.5	Confident	80.2	Confident	128 Å²	128	56.8 Å²	56.8	68%	0.684	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	10.2	170.9	-49.4	-36.4	0	0	0	117	L652	D633-L652 WeakPolarHBondContact O-CD1 3.02Å
634	T	91.6	Very high	82	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.309	C	S	.	.			trans	-100.4	18.3	176.6	60.8	0	0	0	0	114.1	Q593 L594 I631 P632 C637 V657	Q593-T634 WeakPolarHBondContact CG-OG1 3.39Å; L594-T634 HydrophobicContact CB-CG2 4.03Å; L594-T634 WeakPolarHBondContact CB-OG1 3.34Å; L594-T634 HydrophobicContact CD2-CG2 4.38Å; L594-T634 PolarHBondContact N-OG1 3.15Å; I631-T634 HydrophobicContact CB-CG2 4.25Å; I631-T634 HydrophobicContact CG2-CG2 3.86Å; I631-T634 PolarHBondContact O-OG1 3.15Å; P632-T634 PolarHBondContact O-N 2.91Å; T634-C637 WeakPolarHBondContact O-CB 3.11Å; T634-C637 PolarHBondContact O-N 2.88Å; T634-V657 HydrophobicContact CG2-CG1 4.42Å
635	K	91.1	Very high	83.7	Confident	154 Å²	154	52.3 Å²	52.3	67%	0.67	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	131.4	-178.9	-172.8	-177.3	178.6	-178.9	0	110.6
636	G	89.8	Confident	85.6	Confident	25 Å²	25	52.8 Å²	52.8	26%	0.258	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	28.2	-174.2	0	0	0	0	0	113.3	S591 S592 K638	S591-G636 PolarHBondContact O-N 2.86Å; S592-G636 PolarHBondContact O-N 3.27Å; G636-K638 PolarHBondContact O-N 2.84Å
637	C	93.4	Very high	87.3	Confident	2 Å²	2	50 Å²	50	1%	0.014	29%	0.286	C	S	.	.			trans	-68.1	122.8	174.7	-172.8	0	0	0	0	111.1	V587 S592 T634 T639 C640 A651 L652	V587-C637 HydrophobicContact CG1-CB 4.11Å; V587-C637 HydrophobicContact CG2-CB 4.41Å; S592-C637 WeakPolarHBondContact CB-O 3.39Å; S592-C637 WeakPolarHBondContact O-CA 3.39Å; S592-C637 WeakPolarHBondContact O-CB 3.36Å; S592-C637 PolarHBondContact O-N 3.09Å; T634-C637 WeakPolarHBondContact O-CB 3.11Å; T634-C637 PolarHBondContact O-N 2.88Å; C637-T639 PolarHBondContact SG-O 2.89Å; C637-T639 VanDerWaalsContact SG-O 3.36Å; C637-C640 VanDerWaalsContact SG-SG 3.61Å; C637-A651 CarbonylContact C-O 3.32Å; C637-A651 VanDerWaalsContact CA-O 3.27Å; C637-A651 WeakPolarHBondContact CA-O 3.42Å; C637-A651 PolarHBondContact SG-O 2.85Å; C637-A651 VanDerWaalsContact SG-O 3.39Å; C637-L652 HydrophobicContact CB-CD2 4.12Å
638	K	89.2	Confident	88.1	Confident	83 Å²	83	47.8 Å²	47.8	36%	0.361	27%	0.272	S	S	.	.			trans	-79.6	-45.1	179.5	-67.4	176.9	178.1	171.5	0	111.6	G636 A651 D653	G636-K638 PolarHBondContact O-N 2.84Å; K638-A651 HydrophobicContact CB-CB 4.36Å; K638-A651 PolarHBondContact N-O 3.13Å; K638-D653 WeakPolarHBondContact CE-OD1 3.46Å; K638-D653 IonicContact NZ-OD1 3.81Å; K638-D653 PolarHBondContact NZ-OD1 2.75Å
639	T	90.8	Very high	88.6	Confident	38 Å²	38	46.1 Å²	46.1	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	159.5	-178.4	-172.8	0	0	0	0	109.7	C637 A651 L682 F685	C637-T639 PolarHBondContact SG-O 2.89Å; C637-T639 VanDerWaalsContact SG-O 3.36Å; T639-A651 HydrophobicContact CG2-CB 3.87Å; T639-A651 WeakPolarHBondContact O-CB 3.41Å; T639-A651 PolarHBondContact O-N 2.87Å; T639-L682 HydrophobicContact CG2-CD2 4.07Å; T639-F685 HydrophobicContact CG2-CB 3.7Å; T639-F685 HydrophobicContact CG2-CD1 3.8Å; T639-F685 HydrophobicContact CG2-CG 3.84Å
640	C	94.4	Very high	89.1	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.4	169.4	-70.4	0	0	0	0	110.6	W576 C637 L648 C649 C650	W576-C640 HydrophobicContact CD2-CB 3.66Å; W576-C640 HydrophobicContact CE3-CB 3.83Å; W576-C640 HydrophobicContact CG-CB 4.27Å; W576-C640 HydrophobicContact CH2-CB 3.75Å; W576-C640 HydrophobicContact CZ2-CB 3.59Å; W576-C640 HydrophobicContact CZ3-CB 3.86Å; W576-C640 PolarHBondContact NE1-O 3.28Å; C637-C640 VanDerWaalsContact SG-SG 3.61Å; C640-L648 HydrophobicContact CB-CD2 4.13Å; C640-C649 CarbonylContact C-O 3.39Å; C640-C649 WeakPolarHBondContact CA-O 3.42Å; C640-C649 WeakPolarHBondContact CB-O 3.26Å; C640-C650 VanDerWaalsContact SG-SG 3.61Å
641	A	93.3	Very high	89.3	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.9	170.9	0	0	0	0	0	109.4	L648 C649 F685 M687	A641-L648 WeakPolarHBondContact O-CA 3.39Å; A641-C649 PolarHBondContact N-O 3.14Å; A641-C649 PolarHBondContact O-N 3.1Å; A641-F685 HydrophobicContact CB-CD1 3.85Å; A641-F685 HydrophobicContact CB-CE1 4.04Å; A641-F685 WeakPolarHBondContact CB-O 3.43Å; A641-M687 VanDerWaalsContact C-SD 3.52Å; A641-M687 HydrophobicContact CB-CB 4.35Å; A641-M687 HydrophobicContact CB-CG 3.7Å; A641-M687 HydrophobicContact CB-SD 4.16Å
642	V	92.3	Very high	89.4	Confident	36 Å²	36	39 Å²	39	22%	0.218	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	-178.9	167	0	0	0	0	110.1	W576 Y578 F647 L648	W576-V642 HydrophobicContact CH2-CG2 4.08Å; W576-V642 HydrophobicContact CZ2-CG2 3.94Å; Y578-V642 HydrophobicContact CD1-CG2 3.9Å; Y578-V642 HydrophobicContact CD2-CG2 4.13Å; Y578-V642 HydrophobicContact CE1-CG1 4.26Å; Y578-V642 HydrophobicContact CE1-CG2 4.07Å; Y578-V642 HydrophobicContact CE2-CB 4.45Å; Y578-V642 HydrophobicContact CE2-CG1 3.98Å; Y578-V642 HydrophobicContact CE2-CG2 4.29Å; Y578-V642 HydrophobicContact CG-CG2 3.93Å; V642-F647 CarbonylContact C-O 3.58Å; V642-F647 VanDerWaalsContact CA-O 3.29Å; V642-F647 WeakPolarHBondContact CA-O 3.3Å; V642-L648 HydrophobicContact CG2-CB 4.26Å; V642-L648 HydrophobicContact CG2-CG 4.04Å
643	G	85.4	Confident	89.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.1	176.7	0	0	0	0	0	111.3	N645 L646 F647 M687	G643-N645 PolarHBondContact O-N 3.46Å; G643-N645 VanDerWaalsContact O-N 3.12Å; G643-L646 PolarHBondContact O-N 3.1Å; G643-L646 VanDerWaalsContact O-N 3.14Å; G643-F647 PolarHBondContact N-O 3.4Å; G643-F647 PolarHBondContact O-N 3.48Å; G643-F647 VanDerWaalsContact O-N 3.08Å; G643-M687 PolarHBondContact N-SD 3.22Å; G643-M687 VanDerWaalsContact N-SD 3.42Å
644	G	76.8	Confident	89.5	Confident	64 Å²	64	37.3 Å²	37.3	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	26.3	169.1	0	0	0	0	0	115.4	L646	G644-L646 PolarHBondContact O-N 2.79Å
645	N	77.8	Confident	89.3	Confident	89 Å²	89	37.6 Å²	37.6	48%	0.476	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	3.9	-171.5	-58.8	-29	0	0	0	115.9	Y578 I580 G643	Y578-N645 PolarHBondContact OH-OD1 2.83Å; Y578-N645 VanDerWaalsContact OH-OD1 3.09Å; I580-N645 WeakPolarHBondContact CD1-O 3.3Å; G643-N645 PolarHBondContact O-N 3.46Å; G643-N645 VanDerWaalsContact O-N 3.12Å
646	L	84.4	Confident	89.4	Confident	71 Å²	71	30.3 Å²	30.3	37%	0.372	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-27.2	-177.5	-179.1	58.6	0	0	0	112.8	G643 G644 Q660 W661	G643-L646 PolarHBondContact O-N 3.1Å; G643-L646 VanDerWaalsContact O-N 3.14Å; G644-L646 PolarHBondContact O-N 2.79Å; L646-Q660 HydrophobicContact CD1-CG 3.95Å; L646-Q660 HydrophobicContact CG-CG 4.15Å; L646-Q660 CarbonylContact O-C 3.27Å; L646-Q660 WeakPolarHBondContact O-CA 3.5Å; L646-W661 HydrophobicContact CD1-CB 4.41Å; L646-W661 PolarHBondContact O-N 3.49Å
647	F	92.6	Very high	89.5	Confident	20 Å²	20	29.4 Å²	29.4	9%	0.088	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.9	-175.8	-58.8	-80.3	0	0	0	111.5	V642 G643 L658 L659 Q660 I671 M687 Y695 P696	V642-F647 CarbonylContact C-O 3.58Å; V642-F647 VanDerWaalsContact CA-O 3.29Å; V642-F647 WeakPolarHBondContact CA-O 3.3Å; G643-F647 PolarHBondContact N-O 3.4Å; G643-F647 PolarHBondContact O-N 3.48Å; G643-F647 VanDerWaalsContact O-N 3.08Å; F647-L658 HydrophobicContact CB-CD1 4.3Å; F647-L658 HydrophobicContact CD1-CD1 4.44Å; F647-L659 WeakPolarHBondContact CA-O 3.33Å; F647-Q660 HydrophobicContact CD1-CB 4.24Å; F647-Q660 HydrophobicContact CD1-CG 4.04Å; F647-Q660 HydrophobicContact CE1-CB 4.33Å; F647-Q660 HydrophobicContact CE1-CG 3.86Å; F647-I671 HydrophobicContact CD1-CD1 3.85Å; F647-I671 HydrophobicContact CE1-CD1 3.81Å; F647-M687 HydrophobicContact CB-CE 3.68Å; F647-Y695 HydrophobicContact CE1-CD1 4.05Å; F647-Y695 HydrophobicContact CE1-CE1 4.44Å; F647-P696 HydrophobicContact CB-CG 4.02Å; F647-P696 HydrophobicContact CD2-CG 3.47Å; F647-P696 VanDerWaalsContact CD2-CG 3.47Å; F647-P696 HydrophobicContact CE2-CG 4.07Å; F647-P696 HydrophobicContact CG-CG 3.86Å
648	L	94.7	Very high	89.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.9	174.6	-172.2	169.5	0	0	0	108.2	W576 M585 L594 C640 A641 V642 C650 L659 F668	W576-L648 HydrophobicContact CH2-CD1 3.81Å; W576-L648 HydrophobicContact CH2-CG 4.07Å; W576-L648 HydrophobicContact CZ3-CD1 4.23Å; M585-L648 HydrophobicContact CB-CD1 4.02Å; M585-L648 HydrophobicContact CE-CD1 4.34Å; M585-L648 HydrophobicContact CG-CD1 3.86Å; L594-L648 HydrophobicContact CD2-CD2 4.08Å; C640-L648 HydrophobicContact CB-CD2 4.13Å; A641-L648 WeakPolarHBondContact O-CA 3.39Å; V642-L648 HydrophobicContact CG2-CB 4.26Å; V642-L648 HydrophobicContact CG2-CG 4.04Å; L648-C650 WeakPolarHBondContact CD2-SG 3.35Å; L648-L659 HydrophobicContact CB-CB 4.47Å; L648-L659 HydrophobicContact CD2-CD1 4.31Å; L648-L659 PolarHBondContact N-O 3.46Å; L648-L659 PolarHBondContact O-N 3.08Å; L648-F668 HydrophobicContact CB-CD1 3.73Å; L648-F668 HydrophobicContact CB-CE1 3.48Å; L648-F668 VanDerWaalsContact CB-CE1 3.48Å; L648-F668 HydrophobicContact CB-CG 4.37Å; L648-F668 HydrophobicContact CB-CZ 3.91Å; L648-F668 HydrophobicContact CD1-CD1 4.4Å; L648-F668 HydrophobicContact CD1-CD2 4Å; L648-F668 HydrophobicContact CD1-CE1 4.32Å; L648-F668 HydrophobicContact CD1-CE2 3.88Å; L648-F668 HydrophobicContact CD1-CG 4.26Å; L648-F668 HydrophobicContact CD1-CZ 4.05Å
649	C	94.8	Very high	89.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.8	-178.6	-167.3	0	0	0	0	110.7	C640 A641 V656 V657 F685 M687 V698	C640-C649 CarbonylContact C-O 3.39Å; C640-C649 WeakPolarHBondContact CA-O 3.42Å; C640-C649 WeakPolarHBondContact CB-O 3.26Å; A641-C649 PolarHBondContact N-O 3.14Å; A641-C649 PolarHBondContact O-N 3.1Å; C649-V656 WeakPolarHBondContact SG-CG1 3.27Å; C649-V657 CarbonylContact C-O 3.55Å; C649-V657 VanDerWaalsContact CA-O 3.32Å; C649-V657 WeakPolarHBondContact CA-O 3.4Å; C649-F685 HydrophobicContact CB-CE1 4.34Å; C649-F685 HydrophobicContact CB-CZ 4.43Å; C649-M687 HydrophobicContact CB-CE 3.89Å; C649-M687 HydrophobicContact CB-CG 3.98Å; C649-M687 HydrophobicContact CB-SD 3.29Å; C649-M687 WeakPolarHBondContact CB-SD 3.34Å; C649-V698 HydrophobicContact CB-CG2 4.49Å
650	C	94.6	Very high	89.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.5	-177.2	-43.2	0	0	0	0	111.1	C640 L648 V656 V657	C640-C650 VanDerWaalsContact SG-SG 3.61Å; L648-C650 WeakPolarHBondContact CD2-SG 3.35Å; C650-V656 WeakPolarHBondContact O-CA 3.44Å; C650-V657 HydrophobicContact CB-CB 4.11Å; C650-V657 PolarHBondContact N-O 3.22Å; C650-V657 PolarHBondContact O-N 2.64Å; C650-V657 VanDerWaalsContact O-N 3.08Å
651	A	93.3	Very high	89.4	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.1	170.8	0	0	0	0	0	110.8	C637 K638 T639 L678 L682 F685	C637-A651 CarbonylContact C-O 3.32Å; C637-A651 VanDerWaalsContact CA-O 3.27Å; C637-A651 WeakPolarHBondContact CA-O 3.42Å; C637-A651 PolarHBondContact SG-O 2.85Å; C637-A651 VanDerWaalsContact SG-O 3.39Å; K638-A651 HydrophobicContact CB-CB 4.36Å; K638-A651 PolarHBondContact N-O 3.13Å; T639-A651 HydrophobicContact CG2-CB 3.87Å; T639-A651 WeakPolarHBondContact O-CB 3.41Å; T639-A651 PolarHBondContact O-N 2.87Å; A651-L678 HydrophobicContact CB-CD1 3.48Å; A651-L678 VanDerWaalsContact CB-CD1 3.48Å; A651-L682 HydrophobicContact CB-CD2 3.84Å; A651-F685 HydrophobicContact CB-CD1 4.28Å; A651-F685 HydrophobicContact CB-CD2 3.93Å; A651-F685 HydrophobicContact CB-CE1 4.07Å; A651-F685 HydrophobicContact CB-CE2 3.7Å; A651-F685 HydrophobicContact CB-CG 4.21Å; A651-F685 HydrophobicContact CB-CZ 3.77Å
652	L	91.2	Very high	88.8	Confident	11 Å²	11	27 Å²	27	6%	0.058	16%	0.162	C	C	.	.			trans	-111.8	178.6	169.8	-59.8	166.7	0	0	0	109.8	D633 C637 S654 S655 V657 L678	D633-L652 WeakPolarHBondContact O-CD1 3.02Å; C637-L652 HydrophobicContact CB-CD2 4.12Å; L652-S654 PolarHBondContact O-N 3.12Å; L652-S655 WeakPolarHBondContact CB-O 3.46Å; L652-S655 WeakPolarHBondContact CD1-OG 3.44Å; L652-S655 PolarHBondContact N-O 3.01Å; L652-V657 HydrophobicContact CD1-CG2 3.68Å; L652-L678 WeakPolarHBondContact O-CD1 3.49Å
653	D	83.9	Confident	88	Confident	107 Å²	107	29.1 Å²	29.1	57%	0.572	17%	0.169	S	C	*	.	S	Bend	trans	-62	-42	178.4	-86	-62.7	0	0	0	113.9	K638	K638-D653 WeakPolarHBondContact CE-OD1 3.46Å; K638-D653 IonicContact NZ-OD1 3.81Å; K638-D653 PolarHBondContact NZ-OD1 2.75Å
654	S	83.6	Confident	87.3	Confident	74 Å²	74	32.6 Å²	32.6	52%	0.517	19%	0.192	S	C	.	.	S	Bend	trans	-127.1	9.9	-172.7	66.9	0	0	0	0	114.1	L652 F676	L652-S654 PolarHBondContact O-N 3.12Å; S654-F676 CarbonylContact C-O 3.58Å; S654-F676 CarbonylContact O-C 3.55Å; S654-F676 VanDerWaalsContact O-C 3.32Å; S654-F676 PolarHBondContact O-N 3.37Å; S654-F676 VanDerWaalsContact O-O 3.09Å
655	S	88.5	Confident	86.7	Confident	7 Å²	7	31 Å²	31	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	171.7	-176.5	58.8	0	0	0	0	113.5	L652 H673 F674 F676	L652-S655 WeakPolarHBondContact CB-O 3.46Å; L652-S655 WeakPolarHBondContact CD1-OG 3.44Å; L652-S655 PolarHBondContact N-O 3.01Å; S655-H673 WeakPolarHBondContact CB-NE2 3.33Å; S655-H673 PolarHBondContact OG-NE2 3.08Å; S655-F674 CarbonylContact C-O 3.45Å; S655-F674 WeakPolarHBondContact CA-O 3.4Å; S655-F674 WeakPolarHBondContact CB-O 3.43Å; S655-F676 PolarHBondContact N-O 2.6Å
656	V	91.5	Very high	86.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.1	177.3	174.5	0	0	0	0	109.9	C649 C650 F674 L678 F685 I717	C649-V656 WeakPolarHBondContact SG-CG1 3.27Å; C650-V656 WeakPolarHBondContact O-CA 3.44Å; V656-F674 PolarHBondContact N-O 3.47Å; V656-F674 PolarHBondContact O-N 3.16Å; V656-L678 HydrophobicContact CG2-CD1 4.07Å; V656-L678 HydrophobicContact CG2-CD2 3.93Å; V656-L678 HydrophobicContact CG2-CG 4.17Å; V656-F685 HydrophobicContact CG1-CZ 4.38Å; V656-F685 HydrophobicContact CG2-CE2 4.34Å; V656-I717 HydrophobicContact CG2-CD1 3.8Å
657	V	92.6	Very high	86.7	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.4	178.8	176.1	0	0	0	0	109.6	T634 C649 C650 L652 L659 L670	T634-V657 HydrophobicContact CG2-CG1 4.42Å; C649-V657 CarbonylContact C-O 3.55Å; C649-V657 VanDerWaalsContact CA-O 3.32Å; C649-V657 WeakPolarHBondContact CA-O 3.4Å; C650-V657 HydrophobicContact CB-CB 4.11Å; C650-V657 PolarHBondContact N-O 3.22Å; C650-V657 PolarHBondContact O-N 2.64Å; C650-V657 VanDerWaalsContact O-N 3.08Å; L652-V657 HydrophobicContact CD1-CG2 3.68Å; V657-L659 HydrophobicContact CG1-CD2 3.6Å; V657-L659 HydrophobicContact CG1-CG 4.17Å; V657-L670 HydrophobicContact CG1-CD1 3.64Å
658	L	92.6	Very high	86.4	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121	175.4	178.9	65.8	0	0	0	110.9	F647 I671 K672 M687 Y695 L719	F647-L658 HydrophobicContact CB-CD1 4.3Å; F647-L658 HydrophobicContact CD1-CD1 4.44Å; L658-I671 HydrophobicContact CD2-CD1 3.8Å; L658-I671 HydrophobicContact CG-CD1 3.76Å; L658-I671 HydrophobicContact CG-CG1 4.29Å; L658-I671 PolarHBondContact O-N 3.15Å; L658-K672 HydrophobicContact CB-CB 4.44Å; L658-K672 PolarHBondContact N-O 3.25Å; L658-K672 PolarHBondContact O-N 3.07Å; L658-M687 HydrophobicContact CD1-CE 4.15Å; L658-Y695 HydrophobicContact CD2-CD1 3.73Å; L658-Y695 HydrophobicContact CD2-CE1 4.45Å; L658-Y695 HydrophobicContact CD2-CG 4.22Å; L658-L719 HydrophobicContact CD1-CD1 3.85Å; L658-L719 HydrophobicContact CD2-CB 4.19Å; L658-L719 HydrophobicContact CD2-CD1 3.94Å; L658-L719 HydrophobicContact CG-CD1 4.31Å
659	L	92.8	Very high	86	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.4	176.3	-45.9	-179.9	0	0	0	111	L594 I631 F647 L648 V657 F668 M669 L670	L594-L659 HydrophobicContact CD2-CD1 3.6Å; I631-L659 HydrophobicContact CG2-CD1 4.45Å; F647-L659 WeakPolarHBondContact CA-O 3.33Å; L648-L659 HydrophobicContact CB-CB 4.47Å; L648-L659 HydrophobicContact CD2-CD1 4.31Å; L648-L659 PolarHBondContact N-O 3.46Å; L648-L659 PolarHBondContact O-N 3.08Å; V657-L659 HydrophobicContact CG1-CD2 3.6Å; V657-L659 HydrophobicContact CG1-CG 4.17Å; L659-F668 HydrophobicContact CB-CB 3.97Å; L659-F668 HydrophobicContact CB-CD1 3.97Å; L659-F668 HydrophobicContact CB-CG 4.38Å; L659-F668 HydrophobicContact CD1-CB 3.91Å; L659-M669 CarbonylContact C-O 3.57Å; L659-M669 VanDerWaalsContact CA-O 3.25Å; L659-M669 WeakPolarHBondContact CA-O 3.32Å; L659-L670 HydrophobicContact CD2-CB 4.06Å; L659-L670 HydrophobicContact CD2-CD1 3.86Å
660	Q	91.5	Very high	85.6	Confident	38 Å²	38	36.1 Å²	36.1	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.3	170.3	-165	168.6	10.2	0	0	110.8	L646 F647 Y662 F668 M669 I671	L646-Q660 HydrophobicContact CD1-CG 3.95Å; L646-Q660 HydrophobicContact CG-CG 4.15Å; L646-Q660 CarbonylContact O-C 3.27Å; L646-Q660 WeakPolarHBondContact O-CA 3.5Å; F647-Q660 HydrophobicContact CD1-CB 4.24Å; F647-Q660 HydrophobicContact CD1-CG 4.04Å; F647-Q660 HydrophobicContact CE1-CB 4.33Å; F647-Q660 HydrophobicContact CE1-CG 3.86Å; Q660-Y662 PolarHBondContact O-N 2.83Å; Q660-F668 CarbonylContact O-C 3.02Å; Q660-F668 WeakPolarHBondContact O-CA 3.48Å; Q660-M669 PolarHBondContact N-O 2.92Å; Q660-M669 PolarHBondContact O-N 3.35Å; Q660-I671 HydrophobicContact CB-CD1 3.64Å; Q660-I671 HydrophobicContact CB-CG1 3.79Å; Q660-I671 HydrophobicContact CG-CD1 4.47Å
661	W	88.3	Confident	85.2	Confident	16 Å²	16	38 Å²	38	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.8	169.5	179.7	-111	0	0	0	110.3	I580 N581 V583 L646 E663 H666 F668	I580-W661 HydrophobicContact CD1-CB 4.27Å; I580-W661 HydrophobicContact CD1-CD2 3.73Å; I580-W661 HydrophobicContact CD1-CE3 4.36Å; I580-W661 HydrophobicContact CD1-CG 3.67Å; I580-W661 HydrophobicContact CG1-CD2 4.2Å; I580-W661 HydrophobicContact CG1-CZ2 4.16Å; I580-W661 HydrophobicContact CG2-CD2 4.15Å; I580-W661 HydrophobicContact CG2-CE3 3.71Å; I580-W661 HydrophobicContact CG2-CH2 3.85Å; I580-W661 HydrophobicContact CG2-CZ2 4.27Å; I580-W661 HydrophobicContact CG2-CZ3 3.55Å; N581-W661 HydrophobicContact CB-CZ2 4.38Å; V583-W661 HydrophobicContact CB-CH2 4.02Å; V583-W661 HydrophobicContact CB-CZ3 4.17Å; V583-W661 HydrophobicContact CG1-CZ3 4.41Å; V583-W661 HydrophobicContact CG2-CH2 3.88Å; V583-W661 HydrophobicContact CG2-CZ3 4.31Å; L646-W661 HydrophobicContact CD1-CB 4.41Å; L646-W661 PolarHBondContact O-N 3.49Å; W661-E663 WeakPolarHBondContact CZ2-OE1 3.41Å; W661-E663 PolarHBondContact NE1-OE1 2.98Å; W661-E663 PolarHBondContact NE1-OE2 3Å; W661-H666 VanDerWaalsContact CH2-CA 3.5Å; W661-H666 HydrophobicContact CH2-CB 3.8Å; W661-H666 VanDerWaalsContact CH2-O 3.3Å; W661-H666 WeakPolarHBondContact CH2-O 3.27Å; W661-H666 HydrophobicContact CZ2-CB 4.02Å; W661-H666 WeakPolarHBondContact CZ3-O 3.49Å; W661-F668 HydrophobicContact CB-CD1 4.22Å; W661-F668 HydrophobicContact CB-CE1 3.78Å; W661-F668 HydrophobicContact CB-CZ 4.09Å; W661-F668 AromaticContact CE3-CD2 3.78Å; W661-F668 HydrophobicContact CE3-CD2 3.78Å; W661-F668 AromaticContact CE3-CE2 3.76Å; W661-F668 HydrophobicContact CE3-CE2 3.76Å; W661-F668 HydrophobicContact CE3-CG 4.26Å; W661-F668 HydrophobicContact CE3-CZ 4.2Å; W661-F668 HydrophobicContact CZ3-CD2 4.24Å; W661-F668 HydrophobicContact CZ3-CE2 4.33Å
662	Y	80.9	Confident	84.9	Confident	25 Å²	25	40 Å²	40	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	92.2	176.6	-173.1	-117.6	0	0	0	109.5	P229 Q660 P664 M665 H666 K667 M669	P229-Y662 HydrophobicContact CG-CD1 4.38Å; P229-Y662 HydrophobicContact CG-CE1 3.9Å; P229-Y662 HydrophobicContact CG-CE2 4.06Å; Q660-Y662 PolarHBondContact O-N 2.83Å; Y662-P664 VanDerWaalsContact C-CD 3.42Å; Y662-P664 HydrophobicContact CE1-CB 3.98Å; Y662-P664 HydrophobicContact CE1-CG 4.2Å; Y662-P664 HydrophobicContact CE2-CG 4Å; Y662-M665 HydrophobicContact CD1-CB 3.9Å; Y662-M665 HydrophobicContact CD1-CG 3.8Å; Y662-M665 HydrophobicContact CD1-SD 3.65Å; Y662-M665 HydrophobicContact CE1-CB 4.39Å; Y662-M665 HydrophobicContact CE1-CG 3.8Å; Y662-M665 HydrophobicContact CE1-SD 3.61Å; Y662-M665 PolarHBondContact O-N 3.27Å; Y662-M665 VanDerWaalsContact O-N 3.07Å; Y662-H666 PolarHBondContact O-N 3.11Å; Y662-H666 VanDerWaalsContact O-N 3.14Å; Y662-K667 PolarHBondContact N-O 3.22Å; Y662-K667 PolarHBondContact O-N 3.12Å; Y662-M669 HydrophobicContact CG-CG 4.38Å
663	E	76.8	Confident	84.7	Confident	80 Å²	80	43.7 Å²	43.7	37%	0.374	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-50.4	-42.1	-174.7	-163.3	68	-101	0	0	114.3	N581 W661 M665 H666	N581-E663 PolarHBondContact ND2-OE1 3.21Å; N581-E663 PolarHBondContact ND2-OE2 3.5Å; W661-E663 WeakPolarHBondContact CZ2-OE1 3.41Å; W661-E663 PolarHBondContact NE1-OE1 2.98Å; W661-E663 PolarHBondContact NE1-OE2 3Å; E663-M665 PolarHBondContact O-N 3.42Å; E663-H666 PolarHBondContact O-N 2.87Å; E663-H666 PolarHBondContact O-ND1 2.65Å; E663-H666 IonicContact OE1-CE1 2.85Å; E663-H666 PolarHBondContact OE1-CE1 2.89Å; E663-H666 IonicContact OE1-CG 3.21Å; E663-H666 IonicContact OE1-ND1 2.71Å; E663-H666 PolarHBondContact OE1-ND1 3.29Å
664	P	69.1	Low	84.7	Confident	74 Å²	74	39.6 Å²	39.6	48%	0.481	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-64.4	-10.1	-179.6	-22.9	35.4	0	0	0	115.6	Y662	Y662-P664 VanDerWaalsContact C-CD 3.42Å; Y662-P664 HydrophobicContact CE1-CB 3.98Å; Y662-P664 HydrophobicContact CE1-CG 4.2Å; Y662-P664 HydrophobicContact CE2-CG 4Å
665	M	64.8	Low	84.6	Confident	30 Å²	30	41.9 Å²	41.9	15%	0.148	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-120.9	1.9	172.1	-68.6	168	50.6	0	0	112.6	Y186 F225 Y662 E663 K667 M669	Y186-M665 HydrophobicContact CE2-SD 3.88Å; F225-M665 HydrophobicContact CD1-CE 4.32Å; F225-M665 HydrophobicContact CD2-CE 3.91Å; F225-M665 HydrophobicContact CD2-SD 4.34Å; F225-M665 HydrophobicContact CE1-CE 4.02Å; F225-M665 HydrophobicContact CE2-CE 3.57Å; F225-M665 HydrophobicContact CE2-CG 4.37Å; F225-M665 HydrophobicContact CE2-SD 3.75Å; F225-M665 HydrophobicContact CG-CE 4.28Å; F225-M665 HydrophobicContact CZ-CE 3.63Å; F225-M665 HydrophobicContact CZ-CG 4.36Å; F225-M665 HydrophobicContact CZ-SD 4.17Å; Y662-M665 HydrophobicContact CD1-CB 3.9Å; Y662-M665 HydrophobicContact CD1-CG 3.8Å; Y662-M665 HydrophobicContact CD1-SD 3.65Å; Y662-M665 HydrophobicContact CE1-CB 4.39Å; Y662-M665 HydrophobicContact CE1-CG 3.8Å; Y662-M665 HydrophobicContact CE1-SD 3.61Å; Y662-M665 PolarHBondContact O-N 3.27Å; Y662-M665 VanDerWaalsContact O-N 3.07Å; E663-M665 PolarHBondContact O-N 3.42Å; M665-K667 VanDerWaalsContact C-N 3.25Å; M665-K667 HydrophobicContact CB-CB 4.44Å; M665-K667 HydrophobicContact CE-CD 4.41Å; M665-K667 WeakPolarHBondContact O-CG 3.46Å; M665-K667 PolarHBondContact O-N 3.5Å; M665-M669 HydrophobicContact CE-CE 4.2Å; M665-M669 HydrophobicContact CE-SD 3.91Å
666	H	78.7	Confident	84.1	Confident	107 Å²	107	42.9 Å²	42.9	50%	0.495	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	42	47.8	-169.3	-58.2	-55	0	0	0	113.3	V583 W661 Y662 E663	V583-H666 HydrophobicContact CG2-CB 4.43Å; V583-H666 WeakPolarHBondContact CG2-O 3.39Å; W661-H666 VanDerWaalsContact CH2-CA 3.5Å; W661-H666 HydrophobicContact CH2-CB 3.8Å; W661-H666 VanDerWaalsContact CH2-O 3.3Å; W661-H666 WeakPolarHBondContact CH2-O 3.27Å; W661-H666 HydrophobicContact CZ2-CB 4.02Å; W661-H666 WeakPolarHBondContact CZ3-O 3.49Å; Y662-H666 PolarHBondContact O-N 3.11Å; Y662-H666 VanDerWaalsContact O-N 3.14Å; E663-H666 PolarHBondContact O-N 2.87Å; E663-H666 PolarHBondContact O-ND1 2.65Å; E663-H666 IonicContact OE1-CE1 2.85Å; E663-H666 PolarHBondContact OE1-CE1 2.89Å; E663-H666 IonicContact OE1-CG 3.21Å; E663-H666 IonicContact OE1-ND1 2.71Å; E663-H666 PolarHBondContact OE1-ND1 3.29Å
667	K	83.4	Confident	83.4	Confident	85 Å²	85	47.7 Å²	47.7	37%	0.37	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.1	-174.8	-79.8	169.9	-172.5	176.4	0	112.5	Y662 M665 M669	Y662-K667 PolarHBondContact N-O 3.22Å; Y662-K667 PolarHBondContact O-N 3.12Å; M665-K667 VanDerWaalsContact C-N 3.25Å; M665-K667 HydrophobicContact CB-CB 4.44Å; M665-K667 HydrophobicContact CE-CD 4.41Å; M665-K667 WeakPolarHBondContact O-CG 3.46Å; M665-K667 PolarHBondContact O-N 3.5Å; K667-M669 HydrophobicContact CB-SD 4.27Å
668	F	87.8	Confident	82.9	Confident	11 Å²	11	48 Å²	48	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.1	164.4	-83.5	-76.3	0	0	0	110.1	Y578 I580 M585 L648 L659 Q660 W661	Y578-F668 HydrophobicContact CE1-CE2 4.31Å; Y578-F668 HydrophobicContact CE1-CZ 4.13Å; I580-F668 HydrophobicContact CG2-CE2 3.71Å; I580-F668 HydrophobicContact CG2-CZ 4.28Å; M585-F668 HydrophobicContact CE-CB 4.48Å; M585-F668 HydrophobicContact CE-CD2 4.15Å; M585-F668 HydrophobicContact CG-CD2 3.66Å; M585-F668 HydrophobicContact CG-CE2 3.71Å; M585-F668 HydrophobicContact SD-CD2 3.73Å; M585-F668 HydrophobicContact SD-CE2 4.37Å; L648-F668 HydrophobicContact CB-CD1 3.73Å; L648-F668 HydrophobicContact CB-CE1 3.48Å; L648-F668 VanDerWaalsContact CB-CE1 3.48Å; L648-F668 HydrophobicContact CB-CG 4.37Å; L648-F668 HydrophobicContact CB-CZ 3.91Å; L648-F668 HydrophobicContact CD1-CD1 4.4Å; L648-F668 HydrophobicContact CD1-CD2 4Å; L648-F668 HydrophobicContact CD1-CE1 4.32Å; L648-F668 HydrophobicContact CD1-CE2 3.88Å; L648-F668 HydrophobicContact CD1-CG 4.26Å; L648-F668 HydrophobicContact CD1-CZ 4.05Å; L659-F668 HydrophobicContact CB-CB 3.97Å; L659-F668 HydrophobicContact CB-CD1 3.97Å; L659-F668 HydrophobicContact CB-CG 4.38Å; L659-F668 HydrophobicContact CD1-CB 3.91Å; Q660-F668 CarbonylContact O-C 3.02Å; Q660-F668 WeakPolarHBondContact O-CA 3.48Å; W661-F668 HydrophobicContact CB-CD1 4.22Å; W661-F668 HydrophobicContact CB-CE1 3.78Å; W661-F668 HydrophobicContact CB-CZ 4.09Å; W661-F668 AromaticContact CE3-CD2 3.78Å; W661-F668 HydrophobicContact CE3-CD2 3.78Å; W661-F668 AromaticContact CE3-CE2 3.76Å; W661-F668 HydrophobicContact CE3-CE2 3.76Å; W661-F668 HydrophobicContact CE3-CG 4.26Å; W661-F668 HydrophobicContact CE3-CZ 4.2Å; W661-F668 HydrophobicContact CZ3-CD2 4.24Å; W661-F668 HydrophobicContact CZ3-CE2 4.33Å
669	M	84.5	Confident	82.4	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.5	-178.1	-61.3	-60.4	-65.7	0	0	110.7	L659 Q660 Y662 M665 K667 I671	L659-M669 CarbonylContact C-O 3.57Å; L659-M669 VanDerWaalsContact CA-O 3.25Å; L659-M669 WeakPolarHBondContact CA-O 3.32Å; Q660-M669 PolarHBondContact N-O 2.92Å; Q660-M669 PolarHBondContact O-N 3.35Å; Y662-M669 HydrophobicContact CG-CG 4.38Å; M665-M669 HydrophobicContact CE-CE 4.2Å; M665-M669 HydrophobicContact CE-SD 3.91Å; K667-M669 HydrophobicContact CB-SD 4.27Å; M669-I671 PolarHBondContact O-N 2.87Å
670	L	88.2	Confident	81.8	Confident	76 Å²	76	55.6 Å²	55.6	40%	0.398	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.1	179.9	178.2	62.2	0	0	0	112	V657 L659	V657-L670 HydrophobicContact CG1-CD1 3.64Å; L659-L670 HydrophobicContact CD2-CB 4.06Å; L659-L670 HydrophobicContact CD2-CD1 3.86Å
671	I	86.4	Confident	81.4	Confident	39 Å²	39	58 Å²	58	20%	0.2	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-55	172.5	-29.5	176.3	0	0	0	110.8	F647 L658 Q660 M669 Y695	F647-I671 HydrophobicContact CD1-CD1 3.85Å; F647-I671 HydrophobicContact CE1-CD1 3.81Å; L658-I671 HydrophobicContact CD2-CD1 3.8Å; L658-I671 HydrophobicContact CG-CD1 3.76Å; L658-I671 HydrophobicContact CG-CG1 4.29Å; L658-I671 PolarHBondContact O-N 3.15Å; Q660-I671 HydrophobicContact CB-CD1 3.64Å; Q660-I671 HydrophobicContact CB-CG1 3.79Å; Q660-I671 HydrophobicContact CG-CD1 4.47Å; M669-I671 PolarHBondContact O-N 2.87Å; I671-Y695 HydrophobicContact CD1-CD1 4.02Å; I671-Y695 HydrophobicContact CD1-CE1 3.75Å; I671-Y695 HydrophobicContact CG2-CE1 3.88Å
672	K	85.3	Confident	81.3	Confident	42 Å²	42	59.1 Å²	59.1	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.9	-169.2	-60.4	-174	-173.2	-178.7	0	110.1	L658 F674 Y695 L719	L658-K672 HydrophobicContact CB-CB 4.44Å; L658-K672 PolarHBondContact N-O 3.25Å; L658-K672 PolarHBondContact O-N 3.07Å; K672-F674 HydrophobicContact CB-CD2 4.07Å; K672-F674 HydrophobicContact CB-CE2 3.46Å; K672-F674 VanDerWaalsContact CB-CE2 3.46Å; K672-F674 HydrophobicContact CB-CZ 4Å; K672-F674 HydrophobicContact CD-CE1 4.43Å; K672-F674 HydrophobicContact CD-CE2 3.7Å; K672-F674 HydrophobicContact CD-CZ 3.41Å; K672-F674 VanDerWaalsContact CD-CZ 3.41Å; K672-F674 HydrophobicContact CG-CE2 4.22Å; K672-F674 HydrophobicContact CG-CZ 4.34Å; K672-Y695 VanDerWaalsContact NZ-CE2 3.34Å; K672-L719 PolarHBondContact NZ-O 3.45Å
673	H	86.8	Confident	81.6	Confident	89 Å²	89	63.1 Å²	63.1	41%	0.412	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134	168.5	172.8	-119.4	0	0	0	107	S655 D675	S655-H673 WeakPolarHBondContact CB-NE2 3.33Å; S655-H673 PolarHBondContact OG-NE2 3.08Å; H673-D675 IonicContact CE1-OD1 2.69Å; H673-D675 PolarHBondContact CE1-OD1 2.91Å; H673-D675 VanDerWaalsContact CE1-OD1 3.26Å; H673-D675 IonicContact NE2-OD1 2.78Å
674	F	84.3	Confident	82.2	Confident	21 Å²	21	59.6 Å²	59.6	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	108.2	-172.9	-69.1	-89.4	0	0	0	109.4	S655 V656 K672 F676 L719	S655-F674 CarbonylContact C-O 3.45Å; S655-F674 WeakPolarHBondContact CA-O 3.4Å; S655-F674 WeakPolarHBondContact CB-O 3.43Å; V656-F674 PolarHBondContact N-O 3.47Å; V656-F674 PolarHBondContact O-N 3.16Å; K672-F674 HydrophobicContact CB-CD2 4.07Å; K672-F674 HydrophobicContact CB-CE2 3.46Å; K672-F674 VanDerWaalsContact CB-CE2 3.46Å; K672-F674 HydrophobicContact CB-CZ 4Å; K672-F674 HydrophobicContact CD-CE1 4.43Å; K672-F674 HydrophobicContact CD-CE2 3.7Å; K672-F674 HydrophobicContact CD-CZ 3.41Å; K672-F674 VanDerWaalsContact CD-CZ 3.41Å; K672-F674 HydrophobicContact CG-CE2 4.22Å; K672-F674 HydrophobicContact CG-CZ 4.34Å; F674-F676 PolarHBondContact O-N 2.94Å; F674-L719 HydrophobicContact CD2-CD2 3.74Å; F674-L719 HydrophobicContact CE2-CB 4.1Å; F674-L719 HydrophobicContact CE2-CD2 3.48Å; F674-L719 VanDerWaalsContact CE2-CD2 3.48Å; F674-L719 HydrophobicContact CE2-CG 4.35Å; F674-L719 HydrophobicContact CG-CD2 4.45Å; F674-L719 HydrophobicContact CZ-CB 4.09Å; F674-L719 HydrophobicContact CZ-CD2 4.01Å; F674-L719 WeakPolarHBondContact CZ-O 3.25Å
675	D	83	Confident	83.3	Confident	121 Å²	121	56.5 Å²	56.5	65%	0.647	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	115.6	170.4	-66.9	-47.9	0	0	0	109.9	H673	H673-D675 IonicContact CE1-OD1 2.69Å; H673-D675 PolarHBondContact CE1-OD1 2.91Å; H673-D675 VanDerWaalsContact CE1-OD1 3.26Å; H673-D675 IonicContact NE2-OD1 2.78Å
676	F	76.4	Confident	84.7	Confident	29 Å²	29	57.6 Å²	57.6	13%	0.127	30%	0.303	C	S	.	.			trans	-162.5	121.9	-175.6	-178.5	-94.2	0	0	0	109.7	S654 S655 F674 L678 I700 I717 F727	S654-F676 CarbonylContact C-O 3.58Å; S654-F676 CarbonylContact O-C 3.55Å; S654-F676 VanDerWaalsContact O-C 3.32Å; S654-F676 PolarHBondContact O-N 3.37Å; S654-F676 VanDerWaalsContact O-O 3.09Å; S655-F676 PolarHBondContact N-O 2.6Å; F674-F676 PolarHBondContact O-N 2.94Å; F676-L678 HydrophobicContact CD1-CD2 4Å; F676-L678 HydrophobicContact CE1-CD2 4.2Å; F676-L678 PolarHBondContact O-N 3.11Å; F676-I700 HydrophobicContact CE1-CD1 3.74Å; F676-I700 HydrophobicContact CZ-CD1 4.02Å; F676-I717 HydrophobicContact CD1-CD1 3.71Å; F676-I717 HydrophobicContact CD1-CG1 4.37Å; F676-I717 HydrophobicContact CE1-CD1 3.95Å; F676-I717 HydrophobicContact CE1-CG1 4.25Å; F676-I717 HydrophobicContact CG-CD1 4.37Å; F676-F727 HydrophobicContact CE2-CD2 4.21Å; F676-F727 HydrophobicContact CE2-CE2 4.45Å; F676-F727 AromaticContact CZ-CD2 3.95Å; F676-F727 HydrophobicContact CZ-CD2 3.95Å; F676-F727 HydrophobicContact CZ-CE2 4.03Å
677	P	77.3	Confident	85.3	Confident	101 Å²	101	53.2 Å²	53.2	66%	0.656	28%	0.283	S	S	*	.			trans	-70	114.2	176.4	29.1	-32.9	0	0	0	110
678	L	82.8	Confident	85.7	Confident	13 Å²	13	49.2 Å²	49.2	7%	0.068	27%	0.266	C	S	.	.			trans	-73.4	150.1	178	-74.8	178.1	0	0	0	111.7	A651 L652 V656 F676 L682 F685 I700 I717	A651-L678 HydrophobicContact CB-CD1 3.48Å; A651-L678 VanDerWaalsContact CB-CD1 3.48Å; L652-L678 WeakPolarHBondContact O-CD1 3.49Å; V656-L678 HydrophobicContact CG2-CD1 4.07Å; V656-L678 HydrophobicContact CG2-CD2 3.93Å; V656-L678 HydrophobicContact CG2-CG 4.17Å; F676-L678 HydrophobicContact CD1-CD2 4Å; F676-L678 HydrophobicContact CE1-CD2 4.2Å; F676-L678 PolarHBondContact O-N 3.11Å; L678-L682 HydrophobicContact CB-CD1 4.43Å; L678-L682 HydrophobicContact CD1-CD2 4.03Å; L678-L682 HydrophobicContact CD2-CD1 4.47Å; L678-F685 HydrophobicContact CD1-CE2 4.19Å; L678-F685 HydrophobicContact CD2-CE2 4.44Å; L678-I700 HydrophobicContact CD2-CG2 3.94Å; L678-I717 HydrophobicContact CD2-CD1 3.8Å
679	P	82.4	Confident	85.8	Confident	50 Å²	50	51 Å²	51	33%	0.325	28%	0.277	S	S	.	.			trans	-50.4	144.6	171.5	-28.1	35	0	0	0	113	P681 L682 I700	P679-P681 CarbonylContact O-C 3.57Å; P679-L682 HydrophobicContact CB-CD1 4.45Å; P679-L682 HydrophobicContact CG-CD1 4.47Å; P679-L682 WeakPolarHBondContact O-CA 3.36Å; P679-L682 WeakPolarHBondContact O-CB 3.46Å; P679-L682 PolarHBondContact O-N 3.17Å; P679-L682 VanDerWaalsContact O-N 3.15Å; P679-I700 HydrophobicContact CG-CD1 4.23Å
680	S	79.3	Confident	85.9	Confident	111 Å²	111	51 Å²	51	78%	0.776	28%	0.278	S	S	*	.	S	Bend	trans	-135.6	104.9	179.1	178.3	0	0	0	0	109.6
681	P	83.3	Confident	85.5	Confident	87 Å²	87	51.6 Å²	51.6	57%	0.565	29%	0.286	S	S	*	.	S	Bend	cis	-74.3	141.5	6.7	30	-35.3	0	0	0	113.9	P679 R683	P679-P681 CarbonylContact O-C 3.57Å; P681-R683 PolarHBondContact O-N 3.49Å; P681-R683 VanDerWaalsContact O-N 3.1Å
682	L	86.1	Confident	85	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.209	32%	0.319	C	S	.	.			trans	-78	90.8	171.4	-174.4	64.3	0	0	0	109	T639 A651 L678 P679 V684 F685 I700	T639-L682 HydrophobicContact CG2-CD2 4.07Å; A651-L682 HydrophobicContact CB-CD2 3.84Å; L678-L682 HydrophobicContact CB-CD1 4.43Å; L678-L682 HydrophobicContact CD1-CD2 4.03Å; L678-L682 HydrophobicContact CD2-CD1 4.47Å; P679-L682 HydrophobicContact CB-CD1 4.45Å; P679-L682 HydrophobicContact CG-CD1 4.47Å; P679-L682 WeakPolarHBondContact O-CA 3.36Å; P679-L682 WeakPolarHBondContact O-CB 3.46Å; P679-L682 PolarHBondContact O-N 3.17Å; P679-L682 VanDerWaalsContact O-N 3.15Å; L682-V684 VanDerWaalsContact CD1-O 3.27Å; L682-V684 WeakPolarHBondContact CD1-O 2.99Å; L682-F685 HydrophobicContact CD1-CD2 4.42Å; L682-F685 HydrophobicContact CD2-CB 4.01Å; L682-F685 HydrophobicContact CD2-CD2 3.98Å; L682-F685 HydrophobicContact CD2-CG 4.23Å; L682-F685 HydrophobicContact CG-CB 4.27Å; L682-I700 HydrophobicContact CD1-CB 4.49Å
683	R	86.9	Confident	84.8	Confident	110 Å²	110	59.7 Å²	59.7	42%	0.415	33%	0.329	S	S	.	.			trans	-72.3	-36.3	-177.9	-69.1	-67.1	-170.9	-164.6	1.3	113	P681 D737	P681-R683 PolarHBondContact O-N 3.49Å; P681-R683 VanDerWaalsContact O-N 3.1Å; R683-D737 IonicContact CZ-OD1 3.27Å; R683-D737 IonicContact NE-OD1 3.56Å; R683-D737 PolarHBondContact NH1-O 3.44Å; R683-D737 IonicContact NH2-OD1 2.77Å; R683-D737 PolarHBondContact NH2-OD1 2.94Å
684	V	90	Very high	84.6	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.036	34%	0.339	C	S	.	.			trans	-128.5	141.2	-179.8	-173.9	0	0	0	0	109.3	L682 E686 C699 I700 V702 V739 V741	L682-V684 VanDerWaalsContact CD1-O 3.27Å; L682-V684 WeakPolarHBondContact CD1-O 2.99Å; V684-E686 HydrophobicContact CG1-CB 4.33Å; V684-E686 HydrophobicContact CG1-CG 3.94Å; V684-C699 HydrophobicContact CG1-CB 4.44Å; V684-I700 WeakPolarHBondContact O-CA 3.28Å; V684-V702 HydrophobicContact CG2-CG2 4.43Å; V684-V739 HydrophobicContact CG2-CB 3.69Å; V684-V739 HydrophobicContact CG2-CG1 3.38Å; V684-V741 HydrophobicContact CG1-CB 4.38Å; V684-V741 HydrophobicContact CG1-CG2 4.06Å
685	F	92.5	Very high	84.8	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.035	34%	0.34	C	S	.	.			trans	-153.2	85.4	167.6	-169.9	-95	0	0	0	108	T639 A641 C649 A651 V656 L678 L682 V698 C699 I700	T639-F685 HydrophobicContact CG2-CB 3.7Å; T639-F685 HydrophobicContact CG2-CD1 3.8Å; T639-F685 HydrophobicContact CG2-CG 3.84Å; A641-F685 HydrophobicContact CB-CD1 3.85Å; A641-F685 HydrophobicContact CB-CE1 4.04Å; A641-F685 WeakPolarHBondContact CB-O 3.43Å; C649-F685 HydrophobicContact CB-CE1 4.34Å; C649-F685 HydrophobicContact CB-CZ 4.43Å; A651-F685 HydrophobicContact CB-CD1 4.28Å; A651-F685 HydrophobicContact CB-CD2 3.93Å; A651-F685 HydrophobicContact CB-CE1 4.07Å; A651-F685 HydrophobicContact CB-CE2 3.7Å; A651-F685 HydrophobicContact CB-CG 4.21Å; A651-F685 HydrophobicContact CB-CZ 3.77Å; V656-F685 HydrophobicContact CG1-CZ 4.38Å; V656-F685 HydrophobicContact CG2-CE2 4.34Å; L678-F685 HydrophobicContact CD1-CE2 4.19Å; L678-F685 HydrophobicContact CD2-CE2 4.44Å; L682-F685 HydrophobicContact CD1-CD2 4.42Å; L682-F685 HydrophobicContact CD2-CB 4.01Å; L682-F685 HydrophobicContact CD2-CD2 3.98Å; L682-F685 HydrophobicContact CD2-CG 4.23Å; L682-F685 HydrophobicContact CG-CB 4.27Å; F685-V698 HydrophobicContact CD2-CG1 3.87Å; F685-V698 HydrophobicContact CE1-CG1 4.3Å; F685-V698 HydrophobicContact CE2-CG1 3.62Å; F685-V698 HydrophobicContact CG-CG1 4.32Å; F685-V698 HydrophobicContact CZ-CG1 3.86Å; F685-C699 WeakPolarHBondContact CA-O 3.17Å; F685-I700 HydrophobicContact CD2-CG2 4.17Å; F685-I700 HydrophobicContact CE2-CG2 4.46Å
686	E	92.7	Very high	85.1	Confident	53 Å²	53	56.6 Å²	56.6	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.1	-172	-60.1	-64.4	168.4	0	0	110	V684 C699 K825	V684-E686 HydrophobicContact CG1-CB 4.33Å; V684-E686 HydrophobicContact CG1-CG 3.94Å; E686-C699 PolarHBondContact N-O 3.17Å; E686-C699 VanDerWaalsContact N-O 3.13Å; E686-C699 PolarHBondContact O-N 2.88Å; E686-K825 IonicContact OE1-NZ 3.91Å; E686-K825 PolarHBondContact OE1-NZ 3.03Å
687	M	92.8	Very high	85.8	Confident	15 Å²	15	56 Å²	56	7%	0.074	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.4	-177.6	-74.6	178.5	80.9	0	0	111.3	A641 G643 F647 C649 L658 P696	A641-M687 VanDerWaalsContact C-SD 3.52Å; A641-M687 HydrophobicContact CB-CB 4.35Å; A641-M687 HydrophobicContact CB-CG 3.7Å; A641-M687 HydrophobicContact CB-SD 4.16Å; G643-M687 PolarHBondContact N-SD 3.22Å; G643-M687 VanDerWaalsContact N-SD 3.42Å; F647-M687 HydrophobicContact CB-CE 3.68Å; C649-M687 HydrophobicContact CB-CE 3.89Å; C649-M687 HydrophobicContact CB-CG 3.98Å; C649-M687 HydrophobicContact CB-SD 3.29Å; C649-M687 WeakPolarHBondContact CB-SD 3.34Å; L658-M687 HydrophobicContact CD1-CE 4.15Å; M687-P696 HydrophobicContact CE-CB 3.66Å; M687-P696 HydrophobicContact CE-CG 3.74Å
688	V	91.3	Very high	86.5	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128	174.9	176.4	0	0	0	0	108.2	P690 P696 M697 Y716 L749 L762	V688-P690 WeakPolarHBondContact O-CD 3.4Å; V688-P696 CarbonylContact O-C 3.56Å; V688-P696 WeakPolarHBondContact O-CA 3.44Å; V688-P696 WeakPolarHBondContact O-CB 3.49Å; V688-M697 PolarHBondContact N-O 2.85Å; V688-M697 PolarHBondContact O-N 2.79Å; V688-Y716 HydrophobicContact CB-CE1 4.14Å; V688-Y716 HydrophobicContact CG2-CE1 3.95Å; V688-L749 HydrophobicContact CG1-CD2 4.15Å; V688-L749 HydrophobicContact CG2-CD1 4.45Å; V688-L749 HydrophobicContact CG2-CD2 3.74Å; V688-L762 HydrophobicContact CG1-CD1 4.05Å; V688-L762 HydrophobicContact CG1-CD2 3.78Å; V688-L762 HydrophobicContact CG1-CG 4.41Å
689	V	89.9	Confident	86.9	Confident	48 Å²	48	50.6 Å²	50.6	29%	0.291	27%	0.273	S	S	.	.			trans	-107.1	103.2	-180	-171.6	0	0	0	0	109.3	P696 Q743	V689-P696 HydrophobicContact CG2-CB 4.19Å; V689-P696 HydrophobicContact CG2-CG 4.04Å; V689-Q743 PolarHBondContact O-NE2 3.43Å
690	P	86	Confident	87.3	Confident	11 Å²	11	48.4 Å²	48.4	7%	0.071	26%	0.259	C	S	.	.			trans	-80.8	141.9	175.7	-11.3	30.6	0	0	0	110.2	V688 L692 Q693 M697 L762	V688-P690 WeakPolarHBondContact O-CD 3.4Å; P690-L692 PolarHBondContact O-N 3.29Å; P690-Q693 HydrophobicContact CB-CB 4.4Å; P690-Q693 HydrophobicContact CB-CG 4.11Å; P690-Q693 HydrophobicContact CG-CB 4.35Å; P690-Q693 HydrophobicContact CG-CG 4.18Å; P690-Q693 PolarHBondContact O-N 3.11Å; P690-M697 HydrophobicContact CG-CE 4.11Å; P690-M697 HydrophobicContact CG-CG 4.3Å; P690-L762 HydrophobicContact CB-CD1 3.87Å; P690-L762 HydrophobicContact CG-CD1 4.04Å
691	P	79.4	Confident	87.7	Confident	87 Å²	87	43.4 Å²	43.4	57%	0.565	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.2	-172.9	27.6	-36.4	0	0	0	115.6	G746 N747	P691-G746 WeakPolarHBondContact CD-O 3.21Å; P691-N747 WeakPolarHBondContact CG-OD1 3.32Å
692	L	77.6	Confident	87.9	Confident	172 Å²	172	39.4 Å²	39.4	90%	0.901	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.1	13	-174	-62.4	175.4	0	0	0	113.8	P690	P690-L692 PolarHBondContact O-N 3.29Å
693	Q	80.5	Confident	88	Confident	80 Å²	80	38.1 Å²	38.1	37%	0.374	19%	0.193	S	C	.	.			trans	-113.9	150.8	178.9	-65.6	-173.6	19.1	0	0	111.7	P690 N720	P690-Q693 HydrophobicContact CB-CB 4.4Å; P690-Q693 HydrophobicContact CB-CG 4.11Å; P690-Q693 HydrophobicContact CG-CB 4.35Å; P690-Q693 HydrophobicContact CG-CG 4.18Å; P690-Q693 PolarHBondContact O-N 3.11Å; Q693-N720 PolarHBondContact OE1-ND2 3.47Å
694	E	82.6	Confident	87.9	Confident	135 Å²	135	38.1 Å²	38.1	63%	0.631	19%	0.193	S	C	*	.	S	Bend	trans	-72.3	-38.4	-179.4	-170.8	-170.2	163.7	0	0	111.5	N720	E694-N720 PolarHBondContact N-OD1 2.9Å
695	Y	87.4	Confident	87.4	Confident	30 Å²	30	39.8 Å²	39.8	12%	0.118	21%	0.205	C	C	.	.	S	Bend	trans	-122.3	147.9	178.2	-56	-74.8	0	0	0	111	F647 L658 I671 K672 N720	F647-Y695 HydrophobicContact CE1-CD1 4.05Å; F647-Y695 HydrophobicContact CE1-CE1 4.44Å; L658-Y695 HydrophobicContact CD2-CD1 3.73Å; L658-Y695 HydrophobicContact CD2-CE1 4.45Å; L658-Y695 HydrophobicContact CD2-CG 4.22Å; I671-Y695 HydrophobicContact CD1-CD1 4.02Å; I671-Y695 HydrophobicContact CD1-CE1 3.75Å; I671-Y695 HydrophobicContact CG2-CE1 3.88Å; K672-Y695 VanDerWaalsContact NZ-CE2 3.34Å; Y695-N720 PolarHBondContact N-OD1 3.26Å; Y695-N720 PolarHBondContact O-ND2 3Å
696	P	90.4	Very high	86.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.249	C	C	.	.			trans	-60.1	158.2	170.4	-25.1	36.9	0	0	0	113	F647 M687 V688 V689 L719	F647-P696 HydrophobicContact CB-CG 4.02Å; F647-P696 HydrophobicContact CD2-CG 3.47Å; F647-P696 VanDerWaalsContact CD2-CG 3.47Å; F647-P696 HydrophobicContact CE2-CG 4.07Å; F647-P696 HydrophobicContact CG-CG 3.86Å; M687-P696 HydrophobicContact CE-CB 3.66Å; M687-P696 HydrophobicContact CE-CG 3.74Å; V688-P696 CarbonylContact O-C 3.56Å; V688-P696 WeakPolarHBondContact O-CA 3.44Å; V688-P696 WeakPolarHBondContact O-CB 3.49Å; V689-P696 HydrophobicContact CG2-CB 4.19Å; V689-P696 HydrophobicContact CG2-CG 4.04Å; P696-L719 WeakPolarHBondContact O-CB 3.22Å; P696-L719 VanDerWaalsContact O-CD1 3.3Å; P696-L719 WeakPolarHBondContact O-CD1 3.34Å; P696-L719 WeakPolarHBondContact O-CG 3.32Å
697	M	90.6	Very high	85.5	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	152.7	166.7	-56.2	-167.3	-59.3	0	0	109.7	V688 P690 Y716	V688-M697 PolarHBondContact N-O 2.85Å; V688-M697 PolarHBondContact O-N 2.79Å; P690-M697 HydrophobicContact CG-CE 4.11Å; P690-M697 HydrophobicContact CG-CG 4.3Å; M697-Y716 HydrophobicContact CB-CD1 3.69Å; M697-Y716 HydrophobicContact CB-CE1 4.19Å; M697-Y716 HydrophobicContact CB-CG 4.28Å; M697-Y716 HydrophobicContact CE-CD1 4.11Å; M697-Y716 HydrophobicContact CE-CD2 4.2Å; M697-Y716 HydrophobicContact CE-CE1 3.94Å; M697-Y716 HydrophobicContact CE-CE2 4.03Å; M697-Y716 HydrophobicContact CE-CG 4.22Å; M697-Y716 HydrophobicContact SD-CG 4.44Å
698	V	91.7	Very high	84.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.2	177.4	-168	0	0	0	0	109.4	C649 F685 I700 Y716 I717 L719	C649-V698 HydrophobicContact CB-CG2 4.49Å; F685-V698 HydrophobicContact CD2-CG1 3.87Å; F685-V698 HydrophobicContact CE1-CG1 4.3Å; F685-V698 HydrophobicContact CE2-CG1 3.62Å; F685-V698 HydrophobicContact CG-CG1 4.32Å; F685-V698 HydrophobicContact CZ-CG1 3.86Å; V698-I700 HydrophobicContact CG1-CG2 4.16Å; V698-I700 PolarHBondContact O-N 3.25Å; V698-Y716 CarbonylContact O-C 3.58Å; V698-Y716 VanDerWaalsContact O-CA 3.28Å; V698-Y716 WeakPolarHBondContact O-CA 3.5Å; V698-I717 HydrophobicContact CB-CB 4.31Å; V698-I717 PolarHBondContact N-O 3.37Å; V698-I717 PolarHBondContact O-N 2.93Å; V698-L719 HydrophobicContact CG2-CD1 3.6Å; V698-L719 HydrophobicContact CG2-CD2 4.26Å; V698-L719 HydrophobicContact CG2-CG 4.07Å
699	C	91.8	Very high	83.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.8	171.5	177.7	0	0	0	0	109.1	V684 F685 E686 V714 Y716	V684-C699 HydrophobicContact CG1-CB 4.44Å; F685-C699 WeakPolarHBondContact CA-O 3.17Å; E686-C699 PolarHBondContact N-O 3.17Å; E686-C699 VanDerWaalsContact N-O 3.13Å; E686-C699 PolarHBondContact O-N 2.88Å; C699-V714 HydrophobicContact CB-CG1 4.41Å; C699-Y716 HydrophobicContact CB-CD1 4.23Å; C699-Y716 HydrophobicContact CB-CE1 4.09Å
700	I	89.7	Confident	83.1	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-12.7	-178.3	57.3	163.5	0	0	0	113.7	F676 L678 P679 L682 V684 F685 V698 E715 I717 F727	F676-I700 HydrophobicContact CE1-CD1 3.74Å; F676-I700 HydrophobicContact CZ-CD1 4.02Å; L678-I700 HydrophobicContact CD2-CG2 3.94Å; P679-I700 HydrophobicContact CG-CD1 4.23Å; L682-I700 HydrophobicContact CD1-CB 4.49Å; V684-I700 WeakPolarHBondContact O-CA 3.28Å; F685-I700 HydrophobicContact CD2-CG2 4.17Å; F685-I700 HydrophobicContact CE2-CG2 4.46Å; V698-I700 HydrophobicContact CG1-CG2 4.16Å; V698-I700 PolarHBondContact O-N 3.25Å; I700-E715 VanDerWaalsContact CG1-O 3.31Å; I700-E715 WeakPolarHBondContact CG1-O 3.39Å; I700-E715 PolarHBondContact N-O 3.47Å; I700-I717 HydrophobicContact CD1-CD1 4.29Å; I700-I717 HydrophobicContact CD1-CG1 3.9Å; I700-I717 HydrophobicContact CG1-CG1 4.34Å; I700-I717 HydrophobicContact CG2-CD1 3.75Å; I700-I717 HydrophobicContact CG2-CG1 3.92Å; I700-F727 HydrophobicContact CD1-CE2 4.24Å; I700-F727 HydrophobicContact CD1-CZ 4.49Å
701	G	88.3	Confident	82.9	Confident	6 Å²	6	53.9 Å²	53.9	6%	0.062	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	153.3	-179.3	0	0	0	0	0	111.8	E715	G701-E715 PolarHBondContact N-O 3.12Å; G701-E715 PolarHBondContact O-N 3.15Å
702	V	88.1	Confident	83.3	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.4	173.4	-171	0	0	0	0	108.3	V684 V712 N713 P736 V739 V741 V751 M753	V684-V702 HydrophobicContact CG2-CG2 4.43Å; V702-V712 HydrophobicContact CG1-CG1 3.36Å; V702-N713 WeakPolarHBondContact CA-O 3.46Å; V702-P736 WeakPolarHBondContact O-CD 3.49Å; V702-V739 HydrophobicContact CB-CG1 3.89Å; V702-V739 HydrophobicContact CG2-CG1 3.9Å; V702-V741 HydrophobicContact CG2-CG2 3.61Å; V702-V751 HydrophobicContact CG1-CG1 4Å; V702-M753 HydrophobicContact CG1-CG 4.44Å; V702-M753 HydrophobicContact CG1-SD 3.91Å
703	S	87.6	Confident	83.8	Confident	13 Å²	13	43.9 Å²	43.9	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155	169.7	75.2	0	0	0	0	110.8	N713	S703-N713 PolarHBondContact N-O 2.77Å; S703-N713 PolarHBondContact O-N 3.34Å; S703-N713 PolarHBondContact OG-ND2 3.42Å; S703-N713 VanDerWaalsContact OG-ND2 3.07Å
704	R	85.2	Confident	84.2	Confident	109 Å²	109	40.9 Å²	40.9	41%	0.411	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	151.3	161	-67.8	-165.1	-176	103.8	4.4	109.5	M753 E754 S756	R704-M753 HydrophobicContact CG-CE 3.93Å; R704-M753 HydrophobicContact CG-SD 3.88Å; R704-E754 IonicContact CZ-OE2 3.67Å; R704-E754 VanDerWaalsContact NH1-CD 3.28Å; R704-E754 IonicContact NH1-OE1 2.76Å; R704-E754 PolarHBondContact NH1-OE1 2.98Å; R704-E754 IonicContact NH1-OE2 2.64Å; R704-E754 PolarHBondContact NH1-OE2 3.35Å; R704-E754 IonicContact NH2-OE2 2.66Å; R704-E754 PolarHBondContact NH2-OE2 3Å; R704-S756 PolarHBondContact NH2-OG 3.29Å
705	S	80.1	Confident	84.4	Confident	42 Å²	42	36.4 Å²	36.4	29%	0.294	22%	0.217	S	C	.	.			trans	-122.7	150.5	178.1	152.5	0	0	0	0	110	S707 T710 P711	S705-S707 PolarHBondContact O-N 2.97Å; S705-S707 PolarHBondContact OG-N 2.7Å; S705-T710 WeakPolarHBondContact CB-O 3.2Å; S705-T710 PolarHBondContact OG-O 3.28Å; S705-P711 PolarHBondContact N-O 3.13Å
706	C	70.3	Confident	84.5	Confident	142 Å²	142	37 Å²	37	96%	0.959	22%	0.219	S	C	*	.	S	Bend	trans	-81.4	-0.1	179.7	-56.3	0	0	0	0	113.3
707	S	74.7	Confident	84.3	Confident	37 Å²	37	37.3 Å²	37.3	26%	0.259	22%	0.221	S	C	.	.			trans	-90.1	130.8	179.7	178.7	0	0	0	0	111.4	S705 S709 T710	S705-S707 PolarHBondContact O-N 2.97Å; S705-S707 PolarHBondContact OG-N 2.7Å; S707-S709 VanDerWaalsContact C-N 3.28Å; S707-S709 PolarHBondContact O-N 3.38Å; S707-S709 PolarHBondContact OG-N 3.03Å; S707-S709 PolarHBondContact OG-OG 3.09Å; S707-S709 VanDerWaalsContact OG-OG 3.07Å; S707-T710 WeakPolarHBondContact CB-OG1 3.4Å; S707-T710 CarbonylContact O-C 3.54Å; S707-T710 PolarHBondContact O-N 2.91Å; S707-T710 VanDerWaalsContact O-O 3.12Å; S707-T710 PolarHBondContact OG-OG1 3.43Å; S707-T710 VanDerWaalsContact OG-OG1 3.12Å
708	P	69.6	Low	84.1	Confident	124 Å²	124	40 Å²	40	81%	0.805	24%	0.235	S	C	*	.	S	Bend	trans	-73.9	-14.4	176.6	30.4	-35.1	0	0	0	113.9
709	S	73.3	Confident	83.7	Confident	71 Å²	71	40 Å²	40	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	-86	-37.1	173	62.7	0	0	0	0	112.4	S707 P711 E765 L766	S707-S709 VanDerWaalsContact C-N 3.28Å; S707-S709 PolarHBondContact O-N 3.38Å; S707-S709 PolarHBondContact OG-N 3.03Å; S707-S709 PolarHBondContact OG-OG 3.09Å; S707-S709 VanDerWaalsContact OG-OG 3.07Å; S709-P711 WeakPolarHBondContact O-CD 3.21Å; S709-E765 VanDerWaalsContact O-CA 3.32Å; S709-E765 WeakPolarHBondContact O-CA 3.43Å; S709-L766 PolarHBondContact O-N 3.37Å
710	T	81.1	Confident	83.3	Confident	37 Å²	37	42.2 Å²	42.2	23%	0.227	25%	0.247	C	C	.	.			trans	-116.8	77.5	178.1	36.8	0	0	0	0	109.7	S705 S707 V712 G764 E765	S705-T710 WeakPolarHBondContact CB-O 3.2Å; S705-T710 PolarHBondContact OG-O 3.28Å; S707-T710 WeakPolarHBondContact CB-OG1 3.4Å; S707-T710 CarbonylContact O-C 3.54Å; S707-T710 PolarHBondContact O-N 2.91Å; S707-T710 VanDerWaalsContact O-O 3.12Å; S707-T710 PolarHBondContact OG-OG1 3.43Å; S707-T710 VanDerWaalsContact OG-OG1 3.12Å; T710-V712 PolarHBondContact O-N 2.88Å; T710-G764 WeakPolarHBondContact CA-O 3.4Å; T710-E765 HydrophobicContact CG2-CB 4.41Å; T710-E765 HydrophobicContact CG2-CG 3.4Å; T710-E765 VanDerWaalsContact CG2-CG 3.4Å
711	P	82	Confident	82.8	Confident	22 Å²	22	43.4 Å²	43.4	14%	0.143	26%	0.256	C	S	.	.			trans	-67.8	-22.3	179.1	28.3	-36.6	0	0	0	113.1	S705 S709 G764 L766	S705-P711 PolarHBondContact N-O 3.13Å; S709-P711 WeakPolarHBondContact O-CD 3.21Å; P711-G764 WeakPolarHBondContact CD-O 3.43Å; P711-L766 HydrophobicContact CG-CD1 4.06Å; P711-L766 HydrophobicContact CG-CD2 3.98Å; P711-L766 HydrophobicContact CG-CG 3.72Å
712	V	86.3	Confident	81.4	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.6	177.6	-171.6	0	0	0	0	109.3	V702 T710 V714 V751 M753 V760 G764	V702-V712 HydrophobicContact CG1-CG1 3.36Å; T710-V712 PolarHBondContact O-N 2.88Å; V712-V714 HydrophobicContact CG1-CG2 3.69Å; V712-V751 HydrophobicContact CG1-CG1 4.34Å; V712-M753 HydrophobicContact CG2-CE 3.91Å; V712-V760 HydrophobicContact CB-CG1 4.31Å; V712-V760 HydrophobicContact CG2-CG1 3.78Å; V712-V760 HydrophobicContact CG2-CG2 4.4Å; V712-G764 PolarHBondContact N-O 3.19Å; V712-G764 WeakPolarHBondContact O-CA 3.46Å
713	N	88.2	Confident	79.9	Confident	48 Å²	48	54.3 Å²	54.3	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.1	165.4	163.4	68.7	0	0	0	107.7	V702 S703 E715 K733	V702-N713 WeakPolarHBondContact CA-O 3.46Å; S703-N713 PolarHBondContact N-O 2.77Å; S703-N713 PolarHBondContact O-N 3.34Å; S703-N713 PolarHBondContact OG-ND2 3.42Å; S703-N713 VanDerWaalsContact OG-ND2 3.07Å; N713-E715 PolarHBondContact ND2-OE1 3.37Å; N713-K733 PolarHBondContact ND2-NZ 3.48Å
714	V	88.5	Confident	78.1	Confident	17 Å²	17	56 Å²	56	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125	-178.7	-170.6	0	0	0	0	109.6	C699 V712 Y716 L749	C699-V714 HydrophobicContact CB-CG1 4.41Å; V712-V714 HydrophobicContact CG1-CG2 3.69Å; V714-Y716 HydrophobicContact CB-CE2 3.85Å; V714-Y716 HydrophobicContact CG1-CD2 4.2Å; V714-Y716 HydrophobicContact CG1-CE1 3.99Å; V714-Y716 HydrophobicContact CG1-CE2 3.58Å; V714-Y716 VanDerWaalsContact CG1-CZ 3.47Å; V714-L749 HydrophobicContact CG1-CD1 4.48Å
715	E	88.2	Confident	76.3	Confident	41 Å²	41	60.7 Å²	60.7	19%	0.192	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.9	-173	-60.8	-170	164.4	0	0	110.4	I700 G701 N713 F727 K733	I700-E715 VanDerWaalsContact CG1-O 3.31Å; I700-E715 WeakPolarHBondContact CG1-O 3.39Å; I700-E715 PolarHBondContact N-O 3.47Å; G701-E715 PolarHBondContact N-O 3.12Å; G701-E715 PolarHBondContact O-N 3.15Å; N713-E715 PolarHBondContact ND2-OE1 3.37Å; E715-F727 HydrophobicContact CB-CE1 3.82Å; E715-F727 HydrophobicContact CB-CZ 4.01Å; E715-F727 HydrophobicContact CG-CE1 4.02Å; E715-K733 IonicContact OE1-NZ 3.75Å; E715-K733 PolarHBondContact OE1-NZ 3.38Å
716	Y	88.1	Confident	74.6	Confident	42 Å²	42	68.3 Å²	68.3	17%	0.165	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.8	-172.4	-67.4	-76.8	0	0	0	114.1	V688 M697 V698 C699 V714 L749 L762	V688-Y716 HydrophobicContact CB-CE1 4.14Å; V688-Y716 HydrophobicContact CG2-CE1 3.95Å; M697-Y716 HydrophobicContact CB-CD1 3.69Å; M697-Y716 HydrophobicContact CB-CE1 4.19Å; M697-Y716 HydrophobicContact CB-CG 4.28Å; M697-Y716 HydrophobicContact CE-CD1 4.11Å; M697-Y716 HydrophobicContact CE-CD2 4.2Å; M697-Y716 HydrophobicContact CE-CE1 3.94Å; M697-Y716 HydrophobicContact CE-CE2 4.03Å; M697-Y716 HydrophobicContact CE-CG 4.22Å; M697-Y716 HydrophobicContact SD-CG 4.44Å; V698-Y716 CarbonylContact O-C 3.58Å; V698-Y716 VanDerWaalsContact O-CA 3.28Å; V698-Y716 WeakPolarHBondContact O-CA 3.5Å; C699-Y716 HydrophobicContact CB-CD1 4.23Å; C699-Y716 HydrophobicContact CB-CE1 4.09Å; V714-Y716 HydrophobicContact CB-CE2 3.85Å; V714-Y716 HydrophobicContact CG1-CD2 4.2Å; V714-Y716 HydrophobicContact CG1-CE1 3.99Å; V714-Y716 HydrophobicContact CG1-CE2 3.58Å; V714-Y716 VanDerWaalsContact CG1-CZ 3.47Å; Y716-L749 WeakPolarHBondContact OH-CD1 3.39Å; Y716-L762 VanDerWaalsContact CE2-O 3.22Å; Y716-L762 WeakPolarHBondContact CE2-O 3.45Å; Y716-L762 PolarHBondContact OH-O 2.67Å
717	I	87	Confident	73.3	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.8	152.3	-54.2	176.7	0	0	0	107.9	V656 F676 L678 V698 I700 L719	V656-I717 HydrophobicContact CG2-CD1 3.8Å; F676-I717 HydrophobicContact CD1-CD1 3.71Å; F676-I717 HydrophobicContact CD1-CG1 4.37Å; F676-I717 HydrophobicContact CE1-CD1 3.95Å; F676-I717 HydrophobicContact CE1-CG1 4.25Å; F676-I717 HydrophobicContact CG-CD1 4.37Å; L678-I717 HydrophobicContact CD2-CD1 3.8Å; V698-I717 HydrophobicContact CB-CB 4.31Å; V698-I717 PolarHBondContact N-O 3.37Å; V698-I717 PolarHBondContact O-N 2.93Å; I700-I717 HydrophobicContact CD1-CD1 4.29Å; I700-I717 HydrophobicContact CD1-CG1 3.9Å; I700-I717 HydrophobicContact CG1-CG1 4.34Å; I700-I717 HydrophobicContact CG2-CD1 3.75Å; I700-I717 HydrophobicContact CG2-CG1 3.92Å; I717-L719 HydrophobicContact CG2-CD2 3.77Å; I717-L719 PolarHBondContact O-N 2.95Å
718	N	85.6	Confident	71.7	Confident	73 Å²	73	71.8 Å²	71.8	39%	0.39	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	99.6	176.5	-177.6	-6.6	0	0	0	110.8	N720 S721	N718-N720 PolarHBondContact O-N 3.36Å; N718-N720 VanDerWaalsContact O-N 3.16Å; N718-N720 VanDerWaalsContact OD1-CB 3.28Å; N718-N720 WeakPolarHBondContact OD1-CB 3.46Å; N718-N720 PolarHBondContact OD1-N 3.36Å; N718-N720 PolarHBondContact OD1-ND2 3.04Å; N718-S721 PolarHBondContact O-N 3.5Å; N718-S721 VanDerWaalsContact O-N 3.17Å
719	L	85.3	Confident	70.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4	-177	-52.2	174.4	0	0	0	113.9	L658 K672 F674 P696 V698 I717	L658-L719 HydrophobicContact CD1-CD1 3.85Å; L658-L719 HydrophobicContact CD2-CB 4.19Å; L658-L719 HydrophobicContact CD2-CD1 3.94Å; L658-L719 HydrophobicContact CG-CD1 4.31Å; K672-L719 PolarHBondContact NZ-O 3.45Å; F674-L719 HydrophobicContact CD2-CD2 3.74Å; F674-L719 HydrophobicContact CE2-CB 4.1Å; F674-L719 HydrophobicContact CE2-CD2 3.48Å; F674-L719 VanDerWaalsContact CE2-CD2 3.48Å; F674-L719 HydrophobicContact CE2-CG 4.35Å; F674-L719 HydrophobicContact CG-CD2 4.45Å; F674-L719 HydrophobicContact CZ-CB 4.09Å; F674-L719 HydrophobicContact CZ-CD2 4.01Å; F674-L719 WeakPolarHBondContact CZ-O 3.25Å; P696-L719 WeakPolarHBondContact O-CB 3.22Å; P696-L719 VanDerWaalsContact O-CD1 3.3Å; P696-L719 WeakPolarHBondContact O-CD1 3.34Å; P696-L719 WeakPolarHBondContact O-CG 3.32Å; V698-L719 HydrophobicContact CG2-CD1 3.6Å; V698-L719 HydrophobicContact CG2-CD2 4.26Å; V698-L719 HydrophobicContact CG2-CG 4.07Å; I717-L719 HydrophobicContact CG2-CD2 3.77Å; I717-L719 PolarHBondContact O-N 2.95Å
720	N	82.9	Confident	68.8	Low	46 Å²	46	69.6 Å²	69.6	25%	0.246	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.8	172.5	-56.2	-89.8	0	0	0	112	Q693 E694 Y695 N718	Q693-N720 PolarHBondContact OE1-ND2 3.47Å; E694-N720 PolarHBondContact N-OD1 2.9Å; Y695-N720 PolarHBondContact N-OD1 3.26Å; Y695-N720 PolarHBondContact O-ND2 3Å; N718-N720 PolarHBondContact O-N 3.36Å; N718-N720 VanDerWaalsContact O-N 3.16Å; N718-N720 VanDerWaalsContact OD1-CB 3.28Å; N718-N720 WeakPolarHBondContact OD1-CB 3.46Å; N718-N720 PolarHBondContact OD1-N 3.36Å; N718-N720 PolarHBondContact OD1-ND2 3.04Å
721	S	77.9	Confident	66.9	Low	29 Å²	29	75.4 Å²	75.4	20%	0.203	40%	0.404	C	S	.	.			trans	-77.6	148.2	177.9	-169.8	0	0	0	0	112	N718 T723	N718-S721 PolarHBondContact O-N 3.5Å; N718-S721 VanDerWaalsContact O-N 3.17Å; S721-T723 WeakPolarHBondContact CB-O 3.43Å; S721-T723 PolarHBondContact OG-N 2.75Å; S721-T723 PolarHBondContact OG-O 2.68Å; S721-T723 PolarHBondContact OG-OG1 2.86Å
722	N	59.7	Low	65.4	Low	155 Å²	155	83.9 Å²	83.9	83%	0.829	44%	0.441	S	S	*	.	S	Bend	trans	-91.2	-5.7	164.6	-68.7	-34.8	0	0	0	112.4
723	T	55.8	Low	64.1	Low	83 Å²	83	88.1 Å²	88.1	51%	0.509	46%	0.46	S	S	.	.	S	Bend	trans	-118.2	108	171.2	46.3	0	0	0	0	109.2	S721 W725	S721-T723 WeakPolarHBondContact CB-O 3.43Å; S721-T723 PolarHBondContact OG-N 2.75Å; S721-T723 PolarHBondContact OG-O 2.68Å; S721-T723 PolarHBondContact OG-OG1 2.86Å; T723-W725 VanDerWaalsContact C-N 3.34Å; T723-W725 PolarHBondContact O-N 2.95Å; T723-W725 PolarHBondContact OG1-NE1 3.35Å
724	S	50.4	Low	62.7	Low	49 Å²	49	91.6 Å²	91.6	34%	0.343	49%	0.485	S	S	.	.			trans	-64.3	97.6	161.3	-54.3	0	0	0	0	107.1	F726	S724-F726 PolarHBondContact O-N 3.4Å
725	W	47.4	Very low	61.5	Low	208 Å²	208	93.2 Å²	93.2	79%	0.788	50%	0.497	S	S	*	.			trans	-60.8	129	179.3	-71.1	-21.7	0	0	0	109.8	T723 F727	T723-W725 VanDerWaalsContact C-N 3.34Å; T723-W725 PolarHBondContact O-N 2.95Å; T723-W725 PolarHBondContact OG1-NE1 3.35Å; W725-F727 PolarHBondContact O-N 3.19Å
726	F	43.9	Very low	60.9	Low	202 Å²	202	91.8 Å²	91.8	89%	0.886	49%	0.491	S	S	*	.			trans	-55.4	122.5	177.5	-62.5	-88.8	0	0	0	109.4	S724 N728	S724-F726 PolarHBondContact O-N 3.4Å; F726-N728 PolarHBondContact O-N 2.91Å
727	F	44.1	Very low	60.3	Low	90 Å²	90	95.6 Å²	95.6	40%	0.395	51%	0.514	S	S	.	.			trans	-61.6	103.7	170.2	-87.2	-88.9	0	0	0	108.3	F676 I700 E715 W725 S729	F676-F727 HydrophobicContact CE2-CD2 4.21Å; F676-F727 HydrophobicContact CE2-CE2 4.45Å; F676-F727 AromaticContact CZ-CD2 3.95Å; F676-F727 HydrophobicContact CZ-CD2 3.95Å; F676-F727 HydrophobicContact CZ-CE2 4.03Å; I700-F727 HydrophobicContact CD1-CE2 4.24Å; I700-F727 HydrophobicContact CD1-CZ 4.49Å; E715-F727 HydrophobicContact CB-CE1 3.82Å; E715-F727 HydrophobicContact CB-CZ 4.01Å; E715-F727 HydrophobicContact CG-CE1 4.02Å; W725-F727 PolarHBondContact O-N 3.19Å; F727-S729 PolarHBondContact O-N 3.34Å
728	N	40.2	Very low	60.1	Low	161 Å²	161	97.7 Å²	97.7	86%	0.861	53%	0.527	S	S	*	.			trans	-78.1	67.9	-178.9	-164.8	22.6	0	0	0	109.7	F726	F726-N728 PolarHBondContact O-N 2.91Å
729	S	42.4	Very low	60.2	Low	59 Å²	59	95.1 Å²	95.1	41%	0.413	51%	0.514	S	S	.	.			trans	-151.4	73.7	179.8	-72	0	0	0	0	108.4	F727 M731	F727-S729 PolarHBondContact O-N 3.34Å; S729-M731 PolarHBondContact O-N 2.9Å
730	G	39.7	Very low	60.5	Low	90 Å²	90	97 Å²	97	93%	0.928	52%	0.523	S	S	*	.			trans	-69.8	31.2	170.1	0	0	0	0	0	113.8
731	M	41.8	Very low	60.9	Low	160 Å²	160	95 Å²	95	79%	0.788	51%	0.512	S	S	*	.	S	Bend	trans	-140.5	128	172.9	-62.7	-162.8	76.8	0	0	106.9	S729 K733	S729-M731 PolarHBondContact O-N 2.9Å; M731-K733 PolarHBondContact O-N 2.84Å
732	E	50.3	Low	61.5	Low	199 Å²	199	95.4 Å²	95.4	93%	0.93	51%	0.512	S	S	*	.			trans	-63	102.6	175	-63.6	173.5	152.8	0	0	108.9
733	K	58.6	Low	62.9	Low	90 Å²	90	91.1 Å²	91.1	39%	0.391	49%	0.487	S	S	.	.			trans	-63.7	132.6	165.6	-64.5	178.8	-167.1	161.2	0	107.3	N713 E715 M731 C735	N713-K733 PolarHBondContact ND2-NZ 3.48Å; E715-K733 IonicContact OE1-NZ 3.75Å; E715-K733 PolarHBondContact OE1-NZ 3.38Å; M731-K733 PolarHBondContact O-N 2.84Å; K733-C735 PolarHBondContact O-N 3.18Å
734	P	58.8	Low	64.4	Low	121 Å²	121	90.1 Å²	90.1	79%	0.786	48%	0.478	S	S	*	.			trans	-65.6	101.6	176.2	26.1	-33.2	0	0	0	109.9
735	C	63	Low	66	Low	51 Å²	51	91.3 Å²	91.3	35%	0.345	48%	0.481	S	S	.	.			trans	-71.9	135.2	166.8	-175.7	0	0	0	0	108.4	K733	K733-C735 PolarHBondContact O-N 3.18Å
736	P	75.3	Confident	67.7	Low	12 Å²	12	82.9 Å²	82.9	8%	0.078	46%	0.459	C	S	.	.			trans	-60.2	151.2	178.5	-21	30.9	0	0	0	112.8	V702 V738 V739 M753 E754	V702-P736 WeakPolarHBondContact O-CD 3.49Å; P736-V738 VanDerWaalsContact C-N 3.31Å; P736-V738 PolarHBondContact O-N 3.02Å; P736-V739 HydrophobicContact CB-CG2 3.7Å; P736-V739 HydrophobicContact CG-CG2 3.9Å; P736-M753 HydrophobicContact CG-CB 4.24Å; P736-M753 HydrophobicContact CG-CG 4.26Å; P736-E754 HydrophobicContact CB-CG 3.85Å
737	D	76.4	Confident	69.8	Low	121 Å²	121	77.4 Å²	77.4	65%	0.647	44%	0.439	S	S	*	.	S	Bend	trans	-68.5	-31	180	-82.1	-38.4	0	0	0	113.2	R683	R683-D737 IonicContact CZ-OD1 3.27Å; R683-D737 IonicContact NE-OD1 3.56Å; R683-D737 PolarHBondContact NH1-O 3.44Å; R683-D737 IonicContact NH2-OD1 2.77Å; R683-D737 PolarHBondContact NH2-OD1 2.94Å
738	V	81.9	Confident	71.9	Confident	53 Å²	53	73.2 Å²	73.2	32%	0.321	42%	0.42	S	S	.	.	S	Bend	trans	-117.3	117.1	172	-176.8	0	0	0	0	108.9	P736 L752 E754	P736-V738 VanDerWaalsContact C-N 3.31Å; P736-V738 PolarHBondContact O-N 3.02Å; V738-L752 HydrophobicContact CG1-CD2 3.89Å; V738-E754 PolarHBondContact O-N 3.06Å
739	V	89.1	Confident	74.3	Confident	18 Å²	18	65.5 Å²	65.5	11%	0.109	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.7	173.7	-174.1	0	0	0	0	109.1	V684 V702 P736 L752	V684-V739 HydrophobicContact CG2-CB 3.69Å; V684-V739 HydrophobicContact CG2-CG1 3.38Å; V702-V739 HydrophobicContact CB-CG1 3.89Å; V702-V739 HydrophobicContact CG2-CG1 3.9Å; P736-V739 HydrophobicContact CB-CG2 3.7Å; P736-V739 HydrophobicContact CG-CG2 3.9Å; V739-L752 WeakPolarHBondContact CA-O 3.48Å
740	Q	90.4	Very high	76.6	Confident	39 Å²	39	62.7 Å²	62.7	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.6	168.4	-171.2	-177.3	-17.1	0	0	109.6	N742 V751 L752 I785	Q740-N742 PolarHBondContact NE2-ND2 3.31Å; Q740-N742 VanDerWaalsContact NE2-ND2 3.18Å; Q740-N742 PolarHBondContact NE2-OD1 2.92Å; Q740-V751 WeakPolarHBondContact O-CA 3.43Å; Q740-L752 HydrophobicContact CB-CB 4.12Å; Q740-L752 HydrophobicContact CB-CD2 4.3Å; Q740-L752 PolarHBondContact N-O 2.83Å; Q740-L752 PolarHBondContact O-N 3.39Å; Q740-I785 HydrophobicContact CB-CG1 4.43Å; Q740-I785 PolarHBondContact NE2-O 2.9Å; Q740-I785 PolarHBondContact OE1-O 2.72Å
741	V	91.4	Very high	79.1	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.6	178	-178.4	0	0	0	0	108.8	V684 V702 L749 L750 V751	V684-V741 HydrophobicContact CG1-CB 4.38Å; V684-V741 HydrophobicContact CG1-CG2 4.06Å; V702-V741 HydrophobicContact CG2-CG2 3.61Å; V741-L749 HydrophobicContact CG1-CB 4.23Å; V741-L749 HydrophobicContact CG1-CD1 3.99Å; V741-L749 HydrophobicContact CG1-CD2 4.19Å; V741-L749 HydrophobicContact CG1-CG 4.37Å; V741-L750 WeakPolarHBondContact CA-O 3.1Å; V741-V751 HydrophobicContact CG2-CG2 4.46Å
742	N	90.5	Very high	81.4	Confident	38 Å²	38	50.8 Å²	50.8	20%	0.203	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.4	175.5	-56	-33.7	0	0	0	108.8	Q740 L744 L750 I785	Q740-N742 PolarHBondContact NE2-ND2 3.31Å; Q740-N742 VanDerWaalsContact NE2-ND2 3.18Å; Q740-N742 PolarHBondContact NE2-OD1 2.92Å; N742-L744 PolarHBondContact O-N 2.87Å; N742-L750 HydrophobicContact CB-CB 4.39Å; N742-L750 PolarHBondContact N-O 3.45Å; N742-L750 PolarHBondContact O-N 3.22Å; N742-I785 PolarHBondContact ND2-O 3.34Å
743	Q	90.5	Very high	83.2	Confident	64 Å²	64	41.3 Å²	41.3	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127	173	-172.6	173.1	4.9	0	0	110	V689 D745 L749	V689-Q743 PolarHBondContact O-NE2 3.43Å; Q743-D745 WeakPolarHBondContact CG-O 3.44Å; Q743-D745 PolarHBondContact NE2-O 3.28Å; Q743-L749 HydrophobicContact CB-CD2 3.99Å; Q743-L749 HydrophobicContact CG-CD2 4.13Å
744	L	86.5	Confident	84.5	Confident	62 Å²	62	41.3 Å²	41.3	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-41.7	-179.8	-65.6	-176.4	0	0	0	112.9	N742 S748 L750 V759 Y787	N742-L744 PolarHBondContact O-N 2.87Å; L744-S748 PolarHBondContact N-O 3.38Å; L744-L750 HydrophobicContact CD1-CB 3.91Å; L744-L750 HydrophobicContact CD2-CB 3.98Å; L744-L750 HydrophobicContact CD2-CD2 4.24Å; L744-L750 HydrophobicContact CG-CB 3.8Å; L744-V759 HydrophobicContact CD1-CG1 4.31Å; L744-V759 HydrophobicContact CD1-CG2 3.97Å; L744-Y787 HydrophobicContact CD2-CD1 3.77Å; L744-Y787 HydrophobicContact CD2-CD2 4.49Å; L744-Y787 HydrophobicContact CD2-CE1 4.46Å; L744-Y787 HydrophobicContact CD2-CG 3.78Å
745	D	83.8	Confident	85.8	Confident	75 Å²	75	41 Å²	41	40%	0.401	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	172.9	175.7	70.4	59.1	0	0	0	109.5	Q743 N747 S748 K767	Q743-D745 WeakPolarHBondContact CG-O 3.44Å; Q743-D745 PolarHBondContact NE2-O 3.28Å; D745-N747 PolarHBondContact O-N 3.12Å; D745-N747 VanDerWaalsContact OD1-CA 3.32Å; D745-N747 WeakPolarHBondContact OD1-CA 3.35Å; D745-N747 PolarHBondContact OD1-N 2.73Å; D745-S748 PolarHBondContact O-N 2.79Å; D745-S748 VanDerWaalsContact O-N 3.12Å; D745-S748 PolarHBondContact OD1-N 3.49Å; D745-K767 VanDerWaalsContact CG-NZ 3.35Å; D745-K767 IonicContact OD1-NZ 2.71Å; D745-K767 PolarHBondContact OD1-NZ 3.33Å; D745-K767 IonicContact OD2-NZ 3.18Å; D745-K767 PolarHBondContact OD2-NZ 2.81Å
746	G	83.8	Confident	86.9	Confident	31 Å²	31	38.8 Å²	38.8	32%	0.32	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-23.8	-179	0	0	0	0	0	114.3	P691	P691-G746 WeakPolarHBondContact CD-O 3.21Å
747	N	86.9	Confident	87.6	Confident	87 Å²	87	38.2 Å²	38.2	47%	0.465	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	27	-177.6	-61.6	28.4	0	0	0	111.9	P691 D745 N761 K767	P691-N747 WeakPolarHBondContact CG-OD1 3.32Å; D745-N747 PolarHBondContact O-N 3.12Å; D745-N747 VanDerWaalsContact OD1-CA 3.32Å; D745-N747 WeakPolarHBondContact OD1-CA 3.35Å; D745-N747 PolarHBondContact OD1-N 2.73Å; N747-N761 WeakPolarHBondContact O-CA 3.4Å; N747-K767 WeakPolarHBondContact O-CE 3.23Å; N747-K767 PolarHBondContact O-NZ 3.38Å; N747-K767 VanDerWaalsContact O-NZ 3.08Å
748	S	89.1	Confident	88.1	Confident	1 Å²	1	33 Å²	33	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.9	174	-104.7	0	0	0	0	116.5	L744 D745 V760 K767	L744-S748 PolarHBondContact N-O 3.38Å; D745-S748 PolarHBondContact O-N 2.79Å; D745-S748 VanDerWaalsContact O-N 3.12Å; D745-S748 PolarHBondContact OD1-N 3.49Å; S748-V760 WeakPolarHBondContact CA-O 3.37Å; S748-V760 WeakPolarHBondContact CB-O 3.37Å; S748-V760 PolarHBondContact OG-O 3.07Å; S748-K767 WeakPolarHBondContact OG-CD 3.4Å; S748-K767 WeakPolarHBondContact OG-CE 3.45Å; S748-K767 PolarHBondContact OG-NZ 3.19Å
749	L	90.7	Very high	88.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.7	173.7	-53.8	179.7	0	0	0	110.5	V688 V714 Y716 V741 Q743 V751 V759 V760 L762	V688-L749 HydrophobicContact CG1-CD2 4.15Å; V688-L749 HydrophobicContact CG2-CD1 4.45Å; V688-L749 HydrophobicContact CG2-CD2 3.74Å; V714-L749 HydrophobicContact CG1-CD1 4.48Å; Y716-L749 WeakPolarHBondContact OH-CD1 3.39Å; V741-L749 HydrophobicContact CG1-CB 4.23Å; V741-L749 HydrophobicContact CG1-CD1 3.99Å; V741-L749 HydrophobicContact CG1-CD2 4.19Å; V741-L749 HydrophobicContact CG1-CG 4.37Å; Q743-L749 HydrophobicContact CB-CD2 3.99Å; Q743-L749 HydrophobicContact CG-CD2 4.13Å; L749-V751 HydrophobicContact CB-CG2 4.01Å; L749-V759 WeakPolarHBondContact O-CA 3.45Å; L749-V760 HydrophobicContact CB-CG2 4.23Å; L749-V760 PolarHBondContact N-O 3.31Å; L749-V760 PolarHBondContact O-N 3.32Å; L749-L762 HydrophobicContact CD2-CD2 4.06Å; L749-L762 HydrophobicContact CG-CD2 4.09Å
750	L	90.7	Very high	88.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.3	162.9	-176.9	69	0	0	0	107.8	V741 N742 L744 V757 V759 I785 L792 F807	V741-L750 WeakPolarHBondContact CA-O 3.1Å; N742-L750 HydrophobicContact CB-CB 4.39Å; N742-L750 PolarHBondContact N-O 3.45Å; N742-L750 PolarHBondContact O-N 3.22Å; L744-L750 HydrophobicContact CD1-CB 3.91Å; L744-L750 HydrophobicContact CD2-CB 3.98Å; L744-L750 HydrophobicContact CD2-CD2 4.24Å; L744-L750 HydrophobicContact CG-CB 3.8Å; L750-V757 HydrophobicContact CD1-CG1 3.44Å; L750-V757 VanDerWaalsContact CD1-CG1 3.44Å; L750-V757 HydrophobicContact CG-CG1 4.15Å; L750-V759 HydrophobicContact CD1-CG2 3.5Å; L750-I785 HydrophobicContact CD2-CD1 3.86Å; L750-I785 HydrophobicContact CG-CD1 3.83Å; L750-L792 HydrophobicContact CD2-CD1 3.95Å; L750-F807 HydrophobicContact CD1-CE2 4.23Å; L750-F807 HydrophobicContact CD1-CZ 4.09Å
751	V	91.1	Very high	88.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.8	-172.3	179.2	0	0	0	0	109.5	V702 V712 Q740 V741 L749 M753 V757 Q758 V760	V702-V751 HydrophobicContact CG1-CG1 4Å; V712-V751 HydrophobicContact CG1-CG1 4.34Å; Q740-V751 WeakPolarHBondContact O-CA 3.43Å; V741-V751 HydrophobicContact CG2-CG2 4.46Å; L749-V751 HydrophobicContact CB-CG2 4.01Å; V751-M753 HydrophobicContact CG1-CE 4.31Å; V751-M753 HydrophobicContact CG1-CG 4.04Å; V751-M753 HydrophobicContact CG1-SD 4.49Å; V751-V757 VanDerWaalsContact O-CA 3.29Å; V751-V757 WeakPolarHBondContact O-CA 3.42Å; V751-Q758 PolarHBondContact N-O 3.45Å; V751-Q758 PolarHBondContact O-N 2.93Å; V751-V760 HydrophobicContact CG2-CG2 3.94Å
752	L	90.9	Very high	88.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.1	164.9	173.9	68.2	0	0	0	109.1	V738 V739 Q740 S756 V757 V782 I785	V738-L752 HydrophobicContact CG1-CD2 3.89Å; V739-L752 WeakPolarHBondContact CA-O 3.48Å; Q740-L752 HydrophobicContact CB-CB 4.12Å; Q740-L752 HydrophobicContact CB-CD2 4.3Å; Q740-L752 PolarHBondContact N-O 2.83Å; Q740-L752 PolarHBondContact O-N 3.39Å; L752-S756 WeakPolarHBondContact CA-O 3.42Å; L752-V757 HydrophobicContact CB-CG2 4.28Å; L752-V757 HydrophobicContact CD1-CG2 3.63Å; L752-V782 HydrophobicContact CD1-CB 4.34Å; L752-V782 HydrophobicContact CD1-CG1 4.18Å; L752-V782 HydrophobicContact CD2-CG1 4.14Å; L752-I785 HydrophobicContact CB-CD1 3.72Å; L752-I785 HydrophobicContact CB-CG1 3.95Å; L752-I785 HydrophobicContact CD1-CG2 4.46Å; L752-I785 HydrophobicContact CD2-CG1 4.28Å; L752-I785 HydrophobicContact CD2-CG2 4.32Å
753	M	88.3	Confident	88	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116.8	165.9	-68.6	179.1	-71.9	0	0	108.8	V702 R704 V712 P736 V751 R755 S756	V702-M753 HydrophobicContact CG1-CG 4.44Å; V702-M753 HydrophobicContact CG1-SD 3.91Å; R704-M753 HydrophobicContact CG-CE 3.93Å; R704-M753 HydrophobicContact CG-SD 3.88Å; V712-M753 HydrophobicContact CG2-CE 3.91Å; P736-M753 HydrophobicContact CG-CB 4.24Å; P736-M753 HydrophobicContact CG-CG 4.26Å; V751-M753 HydrophobicContact CG1-CE 4.31Å; V751-M753 HydrophobicContact CG1-CG 4.04Å; V751-M753 HydrophobicContact CG1-SD 4.49Å; M753-R755 PolarHBondContact O-N 3.23Å; M753-S756 PolarHBondContact N-O 3.43Å; M753-S756 PolarHBondContact O-N 2.85Å; M753-S756 PolarHBondContact O-OG 2.85Å
754	E	85.6	Confident	87.8	Confident	89 Å²	89	31.8 Å²	31.8	42%	0.416	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-100.7	-178.9	-47.1	165.1	165.8	0	0	112.5	R704 P736 V738	R704-E754 IonicContact CZ-OE2 3.67Å; R704-E754 VanDerWaalsContact NH1-CD 3.28Å; R704-E754 IonicContact NH1-OE1 2.76Å; R704-E754 PolarHBondContact NH1-OE1 2.98Å; R704-E754 IonicContact NH1-OE2 2.64Å; R704-E754 PolarHBondContact NH1-OE2 3.35Å; R704-E754 IonicContact NH2-OE2 2.66Å; R704-E754 PolarHBondContact NH2-OE2 3Å; P736-E754 HydrophobicContact CB-CG 3.85Å; V738-E754 PolarHBondContact O-N 3.06Å
755	R	86.1	Confident	87.7	Confident	115 Å²	115	32.9 Å²	32.9	43%	0.434	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	4.6	179.9	-60.3	-177.7	-177.7	169.9	-3.5	113	M753 I777 F778 D781	M753-R755 PolarHBondContact O-N 3.23Å; R755-I777 WeakPolarHBondContact O-CA 3.2Å; R755-F778 PolarHBondContact O-N 2.72Å; R755-D781 IonicContact CZ-OD1 2.68Å; R755-D781 IonicContact CZ-OD2 2.74Å; R755-D781 IonicContact NE-OD1 2.69Å; R755-D781 PolarHBondContact NE-OD1 3.12Å; R755-D781 IonicContact NE-OD2 2.77Å; R755-D781 IonicContact NH2-OD1 2.66Å; R755-D781 PolarHBondContact NH2-OD1 3.36Å; R755-D781 IonicContact NH2-OD2 3.61Å; R755-D781 PolarHBondContact NH2-OD2 3.34Å
756	S	86.9	Confident	87.4	Confident	4 Å²	4	31.1 Å²	31.1	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.6	-176.4	70.8	0	0	0	0	113.2	R704 L752 M753 E775 T776	R704-S756 PolarHBondContact NH2-OG 3.29Å; L752-S756 WeakPolarHBondContact CA-O 3.42Å; M753-S756 PolarHBondContact N-O 3.43Å; M753-S756 PolarHBondContact O-N 2.85Å; M753-S756 PolarHBondContact O-OG 2.85Å; S756-E775 WeakPolarHBondContact CB-OE1 3.24Å; S756-E775 PolarHBondContact OG-OE1 3.41Å; S756-T776 CarbonylContact C-O 3.57Å; S756-T776 WeakPolarHBondContact CA-O 3.33Å
757	V	89.2	Confident	86.5	Confident	1 Å²	1	34 Å²	34	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.9	179.2	175.6	0	0	0	0	109.5	L750 V751 L752 T776 F778 I785 L792	L750-V757 HydrophobicContact CD1-CG1 3.44Å; L750-V757 VanDerWaalsContact CD1-CG1 3.44Å; L750-V757 HydrophobicContact CG-CG1 4.15Å; V751-V757 VanDerWaalsContact O-CA 3.29Å; V751-V757 WeakPolarHBondContact O-CA 3.42Å; L752-V757 HydrophobicContact CB-CG2 4.28Å; L752-V757 HydrophobicContact CD1-CG2 3.63Å; V757-T776 PolarHBondContact N-O 2.96Å; V757-T776 PolarHBondContact O-N 3.17Å; V757-F778 HydrophobicContact CB-CE2 4.12Å; V757-F778 HydrophobicContact CG2-CD2 4.33Å; V757-F778 HydrophobicContact CG2-CE2 3.65Å; V757-I785 HydrophobicContact CG1-CD1 4.26Å; V757-I785 HydrophobicContact CG2-CD1 4.2Å; V757-I785 HydrophobicContact CG2-CG2 4.15Å; V757-L792 HydrophobicContact CG1-CD2 4.17Å
758	Q	87.8	Confident	85	Confident	12 Å²	12	35.7 Å²	35.7	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.5	179	-59.8	-174.4	16.3	0	0	110.6	V751 E775	V751-Q758 PolarHBondContact N-O 3.45Å; V751-Q758 PolarHBondContact O-N 2.93Å; Q758-E775 HydrophobicContact CG-CB 4.03Å; Q758-E775 HydrophobicContact CG-CG 3.86Å; Q758-E775 VanDerWaalsContact NE2-CD 3.34Å; Q758-E775 PolarHBondContact NE2-OE1 3.13Å
759	V	88	Confident	83.3	Confident	37 Å²	37	43.1 Å²	43.1	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.4	167.5	172.9	0	0	0	0	109.3	L744 L749 L750 F807	L744-V759 HydrophobicContact CD1-CG1 4.31Å; L744-V759 HydrophobicContact CD1-CG2 3.97Å; L749-V759 WeakPolarHBondContact O-CA 3.45Å; L750-V759 HydrophobicContact CD1-CG2 3.5Å; V759-F807 HydrophobicContact CG2-CE2 3.71Å; V759-F807 HydrophobicContact CG2-CZ 4.18Å
760	V	88.9	Confident	81.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	171	-176.5	-71	0	0	0	0	111	V712 S748 L749 V751 E765 L766	V712-V760 HydrophobicContact CB-CG1 4.31Å; V712-V760 HydrophobicContact CG2-CG1 3.78Å; V712-V760 HydrophobicContact CG2-CG2 4.4Å; S748-V760 WeakPolarHBondContact CA-O 3.37Å; S748-V760 WeakPolarHBondContact CB-O 3.37Å; S748-V760 PolarHBondContact OG-O 3.07Å; L749-V760 HydrophobicContact CB-CG2 4.23Å; L749-V760 PolarHBondContact N-O 3.31Å; L749-V760 PolarHBondContact O-N 3.32Å; V751-V760 HydrophobicContact CG2-CG2 3.94Å; V760-E765 CarbonylContact C-O 3.59Å; V760-E765 WeakPolarHBondContact CA-O 3.48Å; V760-E765 VanDerWaalsContact CB-O 3.26Å; V760-E765 WeakPolarHBondContact CB-O 3.27Å; V760-L766 HydrophobicContact CG1-CD2 4.4Å
761	N	89	Confident	78.9	Confident	26 Å²	26	60.3 Å²	60.3	14%	0.139	29%	0.286	C	S	.	.			trans	-74	-170.4	161.5	66.9	0.5	0	0	0	110.8	N747 E763 G764 E765	N747-N761 WeakPolarHBondContact O-CA 3.4Å; N761-E763 PolarHBondContact ND2-OE2 3.41Å; N761-E763 PolarHBondContact O-N 3.1Å; N761-E763 PolarHBondContact OD1-N 3.11Å; N761-G764 PolarHBondContact OD1-N 2.85Å; N761-E765 PolarHBondContact N-O 2.65Å; N761-E765 PolarHBondContact ND2-OE2 2.77Å; N761-E765 WeakPolarHBondContact OD1-CA 3.3Å; N761-E765 WeakPolarHBondContact OD1-CB 3.48Å; N761-E765 PolarHBondContact OD1-N 2.95Å; N761-E765 PolarHBondContact OD1-O 2.75Å
762	L	88.5	Confident	76.8	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.047	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.5	-179.2	-49.2	-170.7	0	0	0	111	V688 P690 Y716 L749	V688-L762 HydrophobicContact CG1-CD1 4.05Å; V688-L762 HydrophobicContact CG1-CD2 3.78Å; V688-L762 HydrophobicContact CG1-CG 4.41Å; P690-L762 HydrophobicContact CB-CD1 3.87Å; P690-L762 HydrophobicContact CG-CD1 4.04Å; Y716-L762 VanDerWaalsContact CE2-O 3.22Å; Y716-L762 WeakPolarHBondContact CE2-O 3.45Å; Y716-L762 PolarHBondContact OH-O 2.67Å; L749-L762 HydrophobicContact CD2-CD2 4.06Å; L749-L762 HydrophobicContact CG-CD2 4.09Å
763	E	86.3	Confident	74.9	Confident	119 Å²	119	67.5 Å²	67.5	56%	0.556	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.4	-176.2	-61.1	65.7	-149.6	0	0	113.1	N761	N761-E763 PolarHBondContact ND2-OE2 3.41Å; N761-E763 PolarHBondContact O-N 3.1Å; N761-E763 PolarHBondContact OD1-N 3.11Å
764	G	85.3	Confident	73.7	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.365	C	S	.	.	S	Bend	trans	94.4	9.2	179.5	0	0	0	0	0	115.5	T710 P711 V712 N761	T710-G764 WeakPolarHBondContact CA-O 3.4Å; P711-G764 WeakPolarHBondContact CD-O 3.43Å; V712-G764 PolarHBondContact N-O 3.19Å; V712-G764 WeakPolarHBondContact O-CA 3.46Å; N761-G764 PolarHBondContact OD1-N 2.85Å
765	E	85.7	Confident	73.1	Confident	84 Å²	84	73.2 Å²	73.2	39%	0.393	36%	0.36	S	S	.	.			trans	-85.2	151.8	175.3	-56.2	173.6	133.1	0	0	112.6	S709 T710 V760 N761	S709-E765 VanDerWaalsContact O-CA 3.32Å; S709-E765 WeakPolarHBondContact O-CA 3.43Å; T710-E765 HydrophobicContact CG2-CB 4.41Å; T710-E765 HydrophobicContact CG2-CG 3.4Å; T710-E765 VanDerWaalsContact CG2-CG 3.4Å; V760-E765 CarbonylContact C-O 3.59Å; V760-E765 WeakPolarHBondContact CA-O 3.48Å; V760-E765 VanDerWaalsContact CB-O 3.26Å; V760-E765 WeakPolarHBondContact CB-O 3.27Å; N761-E765 PolarHBondContact N-O 2.65Å; N761-E765 PolarHBondContact ND2-OE2 2.77Å; N761-E765 WeakPolarHBondContact OD1-CA 3.3Å; N761-E765 WeakPolarHBondContact OD1-CB 3.48Å; N761-E765 PolarHBondContact OD1-N 2.95Å; N761-E765 PolarHBondContact OD1-O 2.75Å
766	L	76.4	Confident	72.9	Confident	39 Å²	39	68 Å²	68	20%	0.204	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-74.9	126.8	175	-67.9	167.7	0	0	0	111.7	S709 P711 V760 T768 Q774	S709-L766 PolarHBondContact O-N 3.37Å; P711-L766 HydrophobicContact CG-CD1 4.06Å; P711-L766 HydrophobicContact CG-CD2 3.98Å; P711-L766 HydrophobicContact CG-CG 3.72Å; V760-L766 HydrophobicContact CG1-CD2 4.4Å; L766-T768 PolarHBondContact O-N 2.88Å; L766-Q774 HydrophobicContact CD1-CB 4.12Å; L766-Q774 HydrophobicContact CD1-CG 4.2Å; L766-Q774 HydrophobicContact CD2-CB 4.32Å
767	K	65.7	Low	72.8	Confident	90 Å²	90	73.1 Å²	73.1	39%	0.391	37%	0.367	S	S	.	.			trans	-65.3	102.2	167.3	-87.1	-176.2	176.1	162	0	109.4	D745 N747 S748 N769	D745-K767 VanDerWaalsContact CG-NZ 3.35Å; D745-K767 IonicContact OD1-NZ 2.71Å; D745-K767 PolarHBondContact OD1-NZ 3.33Å; D745-K767 IonicContact OD2-NZ 3.18Å; D745-K767 PolarHBondContact OD2-NZ 2.81Å; N747-K767 WeakPolarHBondContact O-CE 3.23Å; N747-K767 PolarHBondContact O-NZ 3.38Å; N747-K767 VanDerWaalsContact O-NZ 3.08Å; S748-K767 WeakPolarHBondContact OG-CD 3.4Å; S748-K767 WeakPolarHBondContact OG-CE 3.45Å; S748-K767 PolarHBondContact OG-NZ 3.19Å; K767-N769 PolarHBondContact O-N 2.74Å; K767-N769 VanDerWaalsContact O-N 3.07Å
768	T	55.6	Low	72.7	Confident	124 Å²	124	73.4 Å²	73.4	76%	0.761	37%	0.368	S	S	*	.	S	Bend	trans	-62.2	-15.2	-170.8	49.2	0	0	0	0	116.4	L766 R770	L766-T768 PolarHBondContact O-N 2.88Å; T768-R770 PolarHBondContact O-N 2.85Å
769	N	52.8	Low	72.6	Confident	157 Å²	157	77.7 Å²	77.7	84%	0.84	40%	0.4	S	S	*	.	S	Bend	trans	-90.5	29.9	-171.6	-81.3	-15.6	0	0	0	115.5	K767	K767-N769 PolarHBondContact O-N 2.74Å; K767-N769 VanDerWaalsContact O-N 3.07Å
770	R	47.8	Very low	72.6	Confident	171 Å²	171	79.3 Å²	79.3	65%	0.645	40%	0.404	S	S	*	.			trans	-140.3	124.4	169.3	-68.2	-169.3	-174.6	173.9	7.8	112.6	T768	T768-R770 PolarHBondContact O-N 2.85Å
771	H	40.2	Very low	72.5	Confident	189 Å²	189	84 Å²	84	88%	0.875	43%	0.429	S	S	*	.			trans	-105	145.5	162	-58.8	-75.9	0	0	0	109.4
772	P	47.6	Very low	72.6	Confident	92 Å²	92	82.8 Å²	82.8	60%	0.597	42%	0.423	S	S	*	.	S	Bend	cis	-112.3	178.4	-41.7	39	-27.9	0	0	0	110.7
773	P	51.6	Low	72.7	Confident	60 Å²	60	86.6 Å²	86.6	39%	0.39	44%	0.441	S	S	.	.			cis	-109.6	170.8	-3.6	37.5	-22.2	0	0	0	112.4	S806 T808	P773-S806 WeakPolarHBondContact CD-O 3.23Å; P773-T808 HydrophobicContact CG-CG2 4.28Å
774	Q	62.1	Low	73	Confident	140 Å²	140	81.9 Å²	81.9	65%	0.654	42%	0.421	S	S	*	.	S	Bend	trans	-81.7	-18.5	-178.5	-69.9	158	-54.7	0	0	113.6	L766	L766-Q774 HydrophobicContact CD1-CB 4.12Å; L766-Q774 HydrophobicContact CD1-CG 4.2Å; L766-Q774 HydrophobicContact CD2-CB 4.32Å
775	E	73.4	Confident	73.3	Confident	68 Å²	68	81.9 Å²	81.9	32%	0.318	42%	0.421	S	S	.	.			trans	-143.7	138.9	172.8	179.8	167.4	-129.1	0	0	109.3	S756 Q758 I777	S756-E775 WeakPolarHBondContact CB-OE1 3.24Å; S756-E775 PolarHBondContact OG-OE1 3.41Å; Q758-E775 HydrophobicContact CG-CB 4.03Å; Q758-E775 HydrophobicContact CG-CG 3.86Å; Q758-E775 VanDerWaalsContact NE2-CD 3.34Å; Q758-E775 PolarHBondContact NE2-OE1 3.13Å; E775-I777 HydrophobicContact CG-CG1 4.21Å
776	T	82.3	Confident	73.5	Confident	7 Å²	7	79.6 Å²	79.6	4%	0.043	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.4	177.6	-59.4	0	0	0	0	109.6	S756 V757 F778 F807	S756-T776 CarbonylContact C-O 3.57Å; S756-T776 WeakPolarHBondContact CA-O 3.33Å; V757-T776 PolarHBondContact N-O 2.96Å; V757-T776 PolarHBondContact O-N 3.17Å; T776-F778 HydrophobicContact CG2-CE2 3.96Å; T776-F778 HydrophobicContact CG2-CZ 4.21Å; T776-F807 HydrophobicContact CG2-CB 3.9Å; T776-F807 WeakPolarHBondContact CG2-O 3.45Å; T776-F807 WeakPolarHBondContact OG1-CB 3.3Å
777	I	85.4	Confident	74.1	Confident	111 Å²	111	81 Å²	81	57%	0.569	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.8	178.9	-54.2	178.6	0	0	0	109.8	R755 E775	R755-I777 WeakPolarHBondContact O-CA 3.2Å; E775-I777 HydrophobicContact CG-CG1 4.21Å
778	F	87.2	Confident	75	Confident	7 Å²	7	79.1 Å²	79.1	3%	0.031	41%	0.407	C	S	.	.			trans	-104.5	143.8	176.1	-68.9	-96.3	0	0	0	111.2	R755 V757 T776 H780 V782 L792 A794	R755-F778 PolarHBondContact O-N 2.72Å; V757-F778 HydrophobicContact CB-CE2 4.12Å; V757-F778 HydrophobicContact CG2-CD2 4.33Å; V757-F778 HydrophobicContact CG2-CE2 3.65Å; T776-F778 HydrophobicContact CG2-CE2 3.96Å; T776-F778 HydrophobicContact CG2-CZ 4.21Å; F778-H780 PolarHBondContact O-N 2.95Å; F778-V782 HydrophobicContact CB-CG2 3.64Å; F778-V782 HydrophobicContact CD1-CG2 3.88Å; F778-V782 HydrophobicContact CD2-CG2 4.08Å; F778-V782 HydrophobicContact CG-CG2 3.59Å; F778-L792 HydrophobicContact CZ-CD2 3.97Å; F778-A794 HydrophobicContact CD1-CB 4.08Å; F778-A794 HydrophobicContact CE1-CB 3.45Å; F778-A794 VanDerWaalsContact CE1-CB 3.45Å; F778-A794 HydrophobicContact CZ-CB 3.78Å
779	S	85.1	Confident	76.2	Confident	102 Å²	102	77.6 Å²	77.6	71%	0.713	39%	0.392	S	S	*	.	S	Bend	trans	-70.9	-9.3	177	-46.9	0	0	0	0	113.8
780	H	87.8	Confident	77.6	Confident	70 Å²	70	72.9 Å²	72.9	32%	0.324	37%	0.366	S	S	.	.	S	Bend	trans	-127.8	157.4	-174.5	-60	-47	0	0	0	110.7	F778 V782 W796	F778-H780 PolarHBondContact O-N 2.95Å; H780-V782 PolarHBondContact O-N 3.3Å; H780-W796 HydrophobicContact CB-CB 4.49Å; H780-W796 HydrophobicContact CB-CD2 3.95Å; H780-W796 HydrophobicContact CB-CE3 4.47Å; H780-W796 HydrophobicContact CB-CG 3.94Å; H780-W796 AromaticContact CD2-CE2 3.42Å; H780-W796 VanDerWaalsContact CD2-CE2 3.42Å; H780-W796 AromaticContact CD2-CH2 3.89Å; H780-W796 AromaticContact CD2-CZ2 3.34Å; H780-W796 WeakPolarHBondContact CD2-CZ2 3.44Å; H780-W796 AromaticContact CD2-NE1 3.72Å; H780-W796 AromaticContact CG-CE2 3.9Å; H780-W796 AromaticContact CG-NE1 3.86Å; H780-W796 AromaticContact NE2-CZ2 3.96Å
781	D	87.6	Confident	79.4	Confident	98 Å²	98	65.3 Å²	65.3	52%	0.524	34%	0.339	S	S	.	.			trans	-71	88.9	172	-64.3	-70.2	0	0	0	110.4	R755 E783 W796	R755-D781 IonicContact CZ-OD1 2.68Å; R755-D781 IonicContact CZ-OD2 2.74Å; R755-D781 IonicContact NE-OD1 2.69Å; R755-D781 PolarHBondContact NE-OD1 3.12Å; R755-D781 IonicContact NE-OD2 2.77Å; R755-D781 IonicContact NH2-OD1 2.66Å; R755-D781 PolarHBondContact NH2-OD1 3.36Å; R755-D781 IonicContact NH2-OD2 3.61Å; R755-D781 PolarHBondContact NH2-OD2 3.34Å; D781-E783 PolarHBondContact O-N 2.84Å; D781-W796 WeakPolarHBondContact O-CB 3.37Å
782	V	91	Very high	81.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	30%	0.297	C	S	.	.			trans	-67.4	122.3	178	175.7	0	0	0	0	109.6	L752 F778 H780 S784 I785 A794	L752-V782 HydrophobicContact CD1-CB 4.34Å; L752-V782 HydrophobicContact CD1-CG1 4.18Å; L752-V782 HydrophobicContact CD2-CG1 4.14Å; F778-V782 HydrophobicContact CB-CG2 3.64Å; F778-V782 HydrophobicContact CD1-CG2 3.88Å; F778-V782 HydrophobicContact CD2-CG2 4.08Å; F778-V782 HydrophobicContact CG-CG2 3.59Å; H780-V782 PolarHBondContact O-N 3.3Å; V782-S784 WeakPolarHBondContact CG1-O 3.37Å; V782-I785 HydrophobicContact CG1-CG2 3.81Å; V782-A794 HydrophobicContact CG1-CB 3.98Å; V782-A794 HydrophobicContact CG2-CB 4.13Å
783	E	89.9	Confident	83.8	Confident	90 Å²	90	52.1 Å²	52.1	42%	0.421	27%	0.27	S	S	.	.			trans	-88.2	-26.9	179.8	-64.5	-177.4	-173.3	0	0	112.1	D781 V795 R797	D781-E783 PolarHBondContact O-N 2.84Å; E783-V795 PolarHBondContact N-O 3.32Å; E783-R797 VanDerWaalsContact OE1-CB 3.31Å; E783-R797 WeakPolarHBondContact OE1-CB 3.42Å; E783-R797 PolarHBondContact OE1-N 3.48Å
784	S	91.6	Very high	85.7	Confident	20 Å²	20	49.2 Å²	49.2	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	154	-177.1	52.3	0	0	0	0	113.1	V782 V795 M823	V782-S784 WeakPolarHBondContact CG1-O 3.37Å; S784-V795 PolarHBondContact N-O 2.86Å; S784-V795 PolarHBondContact O-N 3.35Å; S784-M823 WeakPolarHBondContact OG-CB 3.15Å; S784-M823 WeakPolarHBondContact OG-CE 3.23Å
785	I	92.6	Very high	87.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.3	178.3	54.5	160.3	0	0	0	113	Q740 N742 L750 L752 V757 V782 L792 L793 A794	Q740-I785 HydrophobicContact CB-CG1 4.43Å; Q740-I785 PolarHBondContact NE2-O 2.9Å; Q740-I785 PolarHBondContact OE1-O 2.72Å; N742-I785 PolarHBondContact ND2-O 3.34Å; L750-I785 HydrophobicContact CD2-CD1 3.86Å; L750-I785 HydrophobicContact CG-CD1 3.83Å; L752-I785 HydrophobicContact CB-CD1 3.72Å; L752-I785 HydrophobicContact CB-CG1 3.95Å; L752-I785 HydrophobicContact CD1-CG2 4.46Å; L752-I785 HydrophobicContact CD2-CG1 4.28Å; L752-I785 HydrophobicContact CD2-CG2 4.32Å; V757-I785 HydrophobicContact CG1-CD1 4.26Å; V757-I785 HydrophobicContact CG2-CD1 4.2Å; V757-I785 HydrophobicContact CG2-CG2 4.15Å; V782-I785 HydrophobicContact CG1-CG2 3.81Å; I785-L792 HydrophobicContact CB-CD1 4.09Å; I785-L792 HydrophobicContact CG2-CD1 4.32Å; I785-L793 CarbonylContact C-O 3.53Å; I785-L793 VanDerWaalsContact CA-O 3.31Å; I785-L793 WeakPolarHBondContact CA-O 3.46Å; I785-A794 HydrophobicContact CG2-CB 4.08Å
786	V	90.2	Very high	88.1	Confident	35 Å²	35	40 Å²	40	21%	0.212	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.6	170.2	160.7	0	0	0	0	109.6	F788 L793 M823 V830	V786-F788 HydrophobicContact CG1-CB 4.14Å; V786-L793 PolarHBondContact N-O 3.06Å; V786-L793 PolarHBondContact O-N 3.09Å; V786-M823 HydrophobicContact CB-CE 4.08Å; V786-M823 HydrophobicContact CB-SD 4.04Å; V786-M823 HydrophobicContact CG2-CE 3.64Å; V786-M823 HydrophobicContact CG2-SD 3.54Å; V786-M823 VanDerWaalsContact CG2-SD 3.54Å; V786-V830 HydrophobicContact CG1-CG1 4.29Å; V786-V830 HydrophobicContact CG1-CG2 3.77Å
787	Y	88	Confident	88.5	Confident	69 Å²	69	46.3 Å²	46.3	27%	0.271	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.6	170.1	-172.3	-99.5	0	0	0	109.1	L744 D790 T791 F807	L744-Y787 HydrophobicContact CD2-CD1 3.77Å; L744-Y787 HydrophobicContact CD2-CD2 4.49Å; L744-Y787 HydrophobicContact CD2-CE1 4.46Å; L744-Y787 HydrophobicContact CD2-CG 3.78Å; Y787-D790 WeakPolarHBondContact OH-CA 3.42Å; Y787-D790 PolarHBondContact OH-OD1 3.08Å; Y787-T791 WeakPolarHBondContact CA-O 3.41Å; Y787-F807 HydrophobicContact CD2-CE1 4.02Å; Y787-F807 HydrophobicContact CD2-CZ 4.35Å; Y787-F807 AromaticContact CE2-CE1 3.86Å; Y787-F807 HydrophobicContact CE2-CE1 3.86Å; Y787-F807 HydrophobicContact CE2-CZ 4.17Å
788	F	84.7	Confident	88.9	Confident	51 Å²	51	43.1 Å²	43.1	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	131.3	-172.5	-177.2	-92.1	0	0	0	110.1	V517 V786 D790 T791 V830 L849 V851	V517-F788 HydrophobicContact CG1-CD1 4.23Å; V517-F788 HydrophobicContact CG1-CE1 3.82Å; V786-F788 HydrophobicContact CG1-CB 4.14Å; F788-D790 VanDerWaalsContact C-N 3.32Å; F788-D790 PolarHBondContact O-N 3.47Å; F788-T791 PolarHBondContact N-O 3Å; F788-T791 WeakPolarHBondContact O-CA 3.37Å; F788-T791 PolarHBondContact O-N 3.06Å; F788-T791 VanDerWaalsContact O-O 3.09Å; F788-T791 PolarHBondContact O-OG1 2.89Å; F788-V830 HydrophobicContact CB-CG2 4.42Å; F788-V830 HydrophobicContact CD2-CG2 3.72Å; F788-V830 HydrophobicContact CE2-CG2 4.23Å; F788-V830 HydrophobicContact CG-CG2 4.19Å; F788-L849 HydrophobicContact CB-CD2 4.3Å; F788-L849 HydrophobicContact CD1-CD2 3.52Å; F788-L849 HydrophobicContact CD1-CG 4.26Å; F788-L849 HydrophobicContact CE1-CD2 3.88Å; F788-L849 HydrophobicContact CE1-CG 4.13Å; F788-L849 HydrophobicContact CG-CD2 3.87Å; F788-V851 HydrophobicContact CE1-CG2 3.84Å; F788-V851 HydrophobicContact CZ-CG2 3.97Å
789	E	81.6	Confident	89.1	Confident	92 Å²	92	42.8 Å²	42.8	43%	0.43	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.4	178.9	-85.4	-52.6	130	0	0	116.3	K514 T791 V851	K514-E789 PolarHBondContact NZ-O 2.68Å; K514-E789 IonicContact NZ-OE2 2.79Å; K514-E789 PolarHBondContact NZ-OE2 2.69Å; E789-T791 PolarHBondContact O-N 3.24Å; E789-V851 HydrophobicContact CG-CG2 3.85Å
790	D	81	Confident	89.4	Confident	57 Å²	57	39.1 Å²	39.1	31%	0.305	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	8.6	-170.9	-66.2	-57.3	0	0	0	116	K514 Y787 F788 K805	K514-D790 IonicContact NZ-OD2 3.14Å; K514-D790 PolarHBondContact NZ-OD2 2.81Å; Y787-D790 WeakPolarHBondContact OH-CA 3.42Å; Y787-D790 PolarHBondContact OH-OD1 3.08Å; F788-D790 VanDerWaalsContact C-N 3.32Å; F788-D790 PolarHBondContact O-N 3.47Å; D790-K805 HydrophobicContact CB-CB 4.35Å; D790-K805 HydrophobicContact CB-CD 3.95Å; D790-K805 HydrophobicContact CB-CG 4.26Å; D790-K805 VanDerWaalsContact CG-NZ 3.34Å; D790-K805 WeakPolarHBondContact O-CA 3.29Å; D790-K805 WeakPolarHBondContact O-CB 3.22Å; D790-K805 PolarHBondContact O-N 3.13Å; D790-K805 WeakPolarHBondContact OD1-CE 3.46Å; D790-K805 IonicContact OD1-NZ 2.7Å; D790-K805 PolarHBondContact OD1-NZ 3.03Å; D790-K805 IonicContact OD2-NZ 2.72Å
791	T	86.2	Confident	89.5	Confident	12 Å²	12	36.4 Å²	36.4	7%	0.074	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.3	-179.7	63	0	0	0	0	112	Y787 F788 E789 R803 L811	Y787-T791 WeakPolarHBondContact CA-O 3.41Å; F788-T791 PolarHBondContact N-O 3Å; F788-T791 WeakPolarHBondContact O-CA 3.37Å; F788-T791 PolarHBondContact O-N 3.06Å; F788-T791 VanDerWaalsContact O-O 3.09Å; F788-T791 PolarHBondContact O-OG1 2.89Å; E789-T791 PolarHBondContact O-N 3.24Å; T791-R803 CarbonylContact C-O 3.59Å; T791-R803 VanDerWaalsContact CA-O 3.25Å; T791-R803 WeakPolarHBondContact CA-O 3.45Å; T791-R803 VanDerWaalsContact CB-O 3.23Å; T791-R803 WeakPolarHBondContact CB-O 3.43Å; T791-L811 HydrophobicContact CG2-CD1 3.59Å
792	L	89.6	Confident	89.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.4	173.1	176.8	62.3	0	0	0	109.2	L750 V757 F778 I785 R802 R803 F807	L750-L792 HydrophobicContact CD2-CD1 3.95Å; V757-L792 HydrophobicContact CG1-CD2 4.17Å; F778-L792 HydrophobicContact CZ-CD2 3.97Å; I785-L792 HydrophobicContact CB-CD1 4.09Å; I785-L792 HydrophobicContact CG2-CD1 4.32Å; L792-R802 CarbonylContact O-C 3.57Å; L792-R802 VanDerWaalsContact O-CA 3.31Å; L792-R802 WeakPolarHBondContact O-CA 3.38Å; L792-R803 PolarHBondContact N-O 3.12Å; L792-R803 PolarHBondContact O-N 2.96Å; L792-F807 HydrophobicContact CB-CD1 3.51Å; L792-F807 HydrophobicContact CB-CE1 3.69Å; L792-F807 HydrophobicContact CD2-CB 4.3Å; L792-F807 HydrophobicContact CD2-CD1 3.64Å; L792-F807 HydrophobicContact CD2-CE1 4.12Å; L792-F807 HydrophobicContact CD2-CG 3.97Å; L792-F807 HydrophobicContact CG-CD1 4.21Å; L792-F807 HydrophobicContact CG-CE1 4.42Å
793	L	91.4	Very high	89.5	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.8	166.5	178.7	68.7	0	0	0	108.8	F519 I785 V786 V795 W800 M823 V830	F519-L793 HydrophobicContact CZ-CD1 4.33Å; F519-L793 HydrophobicContact CZ-CD2 3.88Å; I785-L793 CarbonylContact C-O 3.53Å; I785-L793 VanDerWaalsContact CA-O 3.31Å; I785-L793 WeakPolarHBondContact CA-O 3.46Å; V786-L793 PolarHBondContact N-O 3.06Å; V786-L793 PolarHBondContact O-N 3.09Å; L793-V795 HydrophobicContact CD2-CG2 4.25Å; L793-V795 HydrophobicContact CG-CG2 4.09Å; L793-W800 HydrophobicContact CD1-CB 4.22Å; L793-W800 HydrophobicContact CD1-CD2 4.32Å; L793-W800 HydrophobicContact CD1-CE3 3.72Å; L793-M823 HydrophobicContact CD2-SD 4.17Å; L793-V830 HydrophobicContact CD2-CG1 3.95Å
794	A	92.1	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.3	169.6	0	0	0	0	0	109.7	F778 V782 I785 W800 Q801	F778-A794 HydrophobicContact CD1-CB 4.08Å; F778-A794 HydrophobicContact CE1-CB 3.45Å; F778-A794 VanDerWaalsContact CE1-CB 3.45Å; F778-A794 HydrophobicContact CZ-CB 3.78Å; V782-A794 HydrophobicContact CG1-CB 3.98Å; V782-A794 HydrophobicContact CG2-CB 4.13Å; I785-A794 HydrophobicContact CG2-CB 4.08Å; A794-W800 CarbonylContact O-C 3.58Å; A794-W800 VanDerWaalsContact O-CA 3.22Å; A794-W800 WeakPolarHBondContact O-CA 3.5Å; A794-W800 WeakPolarHBondContact O-CB 3.45Å; A794-Q801 PolarHBondContact N-O 3.01Å; A794-Q801 PolarHBondContact O-N 3.3Å
795	V	92.8	Very high	88.4	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.4	-178	-173.4	0	0	0	0	109.7	E783 S784 L793 W800 M823 L832	E783-V795 PolarHBondContact N-O 3.32Å; S784-V795 PolarHBondContact N-O 2.86Å; S784-V795 PolarHBondContact O-N 3.35Å; L793-V795 HydrophobicContact CD2-CG2 4.25Å; L793-V795 HydrophobicContact CG-CG2 4.09Å; V795-W800 HydrophobicContact CG2-CB 4.08Å; V795-M823 HydrophobicContact CG2-CB 4.48Å; V795-M823 HydrophobicContact CG2-CE 3.98Å; V795-M823 HydrophobicContact CG2-SD 4.27Å; V795-L832 HydrophobicContact CG1-CD1 4.21Å
796	W	93	Very high	87.2	Confident	14 Å²	14	37.4 Å²	37.4	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	167.8	171.6	61.9	100.8	0	0	0	109.9	H780 D781 H798 G799 W800 Q801 E813 T815	H780-W796 HydrophobicContact CB-CB 4.49Å; H780-W796 HydrophobicContact CB-CD2 3.95Å; H780-W796 HydrophobicContact CB-CE3 4.47Å; H780-W796 HydrophobicContact CB-CG 3.94Å; H780-W796 AromaticContact CD2-CE2 3.42Å; H780-W796 VanDerWaalsContact CD2-CE2 3.42Å; H780-W796 AromaticContact CD2-CH2 3.89Å; H780-W796 AromaticContact CD2-CZ2 3.34Å; H780-W796 WeakPolarHBondContact CD2-CZ2 3.44Å; H780-W796 AromaticContact CD2-NE1 3.72Å; H780-W796 AromaticContact CG-CE2 3.9Å; H780-W796 AromaticContact CG-NE1 3.86Å; H780-W796 AromaticContact NE2-CZ2 3.96Å; D781-W796 WeakPolarHBondContact O-CB 3.37Å; W796-H798 PolarHBondContact O-N 2.96Å; W796-G799 PolarHBondContact N-O 3.44Å; W796-G799 PolarHBondContact O-N 3.3Å; W796-G799 VanDerWaalsContact O-N 3.08Å; W796-W800 VanDerWaalsContact CZ3-C 3.41Å; W796-W800 VanDerWaalsContact CZ3-CA 3.46Å; W796-Q801 HydrophobicContact CH2-CB 3.79Å; W796-Q801 HydrophobicContact CZ3-CB 3.63Å; W796-E813 HydrophobicContact CH2-CG 4.34Å; W796-T815 WeakPolarHBondContact CZ2-OG1 3.49Å
797	R	90.8	Very high	86.7	Confident	139 Å²	139	36.6 Å²	36.6	53%	0.525	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.6	-40.1	-175.4	-165.8	175.4	171.4	139.8	-0.4	116.2	E783 I820 Y821	E783-R797 VanDerWaalsContact OE1-CB 3.31Å; E783-R797 WeakPolarHBondContact OE1-CB 3.42Å; E783-R797 PolarHBondContact OE1-N 3.48Å; R797-I820 HydrophobicContact CG-CG2 4.25Å; R797-I820 CarbonylContact O-C 3.56Å; R797-I820 WeakPolarHBondContact O-CA 3.34Å; R797-Y821 PolarHBondContact O-N 2.73Å
798	H	92.5	Very high	86.1	Confident	44 Å²	44	36.7 Å²	36.7	20%	0.204	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	13	-172.2	-67.5	-63.2	0	0	0	114.4	W796 T815 D816 K819	W796-H798 PolarHBondContact O-N 2.96Å; H798-T815 WeakPolarHBondContact O-CA 3.35Å; H798-D816 PolarHBondContact O-N 2.9Å; H798-K819 PolarHBondContact ND1-O 3.45Å
799	G	90.8	Very high	85.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-178.4	179.8	0	0	0	0	0	115.2	W796 M814	W796-G799 PolarHBondContact N-O 3.44Å; W796-G799 PolarHBondContact O-N 3.3Å; W796-G799 VanDerWaalsContact O-N 3.08Å; G799-M814 CarbonylContact C-O 3.58Å; G799-M814 WeakPolarHBondContact CA-O 3.45Å
800	W	92.3	Very high	86.1	Confident	26 Å²	26	38.6 Å²	38.6	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.3	175	58.7	-91.2	0	0	0	110.9	F519 L793 A794 V795 W796 R802 D812 E813 M814 Y821	F519-W800 HydrophobicContact CD2-CH2 4.23Å; F519-W800 AromaticContact CD2-CZ2 3.83Å; F519-W800 HydrophobicContact CD2-CZ2 3.83Å; F519-W800 AromaticContact CE2-CD2 3.9Å; F519-W800 HydrophobicContact CE2-CD2 3.9Å; F519-W800 AromaticContact CE2-CE2 3.72Å; F519-W800 HydrophobicContact CE2-CE3 4.1Å; F519-W800 HydrophobicContact CE2-CH2 4.04Å; F519-W800 AromaticContact CE2-CZ2 3.82Å; F519-W800 HydrophobicContact CE2-CZ2 3.82Å; F519-W800 HydrophobicContact CE2-CZ3 4.17Å; L793-W800 HydrophobicContact CD1-CB 4.22Å; L793-W800 HydrophobicContact CD1-CD2 4.32Å; L793-W800 HydrophobicContact CD1-CE3 3.72Å; A794-W800 CarbonylContact O-C 3.58Å; A794-W800 VanDerWaalsContact O-CA 3.22Å; A794-W800 WeakPolarHBondContact O-CA 3.5Å; A794-W800 WeakPolarHBondContact O-CB 3.45Å; V795-W800 HydrophobicContact CG2-CB 4.08Å; W796-W800 VanDerWaalsContact CZ3-C 3.41Å; W796-W800 VanDerWaalsContact CZ3-CA 3.46Å; W800-R802 HydrophobicContact CZ3-CB 4.36Å; W800-D812 HydrophobicContact CH2-CB 4.11Å; W800-D812 HydrophobicContact CZ3-CB 3.82Å; W800-E813 WeakPolarHBondContact O-CA 3.4Å; W800-M814 HydrophobicContact CD2-CB 4.27Å; W800-M814 HydrophobicContact CZ2-CB 3.8Å; W800-M814 HydrophobicContact CZ2-CG 4.36Å; W800-M814 PolarHBondContact N-O 2.99Å; W800-M814 PolarHBondContact O-N 3.04Å; W800-Y821 AromaticContact CD1-CD1 3.95Å
801	Q	90.9	Very high	86.2	Confident	12 Å²	12	39.4 Å²	39.4	6%	0.056	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.3	-179.1	-168.8	-179.8	68.9	0	0	108.8	A794 W796 R803 V810 D812 E813	A794-Q801 PolarHBondContact N-O 3.01Å; A794-Q801 PolarHBondContact O-N 3.3Å; W796-Q801 HydrophobicContact CH2-CB 3.79Å; W796-Q801 HydrophobicContact CZ3-CB 3.63Å; Q801-R803 HydrophobicContact CG-CG 4.34Å; Q801-R803 VanDerWaalsContact OE1-CZ 3.25Å; Q801-V810 HydrophobicContact CG-CB 4.49Å; Q801-V810 HydrophobicContact CG-CG1 3.68Å; Q801-V810 HydrophobicContact CG-CG2 4.05Å; Q801-D812 CarbonylContact C-O 3.59Å; Q801-D812 WeakPolarHBondContact CA-O 3.21Å; Q801-E813 HydrophobicContact CB-CG 4.32Å; Q801-E813 HydrophobicContact CG-CB 4.29Å; Q801-E813 HydrophobicContact CG-CG 4.2Å; Q801-E813 PolarHBondContact NE2-OE2 2.97Å
802	R	88.8	Confident	86.1	Confident	35 Å²	35	41.7 Å²	41.7	13%	0.132	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.5	172	-166.6	172.3	70.5	126.4	-4.7	109.6	L792 W800 L811 D812	L792-R802 CarbonylContact O-C 3.57Å; L792-R802 VanDerWaalsContact O-CA 3.31Å; L792-R802 WeakPolarHBondContact O-CA 3.38Å; W800-R802 HydrophobicContact CZ3-CB 4.36Å; R802-L811 PolarHBondContact O-N 2.93Å; R802-D812 HydrophobicContact CB-CB 4.21Å; R802-D812 IonicContact CZ-OD2 3.34Å; R802-D812 PolarHBondContact N-O 2.97Å; R802-D812 IonicContact NE-OD2 3.16Å; R802-D812 PolarHBondContact NE-OD2 3.28Å; R802-D812 IonicContact NH2-OD2 2.7Å; R802-D812 PolarHBondContact NH2-OD2 3.14Å; R802-D812 PolarHBondContact O-N 2.87Å
803	R	88.1	Confident	86	Confident	25 Å²	25	46.4 Å²	46.4	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	158.6	179.1	-58.7	-159.8	-172.8	-173.5	4.1	112.9	T791 L792 Q801 F807 E809 V810	T791-R803 CarbonylContact C-O 3.59Å; T791-R803 VanDerWaalsContact CA-O 3.25Å; T791-R803 WeakPolarHBondContact CA-O 3.45Å; T791-R803 VanDerWaalsContact CB-O 3.23Å; T791-R803 WeakPolarHBondContact CB-O 3.43Å; L792-R803 PolarHBondContact N-O 3.12Å; L792-R803 PolarHBondContact O-N 2.96Å; Q801-R803 HydrophobicContact CG-CG 4.34Å; Q801-R803 VanDerWaalsContact OE1-CZ 3.25Å; R803-F807 WeakPolarHBondContact CD-O 3.33Å; R803-F807 PolarHBondContact NH1-O 2.75Å; R803-E809 CarbonylContact C-O 3.56Å; R803-E809 WeakPolarHBondContact CA-O 3.47Å; R803-E809 WeakPolarHBondContact CB-O 3.34Å; R803-V810 HydrophobicContact CG-CG2 4.3Å
804	T	82.2	Confident	85.7	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.135	23%	0.234	C	C	.	.			trans	-64.5	173.4	175.9	58.1	0	0	0	0	113.6	S806 F807 E809 L811	T804-S806 PolarHBondContact O-N 3.34Å; T804-S806 VanDerWaalsContact O-N 3.13Å; T804-S806 PolarHBondContact OG1-OG 2.96Å; T804-S806 VanDerWaalsContact OG1-OG 3.14Å; T804-F807 WeakPolarHBondContact O-CA 3.4Å; T804-F807 WeakPolarHBondContact O-CD1 3.29Å; T804-F807 PolarHBondContact O-N 3.43Å; T804-E809 HydrophobicContact CG2-CB 3.82Å; T804-E809 HydrophobicContact CG2-CG 4.07Å; T804-E809 PolarHBondContact N-O 2.95Å; T804-L811 HydrophobicContact CG2-CD1 4.06Å; T804-L811 HydrophobicContact CG2-CD2 3.66Å; T804-L811 HydrophobicContact CG2-CG 3.74Å
805	K	76.3	Confident	85.6	Confident	98 Å²	98	50.9 Å²	50.9	43%	0.426	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19	179	-165.9	170.6	-171.1	153.5	0	115.1	D790	D790-K805 HydrophobicContact CB-CB 4.35Å; D790-K805 HydrophobicContact CB-CD 3.95Å; D790-K805 HydrophobicContact CB-CG 4.26Å; D790-K805 VanDerWaalsContact CG-NZ 3.34Å; D790-K805 WeakPolarHBondContact O-CA 3.29Å; D790-K805 WeakPolarHBondContact O-CB 3.22Å; D790-K805 PolarHBondContact O-N 3.13Å; D790-K805 WeakPolarHBondContact OD1-CE 3.46Å; D790-K805 IonicContact OD1-NZ 2.7Å; D790-K805 PolarHBondContact OD1-NZ 3.03Å; D790-K805 IonicContact OD2-NZ 2.72Å
806	S	68.9	Low	85.4	Confident	50 Å²	50	52.4 Å²	52.4	35%	0.35	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.3	173.2	50.5	0	0	0	0	113.3	P773 T804 T808	P773-S806 WeakPolarHBondContact CD-O 3.23Å; T804-S806 PolarHBondContact O-N 3.34Å; T804-S806 VanDerWaalsContact O-N 3.13Å; T804-S806 PolarHBondContact OG1-OG 2.96Å; T804-S806 VanDerWaalsContact OG1-OG 3.14Å; S806-T808 PolarHBondContact O-N 3.43Å; S806-T808 PolarHBondContact OG-OG1 3.29Å
807	F	79.4	Confident	85.2	Confident	19 Å²	19	58.4 Å²	58.4	8%	0.083	29%	0.286	C	S	.	.	S	Bend	trans	58.8	5.4	-175.4	-39.5	-48.2	0	0	0	115.3	L750 V759 T776 Y787 L792 R803 T804	L750-F807 HydrophobicContact CD1-CE2 4.23Å; L750-F807 HydrophobicContact CD1-CZ 4.09Å; V759-F807 HydrophobicContact CG2-CE2 3.71Å; V759-F807 HydrophobicContact CG2-CZ 4.18Å; T776-F807 HydrophobicContact CG2-CB 3.9Å; T776-F807 WeakPolarHBondContact CG2-O 3.45Å; T776-F807 WeakPolarHBondContact OG1-CB 3.3Å; Y787-F807 HydrophobicContact CD2-CE1 4.02Å; Y787-F807 HydrophobicContact CD2-CZ 4.35Å; Y787-F807 AromaticContact CE2-CE1 3.86Å; Y787-F807 HydrophobicContact CE2-CE1 3.86Å; Y787-F807 HydrophobicContact CE2-CZ 4.17Å; L792-F807 HydrophobicContact CB-CD1 3.51Å; L792-F807 HydrophobicContact CB-CE1 3.69Å; L792-F807 HydrophobicContact CD2-CB 4.3Å; L792-F807 HydrophobicContact CD2-CD1 3.64Å; L792-F807 HydrophobicContact CD2-CE1 4.12Å; L792-F807 HydrophobicContact CD2-CG 3.97Å; L792-F807 HydrophobicContact CG-CD1 4.21Å; L792-F807 HydrophobicContact CG-CE1 4.42Å; R803-F807 WeakPolarHBondContact CD-O 3.33Å; R803-F807 PolarHBondContact NH1-O 2.75Å; T804-F807 WeakPolarHBondContact O-CA 3.4Å; T804-F807 WeakPolarHBondContact O-CD1 3.29Å; T804-F807 PolarHBondContact O-N 3.43Å
808	T	73.8	Confident	85.1	Confident	71 Å²	71	60.8 Å²	60.8	44%	0.436	30%	0.295	S	S	.	.			trans	-75.7	-47.5	177.3	49.5	0	0	0	0	112.6	P773 S806	P773-T808 HydrophobicContact CG-CG2 4.28Å; S806-T808 PolarHBondContact O-N 3.43Å; S806-T808 PolarHBondContact OG-OG1 3.29Å
809	E	81.9	Confident	84.9	Confident	122 Å²	122	60.2 Å²	60.2	57%	0.57	29%	0.292	S	S	*	.	S	Bend	trans	-104	130.5	-164.8	177.8	177.7	-154.4	0	0	109.9	R803 T804	R803-E809 CarbonylContact C-O 3.56Å; R803-E809 WeakPolarHBondContact CA-O 3.47Å; R803-E809 WeakPolarHBondContact CB-O 3.34Å; T804-E809 HydrophobicContact CG2-CB 3.82Å; T804-E809 HydrophobicContact CG2-CG 4.07Å; T804-E809 PolarHBondContact N-O 2.95Å
810	V	84.6	Confident	84.9	Confident	60 Å²	60	62.5 Å²	62.5	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.1	176.4	179.3	0	0	0	0	108.2	Q801 R803 E813	Q801-V810 HydrophobicContact CG-CB 4.49Å; Q801-V810 HydrophobicContact CG-CG1 3.68Å; Q801-V810 HydrophobicContact CG-CG2 4.05Å; R803-V810 HydrophobicContact CG-CG2 4.3Å; V810-E813 HydrophobicContact CG1-CB 4.03Å
811	L	84.3	Confident	84.9	Confident	75 Å²	75	61.5 Å²	61.5	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-46.2	176.1	-68.9	174	0	0	0	111	T791 R802 T804	T791-L811 HydrophobicContact CG2-CD1 3.59Å; R802-L811 PolarHBondContact O-N 2.93Å; T804-L811 HydrophobicContact CG2-CD1 4.06Å; T804-L811 HydrophobicContact CG2-CD2 3.66Å; T804-L811 HydrophobicContact CG2-CG 3.74Å
812	D	83.1	Confident	85	Confident	60 Å²	60	64.4 Å²	64.4	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.1	-176.7	-50.1	-89.5	0	0	0	108.7	W800 Q801 R802	W800-D812 HydrophobicContact CH2-CB 4.11Å; W800-D812 HydrophobicContact CZ3-CB 3.82Å; Q801-D812 CarbonylContact C-O 3.59Å; Q801-D812 WeakPolarHBondContact CA-O 3.21Å; R802-D812 HydrophobicContact CB-CB 4.21Å; R802-D812 IonicContact CZ-OD2 3.34Å; R802-D812 PolarHBondContact N-O 2.97Å; R802-D812 IonicContact NE-OD2 3.16Å; R802-D812 PolarHBondContact NE-OD2 3.28Å; R802-D812 IonicContact NH2-OD2 2.7Å; R802-D812 PolarHBondContact NH2-OD2 3.14Å; R802-D812 PolarHBondContact O-N 2.87Å
813	E	87.6	Confident	85.2	Confident	99 Å²	99	63.8 Å²	63.8	46%	0.463	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.2	174.1	-171.6	175	145.8	0	0	110.1	W796 W800 Q801 V810	W796-E813 HydrophobicContact CH2-CG 4.34Å; W800-E813 WeakPolarHBondContact O-CA 3.4Å; Q801-E813 HydrophobicContact CB-CG 4.32Å; Q801-E813 HydrophobicContact CG-CB 4.29Å; Q801-E813 HydrophobicContact CG-CG 4.2Å; Q801-E813 PolarHBondContact NE2-OE2 2.97Å; V810-E813 HydrophobicContact CG1-CB 4.03Å
814	M	86.5	Confident	85.4	Confident	42 Å²	42	62.8 Å²	62.8	21%	0.207	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	118	-178.9	-135.4	-58.6	-55.1	0	0	110.2	F346 G799 W800 D816 Y821	F346-M814 HydrophobicContact CE2-CE 4.15Å; F346-M814 HydrophobicContact CE2-CG 4.25Å; F346-M814 HydrophobicContact CE2-SD 4.16Å; F346-M814 HydrophobicContact CZ-CE 4.15Å; F346-M814 HydrophobicContact CZ-CG 4.06Å; F346-M814 HydrophobicContact CZ-SD 4.43Å; G799-M814 CarbonylContact C-O 3.58Å; G799-M814 WeakPolarHBondContact CA-O 3.45Å; W800-M814 HydrophobicContact CD2-CB 4.27Å; W800-M814 HydrophobicContact CZ2-CB 3.8Å; W800-M814 HydrophobicContact CZ2-CG 4.36Å; W800-M814 PolarHBondContact N-O 2.99Å; W800-M814 PolarHBondContact O-N 3.04Å; M814-D816 HydrophobicContact CE-CB 3.8Å; M814-Y821 HydrophobicContact CE-CE1 4.47Å; M814-Y821 HydrophobicContact CE-CE2 4.22Å; M814-Y821 WeakPolarHBondContact CE-OH 3.34Å
815	T	89.8	Confident	85.7	Confident	55 Å²	55	68 Å²	68	34%	0.337	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.8	179.7	-61.5	0	0	0	0	109.7	W796 H798	W796-T815 WeakPolarHBondContact CZ2-OG1 3.49Å; H798-T815 WeakPolarHBondContact O-CA 3.35Å
816	D	88.7	Confident	86.2	Confident	32 Å²	32	65.5 Å²	65.5	17%	0.171	32%	0.322	C	S	.	.			trans	-139.1	101.2	178.8	179.9	-1.2	0	0	0	110	H798 M814 R818 K819 Y821	H798-D816 PolarHBondContact O-N 2.9Å; M814-D816 HydrophobicContact CE-CB 3.8Å; D816-R818 PolarHBondContact O-N 3.04Å; D816-R818 VanDerWaalsContact O-N 3.11Å; D816-R818 VanDerWaalsContact OD1-CB 3.29Å; D816-R818 WeakPolarHBondContact OD1-CB 3.44Å; D816-R818 PolarHBondContact OD1-N 3.34Å; D816-K819 HydrophobicContact CB-CB 4.49Å; D816-K819 PolarHBondContact O-N 3.19Å; D816-K819 VanDerWaalsContact O-O 3.09Å; D816-K819 VanDerWaalsContact OD2-CD 3.24Å; D816-K819 WeakPolarHBondContact OD2-CD 3.39Å; D816-K819 VanDerWaalsContact OD2-CE 3.3Å; D816-K819 WeakPolarHBondContact OD2-CE 3.32Å; D816-K819 IonicContact OD2-NZ 2.77Å; D816-K819 PolarHBondContact OD2-NZ 3.1Å; D816-Y821 HydrophobicContact CB-CE2 4.28Å
817	H	88.6	Confident	86.7	Confident	140 Å²	140	66.1 Å²	66.1	65%	0.648	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.5	179.7	-62.2	-65.1	0	0	0	114.3	K819 V837	H817-K819 VanDerWaalsContact C-N 3.32Å; H817-V837 WeakPolarHBondContact O-CG2 3.33Å
818	R	87.5	Confident	86.8	Confident	190 Å²	190	70.7 Å²	70.7	72%	0.717	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.1	174.2	-57.3	178.7	175.4	-178.7	-2.7	112.4	D816 Q836 V837	D816-R818 PolarHBondContact O-N 3.04Å; D816-R818 VanDerWaalsContact O-N 3.11Å; D816-R818 VanDerWaalsContact OD1-CB 3.29Å; D816-R818 WeakPolarHBondContact OD1-CB 3.44Å; D816-R818 PolarHBondContact OD1-N 3.34Å; R818-Q836 WeakPolarHBondContact O-CA 3.32Å; R818-V837 PolarHBondContact O-N 3.24Å
819	K	88.6	Confident	87.5	Confident	31 Å²	31	70.4 Å²	70.4	14%	0.135	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.1	-179.3	-67.5	176.1	-170.3	123.7	0	111.1	H798 D816 H817 Y821 R835	H798-K819 PolarHBondContact ND1-O 3.45Å; D816-K819 HydrophobicContact CB-CB 4.49Å; D816-K819 PolarHBondContact O-N 3.19Å; D816-K819 VanDerWaalsContact O-O 3.09Å; D816-K819 VanDerWaalsContact OD2-CD 3.24Å; D816-K819 WeakPolarHBondContact OD2-CD 3.39Å; D816-K819 VanDerWaalsContact OD2-CE 3.3Å; D816-K819 WeakPolarHBondContact OD2-CE 3.32Å; D816-K819 IonicContact OD2-NZ 2.77Å; D816-K819 PolarHBondContact OD2-NZ 3.1Å; H817-K819 VanDerWaalsContact C-N 3.32Å; K819-Y821 HydrophobicContact CB-CD2 4.37Å; K819-Y821 HydrophobicContact CB-CE2 3.64Å; K819-Y821 WeakPolarHBondContact CD-OH 3.37Å; K819-R835 CarbonylContact C-O 3.56Å; K819-R835 VanDerWaalsContact CA-O 3.23Å; K819-R835 WeakPolarHBondContact CA-O 3.15Å
820	I	90.9	Very high	87.9	Confident	49 Å²	49	65.1 Å²	65.1	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.2	168.2	-57.5	-179.6	0	0	0	107.6	R797 T834 R835 V837	R797-I820 HydrophobicContact CG-CG2 4.25Å; R797-I820 CarbonylContact O-C 3.56Å; R797-I820 WeakPolarHBondContact O-CA 3.34Å; I820-T834 CarbonylContact O-C 3.55Å; I820-T834 VanDerWaalsContact O-CA 3.25Å; I820-T834 WeakPolarHBondContact O-CA 3.46Å; I820-R835 HydrophobicContact CB-CB 4.48Å; I820-R835 PolarHBondContact N-O 3.34Å; I820-R835 PolarHBondContact O-N 3Å; I820-V837 HydrophobicContact CD1-CG2 4.18Å; I820-V837 HydrophobicContact CG1-CG2 3.66Å
821	Y	92.9	Very high	88.3	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.3	178.1	-66.1	-91.2	0	0	0	109.7	R797 W800 M814 D816 K819 L832 T834	R797-Y821 PolarHBondContact O-N 2.73Å; W800-Y821 AromaticContact CD1-CD1 3.95Å; M814-Y821 HydrophobicContact CE-CE1 4.47Å; M814-Y821 HydrophobicContact CE-CE2 4.22Å; M814-Y821 WeakPolarHBondContact CE-OH 3.34Å; D816-Y821 HydrophobicContact CB-CE2 4.28Å; K819-Y821 HydrophobicContact CB-CD2 4.37Å; K819-Y821 HydrophobicContact CB-CE2 3.64Å; K819-Y821 WeakPolarHBondContact CD-OH 3.37Å; Y821-L832 HydrophobicContact CD1-CD1 4.47Å; Y821-L832 HydrophobicContact CD1-CD2 4.17Å; Y821-T834 HydrophobicContact CD1-CG2 3.58Å; Y821-T834 HydrophobicContact CE1-CG2 3.55Å
822	R	93.4	Very high	88.7	Confident	73 Å²	73	59.1 Å²	59.1	28%	0.275	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	130	176.5	-172.1	-175.6	66.7	102.9	-4.6	110.6	I530 E833	I530-R822 PolarHBondContact O-NH1 2.87Å; I530-R822 PolarHBondContact O-NH2 3.08Å; R822-E833 IonicContact CZ-OE2 2.75Å; R822-E833 VanDerWaalsContact CZ-OE2 3.24Å; R822-E833 PolarHBondContact N-O 2.95Å; R822-E833 IonicContact NE-OE2 2.6Å; R822-E833 PolarHBondContact NE-OE2 3.18Å; R822-E833 IonicContact NH2-OE1 3.79Å; R822-E833 IonicContact NH2-OE2 2.66Å; R822-E833 PolarHBondContact NH2-OE2 3.38Å; R822-E833 WeakPolarHBondContact O-CB 3.41Å; R822-E833 PolarHBondContact O-N 3.48Å
823	M	93.1	Very high	89.2	Confident	22 Å²	22	56.4 Å²	56.4	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.6	172.1	-166.4	141.9	51.7	0	0	109.9	S784 V786 L793 V795 V830	S784-M823 WeakPolarHBondContact OG-CB 3.15Å; S784-M823 WeakPolarHBondContact OG-CE 3.23Å; V786-M823 HydrophobicContact CB-CE 4.08Å; V786-M823 HydrophobicContact CB-SD 4.04Å; V786-M823 HydrophobicContact CG2-CE 3.64Å; V786-M823 HydrophobicContact CG2-SD 3.54Å; V786-M823 VanDerWaalsContact CG2-SD 3.54Å; L793-M823 HydrophobicContact CD2-SD 4.17Å; V795-M823 HydrophobicContact CG2-CB 4.48Å; V795-M823 HydrophobicContact CG2-CE 3.98Å; V795-M823 HydrophobicContact CG2-SD 4.27Å; M823-V830 HydrophobicContact SD-CG1 3.77Å
824	V	92.4	Very high	89.5	Confident	4 Å²	4	52 Å²	52	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.8	174.5	179.8	0	0	0	0	108.1	I530 S826 V831 E833	I530-V824 HydrophobicContact CG2-CG1 3.75Å; V824-S826 PolarHBondContact O-N 2.82Å; V824-V831 HydrophobicContact CB-CB 4.1Å; V824-V831 HydrophobicContact CB-CG1 4.12Å; V824-V831 HydrophobicContact CG2-CG1 4.2Å; V824-V831 PolarHBondContact N-O 2.86Å; V824-E833 HydrophobicContact CG2-CB 4.09Å
825	K	88.2	Confident	89.6	Confident	133 Å²	133	53 Å²	53	58%	0.578	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	130.7	177.1	-77.1	-156.9	170.3	-154.9	0	110.3	C532 S533 E686	C532-K825 CarbonylContact C-O 3.54Å; C532-K825 WeakPolarHBondContact CA-O 3.38Å; S533-K825 PolarHBondContact N-O 2.98Å; E686-K825 IonicContact OE1-NZ 3.91Å; E686-K825 PolarHBondContact OE1-NZ 3.03Å
826	S	86.4	Confident	89.5	Confident	44 Å²	44	56.2 Å²	56.2	31%	0.308	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.5	175.2	-167.4	0	0	0	0	112.3	S533 V824 M829	S533-S826 WeakPolarHBondContact O-CA 3.31Å; S533-S826 WeakPolarHBondContact O-CB 3.47Å; S533-S826 PolarHBondContact O-OG 3.19Å; V824-S826 PolarHBondContact O-N 2.82Å; S826-M829 WeakPolarHBondContact CB-O 3.08Å; S826-M829 PolarHBondContact OG-O 3.33Å
827	D	79.5	Confident	89.3	Confident	63 Å²	63	58.1 Å²	58.1	34%	0.337	27%	0.265	S	S	.	.	S	Bend	trans	-88.3	-19.6	177.9	65.8	-39.3	0	0	0	113.8	T534 Y578	T534-D827 VanDerWaalsContact CA-OD1 3.27Å; T534-D827 WeakPolarHBondContact CA-OD1 3.25Å; T534-D827 WeakPolarHBondContact CB-OD1 3.28Å; T534-D827 PolarHBondContact OG1-OD1 3.19Å; T534-D827 PolarHBondContact OG1-OD2 3.3Å; T534-D827 VanDerWaalsContact OG1-OD2 3.05Å; Y578-D827 HydrophobicContact CD2-CB 3.98Å; Y578-D827 VanDerWaalsContact CD2-OD2 3.3Å; Y578-D827 WeakPolarHBondContact CD2-OD2 3.47Å; Y578-D827 HydrophobicContact CE2-CB 4.32Å; Y578-D827 WeakPolarHBondContact CE2-OD2 3.31Å
828	R	80.9	Confident	88.7	Confident	115 Å²	115	59.6 Å²	59.6	43%	0.434	27%	0.273	S	S	.	.	S	Bend	trans	-138	-29.1	-166.2	-71.7	162.9	-166.2	-98.5	4.6	116.1	T535 T579	T535-R828 WeakPolarHBondContact OG1-CB 3.21Å; T535-R828 WeakPolarHBondContact OG1-CD 3.41Å; T579-R828 PolarHBondContact O-NH2 2.85Å
829	M	88.1	Confident	87.9	Confident	66 Å²	66	52.9 Å²	52.9	33%	0.325	25%	0.251	S	S	.	.	S	Bend	trans	-131.1	141.8	-174.1	-72.4	-68.1	-175.9	0	0	111	T535 S826 V831 L848	T535-M829 HydrophobicContact CG2-CB 4.39Å; T535-M829 HydrophobicContact CG2-CG 3.55Å; S826-M829 WeakPolarHBondContact CB-O 3.08Å; S826-M829 PolarHBondContact OG-O 3.33Å; M829-V831 HydrophobicContact CB-CG2 4.34Å; M829-V831 PolarHBondContact O-N 2.82Å; M829-L848 HydrophobicContact CB-CD2 4.49Å
830	V	90.7	Very high	86.6	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.067	29%	0.288	C	S	.	.			trans	-83.8	103.4	175.6	-164.6	0	0	0	0	109.2	V786 F788 L793 M823 L849	V786-V830 HydrophobicContact CG1-CG1 4.29Å; V786-V830 HydrophobicContact CG1-CG2 3.77Å; F788-V830 HydrophobicContact CB-CG2 4.42Å; F788-V830 HydrophobicContact CD2-CG2 3.72Å; F788-V830 HydrophobicContact CE2-CG2 4.23Å; F788-V830 HydrophobicContact CG-CG2 4.19Å; L793-V830 HydrophobicContact CD2-CG1 3.95Å; M823-V830 HydrophobicContact SD-CG1 3.77Å; V830-L849 HydrophobicContact CB-CB 3.74Å; V830-L849 HydrophobicContact CB-CD2 4.04Å; V830-L849 HydrophobicContact CG1-CB 4.36Å; V830-L849 HydrophobicContact CG1-CD2 4.24Å; V830-L849 HydrophobicContact CG2-CB 4.34Å; V830-L849 HydrophobicContact CG2-CD2 3.99Å; V830-L849 PolarHBondContact O-N 3.5Å
831	V	93.1	Very high	85.5	Confident	3 Å²	3	65 Å²	65	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.9	-178.3	-175.3	0	0	0	0	109.8	L546 V824 M829 Y847 L848	L546-V831 HydrophobicContact CD1-CG2 4.16Å; V824-V831 HydrophobicContact CB-CB 4.1Å; V824-V831 HydrophobicContact CB-CG1 4.12Å; V824-V831 HydrophobicContact CG2-CG1 4.2Å; V824-V831 PolarHBondContact N-O 2.86Å; M829-V831 HydrophobicContact CB-CG2 4.34Å; M829-V831 PolarHBondContact O-N 2.82Å; V831-Y847 WeakPolarHBondContact CA-O 3.39Å; V831-L848 HydrophobicContact CG2-CD2 3.75Å
832	L	93.6	Very high	84.6	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.5	177	-177.6	67.4	0	0	0	110.3	F519 V795 Y821 T834 Y847	F519-L832 HydrophobicContact CD1-CB 4.02Å; F519-L832 HydrophobicContact CD1-CD2 3.89Å; F519-L832 HydrophobicContact CD2-CD2 4.25Å; F519-L832 HydrophobicContact CE1-CB 3.68Å; F519-L832 HydrophobicContact CE1-CD2 3.66Å; F519-L832 HydrophobicContact CE1-CG 4.29Å; F519-L832 HydrophobicContact CE2-CD2 4.04Å; F519-L832 HydrophobicContact CG-CD2 4.17Å; F519-L832 HydrophobicContact CZ-CB 4.43Å; F519-L832 HydrophobicContact CZ-CD2 3.73Å; V795-L832 HydrophobicContact CG1-CD1 4.21Å; Y821-L832 HydrophobicContact CD1-CD1 4.47Å; Y821-L832 HydrophobicContact CD1-CD2 4.17Å; L832-T834 HydrophobicContact CD2-CG2 4.45Å; L832-T834 HydrophobicContact CG-CG2 4.36Å; L832-Y847 PolarHBondContact N-O 3.49Å; L832-Y847 PolarHBondContact O-N 2.91Å
833	E	93.8	Very high	84.3	Confident	3 Å²	3	64.6 Å²	64.6	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.8	169.4	-175.3	-178	-139	0	0	110.2	R822 V824 R835 S844 N845 L846	R822-E833 IonicContact CZ-OE2 2.75Å; R822-E833 VanDerWaalsContact CZ-OE2 3.24Å; R822-E833 PolarHBondContact N-O 2.95Å; R822-E833 IonicContact NE-OE2 2.6Å; R822-E833 PolarHBondContact NE-OE2 3.18Å; R822-E833 IonicContact NH2-OE1 3.79Å; R822-E833 IonicContact NH2-OE2 2.66Å; R822-E833 PolarHBondContact NH2-OE2 3.38Å; R822-E833 WeakPolarHBondContact O-CB 3.41Å; R822-E833 PolarHBondContact O-N 3.48Å; V824-E833 HydrophobicContact CG2-CB 4.09Å; E833-R835 IonicContact OE1-CZ 3.78Å; E833-R835 IonicContact OE1-NE 3.26Å; E833-R835 PolarHBondContact OE1-NE 2.77Å; E833-R835 VanDerWaalsContact OE1-NE 3.16Å; E833-R835 IonicContact OE1-NH2 2.61Å; E833-R835 PolarHBondContact OE1-NH2 3.39Å; E833-R835 IonicContact OE2-CZ 2.64Å; E833-R835 IonicContact OE2-NE 2.83Å; E833-R835 PolarHBondContact OE2-NE 3.49Å; E833-R835 IonicContact OE2-NH2 3.68Å; E833-S844 WeakPolarHBondContact OE1-CB 3.35Å; E833-S844 PolarHBondContact OE1-OG 3.48Å; E833-N845 CarbonylContact C-O 3.52Å; E833-N845 WeakPolarHBondContact CA-O 3.22Å; E833-L846 HydrophobicContact CB-CD2 4.15Å; E833-L846 HydrophobicContact CG-CD2 4.12Å
834	T	92.7	Very high	84.2	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.8	168.8	81	0	0	0	0	112.6	I820 Y821 L832 S844 N845 Y847	I820-T834 CarbonylContact O-C 3.55Å; I820-T834 VanDerWaalsContact O-CA 3.25Å; I820-T834 WeakPolarHBondContact O-CA 3.46Å; Y821-T834 HydrophobicContact CD1-CG2 3.58Å; Y821-T834 HydrophobicContact CE1-CG2 3.55Å; L832-T834 HydrophobicContact CD2-CG2 4.45Å; L832-T834 HydrophobicContact CG-CG2 4.36Å; T834-S844 WeakPolarHBondContact O-CA 3.21Å; T834-N845 PolarHBondContact N-O 2.89Å; T834-N845 PolarHBondContact O-N 2.52Å; T834-N845 PolarHBondContact O-ND2 3.15Å; T834-Y847 HydrophobicContact CG2-CD2 4Å; T834-Y847 HydrophobicContact CG2-CE2 3.6Å; T834-Y847 WeakPolarHBondContact OG1-CE2 3.12Å
835	R	89.7	Confident	84.1	Confident	63 Å²	63	64.6 Å²	64.6	24%	0.238	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	161.3	173.4	-60.5	176.2	-174	-129.2	-5.4	109.9	K819 I820 E833 G842	K819-R835 CarbonylContact C-O 3.56Å; K819-R835 VanDerWaalsContact CA-O 3.23Å; K819-R835 WeakPolarHBondContact CA-O 3.15Å; I820-R835 HydrophobicContact CB-CB 4.48Å; I820-R835 PolarHBondContact N-O 3.34Å; I820-R835 PolarHBondContact O-N 3Å; E833-R835 IonicContact OE1-CZ 3.78Å; E833-R835 IonicContact OE1-NE 3.26Å; E833-R835 PolarHBondContact OE1-NE 2.77Å; E833-R835 VanDerWaalsContact OE1-NE 3.16Å; E833-R835 IonicContact OE1-NH2 2.61Å; E833-R835 PolarHBondContact OE1-NH2 3.39Å; E833-R835 IonicContact OE2-CZ 2.64Å; E833-R835 IonicContact OE2-NE 2.83Å; E833-R835 PolarHBondContact OE2-NE 3.49Å; E833-R835 IonicContact OE2-NH2 3.68Å; R835-G842 PolarHBondContact NH1-O 3.26Å
836	Q	87	Confident	84.4	Confident	123 Å²	123	58.3 Å²	58.3	58%	0.575	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	150	165.9	-68.9	-171.5	5.6	0	0	110.1	R818 E838 D839	R818-Q836 WeakPolarHBondContact O-CA 3.32Å; Q836-E838 VanDerWaalsContact C-N 3.35Å; Q836-D839 HydrophobicContact CB-CB 4.07Å
837	V	83.5	Confident	84.6	Confident	73 Å²	73	57.9 Å²	57.9	44%	0.442	29%	0.286	S	S	.	.	S	Bend	trans	-70.2	-31.7	-179.9	171.7	0	0	0	0	112.3	H817 R818 I820	H817-V837 WeakPolarHBondContact O-CG2 3.33Å; R818-V837 PolarHBondContact O-N 3.24Å; I820-V837 HydrophobicContact CD1-CG2 4.18Å; I820-V837 HydrophobicContact CG1-CG2 3.66Å
838	E	76.8	Confident	85.1	Confident	171 Å²	171	55 Å²	55	80%	0.799	27%	0.27	S	S	*	.	S	Bend	trans	-95.2	-2	-176	-64	176.1	-177	0	0	113.5	Q836 Q840	Q836-E838 VanDerWaalsContact C-N 3.35Å; E838-Q840 PolarHBondContact O-N 3.45Å; E838-Q840 VanDerWaalsContact O-N 3.16Å
839	D	70.9	Confident	85.5	Confident	48 Å²	48	50.1 Å²	50.1	26%	0.257	25%	0.253	S	S	.	.			trans	-77.1	103.9	-175.5	179.2	26.3	0	0	0	112.8	Q836 L841 G842 L843	Q836-D839 HydrophobicContact CB-CB 4.07Å; D839-L841 PolarHBondContact O-N 3.4Å; D839-L841 VanDerWaalsContact OD1-CB 3.29Å; D839-L841 WeakPolarHBondContact OD1-CB 3.39Å; D839-L841 PolarHBondContact OD1-N 3.08Å; D839-G842 PolarHBondContact O-N 3.01Å; D839-G842 PolarHBondContact OD2-N 3.2Å; D839-L843 WeakPolarHBondContact OD2-CB 3.39Å; D839-L843 PolarHBondContact OD2-N 3.17Å
840	Q	61.3	Low	85.3	Confident	196 Å²	196	49.6 Å²	49.6	92%	0.916	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.3	175.9	-59	-177.2	16	0	0	113.6	E838 G842	E838-Q840 PolarHBondContact O-N 3.45Å; E838-Q840 VanDerWaalsContact O-N 3.16Å; Q840-G842 VanDerWaalsContact C-N 3.32Å
841	L	67.5	Low	84.8	Confident	138 Å²	138	50.7 Å²	50.7	72%	0.723	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.6	174.4	-56.3	173.7	0	0	0	112.2	D839 L843	D839-L841 PolarHBondContact O-N 3.4Å; D839-L841 VanDerWaalsContact OD1-CB 3.29Å; D839-L841 WeakPolarHBondContact OD1-CB 3.39Å; D839-L841 PolarHBondContact OD1-N 3.08Å; L841-L843 HydrophobicContact CB-CD1 4.1Å; L841-L843 HydrophobicContact CB-CG 3.85Å; L841-L843 HydrophobicContact CD1-CD1 4.16Å; L841-L843 PolarHBondContact O-N 2.88Å
842	G	74.9	Confident	83.6	Confident	29 Å²	29	50.9 Å²	50.9	30%	0.299	26%	0.258	S	S	.	.			trans	67.6	17.5	176.1	0	0	0	0	0	115.1	R835 D839 Q840	R835-G842 PolarHBondContact NH1-O 3.26Å; D839-G842 PolarHBondContact O-N 3.01Å; D839-G842 PolarHBondContact OD2-N 3.2Å; Q840-G842 VanDerWaalsContact C-N 3.32Å
843	L	86.6	Confident	81.5	Confident	41 Å²	41	57.8 Å²	57.8	22%	0.215	29%	0.29	C	S	.	.			trans	-70.7	144.6	-172.9	-61.8	175.5	0	0	0	111.7	I331 C526 P527 D839 L841	I331-L843 HydrophobicContact CD1-CD1 3.88Å; C526-L843 WeakPolarHBondContact O-CA 3.35Å; P527-L843 HydrophobicContact CB-CD2 3.9Å; D839-L843 WeakPolarHBondContact OD2-CB 3.39Å; D839-L843 PolarHBondContact OD2-N 3.17Å; L841-L843 HydrophobicContact CB-CD1 4.1Å; L841-L843 HydrophobicContact CB-CG 3.85Å; L841-L843 HydrophobicContact CD1-CD1 4.16Å; L841-L843 PolarHBondContact O-N 2.88Å
844	S	90.1	Very high	79	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	160.4	179.5	81.4	0	0	0	0	114.2	G525 C526 E833 T834	G525-S844 PolarHBondContact N-O 3.43Å; G525-S844 VanDerWaalsContact N-O 3.07Å; C526-S844 PolarHBondContact N-O 3.4Å; C526-S844 PolarHBondContact O-N 3.38Å; E833-S844 WeakPolarHBondContact OE1-CB 3.35Å; E833-S844 PolarHBondContact OE1-OG 3.48Å; T834-S844 WeakPolarHBondContact O-CA 3.21Å
845	N	91.7	Very high	76.6	Confident	25 Å²	25	70.2 Å²	70.2	13%	0.134	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.6	171.4	-58.7	-87.8	0	0	0	108.1	K521 F523 H524 E833 T834 Y847	K521-N845 WeakPolarHBondContact CE-OD1 3.32Å; K521-N845 PolarHBondContact NZ-OD1 3.21Å; K521-N845 VanDerWaalsContact NZ-OD1 3.1Å; F523-N845 WeakPolarHBondContact O-CA 3.41Å; H524-N845 PolarHBondContact ND1-OD1 3.45Å; E833-N845 CarbonylContact C-O 3.52Å; E833-N845 WeakPolarHBondContact CA-O 3.22Å; T834-N845 PolarHBondContact N-O 2.89Å; T834-N845 PolarHBondContact O-N 2.52Å; T834-N845 PolarHBondContact O-ND2 3.15Å; N845-Y847 HydrophobicContact CB-CD2 4.48Å; N845-Y847 HydrophobicContact CB-CE2 3.57Å
846	L	92.9	Very high	73.9	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.4	179.7	-55.7	-179.4	0	0	0	110	I522 F523 I530 M548 M566 E833	I522-L846 HydrophobicContact CD1-CB 4.14Å; I522-L846 HydrophobicContact CG1-CB 3.9Å; I522-L846 WeakPolarHBondContact CG1-O 3.18Å; I522-L846 PolarHBondContact N-O 2.86Å; F523-L846 HydrophobicContact CB-CB 4.07Å; F523-L846 HydrophobicContact CB-CD1 4.2Å; F523-L846 HydrophobicContact CB-CG 4.25Å; F523-L846 PolarHBondContact N-O 3.35Å; F523-L846 PolarHBondContact O-N 2.95Å; I530-L846 HydrophobicContact CD1-CD1 3.62Å; I530-L846 HydrophobicContact CD1-CD2 4.02Å; I530-L846 HydrophobicContact CD1-CG 4.43Å; M548-L846 HydrophobicContact SD-CD1 3.87Å; M566-L846 HydrophobicContact CE-CD1 3.49Å; M566-L846 VanDerWaalsContact CE-CD1 3.49Å; E833-L846 HydrophobicContact CB-CD2 4.15Å; E833-L846 HydrophobicContact CG-CD2 4.12Å
847	Y	91.7	Very high	71.1	Confident	36 Å²	36	74.5 Å²	74.5	14%	0.141	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.7	178	-53.6	-105.8	0	0	0	109.9	F519 K520 K521 V831 L832 T834 N845	F519-Y847 HydrophobicContact CB-CD1 4.27Å; F519-Y847 HydrophobicContact CB-CG 4.44Å; K520-Y847 CarbonylContact O-C 3.54Å; K520-Y847 WeakPolarHBondContact O-CA 3.48Å; K521-Y847 HydrophobicContact CB-CD1 3.65Å; K521-Y847 HydrophobicContact CB-CE1 3.55Å; K521-Y847 HydrophobicContact CD-CE1 3.96Å; K521-Y847 HydrophobicContact CG-CD1 3.97Å; K521-Y847 HydrophobicContact CG-CE1 3.58Å; V831-Y847 WeakPolarHBondContact CA-O 3.39Å; L832-Y847 PolarHBondContact N-O 3.49Å; L832-Y847 PolarHBondContact O-N 2.91Å; T834-Y847 HydrophobicContact CG2-CD2 4Å; T834-Y847 HydrophobicContact CG2-CE2 3.6Å; T834-Y847 WeakPolarHBondContact OG1-CE2 3.12Å; N845-Y847 HydrophobicContact CB-CD2 4.48Å; N845-Y847 HydrophobicContact CB-CE2 3.57Å
848	L	90.8	Very high	68.5	Low	3 Å²	3	77.4 Å²	77.4	2%	0.016	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.1	165.5	-62	-177.5	0	0	0	109.5	F519 K520 I522 L559 M829 V831 E850	F519-L848 CarbonylContact C-O 3.52Å; F519-L848 WeakPolarHBondContact CA-O 3.49Å; K520-L848 PolarHBondContact N-O 3.16Å; K520-L848 PolarHBondContact O-N 3.12Å; I522-L848 HydrophobicContact CD1-CD1 4.3Å; I522-L848 HydrophobicContact CD1-CD2 3.87Å; I522-L848 HydrophobicContact CD1-CG 3.77Å; I522-L848 HydrophobicContact CG1-CG 4.14Å; I522-L848 HydrophobicContact CG2-CB 4.43Å; I522-L848 HydrophobicContact CG2-CD1 3.82Å; I522-L848 HydrophobicContact CG2-CG 3.76Å; L559-L848 HydrophobicContact CD1-CD1 3.9Å; L559-L848 HydrophobicContact CD2-CD1 4.07Å; M829-L848 HydrophobicContact CB-CD2 4.49Å; V831-L848 HydrophobicContact CG2-CD2 3.75Å; L848-E850 PolarHBondContact O-N 2.95Å
849	L	88.4	Confident	66.5	Low	11 Å²	11	78.7 Å²	78.7	6%	0.058	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.8	165	-165.8	67.4	0	0	0	108.7	V517 F519 F788 V830	V517-L849 HydrophobicContact CG1-CD1 3.53Å; V517-L849 HydrophobicContact CG1-CD2 4.07Å; V517-L849 HydrophobicContact CG1-CG 3.5Å; F519-L849 HydrophobicContact CD1-CB 4.35Å; F519-L849 HydrophobicContact CD1-CD1 4.02Å; F519-L849 HydrophobicContact CD2-CD1 4.27Å; F519-L849 HydrophobicContact CE1-CB 4.07Å; F519-L849 HydrophobicContact CE1-CD1 3.74Å; F519-L849 HydrophobicContact CE1-CG 4.45Å; F519-L849 HydrophobicContact CE2-CD1 4.01Å; F519-L849 HydrophobicContact CG-CD1 4.28Å; F519-L849 HydrophobicContact CZ-CD1 3.75Å; F788-L849 HydrophobicContact CB-CD2 4.3Å; F788-L849 HydrophobicContact CD1-CD2 3.52Å; F788-L849 HydrophobicContact CD1-CG 4.26Å; F788-L849 HydrophobicContact CE1-CD2 3.88Å; F788-L849 HydrophobicContact CE1-CG 4.13Å; F788-L849 HydrophobicContact CG-CD2 3.87Å; V830-L849 HydrophobicContact CB-CB 3.74Å; V830-L849 HydrophobicContact CB-CD2 4.04Å; V830-L849 HydrophobicContact CG1-CB 4.36Å; V830-L849 HydrophobicContact CG1-CD2 4.24Å; V830-L849 HydrophobicContact CG2-CB 4.34Å; V830-L849 HydrophobicContact CG2-CD2 3.99Å; V830-L849 PolarHBondContact O-N 3.5Å
850	E	84.1	Confident	66.3	Low	55 Å²	55	80.3 Å²	80.3	26%	0.257	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.1	177	-78.8	-172.6	-167.4	0	0	111.7	V517 Y518 K520 L848	V517-E850 WeakPolarHBondContact CA-O 3.49Å; V517-E850 WeakPolarHBondContact CG1-O 3.39Å; Y518-E850 HydrophobicContact CD1-CB 4.48Å; Y518-E850 VanDerWaalsContact CD1-O 3.22Å; Y518-E850 WeakPolarHBondContact CD1-O 3.2Å; Y518-E850 HydrophobicContact CE1-CB 3.82Å; Y518-E850 PolarHBondContact N-O 3.07Å; Y518-E850 PolarHBondContact O-N 3.15Å; Y518-E850 PolarHBondContact OH-OE2 2.81Å; K520-E850 HydrophobicContact CD-CG 4.27Å; K520-E850 VanDerWaalsContact CD-OE1 3.22Å; K520-E850 WeakPolarHBondContact CD-OE1 3.49Å; K520-E850 WeakPolarHBondContact CD-OE2 3.35Å; K520-E850 WeakPolarHBondContact CE-OE1 3.41Å; K520-E850 IonicContact NZ-OE1 3.66Å; K520-E850 PolarHBondContact NZ-OE1 3.39Å; K520-E850 IonicContact NZ-OE2 2.73Å; K520-E850 PolarHBondContact NZ-OE2 3.36Å; L848-E850 PolarHBondContact O-N 2.95Å
851	V	79.6	Confident	66.6	Low	34 Å²	34	74.2 Å²	74.2	21%	0.206	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.8	173.1	-175.5	0	0	0	0	108.7	P515 V517 F788 E789 E853	P515-V851 HydrophobicContact CB-CG1 3.86Å; P515-V851 HydrophobicContact CG-CG1 3.42Å; P515-V851 VanDerWaalsContact CG-CG1 3.42Å; V517-V851 HydrophobicContact CG2-CG2 4.44Å; F788-V851 HydrophobicContact CE1-CG2 3.84Å; F788-V851 HydrophobicContact CZ-CG2 3.97Å; E789-V851 HydrophobicContact CG-CG2 3.85Å; V851-E853 HydrophobicContact CB-CG 4.02Å; V851-E853 HydrophobicContact CG1-CG 3.7Å; V851-E853 PolarHBondContact O-N 2.77Å
852	A	67.6	Low	66.5	Low	8 Å²	8	70.6 Å²	70.6	7%	0.066	38%	0.384	C	S	.	.			trans	-80.9	57.8	-178.6	0	0	0	0	0	112.7	P515 P516 Y518 N854 Y855	P515-A852 WeakPolarHBondContact CB-O 3.24Å; P516-A852 HydrophobicContact CG-CB 3.8Å; P516-A852 WeakPolarHBondContact O-CB 3.37Å; P516-A852 PolarHBondContact O-N 2.63Å; Y518-A852 HydrophobicContact CD1-CB 4.22Å; Y518-A852 HydrophobicContact CE1-CB 4.13Å; A852-N854 PolarHBondContact O-N 2.93Å; A852-N854 VanDerWaalsContact O-N 3.12Å; A852-Y855 HydrophobicContact CB-CD2 4.01Å; A852-Y855 HydrophobicContact CB-CE2 4.45Å
853	E	50.9	Low	66	Low	149 Å²	149	73.1 Å²	73.1	70%	0.696	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.1	-171.9	-61	-173	144.3	0	0	115.1	V851	V851-E853 HydrophobicContact CB-CG 4.02Å; V851-E853 HydrophobicContact CG1-CG 3.7Å; V851-E853 PolarHBondContact O-N 2.77Å
854	N	40.7	Very low	64.8	Low	145 Å²	145	75.1 Å²	75.1	78%	0.775	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	54.2	-169.3	-78.6	-81.1	0	0	0	113.6	A852	A852-N854 PolarHBondContact O-N 2.93Å; A852-N854 VanDerWaalsContact O-N 3.12Å
855	Y	42.7	Very low	63.1	Low	125 Å²	125	80.1 Å²	80.1	49%	0.49	43%	0.426	S	S	.	.			trans	-127.9	115.4	169.2	-70.2	-83.4	0	0	0	112.1	A852	A852-Y855 HydrophobicContact CB-CD2 4.01Å; A852-Y855 HydrophobicContact CB-CE2 4.45Å
856	V	32.8	Very low	61	Low	133 Å²	133	84 Å²	84	81%	0.806	45%	0.447	S	S	*	.			trans	-76.6	126	165.8	178.4	0	0	0	0	108.1	L858	V856-L858 PolarHBondContact O-N 3.05Å
857	L	27.3	Very low	58.6	Low	143 Å²	143	90.4 Å²	90.4	75%	0.749	48%	0.481	S	S	*	.			trans	-62.7	113	165.5	-81.5	160.6	0	0	0	108.7
858	L	28.6	Very low	55.8	Low	135 Å²	135	94.9 Å²	94.9	71%	0.707	51%	0.509	S	S	*	.			trans	-73.4	147.9	164	-77.1	168.2	0	0	0	109.4	V856	V856-L858 PolarHBondContact O-N 3.05Å
859	P	36.3	Very low	52.6	Low	198 Å²	198	103.3 Å²	103.3	100%	1.286	55%	0.554	S	S	*	*			trans	-64.9	0	-176.5	-21.3	34.2	0	0	0	115

Retrieved 859 of 859 residues in 598.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).