A0A087YIJ0_POEFO Loading...

ADAM metallopeptidase with thrombospondin type 1 motif 18

AlphaFold DB , UniProt , Accession A0A087YIJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 946 aa.

						>A0A087YIJ0_POEFO|A0A087YIJ0
GLCWLITNHYVFVTPVEVNSDGTYLTHDVTRRGRRSRRSLSLSLHYRLSAFGQDMHLDLLPSSVVGPGFTVQTVGSDDISTVKGDEGLHHCLYQGFIRNMSSSSAAISTCSGLAGLIRVSNEEYLISPLPQHLADRHNYSAPYGHHPHVVYKRSAEHVVHRRSSSAENPYLSRHHHQAQTHHDYQHGKLQRQHFCGRRKQYAPQPPVGDLFFLPDEFAAPEVEEPGRARRSPINSNRVGGLNVETLVVADRKMLEKHGRENVTTYVLTVMNMVSSLFKDGTIGSDINIVVVSLLLLEHDALGLNINHHADQSLNSFCQWQSGLVGKGGKRHDHAVLLTGLDICSWKNEPCDTLVLEGFAPISGMCSKYRSCTINEDTGLGLAFTIAHESGHNFGMIHDGEGNPCRKTEGNIMSPTLAGNNGVFSWSTCSRQYLSRFLGTAQASCLGDEPKQIGQYKYPEQLPGQLYDADTQCKWQFGSQAKLCGLDFVKDICKSLWCHRVGHRCETKFMPAAEGTTCGPDMWCRRGQCVKYGEHGPRAVHGQWSAWSQWSNCSRTCGGGVMFRERSCTNPRPQNNGKFCPGSTRLNQLCNTRPCPSKALDFRAQQCAEYNSKPFRGWYYKWKPYTKVDEEDICKLYCIAEDFDFFFAMSSKVKDGTSCSDHREGVCIDGVCEAVGCDRLLGSKASLDACGVCKGDNSTCKFFKGQYTLQHRANEYYSMVTVPAGARGIHVQEMEVSTSYLAVRSLKKKYYLTGDWTVDWPGRFYFGGTVFDYQRSFNKPESLYAVGPTNETLVFEILLQGKNPGVVWEYTLPRTEKKPEYSWGVVRSDCSAPCAGGRISSKAICLQDHRTQANSSMCNPHTRPALGSHLCNTQPCPAYWAPGDWGPCSRSCGGGQQTRTLRCMRKVTYQRDEAAAHSLCPVISPAQIQPCHTQACPPEWSSGSWSQ
					

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	G	30.6	Very low	49.5	Very low	135 Å²	135	102.7 Å²	102.7	100%	1.392	59%	0.594	S	S	*	*				0	120.7	0	0	0	0	0	0	108.1
2	L	29.3	Very low	52.3	Low	166 Å²	166	97 Å²	97	87%	0.869	56%	0.557	S	S	*	*			trans	-120.8	124.3	177.5	-87	151.3	0	0	0	107.6	W4	L2-W4 PolarHBondContact O-N 2.04Å
3	C	27.6	Very low	54.7	Low	133 Å²	133	89.9 Å²	89.9	90%	0.899	52%	0.517	S	S	*	.			trans	-62.1	117	-175.8	-107.6	0	0	0	0	111.2	L5	C3-L5 PolarHBondContact O-N 3.49Å
4	W	35.8	Very low	56.5	Low	153 Å²	153	86.8 Å²	86.8	58%	0.58	50%	0.5	S	S	*	.			trans	-76	104.6	165.3	-67.5	89	0	0	0	108.5	L2 I6 V11 F12	L2-W4 PolarHBondContact O-N 2.04Å; W4-I6 HydrophobicContact CB-CD1 4.49Å; W4-I6 HydrophobicContact CB-CG1 4.02Å; W4-I6 PolarHBondContact O-N 2.81Å; W4-V11 HydrophobicContact CE3-CG1 3.82Å; W4-V11 HydrophobicContact CZ3-CG1 3.61Å; W4-F12 WeakPolarHBondContact CZ3-O 3.07Å
5	L	39.5	Very low	58.3	Low	129 Å²	129	81.1 Å²	81.1	68%	0.675	47%	0.467	S	S	*	.			trans	-71.1	84.9	163.5	-88.8	155	0	0	0	108	C3 T7	C3-L5 PolarHBondContact O-N 3.49Å; L5-T7 PolarHBondContact O-N 3.2Å
6	I	40.6	Very low	59.9	Low	114 Å²	114	77.6 Å²	77.6	59%	0.585	45%	0.447	S	S	*	.			trans	-76.4	103.1	173	-59	172.8	0	0	0	107.1	W4	W4-I6 HydrophobicContact CB-CD1 4.49Å; W4-I6 HydrophobicContact CB-CG1 4.02Å; W4-I6 PolarHBondContact O-N 2.81Å
7	T	53.7	Low	61.2	Low	43 Å²	43	73.8 Å²	73.8	26%	0.264	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-84.4	142	152.3	68.8	0	0	0	0	107.1	L5 H9 Y10	L5-T7 PolarHBondContact O-N 3.2Å; T7-H9 PolarHBondContact O-N 2.95Å; T7-Y10 HydrophobicContact CG2-CE1 4.4Å; T7-Y10 WeakPolarHBondContact OG1-CD1 3.05Å; T7-Y10 WeakPolarHBondContact OG1-CE1 3.34Å; T7-Y10 PolarHBondContact OG1-N 3.18Å; T7-Y10 PolarHBondContact OG1-O 2.85Å
8	N	59.4	Low	62.4	Low	129 Å²	129	69.9 Å²	69.9	69%	0.69	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-0.9	-177.1	-82.3	-16.6	0	0	0	114.8
9	H	65.6	Low	63.3	Low	99 Å²	99	69.9 Å²	69.9	46%	0.458	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-24.7	-168.9	-60.5	-69	0	0	0	114.7	T7 Y151 K152 S154 A155	T7-H9 PolarHBondContact O-N 2.95Å; H9-Y151 WeakPolarHBondContact O-CA 3.45Å; H9-K152 PolarHBondContact O-N 2.85Å; H9-S154 PolarHBondContact ND1-OG 3.46Å; H9-A155 HydrophobicContact CB-CB 3.78Å; H9-A155 WeakPolarHBondContact O-CB 3.43Å
10	Y	79.4	Confident	63.9	Low	24 Å²	24	69.7 Å²	69.7	9%	0.094	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	152.2	174.9	64.5	-88.5	0	0	0	113.3	T7 F12 L133 H137 V149 V150 Y151 A155 V158	T7-Y10 HydrophobicContact CG2-CE1 4.4Å; T7-Y10 WeakPolarHBondContact OG1-CD1 3.05Å; T7-Y10 WeakPolarHBondContact OG1-CE1 3.34Å; T7-Y10 PolarHBondContact OG1-N 3.18Å; T7-Y10 PolarHBondContact OG1-O 2.85Å; Y10-F12 AromaticContact CD2-CE1 3.94Å; Y10-F12 HydrophobicContact CD2-CE1 3.94Å; Y10-F12 HydrophobicContact CD2-CZ 4.45Å; Y10-F12 AromaticContact CE2-CE1 3.97Å; Y10-F12 HydrophobicContact CE2-CE1 3.97Å; Y10-F12 HydrophobicContact CE2-CZ 4.03Å; Y10-L133 HydrophobicContact CE2-CD2 4.43Å; Y10-H137 AromaticContact CE2-NE2 3.93Å; Y10-H137 AromaticContact CZ-NE2 3.8Å; Y10-H137 PolarHBondContact OH-NE2 2.89Å; Y10-V149 HydrophobicContact CD2-CG2 4.1Å; Y10-V149 HydrophobicContact CG-CG2 4.43Å; Y10-V150 CarbonylContact C-O 3.6Å; Y10-V150 WeakPolarHBondContact CA-O 3.36Å; Y10-Y151 VanDerWaalsContact CB-CB 3.45Å; Y10-A155 HydrophobicContact CD1-CB 4.48Å; Y10-V158 HydrophobicContact CE1-CG1 4.42Å
11	V	82.7	Confident	64.4	Low	5 Å²	5	72.8 Å²	72.8	3%	0.03	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.2	-178	174.7	0	0	0	0	110.1	W4 V13 F51 V149 V150	W4-V11 HydrophobicContact CE3-CG1 3.82Å; W4-V11 HydrophobicContact CZ3-CG1 3.61Å; V11-V13 HydrophobicContact CG1-CG1 4.18Å; V11-F51 HydrophobicContact CG2-CD1 3.76Å; V11-F51 HydrophobicContact CG2-CE1 3.63Å; V11-F51 HydrophobicContact CG2-CE2 4.41Å; V11-F51 HydrophobicContact CG2-CG 4.23Å; V11-F51 HydrophobicContact CG2-CZ 3.97Å; V11-V149 WeakPolarHBondContact O-CA 3.04Å; V11-V150 PolarHBondContact N-O 3.38Å; V11-V150 PolarHBondContact O-N 2.94Å
12	F	83.4	Confident	66.2	Low	34 Å²	34	67.2 Å²	67.2	15%	0.149	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.7	172.5	-55.2	-32.6	0	0	0	111	W4 Y10 L129 L133 H137 Y139 H148 V149	W4-F12 WeakPolarHBondContact CZ3-O 3.07Å; Y10-F12 AromaticContact CD2-CE1 3.94Å; Y10-F12 HydrophobicContact CD2-CE1 3.94Å; Y10-F12 HydrophobicContact CD2-CZ 4.45Å; Y10-F12 AromaticContact CE2-CE1 3.97Å; Y10-F12 HydrophobicContact CE2-CE1 3.97Å; Y10-F12 HydrophobicContact CE2-CZ 4.03Å; F12-L129 HydrophobicContact CD1-CD1 3.41Å; F12-L129 VanDerWaalsContact CD1-CD1 3.41Å; F12-L129 HydrophobicContact CE1-CD1 3.27Å; F12-L129 HydrophobicContact CG-CD1 4.17Å; F12-L129 HydrophobicContact CZ-CD1 3.91Å; F12-L133 HydrophobicContact CZ-CB 4.42Å; F12-H137 HydrophobicContact CE2-CB 3.88Å; F12-H137 HydrophobicContact CZ-CB 4.35Å; F12-H137 AromaticContact CZ-CD2 3.78Å; F12-Y139 HydrophobicContact CB-CE2 4.44Å; F12-Y139 AromaticContact CD2-CD2 3.94Å; F12-Y139 HydrophobicContact CD2-CD2 3.94Å; F12-Y139 HydrophobicContact CD2-CE2 4.43Å; F12-Y139 HydrophobicContact CD2-CG 4.13Å; F12-H148 CarbonylContact C-O 3.55Å; F12-H148 WeakPolarHBondContact CA-O 3.38Å; F12-V149 HydrophobicContact CD1-CB 4.05Å; F12-V149 HydrophobicContact CD1-CG2 3.9Å; F12-V149 HydrophobicContact CE1-CB 4.34Å; F12-V149 HydrophobicContact CE1-CG2 4Å
13	V	83.1	Confident	68.5	Low	5 Å²	5	62.9 Å²	62.9	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.6	-177.3	-55.1	0	0	0	0	110.6	V11 S49 A50 I126 H148 V150	V11-V13 HydrophobicContact CG1-CG1 4.18Å; V13-S49 VanDerWaalsContact CG1-O 3.23Å; V13-S49 WeakPolarHBondContact CG1-O 3.45Å; V13-A50 HydrophobicContact CG1-CB 4Å; V13-I126 HydrophobicContact CG2-CD1 4.34Å; V13-H148 HydrophobicContact CG2-CB 3.93Å; V13-H148 PolarHBondContact N-O 2.01Å; V13-H148 PolarHBondContact O-N 3.19Å; V13-H148 VanDerWaalsContact O-O 3.11Å; V13-V150 HydrophobicContact CB-CG2 4.4Å; V13-V150 HydrophobicContact CG1-CB 4.38Å; V13-V150 HydrophobicContact CG1-CG2 3.97Å; V13-V150 HydrophobicContact CG2-CG2 3.51Å
14	T	80.9	Confident	71	Confident	46 Å²	46	62.5 Å²	62.5	28%	0.282	32%	0.322	S	S	.	.			trans	-120.8	93.1	172.1	-50.7	0	0	0	0	107.9	H145	T14-H145 HydrophobicContact CG2-CB 3.91Å
15	P	82.7	Confident	73.1	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	31%	0.314	C	S	.	.			trans	-66.5	148	-176.7	25.6	-30.5	0	0	0	111.2	V29 L48 L113 H148	P15-V29 HydrophobicContact CB-CG1 4.38Å; P15-V29 HydrophobicContact CG-CG1 4.14Å; P15-L48 HydrophobicContact CB-CB 4.2Å; P15-L113 HydrophobicContact CB-CD1 3.45Å; P15-L113 VanDerWaalsContact CB-CD1 3.45Å; P15-L113 HydrophobicContact CG-CD1 3.48Å; P15-L113 VanDerWaalsContact CG-CD1 3.48Å; P15-H148 WeakPolarHBondContact CD-ND1 2.97Å; P15-H148 HydrophobicContact CG-CB 4.45Å; P15-H148 WeakPolarHBondContact CG-ND1 3.42Å
16	V	84.3	Confident	74.8	Confident	25 Å²	25	55 Å²	55	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.7	179.1	-58.9	0	0	0	0	111.1	V18 Y24 H27 Y46 R47	V16-V18 HydrophobicContact CG2-CG1 3.96Å; V16-Y24 HydrophobicContact CB-CD2 4.07Å; V16-Y24 HydrophobicContact CB-CE2 4.14Å; V16-Y24 HydrophobicContact CG1-CD2 4.27Å; V16-Y24 HydrophobicContact CG1-CE2 4.05Å; V16-Y24 HydrophobicContact CG2-CD2 4.5Å; V16-H27 WeakPolarHBondContact CG1-CE1 3.13Å; V16-H27 VanDerWaalsContact CG1-ND1 3.33Å; V16-H27 WeakPolarHBondContact CG1-ND1 3.45Å; V16-Y46 CarbonylContact O-C 3.51Å; V16-Y46 WeakPolarHBondContact O-CA 3.49Å; V16-R47 HydrophobicContact CG2-CB 3.89Å; V16-R47 WeakPolarHBondContact CG2-O 3.03Å; V16-R47 PolarHBondContact N-O 3.4Å; V16-R47 PolarHBondContact O-N 2.79Å
17	E	82.1	Confident	76.1	Confident	13 Å²	13	51.6 Å²	51.6	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.3	168.6	-161.7	178.9	-177.7	0	0	107.9	L25 T26 R31 Y46	E17-L25 HydrophobicContact CB-CB 4.35Å; E17-L25 HydrophobicContact CG-CD1 4.13Å; E17-L25 WeakPolarHBondContact O-CB 3.41Å; E17-L25 PolarHBondContact O-N 2.92Å; E17-T26 HydrophobicContact CB-CG2 3.72Å; E17-T26 HydrophobicContact CG-CG2 4.43Å; E17-T26 PolarHBondContact N-O 2.91Å; E17-T26 PolarHBondContact O-N 3.24Å; E17-T26 WeakPolarHBondContact OE2-CG2 3.4Å; E17-R31 IonicContact OE1-CZ 3.18Å; E17-R31 IonicContact OE1-NH2 2.79Å; E17-R31 PolarHBondContact OE1-NH2 2.75Å; E17-R31 IonicContact OE2-NH2 2.77Å; E17-Y46 HydrophobicContact CB-CD1 4.09Å; E17-Y46 HydrophobicContact CB-CE1 3.79Å; E17-Y46 HydrophobicContact CG-CD1 4.39Å; E17-Y46 HydrophobicContact CG-CE1 3.94Å
18	V	82.8	Confident	76.8	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.1	-179.9	-62.4	0	0	0	0	110	V16 T23 H45 R47	V16-V18 HydrophobicContact CG2-CG1 3.96Å; V18-T23 CarbonylContact C-O 3.58Å; V18-T23 VanDerWaalsContact CA-O 3.26Å; V18-T23 WeakPolarHBondContact CA-O 3.46Å; V18-T23 WeakPolarHBondContact CB-O 3.24Å; V18-H45 HydrophobicContact CG2-CB 3.74Å; V18-H45 PolarHBondContact N-O 2.94Å; V18-H45 WeakPolarHBondContact O-CB 3.31Å; V18-R47 HydrophobicContact CG1-CB 3.9Å; V18-R47 HydrophobicContact CG2-CB 4.37Å
19	N	79.3	Confident	77.3	Confident	71 Å²	71	46.7 Å²	46.7	38%	0.38	25%	0.25	S	C	.	.			trans	-77.1	174.1	169.4	-77	-41.3	0	0	0	111.6	D21 G22 T23 L25	N19-D21 PolarHBondContact O-N 3.33Å; N19-G22 PolarHBondContact O-N 3.31Å; N19-T23 WeakPolarHBondContact CB-OG1 3.27Å; N19-T23 PolarHBondContact N-O 2.88Å; N19-T23 PolarHBondContact ND2-OG1 3.23Å; N19-L25 WeakPolarHBondContact ND2-CD2 3.45Å; N19-L25 VanDerWaalsContact OD1-CD1 3.28Å; N19-L25 WeakPolarHBondContact OD1-CD1 3.39Å; N19-L25 WeakPolarHBondContact OD1-CD2 3.33Å
20	S	76	Confident	77.2	Confident	64 Å²	64	44.1 Å²	44.1	45%	0.448	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.5	173	59.4	0	0	0	0	113.8	R98	S20-R98 PolarHBondContact O-NH1 2.99Å; S20-R98 PolarHBondContact O-NH2 2.82Å
21	D	73.3	Confident	76.5	Confident	135 Å²	135	48.1 Å²	48.1	72%	0.722	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.6	178.6	-57.9	-31.4	0	0	0	113.4	N19	N19-D21 PolarHBondContact O-N 3.33Å
22	G	69.3	Low	74.9	Confident	18 Å²	18	57.6 Å²	57.6	19%	0.186	29%	0.291	C	S	.	.	S	Bend	trans	81.3	8.5	179.9	0	0	0	0	0	115.1	N19	N19-G22 PolarHBondContact O-N 3.31Å
23	T	76.9	Confident	73.3	Confident	76 Å²	76	60 Å²	60	47%	0.466	33%	0.326	S	S	.	.			trans	-74.6	136.6	172.7	62.4	0	0	0	0	110.8	V18 N19	V18-T23 CarbonylContact C-O 3.58Å; V18-T23 VanDerWaalsContact CA-O 3.26Å; V18-T23 WeakPolarHBondContact CA-O 3.46Å; V18-T23 WeakPolarHBondContact CB-O 3.24Å; N19-T23 WeakPolarHBondContact CB-OG1 3.27Å; N19-T23 PolarHBondContact N-O 2.88Å; N19-T23 PolarHBondContact ND2-OG1 3.23Å
24	Y	80	Confident	71.2	Confident	124 Å²	124	70.9 Å²	70.9	49%	0.486	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	137.1	-179.7	172.5	-91.9	0	0	0	113.6	V16 H27	V16-Y24 HydrophobicContact CB-CD2 4.07Å; V16-Y24 HydrophobicContact CB-CE2 4.14Å; V16-Y24 HydrophobicContact CG1-CD2 4.27Å; V16-Y24 HydrophobicContact CG1-CE2 4.05Å; V16-Y24 HydrophobicContact CG2-CD2 4.5Å; Y24-H27 AromaticContact CE2-CD2 3.9Å; Y24-H27 AromaticContact CE2-CE1 3.71Å; Y24-H27 AromaticContact CE2-NE2 3.49Å; Y24-H27 WeakPolarHBondContact CE2-NE2 3.27Å; Y24-H27 AromaticContact CZ-CD2 3.76Å; Y24-H27 AromaticContact CZ-NE2 3.69Å; Y24-H27 PolarHBondContact OH-CD2 2.98Å; Y24-H27 PolarHBondContact OH-N 2.91Å; Y24-H27 PolarHBondContact OH-NE2 3.05Å
25	L	79.3	Confident	69.3	Low	76 Å²	76	81.1 Å²	81.1	40%	0.398	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-61.4	173	-73	175.8	0	0	0	113	E17 N19	E17-L25 HydrophobicContact CB-CB 4.35Å; E17-L25 HydrophobicContact CG-CD1 4.13Å; E17-L25 WeakPolarHBondContact O-CB 3.41Å; E17-L25 PolarHBondContact O-N 2.92Å; N19-L25 WeakPolarHBondContact ND2-CD2 3.45Å; N19-L25 VanDerWaalsContact OD1-CD1 3.28Å; N19-L25 WeakPolarHBondContact OD1-CD1 3.39Å; N19-L25 WeakPolarHBondContact OD1-CD2 3.33Å
26	T	75.9	Confident	67	Low	48 Å²	48	85.2 Å²	85.2	29%	0.294	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159	-172.7	-179.9	0	0	0	0	112.6	E17 D28	E17-T26 HydrophobicContact CB-CG2 3.72Å; E17-T26 HydrophobicContact CG-CG2 4.43Å; E17-T26 PolarHBondContact N-O 2.91Å; E17-T26 PolarHBondContact O-N 3.24Å; E17-T26 WeakPolarHBondContact OE2-CG2 3.4Å; T26-D28 PolarHBondContact OG1-N 2.81Å
27	H	69	Low	64.8	Low	43 Å²	43	95.9 Å²	95.9	20%	0.199	47%	0.466	C	S	.	.	S	Bend	trans	-92.4	-4.1	169.6	-72.1	-64.5	0	0	0	113.6	V16 Y24 V29 H145	V16-H27 WeakPolarHBondContact CG1-CE1 3.13Å; V16-H27 VanDerWaalsContact CG1-ND1 3.33Å; V16-H27 WeakPolarHBondContact CG1-ND1 3.45Å; Y24-H27 AromaticContact CE2-CD2 3.9Å; Y24-H27 AromaticContact CE2-CE1 3.71Å; Y24-H27 AromaticContact CE2-NE2 3.49Å; Y24-H27 WeakPolarHBondContact CE2-NE2 3.27Å; Y24-H27 AromaticContact CZ-CD2 3.76Å; Y24-H27 AromaticContact CZ-NE2 3.69Å; Y24-H27 PolarHBondContact OH-CD2 2.98Å; Y24-H27 PolarHBondContact OH-N 2.91Å; Y24-H27 PolarHBondContact OH-NE2 3.05Å; H27-V29 PolarHBondContact O-N 2.81Å; H27-H145 AromaticContact CD2-CE1 3.17Å; H27-H145 PolarHBondContact CD2-CE1 2.88Å; H27-H145 AromaticContact CD2-ND1 3.64Å; H27-H145 AromaticContact CD2-NE2 3.7Å; H27-H145 AromaticContact CE1-CE1 3.46Å; H27-H145 PolarHBondContact CE1-CE1 2.85Å; H27-H145 VanDerWaalsContact CE1-CE1 3.46Å; H27-H145 AromaticContact CE1-ND1 3.63Å; H27-H145 AromaticContact CG-CE1 3.57Å; H27-H145 AromaticContact CG-ND1 3.51Å; H27-H145 AromaticContact ND1-CE1 3.69Å; H27-H145 AromaticContact ND1-ND1 3.46Å; H27-H145 PolarHBondContact ND1-ND1 2.88Å; H27-H145 AromaticContact NE2-CE1 3.17Å; H27-H145 PolarHBondContact NE2-CE1 3.31Å; H27-H145 AromaticContact NE2-ND1 3.77Å
28	D	68.4	Low	62.5	Low	70 Å²	70	106 Å²	106	37%	0.374	50%	0.503	S	S	.	.			trans	-83.1	106.4	174.6	-171.8	3.2	0	0	0	110.2	T26 T30 H146	T26-D28 PolarHBondContact OG1-N 2.81Å; D28-T30 PolarHBondContact OD1-N 3.41Å; D28-T30 VanDerWaalsContact OD1-N 3.09Å; D28-T30 PolarHBondContact OD1-OG1 3.15Å; D28-H146 IonicContact OD1-CE1 3.76Å
29	V	68.6	Low	60.5	Low	0 Å²	0	111.7 Å²	111.7	0%	0	54%	0.543	C	S	.	.			trans	-100.8	10	-177.2	-57.7	0	0	0	0	112.5	P15 H27 Y46 L113 H146	P15-V29 HydrophobicContact CB-CG1 4.38Å; P15-V29 HydrophobicContact CG-CG1 4.14Å; H27-V29 PolarHBondContact O-N 2.81Å; V29-Y46 HydrophobicContact CB-CE1 4.07Å; V29-Y46 HydrophobicContact CG1-CD1 4.25Å; V29-Y46 HydrophobicContact CG1-CE1 3.83Å; V29-L113 HydrophobicContact CB-CD1 3.71Å; V29-L113 HydrophobicContact CB-CG 3.85Å; V29-L113 HydrophobicContact CG1-CD1 3.77Å; V29-L113 HydrophobicContact CG1-CG 4.46Å; V29-L113 HydrophobicContact CG2-CD1 4.08Å; V29-L113 HydrophobicContact CG2-CG 4.03Å; V29-H146 HydrophobicContact CG2-CB 4.22Å
30	T	64.8	Low	58.8	Low	45 Å²	45	114.7 Å²	114.7	28%	0.276	56%	0.558	S	S	.	*			trans	-106.8	133.9	-179.4	68.8	0	0	0	0	111.4	D28	D28-T30 PolarHBondContact OD1-N 3.41Å; D28-T30 VanDerWaalsContact OD1-N 3.09Å; D28-T30 PolarHBondContact OD1-OG1 3.15Å
31	R	63	Low	57.5	Low	107 Å²	107	115.7 Å²	115.7	40%	0.404	57%	0.566	S	S	.	*			trans	-124.5	81.5	177.6	-69.2	-104.1	-176.8	176.8	1.4	109.8	E17 T109	E17-R31 IonicContact OE1-CZ 3.18Å; E17-R31 IonicContact OE1-NH2 2.79Å; E17-R31 PolarHBondContact OE1-NH2 2.75Å; E17-R31 IonicContact OE2-NH2 2.77Å; R31-T109 PolarHBondContact N-O 2.95Å
32	R	49	Very low	56.8	Low	205 Å²	205	116.2 Å²	116.2	77%	0.774	57%	0.567	S	S	*	*			trans	-99	116.1	164.6	-80.1	-170.9	-177.8	-156	-0.5	109.9	R34 C110	R32-R34 PolarHBondContact O-N 3.36Å; R32-C110 PolarHBondContact NE-O 3.39Å
33	G	51.3	Low	56.6	Low	85 Å²	85	117.4 Å²	117.4	88%	0.876	57%	0.573	S	S	*	*			trans	53	45.6	152.4	0	0	0	0	0	118.9	R35	G33-R35 PolarHBondContact O-N 3.46Å
34	R	39.1	Very low	56.7	Low	232 Å²	232	114.2 Å²	114.2	88%	0.875	55%	0.553	S	S	*	*			trans	-82.7	97.7	163.1	-92.1	-175.2	172.9	179.1	0.1	110.4	R32 S36	R32-R34 PolarHBondContact O-N 3.36Å; R34-S36 PolarHBondContact O-N 3.35Å
35	R	40.8	Very low	56.8	Low	261 Å²	261	109.3 Å²	109.3	99%	0.985	54%	0.535	S	S	*	.			trans	-64.5	86.5	154.8	-79.4	-178.7	176.2	173.2	-0.4	108	G33	G33-R35 PolarHBondContact O-N 3.46Å
36	S	33.3	Very low	57.1	Low	87 Å²	87	105.7 Å²	105.7	61%	0.608	52%	0.516	S	S	*	.			trans	-141	115.3	166.6	-168.6	0	0	0	0	110.5	R34 R38	R34-S36 PolarHBondContact O-N 3.35Å; S36-R38 PolarHBondContact O-N 3.05Å
37	R	39.1	Very low	57.5	Low	250 Å²	250	108.5 Å²	108.5	94%	0.943	52%	0.521	S	S	*	.			trans	-58.1	96.1	169.7	-81.3	170.5	155.3	160.2	-7.3	109.3
38	R	33.8	Very low	58.4	Low	226 Å²	226	106.7 Å²	106.7	85%	0.853	51%	0.513	S	S	*	.	S	Bend	trans	-169.1	113.8	152	-104.3	163.8	-170.9	-168	2.4	108	S36 L40	S36-R38 PolarHBondContact O-N 3.05Å; R38-L40 PolarHBondContact O-N 2.9Å; R38-L40 VanDerWaalsContact O-N 3.16Å
39	S	40.3	Very low	59	Low	122 Å²	122	105.7 Å²	105.7	85%	0.853	51%	0.511	S	S	*	.			trans	4.4	90.5	169.7	55.7	0	0	0	0	115.8	S41	S39-S41 PolarHBondContact O-N 2.83Å
40	L	44.6	Very low	59.5	Low	134 Å²	134	105.8 Å²	105.8	70%	0.702	51%	0.512	S	S	*	.			trans	-66.9	118.5	166.9	-80.6	145.8	0	0	0	107.9	R38 L42	R38-L40 PolarHBondContact O-N 2.9Å; R38-L40 VanDerWaalsContact O-N 3.16Å; L40-L42 PolarHBondContact O-N 3.45Å
41	S	47.9	Very low	60.1	Low	86 Å²	86	106.1 Å²	106.1	60%	0.601	51%	0.51	S	S	*	.			trans	-61.2	131.4	167.8	55.5	0	0	0	0	108.6	S39 S43	S39-S41 PolarHBondContact O-N 2.83Å; S41-S43 PolarHBondContact O-N 2.83Å; S41-S43 PolarHBondContact OG-O 3.36Å
42	L	57.5	Low	60.4	Low	145 Å²	145	105 Å²	105	76%	0.759	53%	0.531	S	S	*	.	S	Bend	trans	-69.4	-3.1	178.6	-84	132.1	0	0	0	113.3	L40 P61	L40-L42 PolarHBondContact O-N 3.45Å; L42-P61 WeakPolarHBondContact O-CD 2.92Å
43	S	66.2	Low	61.7	Low	43 Å²	43	99.1 Å²	99.1	30%	0.301	51%	0.513	S	S	.	.			trans	-125	139.7	176	60	0	0	0	0	110.9	S41 H45 L59	S41-S43 PolarHBondContact O-N 2.83Å; S41-S43 PolarHBondContact OG-O 3.36Å; S43-H45 PolarHBondContact OG-NE2 2.02Å; S43-L59 WeakPolarHBondContact CA-O 3.44Å
44	L	78.3	Confident	63.1	Low	10 Å²	10	99.2 Å²	99.2	5%	0.052	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.6	174.7	-70.2	-178.3	0	0	0	109.9	Y46 L59 Y93	L44-Y46 HydrophobicContact CB-CE2 4.39Å; L44-Y46 HydrophobicContact CD1-CE2 4.42Å; L44-L59 HydrophobicContact CB-CB 4.35Å; L44-L59 PolarHBondContact N-O 3.3Å; L44-L59 WeakPolarHBondContact O-CA 3.35Å; L44-L59 WeakPolarHBondContact O-CB 3.4Å; L44-L59 PolarHBondContact O-N 3.47Å; L44-Y93 HydrophobicContact CD1-CD1 3.8Å; L44-Y93 HydrophobicContact CD1-CD2 4.07Å; L44-Y93 HydrophobicContact CD1-CE1 3.34Å; L44-Y93 HydrophobicContact CD1-CE2 3.64Å; L44-Y93 HydrophobicContact CD1-CG 4.17Å; L44-Y93 HydrophobicContact CG-CD1 4.32Å; L44-Y93 HydrophobicContact CG-CE1 3.92Å
45	H	83.1	Confident	65.2	Low	21 Å²	21	88.3 Å²	88.3	10%	0.097	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127	179.3	-54.4	-90.3	0	0	0	110.6	V18 S43 L57 D58 R98	V18-H45 HydrophobicContact CG2-CB 3.74Å; V18-H45 PolarHBondContact N-O 2.94Å; V18-H45 WeakPolarHBondContact O-CB 3.31Å; S43-H45 PolarHBondContact OG-NE2 2.02Å; H45-L57 VanDerWaalsContact CA-O 3.29Å; H45-L57 WeakPolarHBondContact CA-O 3.5Å; H45-D58 IonicContact CE1-OD1 2.67Å; H45-D58 PolarHBondContact CE1-OD1 3.25Å; H45-D58 VanDerWaalsContact CE1-OD1 3.25Å; H45-D58 IonicContact CG-OD1 2.65Å; H45-D58 IonicContact ND1-OD1 3.32Å; H45-D58 PolarHBondContact ND1-OD1 2.77Å; H45-R98 PolarHBondContact ND1-NH2 2.83Å
46	Y	86	Confident	67.4	Low	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143	176.8	-70.6	-74.6	0	0	0	111	V16 E17 V29 L44 H56 L57 L59 T109 L113	V16-Y46 CarbonylContact O-C 3.51Å; V16-Y46 WeakPolarHBondContact O-CA 3.49Å; E17-Y46 HydrophobicContact CB-CD1 4.09Å; E17-Y46 HydrophobicContact CB-CE1 3.79Å; E17-Y46 HydrophobicContact CG-CD1 4.39Å; E17-Y46 HydrophobicContact CG-CE1 3.94Å; V29-Y46 HydrophobicContact CB-CE1 4.07Å; V29-Y46 HydrophobicContact CG1-CD1 4.25Å; V29-Y46 HydrophobicContact CG1-CE1 3.83Å; L44-Y46 HydrophobicContact CB-CE2 4.39Å; L44-Y46 HydrophobicContact CD1-CE2 4.42Å; Y46-H56 CarbonylContact O-C 3.55Å; Y46-H56 WeakPolarHBondContact O-CA 2.97Å; Y46-L57 PolarHBondContact N-O 2.03Å; Y46-L57 PolarHBondContact O-N 2.9Å; Y46-L59 HydrophobicContact CD2-CD1 3.77Å; Y46-L59 HydrophobicContact CE2-CD1 4.18Å; Y46-T109 HydrophobicContact CE2-CG2 4.27Å; Y46-L113 HydrophobicContact CD1-CD1 3.96Å; Y46-L113 HydrophobicContact CD2-CD2 3.97Å; Y46-L113 HydrophobicContact CE1-CD1 4.15Å; Y46-L113 HydrophobicContact CE1-CD2 4.4Å; Y46-L113 HydrophobicContact CE2-CD2 3.75Å; Y46-L113 HydrophobicContact CG-CD1 4.19Å; Y46-L113 HydrophobicContact CG-CD2 4.38Å
47	R	84.1	Confident	69.8	Low	106 Å²	106	73.1 Å²	73.1	40%	0.4	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.5	173.3	-172.3	177	175.5	-174	-1.5	110.4	V16 V18 D54 M55	V16-R47 HydrophobicContact CG2-CB 3.89Å; V16-R47 WeakPolarHBondContact CG2-O 3.03Å; V16-R47 PolarHBondContact N-O 3.4Å; V16-R47 PolarHBondContact O-N 2.79Å; V18-R47 HydrophobicContact CG1-CB 3.9Å; V18-R47 HydrophobicContact CG2-CB 4.37Å; R47-D54 WeakPolarHBondContact CG-OD1 3.43Å; R47-D54 IonicContact CZ-OD2 3.81Å; R47-D54 IonicContact NE-OD1 3.01Å; R47-D54 PolarHBondContact NE-OD1 2.92Å; R47-D54 IonicContact NE-OD2 3.67Å; R47-D54 PolarHBondContact NE-OD2 2.98Å; R47-D54 IonicContact NH2-OD2 2.82Å; R47-D54 PolarHBondContact NH2-OD2 2.7Å; R47-M55 WeakPolarHBondContact CA-O 3.32Å
48	L	86.9	Confident	71.9	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.1	176.3	69.9	98.5	0	0	0	110.9	P15 A50 M55 L57 I117 I126 V150	P15-L48 HydrophobicContact CB-CB 4.2Å; L48-A50 HydrophobicContact CD1-CB 4.12Å; L48-M55 HydrophobicContact CD1-CE 3.52Å; L48-M55 HydrophobicContact CG-CB 4.46Å; L48-M55 PolarHBondContact N-O 2.79Å; L48-M55 PolarHBondContact O-N 2.64Å; L48-L57 HydrophobicContact CD2-CD1 3.85Å; L48-I117 HydrophobicContact CD2-CD1 4.27Å; L48-I126 HydrophobicContact CD2-CD1 3.97Å; L48-V150 HydrophobicContact CD1-CG2 4.23Å
49	S	81.4	Confident	74	Confident	49 Å²	49	51.5 Å²	51.5	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.1	178.2	174.3	0	0	0	0	109.9	V13 Q53	V13-S49 VanDerWaalsContact CG1-O 3.23Å; V13-S49 WeakPolarHBondContact CG1-O 3.45Å; S49-Q53 CarbonylContact C-O 3.53Å; S49-Q53 VanDerWaalsContact CA-O 3.32Å; S49-Q53 WeakPolarHBondContact CA-O 3.4Å
50	A	79.6	Confident	75.7	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.4	178.2	0	0	0	0	0	110.7	V13 L48 G52 Q53 M55 V150	V13-A50 HydrophobicContact CG1-CB 4Å; L48-A50 HydrophobicContact CD1-CB 4.12Å; A50-G52 PolarHBondContact O-N 3.4Å; A50-G52 VanDerWaalsContact O-N 3.12Å; A50-Q53 PolarHBondContact N-O 2.94Å; A50-Q53 PolarHBondContact O-N 3.24Å; A50-M55 HydrophobicContact CB-CE 3.69Å; A50-V150 HydrophobicContact CB-CB 3.95Å; A50-V150 HydrophobicContact CB-CG1 3.81Å; A50-V150 HydrophobicContact CB-CG2 4.21Å
51	F	76.3	Confident	76.6	Confident	52 Å²	52	47.5 Å²	47.5	23%	0.228	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	36.6	178.9	-60.2	-77.2	0	0	0	114.6	V11 Q53 Y124 V150 K152	V11-F51 HydrophobicContact CG2-CD1 3.76Å; V11-F51 HydrophobicContact CG2-CE1 3.63Å; V11-F51 HydrophobicContact CG2-CE2 4.41Å; V11-F51 HydrophobicContact CG2-CG 4.23Å; V11-F51 HydrophobicContact CG2-CZ 3.97Å; F51-Q53 VanDerWaalsContact C-N 3.27Å; F51-Q53 PolarHBondContact O-N 2.88Å; F51-Y124 AromaticContact CD2-CD1 3.87Å; F51-Y124 HydrophobicContact CD2-CD1 3.87Å; F51-Y124 AromaticContact CD2-CE1 3.73Å; F51-Y124 HydrophobicContact CD2-CE1 3.73Å; F51-Y124 AromaticContact CE2-CD1 3.82Å; F51-Y124 HydrophobicContact CE2-CD1 3.82Å; F51-Y124 HydrophobicContact CE2-CE1 4.01Å; F51-Y124 HydrophobicContact CG-CE1 4.42Å; F51-V150 HydrophobicContact CD2-CG1 4.5Å; F51-V150 HydrophobicContact CE2-CG1 4.11Å; F51-K152 HydrophobicContact CZ-CG 4.36Å
52	G	70.4	Confident	76.9	Confident	83 Å²	83	44.4 Å²	44.4	86%	0.856	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	5.5	-179.7	0	0	0	0	0	115.2	A50	A50-G52 PolarHBondContact O-N 3.4Å; A50-G52 VanDerWaalsContact O-N 3.12Å
53	Q	75.1	Confident	76.4	Confident	82 Å²	82	43.2 Å²	43.2	38%	0.383	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.6	175.8	-61.9	-176.7	7.2	0	0	110.8	S49 A50 F51	S49-Q53 CarbonylContact C-O 3.53Å; S49-Q53 VanDerWaalsContact CA-O 3.32Å; S49-Q53 WeakPolarHBondContact CA-O 3.4Å; A50-Q53 PolarHBondContact N-O 2.94Å; A50-Q53 PolarHBondContact O-N 3.24Å; F51-Q53 VanDerWaalsContact C-N 3.27Å; F51-Q53 PolarHBondContact O-N 2.88Å
54	D	80.6	Confident	75.2	Confident	86 Å²	86	45.5 Å²	45.5	46%	0.46	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.9	172.7	-167.7	14.3	0	0	0	109.2	R47	R47-D54 WeakPolarHBondContact CG-OD1 3.43Å; R47-D54 IonicContact CZ-OD2 3.81Å; R47-D54 IonicContact NE-OD1 3.01Å; R47-D54 PolarHBondContact NE-OD1 2.92Å; R47-D54 IonicContact NE-OD2 3.67Å; R47-D54 PolarHBondContact NE-OD2 2.98Å; R47-D54 IonicContact NH2-OD2 2.82Å; R47-D54 PolarHBondContact NH2-OD2 2.7Å
55	M	84.3	Confident	73.2	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.1	-173.8	-65.7	-176.7	-88.2	0	0	110.3	R47 L48 A50 I97 I117 V119	R47-M55 WeakPolarHBondContact CA-O 3.32Å; L48-M55 HydrophobicContact CD1-CE 3.52Å; L48-M55 HydrophobicContact CG-CB 4.46Å; L48-M55 PolarHBondContact N-O 2.79Å; L48-M55 PolarHBondContact O-N 2.64Å; A50-M55 HydrophobicContact CB-CE 3.69Å; M55-I97 HydrophobicContact CB-CD1 4.32Å; M55-I97 HydrophobicContact CB-CG2 4.4Å; M55-I97 HydrophobicContact CG-CD1 3.94Å; M55-I97 HydrophobicContact SD-CD1 3.78Å; M55-I117 HydrophobicContact SD-CG2 4.07Å; M55-V119 HydrophobicContact SD-CG2 4.46Å
56	H	86.4	Confident	70.8	Confident	27 Å²	27	48.4 Å²	48.4	13%	0.125	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.2	170.9	-170	154.9	0	0	0	109	Y46 D58 I97 R98	Y46-H56 CarbonylContact O-C 3.55Å; Y46-H56 WeakPolarHBondContact O-CA 2.97Å; H56-D58 IonicContact CD2-OD1 3.2Å; H56-D58 IonicContact NE2-OD1 3.25Å; H56-I97 CarbonylContact O-C 3.56Å; H56-I97 VanDerWaalsContact O-CA 3.28Å; H56-I97 WeakPolarHBondContact O-CA 3.23Å; H56-R98 HydrophobicContact CB-CB 4.14Å; H56-R98 VanDerWaalsContact CE1-CZ 3.48Å; H56-R98 PolarHBondContact CE1-NH1 3.3Å; H56-R98 PolarHBondContact O-N 2.89Å
57	L	84.3	Confident	68.1	Low	2 Å²	2	55.1 Å²	55.1	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.2	-179.5	-58.8	173.2	0	0	0	110.5	H45 Y46 L48 L59 I97 A105 I107 I117	H45-L57 VanDerWaalsContact CA-O 3.29Å; H45-L57 WeakPolarHBondContact CA-O 3.5Å; Y46-L57 PolarHBondContact N-O 2.03Å; Y46-L57 PolarHBondContact O-N 2.9Å; L48-L57 HydrophobicContact CD2-CD1 3.85Å; L57-L59 HydrophobicContact CB-CD1 4.49Å; L57-L59 HydrophobicContact CB-CD2 4.22Å; L57-L59 HydrophobicContact CB-CG 4.1Å; L57-I97 HydrophobicContact CD2-CG1 3.73Å; L57-A105 HydrophobicContact CD2-CB 3.79Å; L57-I107 HydrophobicContact CD1-CG1 4.48Å; L57-I117 HydrophobicContact CD1-CD1 4.04Å; L57-I117 HydrophobicContact CD2-CD1 4.28Å; L57-I117 HydrophobicContact CD2-CG1 4.46Å; L57-I117 HydrophobicContact CD2-CG2 4.35Å
58	D	83.1	Confident	65.8	Low	21 Å²	21	52.1 Å²	52.1	11%	0.112	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.5	169.9	-70.1	-30.1	0	0	0	108.2	H45 H56 G95 F96 R98	H45-D58 IonicContact CE1-OD1 2.67Å; H45-D58 PolarHBondContact CE1-OD1 3.25Å; H45-D58 VanDerWaalsContact CE1-OD1 3.25Å; H45-D58 IonicContact CG-OD1 2.65Å; H45-D58 IonicContact ND1-OD1 3.32Å; H45-D58 PolarHBondContact ND1-OD1 2.77Å; H56-D58 IonicContact CD2-OD1 3.2Å; H56-D58 IonicContact NE2-OD1 3.25Å; D58-G95 WeakPolarHBondContact O-CA 3.4Å; D58-F96 HydrophobicContact CB-CD2 4.37Å; D58-F96 HydrophobicContact CB-CE2 3.98Å; D58-F96 HydrophobicContact CB-CZ 4.18Å; D58-F96 PolarHBondContact N-O 3.34Å; D58-F96 PolarHBondContact O-N 3.43Å; D58-F96 VanDerWaalsContact O-N 3.11Å; D58-R98 IonicContact OD1-CZ 2.92Å; D58-R98 IonicContact OD1-NE 3.82Å; D58-R98 PolarHBondContact OD1-NE 3.34Å; D58-R98 IonicContact OD1-NH2 3.8Å; D58-R98 PolarHBondContact OD1-NH2 2.03Å; D58-R98 WeakPolarHBondContact OD2-CB 3.28Å; D58-R98 IonicContact OD2-CZ 2.98Å; D58-R98 IonicContact OD2-NE 3.69Å; D58-R98 PolarHBondContact OD2-NE 2.83Å; D58-R98 IonicContact OD2-NH2 2.64Å
59	L	78.1	Confident	63.5	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.1	-169.6	-59.4	-179.4	0	0	0	112.8	S43 L44 Y46 L57 A105 I107	S43-L59 WeakPolarHBondContact CA-O 3.44Å; L44-L59 HydrophobicContact CB-CB 4.35Å; L44-L59 PolarHBondContact N-O 3.3Å; L44-L59 WeakPolarHBondContact O-CA 3.35Å; L44-L59 WeakPolarHBondContact O-CB 3.4Å; L44-L59 PolarHBondContact O-N 3.47Å; Y46-L59 HydrophobicContact CD2-CD1 3.77Å; Y46-L59 HydrophobicContact CE2-CD1 4.18Å; L57-L59 HydrophobicContact CB-CD1 4.49Å; L57-L59 HydrophobicContact CB-CD2 4.22Å; L57-L59 HydrophobicContact CB-CG 4.1Å; L59-A105 HydrophobicContact CD2-CB 4.14Å; L59-I107 HydrophobicContact CD1-CB 4.03Å; L59-I107 HydrophobicContact CD1-CG1 4.19Å; L59-I107 HydrophobicContact CD1-CG2 4.35Å; L59-I107 HydrophobicContact CD2-CG1 4.27Å
60	L	75.8	Confident	61.4	Low	97 Å²	97	56.9 Å²	56.9	51%	0.508	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.3	176.9	-66.7	169.7	0	0	0	110.8	S62 Y93 Q94	L60-S62 PolarHBondContact O-N 2.96Å; L60-Y93 CarbonylContact O-C 3.56Å; L60-Y93 VanDerWaalsContact O-CA 3.25Å; L60-Y93 WeakPolarHBondContact O-CA 3.36Å; L60-Q94 PolarHBondContact N-O 2.79Å; L60-Q94 PolarHBondContact O-N 3.31Å
61	P	64	Low	59.7	Low	75 Å²	75	58.3 Å²	58.3	49%	0.487	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	128.7	175.3	-23.3	29.5	0	0	0	110.9	L42 Y93	L42-P61 WeakPolarHBondContact O-CD 2.92Å; P61-Y93 HydrophobicContact CB-CE1 4.4Å; P61-Y93 HydrophobicContact CG-CD1 4.35Å; P61-Y93 HydrophobicContact CG-CE1 4.08Å
62	S	53.8	Low	58.5	Low	20 Å²	20	57.8 Å²	57.8	14%	0.14	37%	0.365	C	S	.	.			trans	-104.7	119.1	-172.5	-178.3	0	0	0	0	110.7	L60 V64 L92 Q94	L60-S62 PolarHBondContact O-N 2.96Å; S62-V64 PolarHBondContact O-N 3.38Å; S62-V64 WeakPolarHBondContact OG-CG2 3.16Å; S62-L92 WeakPolarHBondContact CB-O 3.28Å; S62-L92 PolarHBondContact N-O 3.31Å; S62-Q94 VanDerWaalsContact OG-CD 3.22Å; S62-Q94 WeakPolarHBondContact OG-CG 3.46Å; S62-Q94 PolarHBondContact OG-NE2 3.18Å
63	S	47.8	Very low	57.3	Low	120 Å²	120	54.3 Å²	54.3	84%	0.839	33%	0.328	S	S	*	.			trans	-79.8	46.1	176.7	61.8	0	0	0	0	112.7	V65	S63-V65 PolarHBondContact O-N 3.1Å
64	V	40.8	Very low	55.9	Low	91 Å²	91	52.2 Å²	52.2	55%	0.552	32%	0.32	S	S	*	.			trans	-84.9	-3.9	-168.6	160.3	0	0	0	0	114.2	S62	S62-V64 PolarHBondContact O-N 3.38Å; S62-V64 WeakPolarHBondContact OG-CG2 3.16Å
65	V	34.5	Very low	54.2	Low	61 Å²	61	49.2 Å²	49.2	37%	0.37	31%	0.309	S	S	.	.	S	Bend	trans	-115.7	108.6	167.3	-173.9	0	0	0	0	108.2	S63 L92	S63-V65 PolarHBondContact O-N 3.1Å; V65-L92 HydrophobicContact CG2-CD1 4.3Å
66	G	32.7	Very low	52	Low	32 Å²	32	52.7 Å²	52.7	33%	0.33	34%	0.335	S	S	.	.			trans	-68.5	146.6	176.3	0	0	0	0	0	111.5	G68	G66-G68 PolarHBondContact O-N 2.79Å; G66-G68 VanDerWaalsContact O-N 3.09Å
67	P	29.3	Very low	49.7	Very low	140 Å²	140	59 Å²	59	91%	0.909	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	109.6	174.2	26.8	-30	0	0	0	109
68	G	37.5	Very low	47.6	Very low	44 Å²	44	65.4 Å²	65.4	45%	0.454	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	131.4	1.7	168.3	0	0	0	0	0	118.6	G66 T70	G66-G68 PolarHBondContact O-N 2.79Å; G66-G68 VanDerWaalsContact O-N 3.09Å; G68-T70 PolarHBondContact O-N 2.86Å
69	F	37.6	Very low	45.6	Very low	126 Å²	126	69.6 Å²	69.6	55%	0.553	42%	0.424	S	S	*	.			trans	-65	121.4	170.4	179.5	-105.9	0	0	0	110.1	V71	F69-V71 HydrophobicContact CE1-CG2 3.62Å; F69-V71 HydrophobicContact CZ-CG2 3.59Å
70	T	37.7	Very low	43.6	Very low	29 Å²	29	72.3 Å²	72.3	18%	0.178	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.6	178	62.4	0	0	0	0	110	G68 K329	G68-T70 PolarHBondContact O-N 2.86Å; T70-K329 PolarHBondContact OG1-NZ 3.04Å
71	V	43.9	Very low	41.7	Very low	31 Å²	31	71.1 Å²	71.1	19%	0.188	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.4	158.2	179.8	0	0	0	0	106.1	F69 V82 L295	F69-V71 HydrophobicContact CE1-CG2 3.62Å; F69-V71 HydrophobicContact CZ-CG2 3.59Å; V71-V82 PolarHBondContact O-N 2.83Å; V71-L295 HydrophobicContact CG1-CD1 4.43Å
72	Q	50.2	Low	40.5	Very low	41 Å²	41	71.8 Å²	71.8	19%	0.192	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.8	179.1	-63.8	-174.6	-9.4	0	0	108.5	T81 L294 L295 K329	Q72-T81 HydrophobicContact CG-CG2 3.76Å; Q72-L294 HydrophobicContact CB-CD2 3.75Å; Q72-L295 PolarHBondContact O-N 2.79Å; Q72-K329 VanDerWaalsContact NE2-NZ 3.17Å
73	T	46.5	Very low	39.6	Very low	11 Å²	11	78.6 Å²	78.6	7%	0.067	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	174.2	-45.1	0	0	0	0	106.9	S80 E297	T73-S80 PolarHBondContact N-O 3.3Å; T73-S80 PolarHBondContact O-N 3.27Å; T73-S80 PolarHBondContact O-OG 2.88Å; T73-E297 HydrophobicContact CG2-CG 3.51Å; T73-E297 VanDerWaalsContact CG2-OE1 3.26Å; T73-E297 WeakPolarHBondContact CG2-OE1 3.02Å
74	V	45.7	Very low	39	Very low	37 Å²	37	75 Å²	75	22%	0.224	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.8	-175.4	-176.1	0	0	0	0	108.4	L295 L296	V74-L295 PolarHBondContact N-O 2.95Å; V74-L296 HydrophobicContact CB-CD2 4.48Å
75	G	43.3	Very low	38.8	Very low	23 Å²	23	76.3 Å²	76.3	24%	0.237	46%	0.456	C	S	.	.			trans	-97	179.7	172	0	0	0	0	0	112	D77 D78	G75-D77 VanDerWaalsContact C-N 3.31Å; G75-D77 PolarHBondContact O-N 3.24Å; G75-D78 PolarHBondContact N-O 2.02Å
76	S	40	Very low	39	Very low	78 Å²	78	81.3 Å²	81.3	55%	0.545	48%	0.476	S	S	.	.	S	Bend	trans	-60.5	-29.8	-167.3	-24.1	0	0	0	0	115.3	H298	S76-H298 PolarHBondContact OG-CD2 3.32Å
77	D	38.1	Very low	39.4	Very low	158 Å²	158	82.1 Å²	82.1	85%	0.845	48%	0.484	S	S	*	.	S	Bend	trans	-142.4	8.2	-179.1	-77	-50.3	0	0	0	114.1	G75	G75-D77 VanDerWaalsContact C-N 3.31Å; G75-D77 PolarHBondContact O-N 3.24Å
78	D	38.3	Very low	40.1	Very low	137 Å²	137	79 Å²	79	73%	0.733	46%	0.459	S	S	*	.			trans	-147	133	178.5	-101.2	-33.1	0	0	0	112.8	G75 S80	G75-D78 PolarHBondContact N-O 2.02Å; D78-S80 PolarHBondContact O-N 3.34Å
79	I	41.2	Very low	40.7	Very low	109 Å²	109	81.3 Å²	81.3	56%	0.559	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	96.4	169	-59.8	172.8	0	0	0	107.8	T81	I79-T81 PolarHBondContact O-N 3.36Å; I79-T81 VanDerWaalsContact O-N 3.13Å
80	S	36.7	Very low	41.5	Very low	58 Å²	58	82.5 Å²	82.5	41%	0.406	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	102.8	170.2	68	0	0	0	0	109.5	T73 D78 V82	T73-S80 PolarHBondContact N-O 3.3Å; T73-S80 PolarHBondContact O-N 3.27Å; T73-S80 PolarHBondContact O-OG 2.88Å; D78-S80 PolarHBondContact O-N 3.34Å; S80-V82 PolarHBondContact O-N 3.15Å
81	T	36.6	Very low	42.8	Very low	73 Å²	73	81.4 Å²	81.4	45%	0.448	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	103.9	167.1	25	0	0	0	0	107.6	Q72 I79 K83	Q72-T81 HydrophobicContact CG-CG2 3.76Å; I79-T81 PolarHBondContact O-N 3.36Å; I79-T81 VanDerWaalsContact O-N 3.13Å; T81-K83 PolarHBondContact O-N 2.94Å
82	V	37.8	Very low	43.8	Very low	89 Å²	89	81.9 Å²	81.9	54%	0.539	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	90.1	165.6	-175.3	0	0	0	0	106.3	V71 S80 G84	V71-V82 PolarHBondContact O-N 2.83Å; S80-V82 PolarHBondContact O-N 3.15Å; V82-G84 PolarHBondContact O-N 2.88Å
83	K	36.1	Very low	45	Very low	162 Å²	162	81.4 Å²	81.4	70%	0.704	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	127.7	158.6	-80.9	-175	176.9	-179.7	0	106.1	T81 D85	T81-K83 PolarHBondContact O-N 2.94Å; K83-D85 PolarHBondContact O-N 2.87Å
84	G	35.5	Very low	46.5	Very low	46 Å²	46	85.5 Å²	85.5	47%	0.474	48%	0.475	S	S	.	.			trans	-47.9	135.2	173.2	0	0	0	0	0	110.5	V82 E86	V82-G84 PolarHBondContact O-N 2.88Å; G84-E86 PolarHBondContact O-N 2.8Å; G84-E86 VanDerWaalsContact O-N 3.14Å
85	D	36.6	Very low	48.2	Very low	118 Å²	118	84.6 Å²	84.6	63%	0.631	47%	0.473	S	S	*	.			trans	-41.7	111.4	-179.5	-166.4	2.1	0	0	0	112	K83 G87 L88	K83-D85 PolarHBondContact O-N 2.87Å; D85-G87 PolarHBondContact O-N 3.22Å; D85-G87 PolarHBondContact OD1-N 2.72Å; D85-L88 PolarHBondContact O-N 2.91Å; D85-L88 VanDerWaalsContact O-N 3.07Å
86	E	38	Very low	50.1	Low	166 Å²	166	88 Å²	88	78%	0.776	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.2	178.5	-82.2	-171	161.3	0	0	112.6	G84	G84-E86 PolarHBondContact O-N 2.8Å; G84-E86 VanDerWaalsContact O-N 3.14Å
87	G	42	Very low	52.2	Low	48 Å²	48	84.6 Å²	84.6	50%	0.495	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.6	173.6	0	0	0	0	0	116.1	D85	D85-G87 PolarHBondContact O-N 3.22Å; D85-G87 PolarHBondContact OD1-N 2.72Å
88	L	43.3	Very low	54	Low	75 Å²	75	80.5 Å²	80.5	39%	0.393	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-81.9	-18.6	-172.4	-128.6	85.5	0	0	0	114.2	D85 H90 L92	D85-L88 PolarHBondContact O-N 2.91Å; D85-L88 VanDerWaalsContact O-N 3.07Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 2.81Å; L88-L92 HydrophobicContact CD2-CD1 4.34Å
89	H	49.1	Very low	55.5	Low	92 Å²	92	81.8 Å²	81.8	43%	0.426	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-71.9	-15.9	-170.4	-72.7	-77.1	0	0	0	114.9
90	H	54.8	Low	57	Low	151 Å²	151	79.9 Å²	79.9	70%	0.699	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-110.7	6.9	-173.1	-64.7	92.2	0	0	0	114.5	L88 Y93	L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 2.81Å; H90-Y93 PolarHBondContact O-OH 2.89Å; H90-Y93 VanDerWaalsContact O-OH 3.07Å
91	C	64.4	Low	58.1	Low	7 Å²	7	83 Å²	83	5%	0.047	45%	0.448	C	S	.	.	S	Bend	trans	-129.1	11.4	-175.3	54.1	0	0	0	0	114.8	S108 T109 C110	C91-S108 CarbonylContact O-C 3.59Å; C91-S108 WeakPolarHBondContact O-CA 3.47Å; C91-T109 PolarHBondContact O-N 3.24Å; C91-T109 PolarHBondContact O-OG1 3.11Å; C91-C110 HydrophobicContact CB-CB 3.91Å; C91-C110 WeakPolarHBondContact CB-SG 3.44Å; C91-C110 WeakPolarHBondContact SG-CB 3.17Å; C91-C110 CovalentContact SG-SG 2.03Å; C91-C110 PolarHBondContact SG-SG 2.85Å
92	L	65.3	Low	59.7	Low	40 Å²	40	83.5 Å²	83.5	21%	0.209	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.4	177.2	-62.6	175.6	0	0	0	111.2	S62 V65 L88	S62-L92 WeakPolarHBondContact CB-O 3.28Å; S62-L92 PolarHBondContact N-O 3.31Å; V65-L92 HydrophobicContact CG2-CD1 4.3Å; L88-L92 HydrophobicContact CD2-CD1 4.34Å
93	Y	75.2	Confident	61.5	Low	31 Å²	31	79.6 Å²	79.6	12%	0.122	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.4	-175.5	-58.1	-94.4	0	0	0	111.8	L44 L60 P61 H90 I107 T109	L44-Y93 HydrophobicContact CD1-CD1 3.8Å; L44-Y93 HydrophobicContact CD1-CD2 4.07Å; L44-Y93 HydrophobicContact CD1-CE1 3.34Å; L44-Y93 HydrophobicContact CD1-CE2 3.64Å; L44-Y93 HydrophobicContact CD1-CG 4.17Å; L44-Y93 HydrophobicContact CG-CD1 4.32Å; L44-Y93 HydrophobicContact CG-CE1 3.92Å; L60-Y93 CarbonylContact O-C 3.56Å; L60-Y93 VanDerWaalsContact O-CA 3.25Å; L60-Y93 WeakPolarHBondContact O-CA 3.36Å; P61-Y93 HydrophobicContact CB-CE1 4.4Å; P61-Y93 HydrophobicContact CG-CD1 4.35Å; P61-Y93 HydrophobicContact CG-CE1 4.08Å; H90-Y93 PolarHBondContact O-OH 2.89Å; H90-Y93 VanDerWaalsContact O-OH 3.07Å; Y93-I107 PolarHBondContact N-O 3.07Å; Y93-I107 PolarHBondContact O-N 3.11Å; Y93-T109 HydrophobicContact CD2-CG2 4.01Å; Y93-T109 HydrophobicContact CE2-CG2 4.04Å
94	Q	77.9	Confident	63.7	Low	97 Å²	97	74.6 Å²	74.6	45%	0.453	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.7	174.9	-80.5	-177.1	-0.7	0	0	110.3	L60 S62 A105 A106	L60-Q94 PolarHBondContact N-O 2.79Å; L60-Q94 PolarHBondContact O-N 3.31Å; S62-Q94 VanDerWaalsContact OG-CD 3.22Å; S62-Q94 WeakPolarHBondContact OG-CG 3.46Å; S62-Q94 PolarHBondContact OG-NE2 3.18Å; Q94-A105 CarbonylContact C-O 3.6Å; Q94-A105 WeakPolarHBondContact CA-O 3.47Å; Q94-A106 HydrophobicContact CG-CB 4.4Å
95	G	81.8	Confident	65.8	Low	18 Å²	18	72.6 Å²	72.6	19%	0.186	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-157.3	-177.1	0	0	0	0	0	113.9	D58 S104 A105	D58-G95 WeakPolarHBondContact O-CA 3.4Å; G95-S104 CarbonylContact O-C 3.53Å; G95-S104 WeakPolarHBondContact O-CA 2.97Å; G95-A105 PolarHBondContact N-O 3.08Å; G95-A105 PolarHBondContact O-N 3.05Å
96	F	83.6	Confident	67.9	Low	96 Å²	96	69.1 Å²	69.1	42%	0.421	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	166.2	-176.1	52.1	-91.8	0	0	0	110.5	D58 S103	D58-F96 HydrophobicContact CB-CD2 4.37Å; D58-F96 HydrophobicContact CB-CE2 3.98Å; D58-F96 HydrophobicContact CB-CZ 4.18Å; D58-F96 PolarHBondContact N-O 3.34Å; D58-F96 PolarHBondContact O-N 3.43Å; D58-F96 VanDerWaalsContact O-N 3.11Å; F96-S103 VanDerWaalsContact CB-O 3.3Å; F96-S103 WeakPolarHBondContact CB-O 3.5Å
97	I	83.4	Confident	69.8	Low	5 Å²	5	61.4 Å²	61.4	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	128.4	170.9	-56.5	168.7	0	0	0	108.4	M55 H56 L57 N99 M100 S103 I117 V119	M55-I97 HydrophobicContact CB-CD1 4.32Å; M55-I97 HydrophobicContact CB-CG2 4.4Å; M55-I97 HydrophobicContact CG-CD1 3.94Å; M55-I97 HydrophobicContact SD-CD1 3.78Å; H56-I97 CarbonylContact O-C 3.56Å; H56-I97 VanDerWaalsContact O-CA 3.28Å; H56-I97 WeakPolarHBondContact O-CA 3.23Å; L57-I97 HydrophobicContact CD2-CG1 3.73Å; I97-N99 PolarHBondContact O-N 3.36Å; I97-M100 HydrophobicContact CB-CB 4.41Å; I97-M100 PolarHBondContact O-N 3.38Å; I97-S103 WeakPolarHBondContact CA-OG 3.13Å; I97-S103 VanDerWaalsContact CB-OG 3.3Å; I97-S103 WeakPolarHBondContact CB-OG 3.48Å; I97-S103 PolarHBondContact N-OG 3.06Å; I97-I117 HydrophobicContact CD1-CG2 3.87Å; I97-I117 HydrophobicContact CG1-CG2 4.37Å; I97-V119 HydrophobicContact CD1-CG2 3.36Å
98	R	77.3	Confident	71.6	Confident	72 Å²	72	60.3 Å²	60.3	27%	0.272	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.5	177.4	-168.6	175.4	-70.5	-171.7	0	110.9	S20 H45 H56 D58 M100	S20-R98 PolarHBondContact O-NH1 2.99Å; S20-R98 PolarHBondContact O-NH2 2.82Å; H45-R98 PolarHBondContact ND1-NH2 2.83Å; H56-R98 HydrophobicContact CB-CB 4.14Å; H56-R98 VanDerWaalsContact CE1-CZ 3.48Å; H56-R98 PolarHBondContact CE1-NH1 3.3Å; H56-R98 PolarHBondContact O-N 2.89Å; D58-R98 IonicContact OD1-CZ 2.92Å; D58-R98 IonicContact OD1-NE 3.82Å; D58-R98 PolarHBondContact OD1-NE 3.34Å; D58-R98 IonicContact OD1-NH2 3.8Å; D58-R98 PolarHBondContact OD1-NH2 2.03Å; D58-R98 WeakPolarHBondContact OD2-CB 3.28Å; D58-R98 IonicContact OD2-CZ 2.98Å; D58-R98 IonicContact OD2-NE 3.69Å; D58-R98 PolarHBondContact OD2-NE 2.83Å; D58-R98 IonicContact OD2-NH2 2.64Å; R98-M100 PolarHBondContact O-N 3.43Å
99	N	70.1	Confident	73.1	Confident	165 Å²	165	56.7 Å²	56.7	88%	0.882	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	10.2	-172.9	-61.9	-19	0	0	0	115.8	I97	I97-N99 PolarHBondContact O-N 3.36Å
100	M	71.8	Confident	73.9	Confident	68 Å²	68	53.4 Å²	53.4	34%	0.335	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	88.7	172.9	-62.8	-171.9	79.1	0	0	111.3	I97 R98 S102 S103 V119	I97-M100 HydrophobicContact CB-CB 4.41Å; I97-M100 PolarHBondContact O-N 3.38Å; R98-M100 PolarHBondContact O-N 3.43Å; M100-S102 PolarHBondContact O-N 2.9Å; M100-S103 WeakPolarHBondContact O-CB 3.44Å; M100-S103 PolarHBondContact O-N 3.14Å; M100-S103 VanDerWaalsContact O-N 3.12Å; M100-S103 PolarHBondContact O-OG 2.96Å; M100-V119 HydrophobicContact CE-CG1 3.42Å; M100-V119 VanDerWaalsContact CE-CG1 3.42Å; M100-V119 HydrophobicContact SD-CG1 3.95Å
101	S	60	Low	74.4	Confident	125 Å²	125	50.1 Å²	50.1	87%	0.874	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-16.2	-176.7	52.5	0	0	0	0	115.2
102	S	69.4	Low	74.7	Confident	82 Å²	82	49.9 Å²	49.9	57%	0.573	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	3.8	174.6	59	0	0	0	0	114	M100	M100-S102 PolarHBondContact O-N 2.9Å
103	S	76.4	Confident	75.3	Confident	7 Å²	7	48.1 Å²	48.1	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	147.6	177.9	69.7	0	0	0	0	111.3	F96 I97 M100 R118	F96-S103 VanDerWaalsContact CB-O 3.3Å; F96-S103 WeakPolarHBondContact CB-O 3.5Å; I97-S103 WeakPolarHBondContact CA-OG 3.13Å; I97-S103 VanDerWaalsContact CB-OG 3.3Å; I97-S103 WeakPolarHBondContact CB-OG 3.48Å; I97-S103 PolarHBondContact N-OG 3.06Å; M100-S103 WeakPolarHBondContact O-CB 3.44Å; M100-S103 PolarHBondContact O-N 3.14Å; M100-S103 VanDerWaalsContact O-N 3.12Å; M100-S103 PolarHBondContact O-OG 2.96Å; S103-R118 WeakPolarHBondContact CA-O 3.3Å; S103-R118 VanDerWaalsContact CB-O 3.31Å; S103-R118 WeakPolarHBondContact CB-O 3.07Å
104	S	81.8	Confident	75.5	Confident	57 Å²	57	48 Å²	48	40%	0.399	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.8	176.5	67.7	0	0	0	0	110	G95 R118	G95-S104 CarbonylContact O-C 3.53Å; G95-S104 WeakPolarHBondContact O-CA 2.97Å; S104-R118 PolarHBondContact N-O 2.97Å; S104-R118 PolarHBondContact O-N 3.1Å
105	A	80.4	Confident	75.5	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134	177.6	0	0	0	0	0	110.4	L57 L59 Q94 G95 I107 L116 I117	L57-A105 HydrophobicContact CD2-CB 3.79Å; L59-A105 HydrophobicContact CD2-CB 4.14Å; Q94-A105 CarbonylContact C-O 3.6Å; Q94-A105 WeakPolarHBondContact CA-O 3.47Å; G95-A105 PolarHBondContact N-O 3.08Å; G95-A105 PolarHBondContact O-N 3.05Å; A105-I107 HydrophobicContact CB-CG1 4.25Å; A105-L116 CarbonylContact C-O 3.53Å; A105-L116 VanDerWaalsContact CA-O 3.31Å; A105-L116 WeakPolarHBondContact CA-O 3.5Å; A105-I117 HydrophobicContact CB-CG1 4.33Å
106	A	80	Confident	75.3	Confident	45 Å²	45	46 Å²	46	37%	0.372	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	111.2	173.1	0	0	0	0	0	108	Q94 G115 L116	Q94-A106 HydrophobicContact CG-CB 4.4Å; A106-G115 CarbonylContact O-C 3.43Å; A106-G115 WeakPolarHBondContact O-CA 3.39Å; A106-L116 PolarHBondContact N-O 2.88Å; A106-L116 PolarHBondContact O-N 2.97Å
107	I	78.8	Confident	75.3	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.9	-164	-56.4	-65.3	0	0	0	110.3	L57 L59 Y93 A105 L113 I117 I126	L57-I107 HydrophobicContact CD1-CG1 4.48Å; L59-I107 HydrophobicContact CD1-CB 4.03Å; L59-I107 HydrophobicContact CD1-CG1 4.19Å; L59-I107 HydrophobicContact CD1-CG2 4.35Å; L59-I107 HydrophobicContact CD2-CG1 4.27Å; Y93-I107 PolarHBondContact N-O 3.07Å; Y93-I107 PolarHBondContact O-N 3.11Å; A105-I107 HydrophobicContact CB-CG1 4.25Å; I107-L113 HydrophobicContact CG2-CB 4.45Å; I107-L113 HydrophobicContact CG2-CD2 3.37Å; I107-L113 HydrophobicContact CG2-CG 4.5Å; I107-I117 HydrophobicContact CD1-CD1 4.37Å; I107-I117 HydrophobicContact CD1-CG1 3.91Å; I107-I126 HydrophobicContact CD1-CG2 3.85Å
108	S	78.4	Confident	75	Confident	25 Å²	25	45.2 Å²	45.2	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.1	169.6	178	0	0	0	0	110	C91 C110 L113 A114	C91-S108 CarbonylContact O-C 3.59Å; C91-S108 WeakPolarHBondContact O-CA 3.47Å; S108-C110 PolarHBondContact OG-N 2.99Å; S108-C110 PolarHBondContact OG-SG 3.42Å; S108-L113 WeakPolarHBondContact O-CA 3.04Å; S108-A114 WeakPolarHBondContact CB-O 3Å; S108-A114 PolarHBondContact N-O 3.4Å; S108-A114 PolarHBondContact O-N 2.75Å
109	T	75.2	Confident	75.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.266	C	S	.	.			trans	-112.6	11.9	175.1	66.8	0	0	0	0	112.4	R31 Y46 C91 Y93 S111 G112 L113	R31-T109 PolarHBondContact N-O 2.95Å; Y46-T109 HydrophobicContact CE2-CG2 4.27Å; C91-T109 PolarHBondContact O-N 3.24Å; C91-T109 PolarHBondContact O-OG1 3.11Å; Y93-T109 HydrophobicContact CD2-CG2 4.01Å; Y93-T109 HydrophobicContact CE2-CG2 4.04Å; T109-S111 VanDerWaalsContact C-N 3.32Å; T109-S111 PolarHBondContact O-N 3.18Å; T109-G112 CarbonylContact C-O 3.58Å; T109-G112 WeakPolarHBondContact CA-O 3.45Å; T109-L113 HydrophobicContact CG2-CD2 3.87Å
110	C	65.9	Low	75.1	Confident	22 Å²	22	38.4 Å²	38.4	15%	0.149	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.6	-170.2	-46.4	0	0	0	0	113.5	R32 C91 S108	R32-C110 PolarHBondContact NE-O 3.39Å; C91-C110 HydrophobicContact CB-CB 3.91Å; C91-C110 WeakPolarHBondContact CB-SG 3.44Å; C91-C110 WeakPolarHBondContact SG-CB 3.17Å; C91-C110 CovalentContact SG-SG 2.03Å; C91-C110 PolarHBondContact SG-SG 2.85Å; S108-C110 PolarHBondContact OG-N 2.99Å; S108-C110 PolarHBondContact OG-SG 3.42Å
111	S	64.8	Low	74.6	Confident	82 Å²	82	43.2 Å²	43.2	57%	0.573	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.2	43.7	-176.3	56.4	0	0	0	0	111.1	T109 P128	T109-S111 VanDerWaalsContact C-N 3.32Å; T109-S111 PolarHBondContact O-N 3.18Å; S111-P128 VanDerWaalsContact O-CG 3.26Å; S111-P128 WeakPolarHBondContact O-CG 3.08Å
112	G	71.9	Confident	75	Confident	3 Å²	3	41 Å²	41	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	97.2	175.7	-165.5	0	0	0	0	0	111.3	T109 A114	T109-G112 CarbonylContact C-O 3.58Å; T109-G112 WeakPolarHBondContact CA-O 3.45Å; G112-A114 PolarHBondContact O-N 3.42Å
113	L	77.6	Confident	75.4	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	24%	0.241	C	C	.	.	S	Bend	trans	-77.3	107.9	174.9	-73.1	164.5	0	0	0	109	P15 V29 Y46 I107 S108 T109 I126 H148	P15-L113 HydrophobicContact CB-CD1 3.45Å; P15-L113 VanDerWaalsContact CB-CD1 3.45Å; P15-L113 HydrophobicContact CG-CD1 3.48Å; P15-L113 VanDerWaalsContact CG-CD1 3.48Å; V29-L113 HydrophobicContact CB-CD1 3.71Å; V29-L113 HydrophobicContact CB-CG 3.85Å; V29-L113 HydrophobicContact CG1-CD1 3.77Å; V29-L113 HydrophobicContact CG1-CG 4.46Å; V29-L113 HydrophobicContact CG2-CD1 4.08Å; V29-L113 HydrophobicContact CG2-CG 4.03Å; Y46-L113 HydrophobicContact CD1-CD1 3.96Å; Y46-L113 HydrophobicContact CD2-CD2 3.97Å; Y46-L113 HydrophobicContact CE1-CD1 4.15Å; Y46-L113 HydrophobicContact CE1-CD2 4.4Å; Y46-L113 HydrophobicContact CE2-CD2 3.75Å; Y46-L113 HydrophobicContact CG-CD1 4.19Å; Y46-L113 HydrophobicContact CG-CD2 4.38Å; I107-L113 HydrophobicContact CG2-CB 4.45Å; I107-L113 HydrophobicContact CG2-CD2 3.37Å; I107-L113 HydrophobicContact CG2-CG 4.5Å; S108-L113 WeakPolarHBondContact O-CA 3.04Å; T109-L113 HydrophobicContact CG2-CD2 3.87Å; L113-I126 HydrophobicContact CB-CD1 4.2Å; L113-H148 PolarHBondContact N-NE2 3.39Å; L113-H148 PolarHBondContact O-CD2 2.83Å
114	A	78.6	Confident	75.7	Confident	29 Å²	29	40 Å²	40	24%	0.24	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.8	176.9	0	0	0	0	0	109.8	S108 G112 I126	S108-A114 WeakPolarHBondContact CB-O 3Å; S108-A114 PolarHBondContact N-O 3.4Å; S108-A114 PolarHBondContact O-N 2.75Å; G112-A114 PolarHBondContact O-N 3.42Å; A114-I126 CarbonylContact C-O 3.47Å; A114-I126 VanDerWaalsContact CA-O 3.26Å; A114-I126 WeakPolarHBondContact CA-O 3.04Å
115	G	78.3	Confident	75.7	Confident	24 Å²	24	38.9 Å²	38.9	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.8	-169.8	-179.5	0	0	0	0	0	115.4	A106 L125 I126	A106-G115 CarbonylContact O-C 3.43Å; A106-G115 WeakPolarHBondContact O-CA 3.39Å; G115-L125 WeakPolarHBondContact O-CA 3.43Å; G115-I126 PolarHBondContact N-O 2.76Å; G115-I126 PolarHBondContact O-N 3.36Å
116	L	77.8	Confident	75.8	Confident	49 Å²	49	39 Å²	39	26%	0.257	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.5	-174	-178.4	70.2	0	0	0	110.2	A105 A106 R118 E123 L125	A105-L116 CarbonylContact C-O 3.53Å; A105-L116 VanDerWaalsContact CA-O 3.31Å; A105-L116 WeakPolarHBondContact CA-O 3.5Å; A106-L116 PolarHBondContact N-O 2.88Å; A106-L116 PolarHBondContact O-N 2.97Å; L116-R118 HydrophobicContact CD2-CG 4.09Å; L116-R118 HydrophobicContact CG-CG 4.21Å; L116-E123 HydrophobicContact CD1-CB 4.19Å; L116-L125 HydrophobicContact CD1-CG 4.27Å
117	I	82.7	Confident	76	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.4	173.1	-54.8	171.6	0	0	0	107.5	L48 M55 L57 I97 A105 I107 V119 Y124 I126	L48-I117 HydrophobicContact CD2-CD1 4.27Å; M55-I117 HydrophobicContact SD-CG2 4.07Å; L57-I117 HydrophobicContact CD1-CD1 4.04Å; L57-I117 HydrophobicContact CD2-CD1 4.28Å; L57-I117 HydrophobicContact CD2-CG1 4.46Å; L57-I117 HydrophobicContact CD2-CG2 4.35Å; I97-I117 HydrophobicContact CD1-CG2 3.87Å; I97-I117 HydrophobicContact CG1-CG2 4.37Å; A105-I117 HydrophobicContact CB-CG1 4.33Å; I107-I117 HydrophobicContact CD1-CD1 4.37Å; I107-I117 HydrophobicContact CD1-CG1 3.91Å; I117-V119 HydrophobicContact CG2-CG2 4.09Å; I117-Y124 PolarHBondContact N-O 2.82Å; I117-Y124 PolarHBondContact O-N 2.8Å; I117-I126 HydrophobicContact CD1-CG2 4.45Å
118	R	78	Confident	76.2	Confident	85 Å²	85	39.9 Å²	39.9	32%	0.321	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.2	175.9	-66.5	-174.7	163.6	155	0.3	109.9	S103 S104 L116 E123 E459	S103-R118 WeakPolarHBondContact CA-O 3.3Å; S103-R118 VanDerWaalsContact CB-O 3.31Å; S103-R118 WeakPolarHBondContact CB-O 3.07Å; S104-R118 PolarHBondContact N-O 2.97Å; S104-R118 PolarHBondContact O-N 3.1Å; L116-R118 HydrophobicContact CD2-CG 4.09Å; L116-R118 HydrophobicContact CG-CG 4.21Å; R118-E123 HydrophobicContact CG-CG 4.27Å; R118-E123 IonicContact CZ-OE1 2.66Å; R118-E123 VanDerWaalsContact CZ-OE1 3.24Å; R118-E123 IonicContact NE-OE1 3.72Å; R118-E123 PolarHBondContact NE-OE1 3.47Å; R118-E123 IonicContact NH2-OE1 3.87Å; R118-E123 PolarHBondContact NH2-OE1 2.59Å; R118-E459 IonicContact NH2-OE2 3.25Å; R118-E459 PolarHBondContact NH2-OE2 3.26Å
119	V	79.3	Confident	76.4	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	108.8	177.1	-169.5	0	0	0	0	109	M55 I97 M100 I117 N121 E122 Y124	M55-V119 HydrophobicContact SD-CG2 4.46Å; I97-V119 HydrophobicContact CD1-CG2 3.36Å; M100-V119 HydrophobicContact CE-CG1 3.42Å; M100-V119 VanDerWaalsContact CE-CG1 3.42Å; M100-V119 HydrophobicContact SD-CG1 3.95Å; I117-V119 HydrophobicContact CG2-CG2 4.09Å; V119-N121 PolarHBondContact O-N 3.44Å; V119-E122 PolarHBondContact N-O 3.3Å; V119-E122 PolarHBondContact O-N 3.04Å; V119-Y124 HydrophobicContact CB-CE2 4.33Å; V119-Y124 HydrophobicContact CG2-CD2 4.28Å; V119-Y124 HydrophobicContact CG2-CE2 4.19Å
120	S	70.1	Confident	76.5	Confident	84 Å²	84	41.1 Å²	41.1	59%	0.587	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	-95.2	-176.7	-53	0	0	0	0	113.3
121	N	61.8	Low	77	Confident	169 Å²	169	47.8 Å²	47.8	90%	0.904	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	5.3	-178.1	-74.1	-7.2	0	0	0	113.6	V119	V119-N121 PolarHBondContact O-N 3.44Å
122	E	66.9	Low	77.6	Confident	80 Å²	80	46.8 Å²	46.8	37%	0.374	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	177.4	-64.5	-142.3	138.5	0	0	112	V119 Y124 K152	V119-E122 PolarHBondContact N-O 3.3Å; V119-E122 PolarHBondContact O-N 3.04Å; E122-Y124 HydrophobicContact CB-CE1 4.5Å; E122-Y124 HydrophobicContact CB-CE2 4.1Å; E122-Y124 PolarHBondContact OE2-OH 2.95Å; E122-K152 IonicContact OE1-NZ 3.85Å; E122-K152 PolarHBondContact OE1-NZ 3.24Å; E122-K152 WeakPolarHBondContact OE2-CE 3.37Å; E122-K152 IonicContact OE2-NZ 2.83Å; E122-K152 PolarHBondContact OE2-NZ 3Å
123	E	78.9	Confident	77.7	Confident	56 Å²	56	46.7 Å²	46.7	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.6	177.6	-60	-165.7	139.2	0	0	110	L116 R118 R153	L116-E123 HydrophobicContact CD1-CB 4.19Å; R118-E123 HydrophobicContact CG-CG 4.27Å; R118-E123 IonicContact CZ-OE1 2.66Å; R118-E123 VanDerWaalsContact CZ-OE1 3.24Å; R118-E123 IonicContact NE-OE1 3.72Å; R118-E123 PolarHBondContact NE-OE1 3.47Å; R118-E123 IonicContact NH2-OE1 3.87Å; R118-E123 PolarHBondContact NH2-OE1 2.59Å; E123-R153 IonicContact OE2-NH1 2.81Å; E123-R153 PolarHBondContact OE2-NH1 3.11Å
124	Y	82.3	Confident	77.5	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.2	174.8	-53.9	-72	0	0	0	110	F51 I117 V119 E122 K152	F51-Y124 AromaticContact CD2-CD1 3.87Å; F51-Y124 HydrophobicContact CD2-CD1 3.87Å; F51-Y124 AromaticContact CD2-CE1 3.73Å; F51-Y124 HydrophobicContact CD2-CE1 3.73Å; F51-Y124 AromaticContact CE2-CD1 3.82Å; F51-Y124 HydrophobicContact CE2-CD1 3.82Å; F51-Y124 HydrophobicContact CE2-CE1 4.01Å; F51-Y124 HydrophobicContact CG-CE1 4.42Å; I117-Y124 PolarHBondContact N-O 2.82Å; I117-Y124 PolarHBondContact O-N 2.8Å; V119-Y124 HydrophobicContact CB-CE2 4.33Å; V119-Y124 HydrophobicContact CG2-CD2 4.28Å; V119-Y124 HydrophobicContact CG2-CE2 4.19Å; E122-Y124 HydrophobicContact CB-CE1 4.5Å; E122-Y124 HydrophobicContact CB-CE2 4.1Å; E122-Y124 PolarHBondContact OE2-OH 2.95Å; Y124-K152 HydrophobicContact CD1-CG 4.22Å; Y124-K152 HydrophobicContact CE1-CG 4.15Å
125	L	81.6	Confident	77.3	Confident	33 Å²	33	51.5 Å²	51.5	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.2	170.1	-65.2	109.8	0	0	0	109.2	G115 L116 V150 Y151 R153	G115-L125 WeakPolarHBondContact O-CA 3.43Å; L116-L125 HydrophobicContact CD1-CG 4.27Å; L125-V150 CarbonylContact O-C 3.55Å; L125-V150 VanDerWaalsContact O-CA 3.24Å; L125-V150 WeakPolarHBondContact O-CA 3.38Å; L125-Y151 HydrophobicContact CB-CD1 4.34Å; L125-Y151 HydrophobicContact CB-CD2 4.34Å; L125-Y151 HydrophobicContact CB-CE1 3.9Å; L125-Y151 HydrophobicContact CB-CE2 3.9Å; L125-Y151 HydrophobicContact CD1-CD2 4.38Å; L125-Y151 HydrophobicContact CD1-CE2 4.01Å; L125-Y151 HydrophobicContact CG-CE2 4.43Å; L125-Y151 PolarHBondContact N-O 2.96Å; L125-Y151 PolarHBondContact O-N 2.97Å; L125-R153 HydrophobicContact CD1-CB 4.01Å; L125-R153 HydrophobicContact CD1-CG 4.28Å
126	I	83.9	Confident	77.2	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.5	169.5	-174.1	166	0	0	0	109.1	V13 L48 I107 L113 A114 G115 I117 H148 V149 V150	V13-I126 HydrophobicContact CG2-CD1 4.34Å; L48-I126 HydrophobicContact CD2-CD1 3.97Å; I107-I126 HydrophobicContact CD1-CG2 3.85Å; L113-I126 HydrophobicContact CB-CD1 4.2Å; A114-I126 CarbonylContact C-O 3.47Å; A114-I126 VanDerWaalsContact CA-O 3.26Å; A114-I126 WeakPolarHBondContact CA-O 3.04Å; G115-I126 PolarHBondContact N-O 2.76Å; G115-I126 PolarHBondContact O-N 3.36Å; I117-I126 HydrophobicContact CD1-CG2 4.45Å; I126-H148 HydrophobicContact CD1-CB 4.18Å; I126-H148 HydrophobicContact CG1-CB 4.07Å; I126-V149 WeakPolarHBondContact CA-O 3.01Å; I126-V150 HydrophobicContact CB-CG2 4.08Å; I126-V150 HydrophobicContact CD1-CG2 3.98Å; I126-V150 HydrophobicContact CG1-CG2 3.92Å
127	S	82.9	Confident	76.9	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.3	172.1	66	0	0	0	0	111.2	H148 V149	S127-H148 CarbonylContact O-C 3.52Å; S127-H148 VanDerWaalsContact O-CA 3.25Å; S127-H148 WeakPolarHBondContact O-CA 3.26Å; S127-H148 WeakPolarHBondContact O-CB 3.07Å; S127-V149 PolarHBondContact N-O 2.82Å; S127-V149 PolarHBondContact O-N 3.37Å; S127-V149 WeakPolarHBondContact OG-CG1 3.39Å
128	P	84.4	Confident	76.4	Confident	53 Å²	53	64.5 Å²	64.5	34%	0.344	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	140	172	-23.6	33.5	0	0	0	111.2	S111 P130	S111-P128 VanDerWaalsContact O-CG 3.26Å; S111-P128 WeakPolarHBondContact O-CG 3.08Å; P128-P130 WeakPolarHBondContact O-CD 3.43Å
129	L	80.8	Confident	76.1	Confident	25 Å²	25	63.9 Å²	63.9	13%	0.131	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.1	117.9	-175.2	-178.9	64.7	0	0	0	111.1	F12 L133 A134 Y139 P147 V149	F12-L129 HydrophobicContact CD1-CD1 3.41Å; F12-L129 VanDerWaalsContact CD1-CD1 3.41Å; F12-L129 HydrophobicContact CE1-CD1 3.27Å; F12-L129 HydrophobicContact CG-CD1 4.17Å; F12-L129 HydrophobicContact CZ-CD1 3.91Å; L129-L133 HydrophobicContact CD1-CB 4.31Å; L129-A134 HydrophobicContact CD2-CB 3.91Å; L129-A134 HydrophobicContact CG-CB 4.27Å; L129-Y139 HydrophobicContact CD2-CD1 3.41Å; L129-Y139 VanDerWaalsContact CD2-CD1 3.41Å; L129-Y139 HydrophobicContact CD2-CE1 3.84Å; L129-Y139 HydrophobicContact CD2-CG 4.24Å; L129-P147 HydrophobicContact CB-CB 4.05Å; L129-P147 HydrophobicContact CB-CG 4.09Å; L129-P147 WeakPolarHBondContact CB-O 3.49Å; L129-P147 HydrophobicContact CD2-CB 3.92Å; L129-P147 HydrophobicContact CD2-CG 4.1Å; L129-P147 PolarHBondContact N-O 2.79Å; L129-V149 HydrophobicContact CD1-CB 4.11Å
130	P	79.1	Confident	75.2	Confident	26 Å²	26	68.8 Å²	68.8	17%	0.169	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.2	139.6	177.3	-22	34.8	0	0	0	112.3	P128 H132 L133 A134 V159	P128-P130 WeakPolarHBondContact O-CD 3.43Å; P130-H132 VanDerWaalsContact CB-CE1 3.42Å; P130-H132 WeakPolarHBondContact CB-CE1 3.45Å; P130-H132 WeakPolarHBondContact CB-ND1 3.4Å; P130-H132 PolarHBondContact O-N 3.41Å; P130-L133 HydrophobicContact CG-CD1 4.22Å; P130-L133 PolarHBondContact O-N 3.11Å; P130-A134 PolarHBondContact O-N 3.17Å; P130-V159 HydrophobicContact CG-CG1 3.95Å
131	Q	74.9	Confident	74.9	Confident	163 Å²	163	66.6 Å²	66.6	76%	0.762	35%	0.347	S	S	*	.	H	α-helix	trans	-53.2	-47	-179.8	-95.9	175.8	-25	0	0	113.3	L133 A134 D135	Q131-L133 PolarHBondContact O-N 2.65Å; Q131-L133 VanDerWaalsContact O-N 3.13Å; Q131-A134 WeakPolarHBondContact O-CA 3.37Å; Q131-A134 WeakPolarHBondContact O-CB 3.46Å; Q131-A134 PolarHBondContact O-N 3.18Å; Q131-D135 PolarHBondContact O-N 3.46Å
132	H	76.9	Confident	75.1	Confident	61 Å²	61	62.3 Å²	62.3	28%	0.282	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-25.6	-180	73.8	-80.3	0	0	0	114.2	P130 R136 V159	P130-H132 VanDerWaalsContact CB-CE1 3.42Å; P130-H132 WeakPolarHBondContact CB-CE1 3.45Å; P130-H132 WeakPolarHBondContact CB-ND1 3.4Å; P130-H132 PolarHBondContact O-N 3.41Å; H132-R136 VanDerWaalsContact O-CB 3.22Å; H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 3.02Å; H132-V159 PolarHBondContact CE1-O 2.65Å; H132-V159 PolarHBondContact NE2-O 2.82Å
133	L	75.6	Confident	74.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-82.9	-35.7	173.4	-80.8	176	0	0	0	111.6	Y10 F12 L129 P130 Q131 H137 V159	Y10-L133 HydrophobicContact CE2-CD2 4.43Å; F12-L133 HydrophobicContact CZ-CB 4.42Å; L129-L133 HydrophobicContact CD1-CB 4.31Å; P130-L133 HydrophobicContact CG-CD1 4.22Å; P130-L133 PolarHBondContact O-N 3.11Å; Q131-L133 PolarHBondContact O-N 2.65Å; Q131-L133 VanDerWaalsContact O-N 3.13Å; L133-H137 PolarHBondContact O-CD2 3.22Å; L133-H137 PolarHBondContact O-N 3.47Å; L133-V159 HydrophobicContact CD1-CB 4.21Å; L133-V159 HydrophobicContact CD1-CG1 4.01Å; L133-V159 HydrophobicContact CD1-CG2 4.09Å
134	A	72.6	Confident	73.6	Confident	16 Å²	16	70 Å²	70	13%	0.132	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-45.7	172.8	0	0	0	0	0	110.9	L129 P130 Q131 H137 N138 Y139	L129-A134 HydrophobicContact CD2-CB 3.91Å; L129-A134 HydrophobicContact CG-CB 4.27Å; P130-A134 PolarHBondContact O-N 3.17Å; Q131-A134 WeakPolarHBondContact O-CA 3.37Å; Q131-A134 WeakPolarHBondContact O-CB 3.46Å; Q131-A134 PolarHBondContact O-N 3.18Å; A134-H137 PolarHBondContact O-N 2.69Å; A134-N138 PolarHBondContact O-N 2.02Å; A134-Y139 PolarHBondContact O-N 2.94Å
135	D	75.1	Confident	72.9	Confident	116 Å²	116	72 Å²	72	62%	0.62	38%	0.38	S	S	*	.	H	α-helix	trans	-67.1	-42.8	178.6	-60	-28.2	0	0	0	111.5	Q131 H137 N138	Q131-D135 PolarHBondContact O-N 3.46Å; D135-H137 PolarHBondContact O-N 3.17Å; D135-N138 PolarHBondContact O-N 3.11Å
136	R	75.2	Confident	72.5	Confident	144 Å²	144	74.1 Å²	74.1	54%	0.543	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-33.2	178.4	-176	-175.7	-64.6	176.9	3.2	112.8	H132	H132-R136 VanDerWaalsContact O-CB 3.22Å; H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 3.02Å
137	H	71.4	Confident	72.3	Confident	52 Å²	52	75.4 Å²	75.4	24%	0.241	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	11.1	-176.1	-71.7	-76.6	0	0	0	113.7	Y10 F12 L133 A134 D135 Y139	Y10-H137 AromaticContact CE2-NE2 3.93Å; Y10-H137 AromaticContact CZ-NE2 3.8Å; Y10-H137 PolarHBondContact OH-NE2 2.89Å; F12-H137 HydrophobicContact CE2-CB 3.88Å; F12-H137 HydrophobicContact CZ-CB 4.35Å; F12-H137 AromaticContact CZ-CD2 3.78Å; L133-H137 PolarHBondContact O-CD2 3.22Å; L133-H137 PolarHBondContact O-N 3.47Å; A134-H137 PolarHBondContact O-N 2.69Å; D135-H137 PolarHBondContact O-N 3.17Å; H137-Y139 PolarHBondContact O-N 2.82Å; H137-Y139 VanDerWaalsContact O-N 3.15Å
138	N	72	Confident	72.4	Confident	151 Å²	151	74.8 Å²	74.8	81%	0.807	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	39	-175.9	-91.9	-10.4	0	0	0	113.2	A134 D135	A134-N138 PolarHBondContact O-N 2.02Å; D135-N138 PolarHBondContact O-N 3.11Å
139	Y	71.7	Confident	72.5	Confident	72 Å²	72	72.2 Å²	72.2	28%	0.282	38%	0.377	S	S	.	.			trans	-89.9	120.8	-177.2	-175.7	-89.1	0	0	0	110.6	F12 L129 A134 H137 A141 P147	F12-Y139 HydrophobicContact CB-CE2 4.44Å; F12-Y139 AromaticContact CD2-CD2 3.94Å; F12-Y139 HydrophobicContact CD2-CD2 3.94Å; F12-Y139 HydrophobicContact CD2-CE2 4.43Å; F12-Y139 HydrophobicContact CD2-CG 4.13Å; L129-Y139 HydrophobicContact CD2-CD1 3.41Å; L129-Y139 VanDerWaalsContact CD2-CD1 3.41Å; L129-Y139 HydrophobicContact CD2-CE1 3.84Å; L129-Y139 HydrophobicContact CD2-CG 4.24Å; A134-Y139 PolarHBondContact O-N 2.94Å; H137-Y139 PolarHBondContact O-N 2.82Å; H137-Y139 VanDerWaalsContact O-N 3.15Å; Y139-A141 HydrophobicContact CE1-CB 4.18Å; Y139-P147 HydrophobicContact CE1-CB 3.63Å; Y139-P147 HydrophobicContact CE1-CG 4.29Å
140	S	61.6	Low	72.7	Confident	111 Å²	111	71 Å²	71	78%	0.776	37%	0.371	S	S	*	.			trans	-122.4	121.4	175.3	-61.8	0	0	0	0	109.9
141	A	63.4	Low	72.9	Confident	38 Å²	38	70.1 Å²	70.1	31%	0.314	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-81.5	147.3	178.4	0	0	0	0	0	111.5	Y139 H145 P147	Y139-A141 HydrophobicContact CE1-CB 4.18Å; A141-H145 HydrophobicContact CB-CB 4.47Å; A141-P147 HydrophobicContact CB-CB 4.15Å; A141-P147 HydrophobicContact CB-CG 3.83Å
142	P	66.5	Low	73	Confident	79 Å²	79	65 Å²	65	51%	0.513	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.6	153.7	173.1	-15.5	27.6	0	0	0	112.2	G144 H145	P142-G144 PolarHBondContact O-N 2.88Å; P142-H145 WeakPolarHBondContact O-CB 3.43Å; P142-H145 PolarHBondContact O-CD2 2.84Å; P142-H145 PolarHBondContact O-N 2.81Å; P142-H145 VanDerWaalsContact O-N 3.08Å
143	Y	55.1	Low	72.4	Confident	244 Å²	244	67 Å²	67	96%	0.957	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	122.5	-177.2	-165.9	-94.4	0	0	0	111.4
144	G	58.1	Low	71.8	Confident	54 Å²	54	71.2 Å²	71.2	56%	0.557	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-1	-178.2	0	0	0	0	0	115.8	P142	P142-G144 PolarHBondContact O-N 2.88Å
145	H	68.6	Low	71.3	Confident	55 Å²	55	70.6 Å²	70.6	26%	0.255	37%	0.368	S	S	.	.			trans	-98.7	133.7	176.2	-65.5	-113	0	0	0	111.1	T14 H27 A141 P142 P147	T14-H145 HydrophobicContact CG2-CB 3.91Å; H27-H145 AromaticContact CD2-CE1 3.17Å; H27-H145 PolarHBondContact CD2-CE1 2.88Å; H27-H145 AromaticContact CD2-ND1 3.64Å; H27-H145 AromaticContact CD2-NE2 3.7Å; H27-H145 AromaticContact CE1-CE1 3.46Å; H27-H145 PolarHBondContact CE1-CE1 2.85Å; H27-H145 VanDerWaalsContact CE1-CE1 3.46Å; H27-H145 AromaticContact CE1-ND1 3.63Å; H27-H145 AromaticContact CG-CE1 3.57Å; H27-H145 AromaticContact CG-ND1 3.51Å; H27-H145 AromaticContact ND1-CE1 3.69Å; H27-H145 AromaticContact ND1-ND1 3.46Å; H27-H145 PolarHBondContact ND1-ND1 2.88Å; H27-H145 AromaticContact NE2-CE1 3.17Å; H27-H145 PolarHBondContact NE2-CE1 3.31Å; H27-H145 AromaticContact NE2-ND1 3.77Å; A141-H145 HydrophobicContact CB-CB 4.47Å; P142-H145 WeakPolarHBondContact O-CB 3.43Å; P142-H145 PolarHBondContact O-CD2 2.84Å; P142-H145 PolarHBondContact O-N 2.81Å; P142-H145 VanDerWaalsContact O-N 3.08Å; H145-P147 VanDerWaalsContact O-CD 3.23Å; H145-P147 WeakPolarHBondContact O-CD 3.41Å
146	H	72.4	Confident	70.8	Confident	76 Å²	76	68.7 Å²	68.7	35%	0.352	36%	0.356	S	S	.	.			trans	-97.6	102.3	174.5	-63.5	91.1	0	0	0	109.6	D28 V29 H148	D28-H146 IonicContact OD1-CE1 3.76Å; V29-H146 HydrophobicContact CG2-CB 4.22Å; H146-H148 PolarHBondContact O-CE1 2.85Å; H146-H148 VanDerWaalsContact O-CE1 3.29Å; H146-H148 PolarHBondContact O-ND1 3.43Å
147	P	79.9	Confident	70	Confident	33 Å²	33	68.9 Å²	68.9	21%	0.214	36%	0.363	C	S	.	.			trans	-74.2	140.9	-179.7	31.6	-35.9	0	0	0	111.4	L129 Y139 A141 H145	L129-P147 HydrophobicContact CB-CB 4.05Å; L129-P147 HydrophobicContact CB-CG 4.09Å; L129-P147 WeakPolarHBondContact CB-O 3.49Å; L129-P147 HydrophobicContact CD2-CB 3.92Å; L129-P147 HydrophobicContact CD2-CG 4.1Å; L129-P147 PolarHBondContact N-O 2.79Å; Y139-P147 HydrophobicContact CE1-CB 3.63Å; Y139-P147 HydrophobicContact CE1-CG 4.29Å; A141-P147 HydrophobicContact CB-CB 4.15Å; A141-P147 HydrophobicContact CB-CG 3.83Å; H145-P147 VanDerWaalsContact O-CD 3.23Å; H145-P147 WeakPolarHBondContact O-CD 3.41Å
148	H	86	Confident	69.6	Low	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.8	178.9	-67.3	71.2	0	0	0	109.6	F12 V13 P15 L113 I126 S127 H146	F12-H148 CarbonylContact C-O 3.55Å; F12-H148 WeakPolarHBondContact CA-O 3.38Å; V13-H148 HydrophobicContact CG2-CB 3.93Å; V13-H148 PolarHBondContact N-O 2.01Å; V13-H148 PolarHBondContact O-N 3.19Å; V13-H148 VanDerWaalsContact O-O 3.11Å; P15-H148 WeakPolarHBondContact CD-ND1 2.97Å; P15-H148 HydrophobicContact CG-CB 4.45Å; P15-H148 WeakPolarHBondContact CG-ND1 3.42Å; L113-H148 PolarHBondContact N-NE2 3.39Å; L113-H148 PolarHBondContact O-CD2 2.83Å; I126-H148 HydrophobicContact CD1-CB 4.18Å; I126-H148 HydrophobicContact CG1-CB 4.07Å; S127-H148 CarbonylContact O-C 3.52Å; S127-H148 VanDerWaalsContact O-CA 3.25Å; S127-H148 WeakPolarHBondContact O-CA 3.26Å; S127-H148 WeakPolarHBondContact O-CB 3.07Å; H146-H148 PolarHBondContact O-CE1 2.85Å; H146-H148 VanDerWaalsContact O-CE1 3.29Å; H146-H148 PolarHBondContact O-ND1 3.43Å
149	V	85.8	Confident	69.1	Low	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131	169.9	61	0	0	0	0	108.6	Y10 V11 F12 I126 S127 L129 Y151 V159	Y10-V149 HydrophobicContact CD2-CG2 4.1Å; Y10-V149 HydrophobicContact CG-CG2 4.43Å; V11-V149 WeakPolarHBondContact O-CA 3.04Å; F12-V149 HydrophobicContact CD1-CB 4.05Å; F12-V149 HydrophobicContact CD1-CG2 3.9Å; F12-V149 HydrophobicContact CE1-CB 4.34Å; F12-V149 HydrophobicContact CE1-CG2 4Å; I126-V149 WeakPolarHBondContact CA-O 3.01Å; S127-V149 PolarHBondContact N-O 2.82Å; S127-V149 PolarHBondContact O-N 3.37Å; S127-V149 WeakPolarHBondContact OG-CG1 3.39Å; L129-V149 HydrophobicContact CD1-CB 4.11Å; V149-Y151 HydrophobicContact CG1-CD1 4.07Å; V149-Y151 HydrophobicContact CG1-CE1 4.26Å; V149-Y151 HydrophobicContact CG2-CD1 4.26Å; V149-V159 HydrophobicContact CG1-CG1 4.05Å
150	V	83.8	Confident	68.5	Low	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.6	170.1	180	0	0	0	0	107.9	Y10 V11 V13 L48 A50 F51 L125 I126	Y10-V150 CarbonylContact C-O 3.6Å; Y10-V150 WeakPolarHBondContact CA-O 3.36Å; V11-V150 PolarHBondContact N-O 3.38Å; V11-V150 PolarHBondContact O-N 2.94Å; V13-V150 HydrophobicContact CB-CG2 4.4Å; V13-V150 HydrophobicContact CG1-CB 4.38Å; V13-V150 HydrophobicContact CG1-CG2 3.97Å; V13-V150 HydrophobicContact CG2-CG2 3.51Å; L48-V150 HydrophobicContact CD1-CG2 4.23Å; A50-V150 HydrophobicContact CB-CB 3.95Å; A50-V150 HydrophobicContact CB-CG1 3.81Å; A50-V150 HydrophobicContact CB-CG2 4.21Å; F51-V150 HydrophobicContact CD2-CG1 4.5Å; F51-V150 HydrophobicContact CE2-CG1 4.11Å; L125-V150 CarbonylContact O-C 3.55Å; L125-V150 VanDerWaalsContact O-CA 3.24Å; L125-V150 WeakPolarHBondContact O-CA 3.38Å; I126-V150 HydrophobicContact CB-CG2 4.08Å; I126-V150 HydrophobicContact CD1-CG2 3.98Å; I126-V150 HydrophobicContact CG1-CG2 3.92Å
151	Y	83.9	Confident	68	Low	7 Å²	7	67.3 Å²	67.3	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.2	-172.7	61	-81.4	0	0	0	112.3	H9 Y10 L125 V149 A155 E156 V159	H9-Y151 WeakPolarHBondContact O-CA 3.45Å; Y10-Y151 VanDerWaalsContact CB-CB 3.45Å; L125-Y151 HydrophobicContact CB-CD1 4.34Å; L125-Y151 HydrophobicContact CB-CD2 4.34Å; L125-Y151 HydrophobicContact CB-CE1 3.9Å; L125-Y151 HydrophobicContact CB-CE2 3.9Å; L125-Y151 HydrophobicContact CD1-CD2 4.38Å; L125-Y151 HydrophobicContact CD1-CE2 4.01Å; L125-Y151 HydrophobicContact CG-CE2 4.43Å; L125-Y151 PolarHBondContact N-O 2.96Å; L125-Y151 PolarHBondContact O-N 2.97Å; V149-Y151 HydrophobicContact CG1-CD1 4.07Å; V149-Y151 HydrophobicContact CG1-CE1 4.26Å; V149-Y151 HydrophobicContact CG2-CD1 4.26Å; Y151-A155 HydrophobicContact CD2-CB 4.32Å; Y151-E156 HydrophobicContact CE2-CB 3.92Å; Y151-E156 HydrophobicContact CE2-CG 4.06Å; Y151-V159 HydrophobicContact CD1-CG1 4.45Å; Y151-V159 HydrophobicContact CD1-CG2 4.24Å; Y151-V159 HydrophobicContact CD2-CG2 4.18Å; Y151-V159 HydrophobicContact CE1-CG1 4.13Å; Y151-V159 HydrophobicContact CG-CG2 4.05Å
152	K	77.5	Confident	66.7	Low	54 Å²	54	76.8 Å²	76.8	24%	0.235	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	149.3	170.4	-64.4	-170	177.9	-163.5	0	108.9	H9 F51 E122 Y124 S154 A155	H9-K152 PolarHBondContact O-N 2.85Å; F51-K152 HydrophobicContact CZ-CG 4.36Å; E122-K152 IonicContact OE1-NZ 3.85Å; E122-K152 PolarHBondContact OE1-NZ 3.24Å; E122-K152 WeakPolarHBondContact OE2-CE 3.37Å; E122-K152 IonicContact OE2-NZ 2.83Å; E122-K152 PolarHBondContact OE2-NZ 3Å; Y124-K152 HydrophobicContact CD1-CG 4.22Å; Y124-K152 HydrophobicContact CE1-CG 4.15Å; K152-S154 PolarHBondContact O-N 3.22Å; K152-A155 WeakPolarHBondContact O-CB 3.37Å; K152-A155 PolarHBondContact O-N 3.24Å
153	R	65.3	Low	65	Low	104 Å²	104	78.3 Å²	78.3	39%	0.392	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-52.1	-30.5	180	-163.5	169.7	-176.1	-179.6	-6.6	114.2	E123 L125 A155 E156 Q460	E123-R153 IonicContact OE2-NH1 2.81Å; E123-R153 PolarHBondContact OE2-NH1 3.11Å; L125-R153 HydrophobicContact CD1-CB 4.01Å; L125-R153 HydrophobicContact CD1-CG 4.28Å; R153-A155 PolarHBondContact O-N 3.33Å; R153-A155 VanDerWaalsContact O-N 3.14Å; R153-E156 WeakPolarHBondContact O-CB 3.37Å; R153-E156 PolarHBondContact O-N 2.87Å; R153-Q460 VanDerWaalsContact NH2-CG 3.33Å
154	S	62.9	Low	63.8	Low	88 Å²	88	72.4 Å²	72.4	62%	0.615	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-61	-18.2	174.5	63	0	0	0	0	114.8	H9 K152	H9-S154 PolarHBondContact ND1-OG 3.46Å; K152-S154 PolarHBondContact O-N 3.22Å
155	A	61.1	Low	62.4	Low	3 Å²	3	74.7 Å²	74.7	3%	0.025	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-98.7	-3.8	-174.9	0	0	0	0	0	113.9	H9 Y10 Y151 K152 R153 H157 V158 V159	H9-A155 HydrophobicContact CB-CB 3.78Å; H9-A155 WeakPolarHBondContact O-CB 3.43Å; Y10-A155 HydrophobicContact CD1-CB 4.48Å; Y151-A155 HydrophobicContact CD2-CB 4.32Å; K152-A155 WeakPolarHBondContact O-CB 3.37Å; K152-A155 PolarHBondContact O-N 3.24Å; R153-A155 PolarHBondContact O-N 3.33Å; R153-A155 VanDerWaalsContact O-N 3.14Å; A155-H157 VanDerWaalsContact C-N 3.32Å; A155-H157 PolarHBondContact O-N 3.26Å; A155-V158 WeakPolarHBondContact O-CB 3.37Å; A155-V158 PolarHBondContact O-N 3.45Å; A155-V159 PolarHBondContact O-N 3.15Å
156	E	64.2	Low	60.4	Low	76 Å²	76	76.8 Å²	76.8	36%	0.355	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-39.3	-169	-170.5	166.9	-159.1	0	0	113.1	Y151 R153 V158 V159 H160	Y151-E156 HydrophobicContact CE2-CB 3.92Å; Y151-E156 HydrophobicContact CE2-CG 4.06Å; R153-E156 WeakPolarHBondContact O-CB 3.37Å; R153-E156 PolarHBondContact O-N 2.87Å; E156-V158 PolarHBondContact O-N 2.88Å; E156-V159 PolarHBondContact O-N 3.46Å; E156-V159 VanDerWaalsContact O-N 3.11Å; E156-H160 PolarHBondContact O-N 3.18Å
157	H	58	Low	58.2	Low	149 Å²	149	82.3 Å²	82.3	69%	0.69	43%	0.432	S	S	*	.	H	α-helix	trans	-65.5	-21.3	177	-163.6	-61.5	0	0	0	113.2	A155	A155-H157 VanDerWaalsContact C-N 3.32Å; A155-H157 PolarHBondContact O-N 3.26Å
158	V	64.8	Low	55.6	Low	63 Å²	63	88.2 Å²	88.2	38%	0.382	46%	0.462	S	S	.	.	H	α-helix	trans	-83.9	-32.9	175.1	-175.9	0	0	0	0	110.9	Y10 A155 E156	Y10-V158 HydrophobicContact CE1-CG1 4.42Å; A155-V158 WeakPolarHBondContact O-CB 3.37Å; A155-V158 PolarHBondContact O-N 3.45Å; E156-V158 PolarHBondContact O-N 2.88Å
159	V	59.5	Low	52.9	Low	0 Å²	0	92.4 Å²	92.4	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-79.2	-20.8	-176.7	179.6	0	0	0	0	112.9	P130 H132 L133 V149 Y151 A155 E156	P130-V159 HydrophobicContact CG-CG1 3.95Å; H132-V159 PolarHBondContact CE1-O 2.65Å; H132-V159 PolarHBondContact NE2-O 2.82Å; L133-V159 HydrophobicContact CD1-CB 4.21Å; L133-V159 HydrophobicContact CD1-CG1 4.01Å; L133-V159 HydrophobicContact CD1-CG2 4.09Å; V149-V159 HydrophobicContact CG1-CG1 4.05Å; Y151-V159 HydrophobicContact CD1-CG1 4.45Å; Y151-V159 HydrophobicContact CD1-CG2 4.24Å; Y151-V159 HydrophobicContact CD2-CG2 4.18Å; Y151-V159 HydrophobicContact CE1-CG1 4.13Å; Y151-V159 HydrophobicContact CG-CG2 4.05Å; A155-V159 PolarHBondContact O-N 3.15Å; E156-V159 PolarHBondContact O-N 3.46Å; E156-V159 VanDerWaalsContact O-N 3.11Å
160	H	60.3	Low	50.1	Low	112 Å²	112	102.4 Å²	102.4	52%	0.519	53%	0.528	S	S	.	.	S	Bend	trans	-114.9	7.6	-176.1	-71.2	-67.7	0	0	0	116.3	E156 R162	E156-H160 PolarHBondContact O-N 3.18Å; H160-R162 PolarHBondContact O-N 3.37Å
161	R	51.2	Low	47.3	Very low	177 Å²	177	110.7 Å²	110.7	67%	0.668	57%	0.572	S	S	*	*			trans	-73	110.9	-175	-155.5	176.7	-175.6	-178.5	1	112.1
162	R	34.7	Very low	44.5	Very low	237 Å²	237	115.9 Å²	115.9	89%	0.894	61%	0.609	S	S	*	*			trans	-76.4	131.5	171	-80.1	-178.7	174.1	175.7	-1.1	111.1	H160 S164	H160-R162 PolarHBondContact O-N 3.37Å; R162-S164 PolarHBondContact O-N 2.86Å
163	S	31.4	Very low	42	Very low	111 Å²	111	123.2 Å²	123.2	78%	0.776	64%	0.635	S	S	*	*			trans	-70.8	113.2	173.4	-179.6	0	0	0	0	110.8
164	S	29.6	Very low	40.1	Very low	121 Å²	121	125 Å²	125	85%	0.846	65%	0.648	S	S	*	*			trans	-95.2	103.2	164.4	55.4	0	0	0	0	108.9	R162	R162-S164 PolarHBondContact O-N 2.86Å
165	S	28.6	Very low	38.4	Very low	101 Å²	101	129 Å²	129	71%	0.706	66%	0.656	S	S	*	*			trans	-148.6	102.6	167.8	59.6	0	0	0	0	110.3
166	A	27.3	Very low	36.7	Very low	100 Å²	100	137.1 Å²	137.1	83%	0.826	69%	0.693	S	S	*	*			trans	-155.3	94.3	148.4	0	0	0	0	0	106.6
167	E	26.6	Very low	34.8	Very low	192 Å²	192	142.6 Å²	142.6	90%	0.897	72%	0.719	S	S	*	*			trans	-58.5	137.5	162	-70.9	177.5	145.7	0	0	108.9
168	N	25.8	Very low	33.1	Very low	157 Å²	157	139.3 Å²	139.3	84%	0.84	72%	0.718	S	S	*	*			trans	-128.6	114.2	156.7	-138.7	4.2	0	0	0	107.8
169	P	29.7	Very low	31.2	Very low	88 Å²	88	145 Å²	145	57%	0.571	74%	0.74	S	S	*	*			trans	-78.2	174.6	171.6	32.3	-28.4	0	0	0	109.4
170	Y	25.2	Very low	29.5	Very low	211 Å²	211	151.3 Å²	151.3	83%	0.827	78%	0.778	S	S	*	*			trans	90.3	86.8	-177.1	-50.4	-72.8	0	0	0	116
171	L	26.3	Very low	27.8	Very low	174 Å²	174	153.5 Å²	153.5	91%	0.911	79%	0.789	S	S	*	*				176.6	96.3	108.5	-96.4	148.3	0	0	0	109.4
172	S	25.6	Very low	26.5	Very low	116 Å²	116	154.3 Å²	154.3	81%	0.811	80%	0.8	S	S	*	*			trans	-94	119.1	154.5	-177.6	0	0	0	0	107
173	R	24.8	Very low	26	Very low	207 Å²	207	148.6 Å²	148.6	78%	0.781	79%	0.787	S	S	*	*			trans	171.8	138.6	138.2	-103.9	172.8	176.2	179.3	-0.9	114
174	H	25.1	Very low	25.6	Very low	142 Å²	142	154.4 Å²	154.4	66%	0.657	79%	0.793	S	S	*	*			trans	77.7	134.8	156	-59.9	-43.4	0	0	0	116.4
175	H	26.5	Very low	25.4	Very low	171 Å²	171	155.6 Å²	155.6	79%	0.792	79%	0.786	S	S	*	*			cis	-151.8	148.5	20	-113	-63.4	0	0	0	111.8
176	H	25.1	Very low	25.3	Very low	175 Å²	175	158.8 Å²	158.8	81%	0.81	79%	0.789	S	S	*	*			trans	-65.3	141.6	158.1	-81.4	-80.9	0	0	0	112.4
177	Q	25.4	Very low	25.1	Very low	191 Å²	191	157.6 Å²	157.6	89%	0.893	79%	0.787	S	S	*	*			trans	-170.2	103.3	140	-107	170.6	-11.3	0	0	106.1
178	A	22.8	Very low	25.4	Very low	80 Å²	80	158.3 Å²	158.3	66%	0.661	79%	0.787	S	S	*	*				68.3	116.2	70	0	0	0	0	0	113.9
179	Q	23.8	Very low	25.4	Very low	183 Å²	183	159.2 Å²	159.2	86%	0.855	79%	0.791	S	S	*	*			trans	75.4	137.7	152.5	-69.4	177.9	-16	0	0	117.2
180	T	24.2	Very low	25.3	Very low	131 Å²	131	163.1 Å²	163.1	80%	0.804	80%	0.801	S	S	*	*			cis	-159.7	152.3	29.5	18.8	0	0	0	0	112.2
181	H	23.2	Very low	25.3	Very low	158 Å²	158	163 Å²	163	73%	0.731	80%	0.799	S	S	*	*			trans	-53.7	147.7	165.3	-89.4	-111.7	0	0	0	114.5
182	H	24.8	Very low	25.1	Very low	194 Å²	194	161.8 Å²	161.8	90%	0.898	79%	0.789	S	S	*	*			trans	-142.5	112.4	133.1	-101.6	-63.3	0	0	0	110.4
183	D	23.3	Very low	25.2	Very low	118 Å²	118	165.4 Å²	165.4	63%	0.631	79%	0.793	S	S	*	*			trans	-74	140.6	166.3	-110.3	-40.3	0	0	0	110.1
184	Y	24.5	Very low	25.1	Very low	232 Å²	232	164.9 Å²	164.9	91%	0.91	80%	0.797	S	S	*	*			trans	-155.2	108.3	139.4	-108.3	-78.7	0	0	0	110.5
185	Q	24.1	Very low	25.1	Very low	147 Å²	147	164.3 Å²	164.3	69%	0.687	81%	0.807	S	S	*	*			trans	-58	162.1	154.8	-72.2	173.2	-26.2	0	0	110.3
186	H	27	Very low	25.1	Very low	168 Å²	168	159.6 Å²	159.6	78%	0.778	80%	0.804	S	S	*	*			cis	-166.2	157.8	20.5	-118.8	-51.7	0	0	0	106.7
187	G	24.3	Very low	25.2	Very low	75 Å²	75	163.6 Å²	163.6	77%	0.773	81%	0.812	S	S	*	*			trans	175.9	69.7	163.6	0	0	0	0	0	116	L189	G187-L189 PolarHBondContact O-N 3.01Å
188	K	32.1	Very low	25.5	Very low	206 Å²	206	165.1 Å²	165.1	90%	0.896	81%	0.81	S	S	*	*			trans	-66	122.4	162.9	-89.3	179.1	175.3	175.2	0	109.1
189	L	26.4	Very low	26	Very low	177 Å²	177	169.9 Å²	169.9	93%	0.927	82%	0.816	S	S	*	*			trans	-134.8	119.4	151.9	-97.2	157.3	0	0	0	109	G187	G187-L189 PolarHBondContact O-N 3.01Å
190	Q	26.5	Very low	26.3	Very low	170 Å²	170	169.7 Å²	169.7	79%	0.794	82%	0.815	S	S	*	*			trans	-87.9	154.1	177.2	-164	176.3	13	0	0	108.8
191	R	24.7	Very low	26.4	Very low	207 Å²	207	174.5 Å²	174.5	78%	0.781	82%	0.82	S	S	*	*			trans	96.7	140.4	169.2	-61	177.7	176.5	-164.8	-0	113.8
192	Q	23	Very low	26.4	Very low	149 Å²	149	171.3 Å²	171.3	70%	0.696	82%	0.821	S	S	*	*			cis	-165.8	150.9	12.4	-119.6	157.4	6.1	0	0	108.1	F194	Q192-F194 PolarHBondContact O-N 3.2Å
193	H	27.3	Very low	26.6	Very low	192 Å²	192	168 Å²	168	89%	0.889	82%	0.816	S	S	*	*			trans	-57	133	165.8	-80.5	-88.2	0	0	0	111.2
194	F	22.2	Very low	26.8	Very low	197 Å²	197	170.9 Å²	170.9	86%	0.864	83%	0.826	S	S	*	*			trans	-138.3	114.4	160.1	-114.9	-90.4	0	0	0	110.1	Q192	Q192-F194 PolarHBondContact O-N 3.2Å
195	C	25.8	Very low	26.9	Very low	130 Å²	130	164.4 Å²	164.4	88%	0.878	81%	0.813	S	S	*	*			trans	-86.7	128.8	165.8	-87.4	0	0	0	0	109.9
196	G	26.5	Very low	27.1	Very low	71 Å²	71	163.2 Å²	163.2	73%	0.732	82%	0.817	S	S	*	*			trans	94.9	114.1	149.7	0	0	0	0	0	118.1
197	R	27.5	Very low	27.6	Very low	259 Å²	259	162.8 Å²	162.8	98%	0.977	83%	0.826	S	S	*	*				-178.3	155.8	117.2	-100.2	179.3	-179.6	-163.9	1.5	112.4
198	R	31.3	Very low	27.9	Very low	223 Å²	223	162 Å²	162	84%	0.842	82%	0.818	S	S	*	*			trans	-72.6	149.9	-170.4	-104.7	174.8	173.5	177.6	-1.4	115.3
199	K	33.1	Very low	28.3	Very low	180 Å²	180	159.9 Å²	159.9	78%	0.783	82%	0.817	S	S	*	*			trans	70.8	119.3	147.3	-68.4	-174.3	-179.9	-169.6	0	119.5
200	Q	29.5	Very low	29	Very low	179 Å²	179	158.7 Å²	158.7	84%	0.836	81%	0.81	S	S	*	*				-177.2	155.1	110.6	-98.3	166.2	-4.6	0	0	109.7
201	Y	26.7	Very low	29.1	Very low	232 Å²	232	158.7 Å²	158.7	91%	0.91	81%	0.808	S	S	*	*			trans	86	65.2	-167.6	-58.4	-80.7	0	0	0	115.9
202	A	24.7	Very low	29.2	Very low	91 Å²	91	158.7 Å²	158.7	75%	0.752	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.4	129	143.9	0	0	0	0	0	107	Q204	A202-Q204 PolarHBondContact O-N 2.78Å
203	P	28.1	Very low	29.4	Very low	124 Å²	124	158.7 Å²	158.7	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-60.4	136.5	169	23.6	-29.4	0	0	0	109.2
204	Q	26.7	Very low	29.6	Very low	179 Å²	179	154.5 Å²	154.5	84%	0.836	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-58.3	138.9	172.1	-70.9	-96	1.5	0	0	109	A202	A202-Q204 PolarHBondContact O-N 2.78Å
205	P	27.3	Very low	29.9	Very low	97 Å²	97	152.4 Å²	152.4	63%	0.63	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.3	142.3	174.7	26.5	-31.5	0	0	0	109.4	V207	P205-V207 PolarHBondContact O-N 3.06Å
206	P	28.4	Very low	30.2	Very low	121 Å²	121	154.7 Å²	154.7	79%	0.786	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-57.7	128.5	173.4	23	-30.1	0	0	0	109.1	G208	P206-G208 PolarHBondContact O-N 3.4Å; P206-G208 VanDerWaalsContact O-N 3.1Å
207	V	36.6	Very low	30.5	Very low	159 Å²	159	161.3 Å²	161.3	96%	0.964	81%	0.813	S	S	*	*	S	Bend	trans	-73.4	100.8	172.2	-178.4	0	0	0	0	106.6	P205	P205-V207 PolarHBondContact O-N 3.06Å
208	G	32.3	Very low	30.5	Very low	58 Å²	58	152.5 Å²	152.5	60%	0.598	80%	0.795	S	S	*	*	S	Bend	trans	165.9	103.8	177.6	0	0	0	0	0	109.9	P206 L210	P206-G208 PolarHBondContact O-N 3.4Å; P206-G208 VanDerWaalsContact O-N 3.1Å; G208-L210 PolarHBondContact O-N 3.08Å
209	D	40.6	Very low	30.3	Very low	163 Å²	163	146.3 Å²	146.3	87%	0.872	79%	0.791	S	S	*	*			trans	-52.8	110.5	164.5	-79.4	-39.2	0	0	0	109
210	L	39.4	Very low	30.1	Very low	151 Å²	151	143.4 Å²	143.4	79%	0.791	79%	0.791	S	S	*	*			trans	-174.2	131.9	151.6	-94.3	148.5	0	0	0	107.7	G208	G208-L210 PolarHBondContact O-N 3.08Å
211	F	30.3	Very low	30.1	Very low	171 Å²	171	144.1 Å²	144.1	75%	0.75	79%	0.794	S	S	*	*			trans	91.6	51.5	-177.9	-53.3	-75	0	0	0	118.1	L213	F211-L213 HydrophobicContact CD1-CD1 4.4Å
212	F	25.1	Very low	30.2	Very low	207 Å²	207	139.5 Å²	139.5	91%	0.908	79%	0.79	S	S	*	*				-103.5	104.9	127.6	-69.5	-84.6	0	0	0	106.9	P214	F212-P214 WeakPolarHBondContact O-CD 3.41Å
213	L	28.8	Very low	30.5	Very low	148 Å²	148	144 Å²	144	78%	0.775	80%	0.795	S	S	*	*			trans	-79	116.1	160.2	-90.2	146.4	0	0	0	106.1	F211	F211-L213 HydrophobicContact CD1-CD1 4.4Å
214	P	30	Very low	30.2	Very low	105 Å²	105	146.7 Å²	146.7	68%	0.682	80%	0.797	S	S	*	*			trans	-60.2	139.7	173.3	-17.8	31.2	0	0	0	109.5	F212 E216	F212-P214 WeakPolarHBondContact O-CD 3.41Å; P214-E216 PolarHBondContact O-N 3.44Å
215	D	28.5	Very low	30.6	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	79%	0.793	S	S	*	*			trans	-57.1	101.4	168.2	-72.5	-41.4	0	0	0	108.9	F217	D215-F217 PolarHBondContact O-N 2.73Å
216	E	32.1	Very low	30.9	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	80%	0.803	S	S	*	*			trans	-68.3	90.4	172.6	-81.6	-177.7	156.4	0	0	110.1	P214 A218	P214-E216 PolarHBondContact O-N 3.44Å; E216-A218 VanDerWaalsContact C-N 3.31Å
217	F	34.4	Very low	30.8	Very low	210 Å²	210	148.4 Å²	148.4	92%	0.921	81%	0.808	S	S	*	*			trans	-96.3	67.1	143.3	-75.3	-84.6	0	0	0	108.4	D215	D215-F217 PolarHBondContact O-N 2.73Å
218	A	26.3	Very low	30.5	Very low	73 Å²	73	145.2 Å²	145.2	60%	0.603	80%	0.799	S	S	*	*			trans	-111.8	116.4	157	0	0	0	0	0	106.6	E216 P220	E216-A218 VanDerWaalsContact C-N 3.31Å; A218-P220 WeakPolarHBondContact O-CD 3.28Å
219	A	27.6	Very low	30.3	Very low	93 Å²	93	154.1 Å²	154.1	77%	0.769	81%	0.814	S	S	*	*			trans	-69.1	126.3	167.2	0	0	0	0	0	108.1	E221	A219-E221 PolarHBondContact O-N 3.49Å
220	P	29.4	Very low	30	Very low	120 Å²	120	153.7 Å²	153.7	78%	0.779	80%	0.801	S	S	*	*			trans	-71.5	119.5	165.6	-8.4	23.9	0	0	0	108.5	A218 V222	A218-P220 WeakPolarHBondContact O-CD 3.28Å; P220-V222 PolarHBondContact O-N 3.16Å; P220-V222 VanDerWaalsContact O-N 3.14Å
221	E	28.9	Very low	29.4	Very low	193 Å²	193	150.8 Å²	150.8	90%	0.902	79%	0.793	S	S	*	*			trans	-64.4	98.4	162.6	-67.2	179.7	160.1	0	0	109.1	A219	A219-E221 PolarHBondContact O-N 3.49Å
222	V	27.9	Very low	29.6	Very low	135 Å²	135	147.1 Å²	147.1	82%	0.818	79%	0.786	S	S	*	*			trans	-144.1	122.7	152.9	-171.6	0	0	0	0	108.5	P220	P220-V222 PolarHBondContact O-N 3.16Å; P220-V222 VanDerWaalsContact O-N 3.14Å
223	E	31.4	Very low	30.2	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.864	76%	0.758	S	S	*	*			trans	-58	130.9	177.1	-62.5	177	140.3	0	0	112.1
224	E	22.7	Very low	30.4	Very low	181 Å²	181	136.6 Å²	136.6	85%	0.846	74%	0.74	S	S	*	*			trans	178.3	153.4	136.9	-93.1	-69.4	117.5	0	0	109.6
225	P	35.4	Very low	30.8	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	73%	0.733	S	S	*	*			trans	-94.8	145.1	-140.5	34	-34	0	0	0	115
226	G	32.2	Very low	31.1	Very low	82 Å²	82	133.3 Å²	133.3	85%	0.845	72%	0.723	S	S	*	*			trans	119.6	61.7	157.2	0	0	0	0	0	115.9
227	R	26.2	Very low	31.2	Very low	236 Å²	236	133.1 Å²	133.1	89%	0.891	71%	0.714	S	S	*	*			trans	-120.9	108.2	164.3	-153.9	174.2	-171.8	167.8	1.2	110.6	R229	R227-R229 PolarHBondContact O-N 3.23Å; R227-R229 VanDerWaalsContact O-N 3.12Å
228	A	30.9	Very low	31.4	Very low	93 Å²	93	128.7 Å²	128.7	77%	0.769	70%	0.704	S	S	*	*			trans	-62	111.2	161.8	0	0	0	0	0	108.4	R230	A228-R230 PolarHBondContact O-N 2.9Å
229	R	29	Very low	32.2	Very low	244 Å²	244	128.1 Å²	128.1	92%	0.921	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.6	171.8	-76.2	-178.5	171.7	-178.9	-4.3	108.7	R227	R227-R229 PolarHBondContact O-N 3.23Å; R227-R229 VanDerWaalsContact O-N 3.12Å
230	R	33.9	Very low	33.6	Very low	154 Å²	154	124.9 Å²	124.9	58%	0.581	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-82.3	136.8	178.8	-68.2	-176.8	-178.3	-169.9	-1.7	109.4	A228 D447	A228-R230 PolarHBondContact O-N 2.9Å; R230-D447 IonicContact CZ-OD2 2.88Å; R230-D447 IonicContact NH1-OD1 2.77Å; R230-D447 IonicContact NH1-OD2 3.72Å; R230-D447 PolarHBondContact NH1-OD2 3.39Å; R230-D447 IonicContact NH2-OD2 2.75Å
231	S	27.3	Very low	35.9	Very low	91 Å²	91	120.6 Å²	120.6	64%	0.636	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-70.3	152.1	179.3	-35.8	0	0	0	0	112.1
232	P	33.5	Very low	38.4	Very low	93 Å²	93	112.5 Å²	112.5	60%	0.604	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.1	153.1	167.9	-19.4	30.3	0	0	0	111.4	N234	P232-N234 VanDerWaalsContact C-N 3.35Å; P232-N234 PolarHBondContact O-N 3.03Å
233	I	37.7	Very low	41.1	Very low	61 Å²	61	106.2 Å²	106.2	31%	0.313	58%	0.576	S	S	.	*			trans	-60.6	101	169.8	-65.9	-179.4	0	0	0	107.6	S235 A442	I233-S235 PolarHBondContact O-N 3.37Å; I233-A442 WeakPolarHBondContact CD1-O 3.46Å
234	N	33.3	Very low	43.6	Very low	74 Å²	74	98.1 Å²	98.1	40%	0.396	54%	0.538	S	S	.	.			trans	-69.8	126.4	168.8	-161.7	-30.4	0	0	0	106.7	P232 N236 R237	P232-N234 VanDerWaalsContact C-N 3.35Å; P232-N234 PolarHBondContact O-N 3.03Å; N234-N236 PolarHBondContact O-N 3.45Å; N234-N236 PolarHBondContact OD1-ND2 2.83Å; N234-N236 VanDerWaalsContact OD1-ND2 3.17Å; N234-R237 PolarHBondContact O-N 3.49Å
235	S	38.6	Very low	46.6	Very low	77 Å²	77	89.6 Å²	89.6	54%	0.538	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-4.5	175.6	60.6	0	0	0	0	114.3	I233	I233-S235 PolarHBondContact O-N 3.37Å
236	N	33.9	Very low	49	Very low	112 Å²	112	84.4 Å²	84.4	60%	0.599	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0	174	-69.4	-45.6	0	0	0	115.6	N234 V238	N234-N236 PolarHBondContact O-N 3.45Å; N234-N236 PolarHBondContact OD1-ND2 2.83Å; N234-N236 VanDerWaalsContact OD1-ND2 3.17Å; N236-V238 PolarHBondContact O-N 2.97Å; N236-V238 VanDerWaalsContact O-N 3.11Å
237	R	35.9	Very low	51.7	Low	174 Å²	174	80.5 Å²	80.5	66%	0.657	42%	0.424	S	S	*	.			trans	-74.7	106.5	175.9	-85.9	-168.8	178.3	-169.3	1.1	111.1	N234 G239	N234-R237 PolarHBondContact O-N 3.49Å; R237-G239 PolarHBondContact O-N 2.87Å; R237-G239 VanDerWaalsContact O-N 3.15Å
238	V	36.8	Very low	54.7	Low	117 Å²	117	69.3 Å²	69.3	71%	0.709	38%	0.382	S	S	*	.			trans	-74	87	169.4	-178.3	0	0	0	0	108.1	N236	N236-V238 PolarHBondContact O-N 2.97Å; N236-V238 VanDerWaalsContact O-N 3.11Å
239	G	43	Very low	57.5	Low	61 Å²	61	64.9 Å²	64.9	63%	0.629	35%	0.345	S	S	*	.	S	Bend	trans	-175	139.2	174.6	0	0	0	0	0	110.7	R237	R237-G239 PolarHBondContact O-N 2.87Å; R237-G239 VanDerWaalsContact O-N 3.15Å
240	G	58.7	Low	60.4	Low	24 Å²	24	53.6 Å²	53.6	25%	0.247	30%	0.303	C	S	.	.			trans	-61.4	142.1	177.9	0	0	0	0	0	111.3
241	L	75.9	Confident	62.8	Low	31 Å²	31	50.2 Å²	50.2	16%	0.162	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.8	177	-67.4	162.9	0	0	0	108.8	D285 N287 L437 L445	L241-D285 PolarHBondContact N-O 2.89Å; L241-N287 PolarHBondContact O-N 3.1Å; L241-L437 HydrophobicContact CD1-CD1 3.55Å; L241-L437 HydrophobicContact CD1-CD2 3.43Å; L241-L437 VanDerWaalsContact CD1-CD2 3.43Å; L241-L437 HydrophobicContact CD1-CG 4.04Å; L241-L445 HydrophobicContact CB-CB 4.32Å; L241-L445 HydrophobicContact CD2-CB 4.08Å
242	N	81.5	Confident	65.6	Low	23 Å²	23	49.3 Å²	49.3	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.2	-179.7	-55.3	-57.7	0	0	0	109.7	N287 L445 D447	N242-N287 CarbonylContact C-O 3.54Å; N242-N287 WeakPolarHBondContact CA-O 3.48Å; N242-N287 WeakPolarHBondContact OD1-CB 3.29Å; N242-L445 PolarHBondContact N-O 3Å; N242-L445 VanDerWaalsContact O-CA 3.32Å; N242-L445 WeakPolarHBondContact O-CA 3.45Å; N242-L445 WeakPolarHBondContact O-CD2 3.45Å; N242-D447 PolarHBondContact ND2-O 2.89Å; N242-D447 VanDerWaalsContact ND2-O 3.16Å
243	V	85.4	Confident	68.1	Low	3 Å²	3	44.9 Å²	44.9	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103	173.5	-175	0	0	0	0	107.5	T245 I286 N287 I288 V289 H333 M364 F393 L445	V243-T245 PolarHBondContact O-N 2.82Å; V243-T245 PolarHBondContact O-OG1 2.79Å; V243-I286 HydrophobicContact CG2-CG2 3.66Å; V243-N287 PolarHBondContact N-O 2.83Å; V243-I288 HydrophobicContact CB-CG1 4.35Å; V243-V289 PolarHBondContact O-N 3.35Å; V243-H333 HydrophobicContact CG1-CB 3.86Å; V243-M364 HydrophobicContact CG1-CE 4.23Å; V243-M364 HydrophobicContact CG1-SD 4.03Å; V243-F393 HydrophobicContact CG2-CZ 3.87Å; V243-L445 HydrophobicContact CB-CD2 4.37Å; V243-L445 HydrophobicContact CG1-CD2 4.48Å; V243-L445 HydrophobicContact CG2-CD2 3.91Å
244	E	84	Confident	70.3	Confident	15 Å²	15	43 Å²	43	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	105.9	175.3	-64.8	-173.1	132.4	0	0	109.6	V291 H331 D332 H333 P449	E244-V291 HydrophobicContact CB-CG1 3.66Å; E244-V291 HydrophobicContact CB-CG2 4.24Å; E244-V291 HydrophobicContact CG-CG1 3.86Å; E244-H331 CarbonylContact O-C 3.56Å; E244-D332 HydrophobicContact CB-CB 4.37Å; E244-D332 WeakPolarHBondContact CB-OD2 3.47Å; E244-D332 PolarHBondContact N-OD2 2.87Å; E244-D332 PolarHBondContact O-N 2.83Å; E244-H333 PolarHBondContact O-N 3.32Å; E244-H333 VanDerWaalsContact O-N 3.08Å; E244-P449 HydrophobicContact CG-CB 4.25Å; E244-P449 WeakPolarHBondContact OE1-CA 3.45Å; E244-P449 WeakPolarHBondContact OE1-CB 3.41Å
245	T	85.1	Confident	72.7	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.3	-171.5	-51	0	0	0	0	111.9	V243 V247 M270 V289 V290 V291 H333 V335	V243-T245 PolarHBondContact O-N 2.82Å; V243-T245 PolarHBondContact O-OG1 2.79Å; T245-V247 HydrophobicContact CG2-CG2 4.12Å; T245-M270 HydrophobicContact CG2-CE 3.92Å; T245-V289 PolarHBondContact N-O 2.96Å; T245-V290 WeakPolarHBondContact O-CA 3.49Å; T245-V291 WeakPolarHBondContact O-CG2 3.24Å; T245-V291 PolarHBondContact O-N 2.73Å; T245-H333 CarbonylContact C-O 3.6Å; T245-H333 WeakPolarHBondContact CA-O 3.35Å; T245-V335 HydrophobicContact CG2-CB 4.44Å; T245-V335 HydrophobicContact CG2-CG2 3.66Å
246	L	86.7	Confident	74.6	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125	165.5	170.7	65.8	0	0	0	108.8	V248 L294 L323 H331 H333 A334 V335	L246-V248 HydrophobicContact CD1-CG2 4.46Å; L246-V248 HydrophobicContact CD2-CG2 4.3Å; L246-V248 HydrophobicContact CG-CG2 4.07Å; L246-L294 HydrophobicContact CD1-CD1 3.92Å; L246-L294 HydrophobicContact CD1-CG 3.95Å; L246-L323 HydrophobicContact CD2-CD1 3.91Å; L246-H331 HydrophobicContact CB-CB 3.95Å; L246-H333 PolarHBondContact N-O 2.7Å; L246-A334 HydrophobicContact CB-CB 4.4Å; L246-A334 HydrophobicContact CD2-CB 4.41Å; L246-A334 CarbonylContact O-C 3.54Å; L246-A334 WeakPolarHBondContact O-CA 3.45Å; L246-V335 PolarHBondContact O-N 3.21Å
247	V	88.4	Confident	76.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.7	175.9	-174.3	0	0	0	0	109.5	T245 V266 M270 V290 S292 L293 L294 V335 L337	T245-V247 HydrophobicContact CG2-CG2 4.12Å; V247-V266 HydrophobicContact CG1-CG1 3.56Å; V247-M270 HydrophobicContact CG2-CE 3.96Å; V247-M270 HydrophobicContact CG2-CG 4.06Å; V247-M270 HydrophobicContact CG2-SD 4.04Å; V247-V290 HydrophobicContact CG2-CG1 4.02Å; V247-V290 HydrophobicContact CG2-CG2 4.25Å; V247-S292 PolarHBondContact N-O 2.62Å; V247-L293 HydrophobicContact CB-CD1 3.9Å; V247-L293 HydrophobicContact CG1-CD1 3.88Å; V247-L293 CarbonylContact O-C 3.52Å; V247-L293 WeakPolarHBondContact O-CA 3.44Å; V247-L294 PolarHBondContact O-N 3.42Å; V247-V335 WeakPolarHBondContact CA-O 3.46Å; V247-L337 HydrophobicContact CG1-CD1 3.87Å; V247-L337 HydrophobicContact CG1-CG 4.22Å
248	V	89.7	Confident	78.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.3	-179.7	-173.3	0	0	0	0	108.3	L246 L294 L296 F316 W319 V335 L336 L337	L246-V248 HydrophobicContact CD1-CG2 4.46Å; L246-V248 HydrophobicContact CD2-CG2 4.3Å; L246-V248 HydrophobicContact CG-CG2 4.07Å; V248-L294 WeakPolarHBondContact CA-O 3.33Å; V248-L294 HydrophobicContact CG1-CB 4.35Å; V248-L294 HydrophobicContact CG2-CB 4.26Å; V248-L294 HydrophobicContact CG2-CD1 4.27Å; V248-L296 HydrophobicContact CG1-CD1 3.7Å; V248-L296 HydrophobicContact CG1-CD2 4.45Å; V248-L296 HydrophobicContact CG1-CG 3.9Å; V248-F316 HydrophobicContact CB-CE2 4.06Å; V248-F316 HydrophobicContact CB-CZ 4.37Å; V248-F316 HydrophobicContact CG1-CE2 4.45Å; V248-F316 HydrophobicContact CG2-CE2 3.87Å; V248-F316 HydrophobicContact CG2-CZ 4.05Å; V248-W319 HydrophobicContact CG2-CZ3 4.21Å; V248-V335 PolarHBondContact N-O 2.86Å; V248-L336 HydrophobicContact CB-CD1 4.01Å; V248-L336 HydrophobicContact CG1-CD1 3.88Å; V248-L336 CarbonylContact O-C 3.09Å; V248-L336 WeakPolarHBondContact O-CA 3.35Å; V248-L337 PolarHBondContact O-N 3.28Å
249	A	90	Very high	80.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.2	173.3	0	0	0	0	0	109.3	M253 L254 L294 L295 L296	A249-M253 HydrophobicContact CB-CB 4.15Å; A249-L254 HydrophobicContact CB-CD1 4.38Å; A249-L294 PolarHBondContact N-O 2.8Å; A249-L295 HydrophobicContact CB-CD2 3.82Å; A249-L296 PolarHBondContact O-N 3.12Å
250	D	88.3	Confident	81.5	Confident	7 Å²	7	41 Å²	41	4%	0.037	20%	0.197	C	C	.	.			trans	-75.7	172.8	-179.6	82.8	-14.6	0	0	0	113.1	K252 M253 L254 I305 L337 T338 G339	D250-K252 PolarHBondContact O-N 2.77Å; D250-K252 PolarHBondContact OD1-N 2.79Å; D250-K252 VanDerWaalsContact OD1-N 3.12Å; D250-M253 WeakPolarHBondContact O-CB 3.44Å; D250-M253 PolarHBondContact O-N 2.97Å; D250-M253 VanDerWaalsContact O-N 3.16Å; D250-M253 WeakPolarHBondContact OD1-CG 3.3Å; D250-M253 PolarHBondContact OD1-N 3.43Å; D250-L254 WeakPolarHBondContact O-CD1 3.2Å; D250-L254 PolarHBondContact O-N 3.16Å; D250-I305 HydrophobicContact CB-CD1 3.74Å; D250-L337 PolarHBondContact N-O 2.89Å; D250-L337 VanDerWaalsContact N-O 3.07Å; D250-T338 WeakPolarHBondContact OD1-CA 3.44Å; D250-T338 VanDerWaalsContact OD2-CB 3.26Å; D250-T338 WeakPolarHBondContact OD2-CB 3.27Å; D250-T338 PolarHBondContact OD2-OG1 3.39Å; D250-G339 PolarHBondContact OD1-N 2.89Å
251	R	85.9	Confident	82.2	Confident	83 Å²	83	45 Å²	45	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-57.9	-36.4	178.6	178.6	174.6	59.2	105.9	-13.6	112.8	M253 L254 E255 L296 E297 D299	R251-M253 VanDerWaalsContact C-N 3.31Å; R251-M253 PolarHBondContact O-N 2.95Å; R251-L254 WeakPolarHBondContact O-CB 3.03Å; R251-L254 PolarHBondContact O-N 2.89Å; R251-E255 HydrophobicContact CG-CG 4.47Å; R251-E255 IonicContact CZ-OE1 2.88Å; R251-E255 IonicContact NH1-OE1 3.9Å; R251-E255 PolarHBondContact NH1-OE1 2.81Å; R251-E255 WeakPolarHBondContact O-CG 3.28Å; R251-E255 PolarHBondContact O-N 2.89Å; R251-L296 VanDerWaalsContact CA-O 3.25Å; R251-L296 WeakPolarHBondContact CA-O 3.37Å; R251-L296 PolarHBondContact N-O 3Å; R251-E297 VanDerWaalsContact CD-O 3.26Å; R251-E297 WeakPolarHBondContact CD-O 3.35Å; R251-D299 IonicContact NE-OD1 3.72Å; R251-D299 PolarHBondContact NE-OD1 2.69Å; R251-D299 IonicContact NH2-OD1 3.13Å; R251-D299 IonicContact NH2-OD2 2.77Å
252	K	85.4	Confident	82.3	Confident	73 Å²	73	43.5 Å²	43.5	32%	0.317	20%	0.204	S	C	.	.	H	α-helix	trans	-67.1	-33.8	-179.5	-69.6	-75.9	166.3	-157.5	0	111.9	D250 E255 K256 L340	D250-K252 PolarHBondContact O-N 2.77Å; D250-K252 PolarHBondContact OD1-N 2.79Å; D250-K252 VanDerWaalsContact OD1-N 3.12Å; K252-E255 WeakPolarHBondContact CD-OE2 3.07Å; K252-E255 IonicContact NZ-OE1 3.71Å; K252-E255 IonicContact NZ-OE2 3.8Å; K252-E255 PolarHBondContact NZ-OE2 3.38Å; K252-E255 PolarHBondContact O-N 2.79Å; K252-K256 WeakPolarHBondContact O-CB 3.45Å; K252-K256 PolarHBondContact O-N 2.91Å; K252-L340 HydrophobicContact CD-CD2 4.17Å; K252-L340 HydrophobicContact CG-CD2 3.88Å; K252-L340 HydrophobicContact CG-CG 4Å
253	M	85.3	Confident	82	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-42.8	170.5	-76	-60.8	-73.7	0	0	112.5	A249 D250 R251 K256 H257 Y265 L337 D376	A249-M253 HydrophobicContact CB-CB 4.15Å; D250-M253 WeakPolarHBondContact O-CB 3.44Å; D250-M253 PolarHBondContact O-N 2.97Å; D250-M253 VanDerWaalsContact O-N 3.16Å; D250-M253 WeakPolarHBondContact OD1-CG 3.3Å; D250-M253 PolarHBondContact OD1-N 3.43Å; R251-M253 VanDerWaalsContact C-N 3.31Å; R251-M253 PolarHBondContact O-N 2.95Å; M253-K256 PolarHBondContact O-N 2.99Å; M253-H257 PolarHBondContact O-N 2.47Å; M253-H257 VanDerWaalsContact O-N 3.1Å; M253-Y265 HydrophobicContact CE-CD1 4.1Å; M253-Y265 HydrophobicContact CE-CE1 3.73Å; M253-L337 HydrophobicContact CE-CB 4.36Å; M253-L337 HydrophobicContact CG-CB 4.24Å; M253-L337 WeakPolarHBondContact CG-O 3.34Å; M253-D376 HydrophobicContact CE-CB 3.95Å; M253-D376 HydrophobicContact SD-CB 3.27Å; M253-D376 WeakPolarHBondContact SD-CB 3.25Å
254	L	84.1	Confident	81.6	Confident	20 Å²	20	46.2 Å²	46.2	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-41.8	176.8	-81	78.2	0	0	0	111.5	A249 D250 R251 K256 G258 V262 L295 E297	A249-L254 HydrophobicContact CB-CD1 4.38Å; D250-L254 WeakPolarHBondContact O-CD1 3.2Å; D250-L254 PolarHBondContact O-N 3.16Å; R251-L254 WeakPolarHBondContact O-CB 3.03Å; R251-L254 PolarHBondContact O-N 2.89Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 3.19Å; L254-G258 VanDerWaalsContact O-CA 3.3Å; L254-G258 WeakPolarHBondContact O-CA 3.01Å; L254-G258 PolarHBondContact O-N 3.37Å; L254-V262 HydrophobicContact CG-CG1 4.39Å; L254-L295 HydrophobicContact CD1-CB 4.3Å; L254-L295 HydrophobicContact CD2-CB 4.4Å; L254-E297 HydrophobicContact CD2-CG 4Å
255	E	83.2	Confident	81.5	Confident	107 Å²	107	45.6 Å²	45.6	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-39.4	176.5	-72.4	172.7	-169.9	0	0	111.9	R251 K252	R251-E255 HydrophobicContact CG-CG 4.47Å; R251-E255 IonicContact CZ-OE1 2.88Å; R251-E255 IonicContact NH1-OE1 3.9Å; R251-E255 PolarHBondContact NH1-OE1 2.81Å; R251-E255 WeakPolarHBondContact O-CG 3.28Å; R251-E255 PolarHBondContact O-N 2.89Å; K252-E255 WeakPolarHBondContact CD-OE2 3.07Å; K252-E255 IonicContact NZ-OE1 3.71Å; K252-E255 IonicContact NZ-OE2 3.8Å; K252-E255 PolarHBondContact NZ-OE2 3.38Å; K252-E255 PolarHBondContact O-N 2.79Å
256	K	79.6	Confident	81.3	Confident	92 Å²	92	45.5 Å²	45.5	40%	0.4	22%	0.218	S	C	.	.	H	α-helix	trans	-77.2	-41	-175.4	-170.6	176.6	176.8	-167	0	113.8	K252 M253 L254 D376	K252-K256 WeakPolarHBondContact O-CB 3.45Å; K252-K256 PolarHBondContact O-N 2.91Å; M253-K256 PolarHBondContact O-N 2.99Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 3.19Å; K256-D376 WeakPolarHBondContact CD-OD2 3.47Å; K256-D376 VanDerWaalsContact CE-OD2 3.3Å; K256-D376 WeakPolarHBondContact CE-OD2 3.08Å; K256-D376 PolarHBondContact NZ-O 3.11Å; K256-D376 IonicContact NZ-OD2 3.72Å; K256-D376 PolarHBondContact NZ-OD2 3.41Å
257	H	78.6	Confident	80.8	Confident	18 Å²	18	45.9 Å²	45.9	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-102.7	-16.2	-174.1	-69.7	-76.9	0	0	0	114.4	M253 V262 Y265 D376 W474	M253-H257 PolarHBondContact O-N 2.47Å; M253-H257 VanDerWaalsContact O-N 3.1Å; H257-V262 HydrophobicContact CB-CB 4.24Å; H257-V262 HydrophobicContact CB-CG2 4.39Å; H257-Y265 AromaticContact CE1-CE1 3.79Å; H257-Y265 AromaticContact CE1-CE2 3.8Å; H257-Y265 AromaticContact CE1-CZ 3.65Å; H257-Y265 AromaticContact NE2-CD1 3.97Å; H257-Y265 AromaticContact NE2-CE1 3.58Å; H257-Y265 AromaticContact NE2-CZ 3.8Å; H257-D376 IonicContact CD2-OD2 2.83Å; H257-D376 IonicContact CE1-OD2 3.8Å; H257-D376 IonicContact NE2-OD1 3.89Å; H257-D376 IonicContact NE2-OD2 2.81Å; H257-D376 PolarHBondContact NE2-OD2 2.9Å; H257-W474 AromaticContact CE1-CD1 3.88Å; H257-W474 AromaticContact CE1-CE2 3.97Å; H257-W474 AromaticContact CE1-NE1 3.76Å; H257-W474 AromaticContact ND1-CE2 3.89Å; H257-W474 AromaticContact ND1-NE1 3.59Å
258	G	77.6	Confident	80.2	Confident	30 Å²	30	45.9 Å²	45.9	31%	0.309	22%	0.22	S	C	.	.			trans	82.1	143.9	-175.1	0	0	0	0	0	112.8	L254 E260 N261 V262	L254-G258 VanDerWaalsContact O-CA 3.3Å; L254-G258 WeakPolarHBondContact O-CA 3.01Å; L254-G258 PolarHBondContact O-N 3.37Å; G258-E260 VanDerWaalsContact C-N 3.33Å; G258-E260 PolarHBondContact O-N 3.33Å; G258-N261 PolarHBondContact O-N 2.55Å; G258-V262 PolarHBondContact O-N 3.38Å
259	R	70.4	Confident	79.8	Confident	152 Å²	152	45.9 Å²	45.9	57%	0.574	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-37	-171.1	-173.1	177	175.3	152.4	8.1	114.5	E297	R259-E297 IonicContact CZ-OE1 3.29Å; R259-E297 IonicContact NE-OE1 2.88Å; R259-E297 PolarHBondContact NE-OE1 3.17Å; R259-E297 IonicContact NH1-OE1 2.84Å; R259-E297 PolarHBondContact NH1-OE1 3.06Å; R259-E297 IonicContact NH1-OE2 3.8Å; R259-E297 IonicContact NH2-OE1 2.74Å; R259-E297 PolarHBondContact NH2-OE1 3.38Å; R259-E297 IonicContact NH2-OE2 3.63Å
260	E	67.1	Low	79.3	Confident	176 Å²	176	46 Å²	46	82%	0.822	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-25.7	-177.7	-63	-172.1	167.5	0	0	113.1	G258	G258-E260 VanDerWaalsContact C-N 3.33Å; G258-E260 PolarHBondContact O-N 3.33Å
261	N	74.1	Confident	78.8	Confident	107 Å²	107	47.8 Å²	47.8	57%	0.572	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-22.2	-172.7	-65.3	-26.3	0	0	0	113.4	G258 T263 T264 Y265	G258-N261 PolarHBondContact O-N 2.55Å; N261-T263 VanDerWaalsContact C-N 3.28Å; N261-T263 PolarHBondContact O-N 3.46Å; N261-T264 PolarHBondContact O-N 2.87Å; N261-Y265 WeakPolarHBondContact O-CB 3.44Å; N261-Y265 PolarHBondContact O-N 2.93Å
262	V	78.2	Confident	78.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-37.5	-177.2	70.5	0	0	0	0	112.4	L254 H257 G258 Y265 V266 L295	L254-V262 HydrophobicContact CG-CG1 4.39Å; H257-V262 HydrophobicContact CB-CB 4.24Å; H257-V262 HydrophobicContact CB-CG2 4.39Å; G258-V262 PolarHBondContact O-N 3.38Å; V262-Y265 PolarHBondContact O-N 2.96Å; V262-V266 HydrophobicContact CG2-CG2 4.22Å; V262-V266 WeakPolarHBondContact O-CB 3.43Å; V262-V266 VanDerWaalsContact O-CG2 3.25Å; V262-V266 WeakPolarHBondContact O-CG2 3.12Å; V262-V266 PolarHBondContact O-N 3.49Å; V262-L295 HydrophobicContact CG1-CD1 4.1Å; V262-L295 HydrophobicContact CG1-CD2 4.16Å
263	T	75.7	Confident	78.2	Confident	30 Å²	30	42 Å²	42	18%	0.184	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-47.8	177.1	-56.7	0	0	0	0	111.5	N261 Y265 V266 L267 L293	N261-T263 VanDerWaalsContact C-N 3.28Å; N261-T263 PolarHBondContact O-N 3.46Å; T263-Y265 VanDerWaalsContact C-N 3.32Å; T263-Y265 PolarHBondContact O-N 3.13Å; T263-V266 PolarHBondContact O-N 3.36Å; T263-L267 HydrophobicContact CG2-CD1 3.81Å; T263-L267 WeakPolarHBondContact O-CB 3.03Å; T263-L267 WeakPolarHBondContact O-CD1 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.22Å; T263-L267 PolarHBondContact O-N 2.79Å; T263-L293 HydrophobicContact CG2-CD2 3.8Å
264	T	76	Confident	78	Confident	52 Å²	52	42.3 Å²	42.3	32%	0.319	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-39.3	177.9	-52.2	0	0	0	0	111.2	N261 T268	N261-T264 PolarHBondContact O-N 2.87Å; T264-T268 WeakPolarHBondContact O-CB 3.23Å; T264-T268 PolarHBondContact O-N 3.28Å; T264-T268 PolarHBondContact O-OG1 3.38Å
265	Y	81.1	Confident	77.6	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-55.9	175.7	174.9	-103	0	0	0	112	M253 H257 N261 V262 T263 L267 T268 V269 D376 G378 L379 L381 Y466 W474	M253-Y265 HydrophobicContact CE-CD1 4.1Å; M253-Y265 HydrophobicContact CE-CE1 3.73Å; H257-Y265 AromaticContact CE1-CE1 3.79Å; H257-Y265 AromaticContact CE1-CE2 3.8Å; H257-Y265 AromaticContact CE1-CZ 3.65Å; H257-Y265 AromaticContact NE2-CD1 3.97Å; H257-Y265 AromaticContact NE2-CE1 3.58Å; H257-Y265 AromaticContact NE2-CZ 3.8Å; N261-Y265 WeakPolarHBondContact O-CB 3.44Å; N261-Y265 PolarHBondContact O-N 2.93Å; V262-Y265 PolarHBondContact O-N 2.96Å; T263-Y265 VanDerWaalsContact C-N 3.32Å; T263-Y265 PolarHBondContact O-N 3.13Å; Y265-L267 VanDerWaalsContact C-N 3.31Å; Y265-L267 PolarHBondContact O-N 3.46Å; Y265-T268 WeakPolarHBondContact O-CB 3.42Å; Y265-T268 PolarHBondContact O-N 2.02Å; Y265-V269 HydrophobicContact CE1-CG2 4.1Å; Y265-V269 HydrophobicContact CE2-CG2 4.07Å; Y265-V269 WeakPolarHBondContact O-CG2 3.49Å; Y265-V269 PolarHBondContact O-N 3.38Å; Y265-D376 PolarHBondContact OH-OD1 3.03Å; Y265-G378 WeakPolarHBondContact OH-CA 3.16Å; Y265-G378 PolarHBondContact OH-O 3.28Å; Y265-L379 HydrophobicContact CE2-CD2 4.15Å; Y265-L381 HydrophobicContact CE1-CD2 4.37Å; Y265-Y466 PolarHBondContact N-OH 2.92Å; Y265-W474 AromaticContact CD2-CH2 3.78Å; Y265-W474 HydrophobicContact CD2-CH2 3.78Å; Y265-W474 HydrophobicContact CD2-CZ2 4.21Å; Y265-W474 HydrophobicContact CD2-CZ3 4.07Å; Y265-W474 HydrophobicContact CE2-CE3 4.16Å; Y265-W474 HydrophobicContact CE2-CH2 4.05Å; Y265-W474 AromaticContact CE2-CZ3 3.88Å; Y265-W474 HydrophobicContact CE2-CZ3 3.88Å
266	V	81.7	Confident	77.4	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-42.5	-178.9	171.1	0	0	0	0	111.2	V247 V262 T263 T268 V269 M270 L293 L337	V247-V266 HydrophobicContact CG1-CG1 3.56Å; V262-V266 HydrophobicContact CG2-CG2 4.22Å; V262-V266 WeakPolarHBondContact O-CB 3.43Å; V262-V266 VanDerWaalsContact O-CG2 3.25Å; V262-V266 WeakPolarHBondContact O-CG2 3.12Å; V262-V266 PolarHBondContact O-N 3.49Å; T263-V266 PolarHBondContact O-N 3.36Å; V266-T268 VanDerWaalsContact C-N 3.32Å; V266-T268 PolarHBondContact O-N 3.35Å; V266-V269 PolarHBondContact O-N 2.88Å; V266-M270 HydrophobicContact CG1-CG 4.49Å; V266-M270 WeakPolarHBondContact O-CG 3.31Å; V266-M270 PolarHBondContact O-N 2.66Å; V266-L293 HydrophobicContact CG1-CD1 3.78Å; V266-L337 HydrophobicContact CB-CD1 4.36Å; V266-L337 HydrophobicContact CG1-CD1 3.8Å; V266-L337 HydrophobicContact CG2-CD1 3.78Å
267	L	77.2	Confident	77.4	Confident	12 Å²	12	36 Å²	36	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-32.6	177.7	-66.8	171	0	0	0	112.3	T263 Y265 N271 Y455 Y457	T263-L267 HydrophobicContact CG2-CD1 3.81Å; T263-L267 WeakPolarHBondContact O-CB 3.03Å; T263-L267 WeakPolarHBondContact O-CD1 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.22Å; T263-L267 PolarHBondContact O-N 2.79Å; Y265-L267 VanDerWaalsContact C-N 3.31Å; Y265-L267 PolarHBondContact O-N 3.46Å; L267-N271 PolarHBondContact O-N 2.96Å; L267-Y455 HydrophobicContact CB-CE1 4.03Å; L267-Y455 HydrophobicContact CD1-CD1 4.17Å; L267-Y455 HydrophobicContact CD1-CE1 3.58Å; L267-Y455 HydrophobicContact CD1-CE2 3.98Å; L267-Y455 VanDerWaalsContact CD1-CZ 3.47Å; L267-Y455 HydrophobicContact CD2-CD1 4.37Å; L267-Y455 HydrophobicContact CD2-CE1 4.4Å; L267-Y455 HydrophobicContact CG-CE1 4.21Å; L267-Y457 WeakPolarHBondContact O-CD1 3.29Å; L267-Y457 WeakPolarHBondContact O-CE1 3.36Å
268	T	75.5	Confident	77.2	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-43.9	173.5	-55.1	0	0	0	0	111.2	T264 Y265 V266 N271 M272 P462 L465 Y466	T264-T268 WeakPolarHBondContact O-CB 3.23Å; T264-T268 PolarHBondContact O-N 3.28Å; T264-T268 PolarHBondContact O-OG1 3.38Å; Y265-T268 WeakPolarHBondContact O-CB 3.42Å; Y265-T268 PolarHBondContact O-N 2.02Å; V266-T268 VanDerWaalsContact C-N 3.32Å; V266-T268 PolarHBondContact O-N 3.35Å; T268-N271 WeakPolarHBondContact O-CB 3.49Å; T268-N271 PolarHBondContact O-N 3.22Å; T268-M272 PolarHBondContact O-N 2.85Å; T268-M272 VanDerWaalsContact O-N 3.14Å; T268-P462 HydrophobicContact CG2-CB 3.7Å; T268-P462 HydrophobicContact CG2-CG 3.76Å; T268-L465 HydrophobicContact CG2-CD1 4.49Å; T268-Y466 HydrophobicContact CG2-CE2 3.96Å
269	V	80.7	Confident	77	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-47.4	175.3	171.8	0	0	0	0	110.4	Y265 V266 N271 M272 V273 L379 L381 A382 I385	Y265-V269 HydrophobicContact CE1-CG2 4.1Å; Y265-V269 HydrophobicContact CE2-CG2 4.07Å; Y265-V269 WeakPolarHBondContact O-CG2 3.49Å; Y265-V269 PolarHBondContact O-N 3.38Å; V266-V269 PolarHBondContact O-N 2.88Å; V269-N271 VanDerWaalsContact C-N 3.28Å; V269-N271 PolarHBondContact O-N 2.81Å; V269-M272 WeakPolarHBondContact O-CA 3.47Å; V269-M272 WeakPolarHBondContact O-CB 3.32Å; V269-M272 PolarHBondContact O-N 2.96Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 2.77Å; V269-L379 HydrophobicContact CG2-CD2 4.43Å; V269-L381 HydrophobicContact CG1-CB 4.2Å; V269-L381 HydrophobicContact CG1-CD2 4.05Å; V269-L381 HydrophobicContact CG1-CG 3.91Å; V269-L381 HydrophobicContact CG2-CD2 4.45Å; V269-A382 HydrophobicContact CG1-CB 4.07Å; V269-I385 HydrophobicContact CG1-CD1 3.66Å
270	M	80.1	Confident	76.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-28.9	178.1	-68.7	-57	-66.3	0	0	113.4	T245 V247 V266 V273 S274 I288 V290 I385	T245-M270 HydrophobicContact CG2-CE 3.92Å; V247-M270 HydrophobicContact CG2-CE 3.96Å; V247-M270 HydrophobicContact CG2-CG 4.06Å; V247-M270 HydrophobicContact CG2-SD 4.04Å; V266-M270 HydrophobicContact CG1-CG 4.49Å; V266-M270 WeakPolarHBondContact O-CG 3.31Å; V266-M270 PolarHBondContact O-N 2.66Å; M270-V273 PolarHBondContact O-N 2.83Å; M270-V273 HydrophobicContact SD-CG2 4.34Å; M270-S274 WeakPolarHBondContact O-CB 3.3Å; M270-S274 PolarHBondContact O-N 3.07Å; M270-I288 HydrophobicContact CE-CG2 3.94Å; M270-V290 HydrophobicContact CB-CG2 3.86Å; M270-V290 HydrophobicContact CE-CG2 3.89Å; M270-V290 HydrophobicContact CG-CG2 3.97Å; M270-I385 HydrophobicContact SD-CD1 4.22Å
271	N	77.3	Confident	77.4	Confident	46 Å²	46	26.3 Å²	26.3	25%	0.246	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-43.6	170.3	-169	29.3	0	0	0	111.4	L267 T268 V269 S274 S275 Y457	L267-N271 PolarHBondContact O-N 2.96Å; T268-N271 WeakPolarHBondContact O-CB 3.49Å; T268-N271 PolarHBondContact O-N 3.22Å; V269-N271 VanDerWaalsContact C-N 3.28Å; V269-N271 PolarHBondContact O-N 2.81Å; N271-S274 WeakPolarHBondContact O-CB 3.39Å; N271-S274 PolarHBondContact O-N 2.66Å; N271-S275 PolarHBondContact O-N 3.25Å; N271-Y457 HydrophobicContact CB-CD1 3.42Å; N271-Y457 VanDerWaalsContact CB-CD1 3.42Å; N271-Y457 HydrophobicContact CB-CD2 4.32Å; N271-Y457 HydrophobicContact CB-CE1 3.81Å; N271-Y457 HydrophobicContact CB-CG 3.69Å; N271-Y457 VanDerWaalsContact CG-CG 3.47Å; N271-Y457 WeakPolarHBondContact OD1-CD2 3.41Å
272	M	76	Confident	77.7	Confident	33 Å²	33	21.2 Å²	21.2	16%	0.163	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.5	-66.9	173.4	60.5	0	0	110.9	T268 V269 S274 S275 L276 L379 A382 F383 P462	T268-M272 PolarHBondContact O-N 2.85Å; T268-M272 VanDerWaalsContact O-N 3.14Å; V269-M272 WeakPolarHBondContact O-CA 3.47Å; V269-M272 WeakPolarHBondContact O-CB 3.32Å; V269-M272 PolarHBondContact O-N 2.96Å; M272-S274 PolarHBondContact O-N 3.25Å; M272-S275 WeakPolarHBondContact O-CB 3.4Å; M272-S275 PolarHBondContact O-N 3.31Å; M272-S275 VanDerWaalsContact O-N 3.13Å; M272-L276 WeakPolarHBondContact O-CG 3.4Å; M272-L276 PolarHBondContact O-N 3.43Å; M272-L379 HydrophobicContact CE-CB 4.44Å; M272-L379 WeakPolarHBondContact CE-O 3.18Å; M272-L379 HydrophobicContact SD-CB 4.38Å; M272-L379 HydrophobicContact SD-CD2 4.29Å; M272-A382 HydrophobicContact CB-CB 3.52Å; M272-A382 HydrophobicContact CE-CB 3.99Å; M272-A382 HydrophobicContact SD-CB 4.37Å; M272-F383 HydrophobicContact CE-CE2 4.4Å; M272-P462 HydrophobicContact CG-CG 3.87Å; M272-P462 HydrophobicContact SD-CB 4.16Å; M272-P462 HydrophobicContact SD-CG 3.87Å
273	V	82.8	Confident	77.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-48.6	174.1	-178.5	0	0	0	0	110.6	V269 M270 S275 L276 F277 I288 A382 I385	V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 2.77Å; M270-V273 PolarHBondContact O-N 2.83Å; M270-V273 HydrophobicContact SD-CG2 4.34Å; V273-S275 VanDerWaalsContact C-N 3.26Å; V273-S275 PolarHBondContact O-N 3.19Å; V273-L276 WeakPolarHBondContact O-CB 3.48Å; V273-L276 PolarHBondContact O-N 3.42Å; V273-F277 HydrophobicContact CG1-CD2 4.02Å; V273-F277 HydrophobicContact CG1-CE2 3.99Å; V273-F277 WeakPolarHBondContact O-CD2 3.4Å; V273-F277 PolarHBondContact O-N 2.87Å; V273-F277 VanDerWaalsContact O-N 3.13Å; V273-I288 HydrophobicContact CG1-CD1 3.72Å; V273-A382 HydrophobicContact CG2-CB 3.97Å; V273-A382 WeakPolarHBondContact CG2-O 3.31Å; V273-I385 HydrophobicContact CG1-CG2 3.97Å; V273-I385 HydrophobicContact CG2-CB 3.84Å; V273-I385 HydrophobicContact CG2-CD1 4.15Å; V273-I385 HydrophobicContact CG2-CG2 3.82Å
274	S	81.1	Confident	77.1	Confident	7 Å²	7	22.4 Å²	22.4	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-39.4	176.6	-165	0	0	0	0	111.8	M270 N271 M272 F277 K278 I288	M270-S274 WeakPolarHBondContact O-CB 3.3Å; M270-S274 PolarHBondContact O-N 3.07Å; N271-S274 WeakPolarHBondContact O-CB 3.39Å; N271-S274 PolarHBondContact O-N 2.66Å; M272-S274 PolarHBondContact O-N 3.25Å; S274-F277 PolarHBondContact O-N 2.91Å; S274-K278 WeakPolarHBondContact O-CG 3.48Å; S274-K278 PolarHBondContact O-N 2.87Å; S274-K278 VanDerWaalsContact O-N 3.13Å; S274-I288 PolarHBondContact OG-O 3.45Å
275	S	75	Confident	76.9	Confident	64 Å²	64	22.6 Å²	22.6	45%	0.448	13%	0.133	S	C	.	.	H	α-helix	trans	-66.2	-34.3	175	-170.6	0	0	0	0	113.2	N271 M272 V273 K278 D279	N271-S275 PolarHBondContact O-N 3.25Å; M272-S275 WeakPolarHBondContact O-CB 3.4Å; M272-S275 PolarHBondContact O-N 3.31Å; M272-S275 VanDerWaalsContact O-N 3.13Å; V273-S275 VanDerWaalsContact C-N 3.26Å; V273-S275 PolarHBondContact O-N 3.19Å; S275-K278 PolarHBondContact O-N 3.21Å; S275-D279 PolarHBondContact O-N 2.84Å
276	L	78.8	Confident	76.8	Confident	22 Å²	22	22.5 Å²	22.5	12%	0.115	13%	0.133	C	C	.	.	H	α-helix	trans	-69.9	-36.7	177.8	-68.8	171.1	0	0	0	112.2	M272 V273 K278 D279 F383 A386 I411 W425	M272-L276 WeakPolarHBondContact O-CG 3.4Å; M272-L276 PolarHBondContact O-N 3.43Å; V273-L276 WeakPolarHBondContact O-CB 3.48Å; V273-L276 PolarHBondContact O-N 3.42Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-D279 WeakPolarHBondContact O-CB 3.29Å; L276-D279 PolarHBondContact O-N 3.16Å; L276-F383 HydrophobicContact CD1-CD1 3.68Å; L276-F383 HydrophobicContact CD1-CE1 3.91Å; L276-F383 HydrophobicContact CD1-CG 4.32Å; L276-F383 HydrophobicContact CD2-CD1 4.14Å; L276-F383 HydrophobicContact CD2-CE1 3.7Å; L276-F383 HydrophobicContact CG-CE1 4.42Å; L276-A386 HydrophobicContact CB-CB 4.42Å; L276-A386 HydrophobicContact CD1-CB 3.84Å; L276-I411 HydrophobicContact CD2-CD1 4.37Å; L276-W425 PolarHBondContact O-NE1 2.95Å
277	F	80.3	Confident	76.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-78	-14.2	174.6	-79.5	-89.2	0	0	0	113.7	V273 S274 I282 I286 I288 A386 F393 W425	V273-F277 HydrophobicContact CG1-CD2 4.02Å; V273-F277 HydrophobicContact CG1-CE2 3.99Å; V273-F277 WeakPolarHBondContact O-CD2 3.4Å; V273-F277 PolarHBondContact O-N 2.87Å; V273-F277 VanDerWaalsContact O-N 3.13Å; S274-F277 PolarHBondContact O-N 2.91Å; F277-I282 HydrophobicContact CD1-CD1 3.46Å; F277-I282 VanDerWaalsContact CD1-CD1 3.46Å; F277-I282 HydrophobicContact CE1-CD1 3.96Å; F277-I282 HydrophobicContact CG-CD1 4.34Å; F277-I286 HydrophobicContact CD1-CG2 4.31Å; F277-I288 HydrophobicContact CB-CD1 4.09Å; F277-I288 HydrophobicContact CB-CG1 4.38Å; F277-I288 HydrophobicContact CD1-CD1 4.31Å; F277-I288 HydrophobicContact CD2-CD1 3.13Å; F277-I288 HydrophobicContact CD2-CG1 4.25Å; F277-I288 HydrophobicContact CE2-CD1 3.46Å; F277-I288 VanDerWaalsContact CE2-CD1 3.46Å; F277-I288 HydrophobicContact CG-CD1 3.59Å; F277-I288 HydrophobicContact CG-CG1 4.29Å; F277-I288 HydrophobicContact CZ-CD1 4.22Å; F277-A386 HydrophobicContact CE2-CB 3.82Å; F277-F393 HydrophobicContact CD1-CE2 4.45Å; F277-F393 HydrophobicContact CE1-CD2 4.06Å; F277-F393 AromaticContact CE1-CE2 3.66Å; F277-F393 HydrophobicContact CE1-CE2 3.66Å; F277-F393 HydrophobicContact CZ-CE2 4.19Å; F277-W425 HydrophobicContact CD1-CZ2 4.07Å; F277-W425 HydrophobicContact CD2-CZ2 4.35Å; F277-W425 AromaticContact CE1-CH2 3.83Å; F277-W425 HydrophobicContact CE1-CH2 3.83Å; F277-W425 AromaticContact CE1-CZ2 3.77Å; F277-W425 HydrophobicContact CE1-CZ2 3.77Å; F277-W425 HydrophobicContact CE2-CH2 4.39Å; F277-W425 HydrophobicContact CE2-CZ2 4.13Å; F277-W425 HydrophobicContact CG-CZ2 4.36Å; F277-W425 AromaticContact CZ-CH2 3.74Å; F277-W425 HydrophobicContact CZ-CH2 3.74Å; F277-W425 AromaticContact CZ-CZ2 3.82Å; F277-W425 HydrophobicContact CZ-CZ2 3.82Å
278	K	73.5	Confident	76.8	Confident	84 Å²	84	24 Å²	24	37%	0.365	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.9	169.5	-73.5	-179	178.3	-177.8	0	113.8	S274 S275 L276 G280 N287	S274-K278 WeakPolarHBondContact O-CG 3.48Å; S274-K278 PolarHBondContact O-N 2.87Å; S274-K278 VanDerWaalsContact O-N 3.13Å; S275-K278 PolarHBondContact O-N 3.21Å; L276-K278 VanDerWaalsContact C-N 3.3Å; K278-G280 PolarHBondContact O-N 2.82Å; K278-N287 WeakPolarHBondContact CE-OD1 3.26Å
279	D	74.2	Confident	76.9	Confident	53 Å²	53	25.5 Å²	25.5	28%	0.283	15%	0.15	S	C	.	.	S	Bend	trans	-67	131.1	176.5	-168.2	-68.8	0	0	0	110.5	S275 L276 T281 I282	S275-D279 PolarHBondContact O-N 2.84Å; L276-D279 WeakPolarHBondContact O-CB 3.29Å; L276-D279 PolarHBondContact O-N 3.16Å; D279-T281 PolarHBondContact O-N 3Å; D279-T281 VanDerWaalsContact OD1-CB 3.27Å; D279-T281 WeakPolarHBondContact OD1-CB 3.36Å; D279-T281 VanDerWaalsContact OD1-CG2 3.27Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.35Å; D279-T281 PolarHBondContact OD1-N 2.85Å; D279-T281 PolarHBondContact OD1-OG1 3.24Å; D279-I282 VanDerWaalsContact O-CG2 3.24Å; D279-I282 WeakPolarHBondContact O-CG2 3.16Å; D279-I282 PolarHBondContact O-N 3.17Å; D279-I282 VanDerWaalsContact O-N 3.13Å
280	G	66.9	Low	76.8	Confident	9 Å²	9	27.1 Å²	27.1	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.1	-179	0	0	0	0	0	114.9	K278 I282	K278-G280 PolarHBondContact O-N 2.82Å; G280-I282 VanDerWaalsContact C-N 3.35Å
281	T	78.4	Confident	76.5	Confident	27 Å²	27	29.1 Å²	29.1	17%	0.166	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.6	175.9	56	0	0	0	0	113.5	D279 G283 W425	D279-T281 PolarHBondContact O-N 3Å; D279-T281 VanDerWaalsContact OD1-CB 3.27Å; D279-T281 WeakPolarHBondContact OD1-CB 3.36Å; D279-T281 VanDerWaalsContact OD1-CG2 3.27Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.35Å; D279-T281 PolarHBondContact OD1-N 2.85Å; D279-T281 PolarHBondContact OD1-OG1 3.24Å; T281-G283 VanDerWaalsContact C-N 3.29Å; T281-G283 PolarHBondContact O-N 3.15Å; T281-W425 PolarHBondContact OG1-N 2.98Å; T281-W425 VanDerWaalsContact OG1-N 3.08Å
282	I	80.2	Confident	76.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-69.5	-27.8	-180	-154.1	177.1	0	0	0	112.6	F277 D279 G280 S284 W425 R430 L433 F578	F277-I282 HydrophobicContact CD1-CD1 3.46Å; F277-I282 VanDerWaalsContact CD1-CD1 3.46Å; F277-I282 HydrophobicContact CE1-CD1 3.96Å; F277-I282 HydrophobicContact CG-CD1 4.34Å; D279-I282 VanDerWaalsContact O-CG2 3.24Å; D279-I282 WeakPolarHBondContact O-CG2 3.16Å; D279-I282 PolarHBondContact O-N 3.17Å; D279-I282 VanDerWaalsContact O-N 3.13Å; G280-I282 VanDerWaalsContact C-N 3.35Å; I282-S284 VanDerWaalsContact CG2-O 3.24Å; I282-S284 WeakPolarHBondContact CG2-O 3.46Å; I282-S284 PolarHBondContact O-N 3.31Å; I282-W425 HydrophobicContact CB-CB 4.31Å; I282-W425 HydrophobicContact CB-CD2 4.36Å; I282-W425 HydrophobicContact CB-CG 3.82Å; I282-W425 HydrophobicContact CD1-CD2 4.06Å; I282-W425 HydrophobicContact CD1-CG 4.42Å; I282-W425 HydrophobicContact CD1-CZ2 3.91Å; I282-W425 HydrophobicContact CG1-CB 4.42Å; I282-W425 HydrophobicContact CG1-CD2 3.85Å; I282-W425 HydrophobicContact CG1-CG 3.8Å; I282-R430 WeakPolarHBondContact O-CB 3.5Å; I282-R430 VanDerWaalsContact O-CG 3.24Å; I282-R430 WeakPolarHBondContact O-CG 2.91Å; I282-L433 HydrophobicContact CD1-CD2 3.79Å; I282-L433 HydrophobicContact CG1-CD2 3.61Å; I282-F578 HydrophobicContact CG2-CZ 4.48Å
283	G	70.4	Confident	76.6	Confident	26 Å²	26	26.8 Å²	26.8	27%	0.268	16%	0.161	S	C	.	.			trans	85.9	-8.9	173.4	0	0	0	0	0	117	T281	T281-G283 VanDerWaalsContact C-N 3.29Å; T281-G283 PolarHBondContact O-N 3.15Å
284	S	71.9	Confident	76.6	Confident	29 Å²	29	27.3 Å²	27.3	20%	0.203	16%	0.164	C	C	.	.	S	Bend	trans	-131.8	148.6	178.5	-63.3	0	0	0	0	111	I282 I286	I282-S284 VanDerWaalsContact CG2-O 3.24Å; I282-S284 WeakPolarHBondContact CG2-O 3.46Å; I282-S284 PolarHBondContact O-N 3.31Å; S284-I286 PolarHBondContact O-N 2.81Å
285	D	71.4	Confident	76.6	Confident	57 Å²	57	27.4 Å²	27.4	31%	0.305	16%	0.164	S	C	.	.			trans	-84.3	94.3	179	-169.2	21.5	0	0	0	110.5	L241 F578	L241-D285 PolarHBondContact N-O 2.89Å; D285-F578 HydrophobicContact CB-CB 3.98Å; D285-F578 HydrophobicContact CB-CD2 3.81Å; D285-F578 HydrophobicContact CB-CE2 4.48Å; D285-F578 HydrophobicContact CB-CG 3.9Å
286	I	79.9	Confident	76.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121	178.4	-60.4	-178.7	0	0	0	109.3	V243 F277 S284 F393 L433	V243-I286 HydrophobicContact CG2-CG2 3.66Å; F277-I286 HydrophobicContact CD1-CG2 4.31Å; S284-I286 PolarHBondContact O-N 2.81Å; I286-F393 HydrophobicContact CD1-CE1 4.39Å; I286-F393 HydrophobicContact CD1-CZ 4.19Å; I286-F393 HydrophobicContact CG2-CZ 4.4Å; I286-L433 HydrophobicContact CD1-CD1 3.73Å; I286-L433 HydrophobicContact CD1-CD2 3.63Å; I286-L433 HydrophobicContact CD1-CG 4.16Å
287	N	77.1	Confident	76.8	Confident	34 Å²	34	25.6 Å²	25.6	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.3	176.3	-66.6	-59.1	0	0	0	109.8	L241 N242 V243 K278	L241-N287 PolarHBondContact O-N 3.1Å; N242-N287 CarbonylContact C-O 3.54Å; N242-N287 WeakPolarHBondContact CA-O 3.48Å; N242-N287 WeakPolarHBondContact OD1-CB 3.29Å; V243-N287 PolarHBondContact N-O 2.83Å; K278-N287 WeakPolarHBondContact CE-OD1 3.26Å
288	I	80.2	Confident	76.3	Confident	10 Å²	10	30.1 Å²	30.1	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.7	170.4	-65.2	-177.2	0	0	0	108.8	V243 M270 V273 S274 F277	V243-I288 HydrophobicContact CB-CG1 4.35Å; M270-I288 HydrophobicContact CE-CG2 3.94Å; V273-I288 HydrophobicContact CG1-CD1 3.72Å; S274-I288 PolarHBondContact OG-O 3.45Å; F277-I288 HydrophobicContact CB-CD1 4.09Å; F277-I288 HydrophobicContact CB-CG1 4.38Å; F277-I288 HydrophobicContact CD1-CD1 4.31Å; F277-I288 HydrophobicContact CD2-CD1 3.13Å; F277-I288 HydrophobicContact CD2-CG1 4.25Å; F277-I288 HydrophobicContact CE2-CD1 3.46Å; F277-I288 VanDerWaalsContact CE2-CD1 3.46Å; F277-I288 HydrophobicContact CG-CD1 3.59Å; F277-I288 HydrophobicContact CG-CG1 4.29Å; F277-I288 HydrophobicContact CZ-CD1 4.22Å
289	V	77.6	Confident	76	Confident	33 Å²	33	31.8 Å²	31.8	20%	0.2	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.9	-176.9	-177.5	0	0	0	0	108.9	V243 T245 V291	V243-V289 PolarHBondContact O-N 3.35Å; T245-V289 PolarHBondContact N-O 2.96Å; V289-V291 HydrophobicContact CG1-CG1 4.45Å; V289-V291 PolarHBondContact O-N 3.1Å
290	V	78.6	Confident	75.8	Confident	35 Å²	35	30 Å²	30	21%	0.212	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.1	175.3	-178.5	0	0	0	0	108.9	T245 V247 M270	T245-V290 WeakPolarHBondContact O-CA 3.49Å; V247-V290 HydrophobicContact CG2-CG1 4.02Å; V247-V290 HydrophobicContact CG2-CG2 4.25Å; M270-V290 HydrophobicContact CB-CG2 3.86Å; M270-V290 HydrophobicContact CE-CG2 3.89Å; M270-V290 HydrophobicContact CG-CG2 3.97Å
291	V	74.9	Confident	75.7	Confident	43 Å²	43	37.2 Å²	37.2	26%	0.261	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-24.8	-178.6	-65.6	0	0	0	0	113.1	E244 T245 V289 H331	E244-V291 HydrophobicContact CB-CG1 3.66Å; E244-V291 HydrophobicContact CB-CG2 4.24Å; E244-V291 HydrophobicContact CG-CG1 3.86Å; T245-V291 WeakPolarHBondContact O-CG2 3.24Å; T245-V291 PolarHBondContact O-N 2.73Å; V289-V291 HydrophobicContact CG1-CG1 4.45Å; V289-V291 PolarHBondContact O-N 3.1Å; V291-H331 HydrophobicContact CG2-CB 3.92Å
292	S	74.5	Confident	75.2	Confident	17 Å²	17	39.1 Å²	39.1	12%	0.119	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	141.2	179.2	-175.8	0	0	0	0	110.4	V247	V247-S292 PolarHBondContact N-O 2.62Å
293	L	80.8	Confident	75.3	Confident	13 Å²	13	39.8 Å²	39.8	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	171.6	177.4	64.6	0	0	0	108.7	V247 T263 V266 L295	V247-L293 HydrophobicContact CB-CD1 3.9Å; V247-L293 HydrophobicContact CG1-CD1 3.88Å; V247-L293 CarbonylContact O-C 3.52Å; V247-L293 WeakPolarHBondContact O-CA 3.44Å; T263-L293 HydrophobicContact CG2-CD2 3.8Å; V266-L293 HydrophobicContact CG1-CD1 3.78Å; L293-L295 HydrophobicContact CD1-CD2 4.25Å; L293-L295 HydrophobicContact CD2-CD2 4.3Å; L293-L295 HydrophobicContact CG-CD2 4.14Å
294	L	81.8	Confident	76	Confident	11 Å²	11	43.1 Å²	43.1	6%	0.058	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126	175.8	-61.5	179.9	0	0	0	109.5	Q72 L246 V247 V248 A249 W319 L323	Q72-L294 HydrophobicContact CB-CD2 3.75Å; L246-L294 HydrophobicContact CD1-CD1 3.92Å; L246-L294 HydrophobicContact CD1-CG 3.95Å; V247-L294 PolarHBondContact O-N 3.42Å; V248-L294 WeakPolarHBondContact CA-O 3.33Å; V248-L294 HydrophobicContact CG1-CB 4.35Å; V248-L294 HydrophobicContact CG2-CB 4.26Å; V248-L294 HydrophobicContact CG2-CD1 4.27Å; A249-L294 PolarHBondContact N-O 2.8Å; L294-W319 HydrophobicContact CD1-CH2 3.96Å; L294-W319 HydrophobicContact CD1-CZ3 4.5Å; L294-L323 HydrophobicContact CD1-CD1 3.98Å
295	L	82.1	Confident	76.5	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.5	173.7	-56.8	-179	0	0	0	108.1	V71 Q72 V74 A249 L254 V262 L293	V71-L295 HydrophobicContact CG1-CD1 4.43Å; Q72-L295 PolarHBondContact O-N 2.79Å; V74-L295 PolarHBondContact N-O 2.95Å; A249-L295 HydrophobicContact CB-CD2 3.82Å; L254-L295 HydrophobicContact CD1-CB 4.3Å; L254-L295 HydrophobicContact CD2-CB 4.4Å; V262-L295 HydrophobicContact CG1-CD1 4.1Å; V262-L295 HydrophobicContact CG1-CD2 4.16Å; L293-L295 HydrophobicContact CD1-CD2 4.25Å; L293-L295 HydrophobicContact CD2-CD2 4.3Å; L293-L295 HydrophobicContact CG-CD2 4.14Å
296	L	81.8	Confident	77.1	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.3	-179.9	-57.1	-179.1	0	0	0	109.4	V74 V248 A249 R251 A300 L303	V74-L296 HydrophobicContact CB-CD2 4.48Å; V248-L296 HydrophobicContact CG1-CD1 3.7Å; V248-L296 HydrophobicContact CG1-CD2 4.45Å; V248-L296 HydrophobicContact CG1-CG 3.9Å; A249-L296 PolarHBondContact O-N 3.12Å; R251-L296 VanDerWaalsContact CA-O 3.25Å; R251-L296 WeakPolarHBondContact CA-O 3.37Å; R251-L296 PolarHBondContact N-O 3Å; L296-A300 HydrophobicContact CD2-CB 4.22Å; L296-L303 HydrophobicContact CD1-CD2 3.57Å
297	E	75.9	Confident	77.1	Confident	45 Å²	45	44 Å²	44	21%	0.21	25%	0.25	C	S	.	.	S	Bend	trans	-81	-28.7	176.2	-62.3	-166.2	147	0	0	112.2	T73 R251 L254 R259	T73-E297 HydrophobicContact CG2-CG 3.51Å; T73-E297 VanDerWaalsContact CG2-OE1 3.26Å; T73-E297 WeakPolarHBondContact CG2-OE1 3.02Å; R251-E297 VanDerWaalsContact CD-O 3.26Å; R251-E297 WeakPolarHBondContact CD-O 3.35Å; L254-E297 HydrophobicContact CD2-CG 4Å; R259-E297 IonicContact CZ-OE1 3.29Å; R259-E297 IonicContact NE-OE1 2.88Å; R259-E297 PolarHBondContact NE-OE1 3.17Å; R259-E297 IonicContact NH1-OE1 2.84Å; R259-E297 PolarHBondContact NH1-OE1 3.06Å; R259-E297 IonicContact NH1-OE2 3.8Å; R259-E297 IonicContact NH2-OE1 2.74Å; R259-E297 PolarHBondContact NH2-OE1 3.38Å; R259-E297 IonicContact NH2-OE2 3.63Å
298	H	70.9	Confident	77.2	Confident	94 Å²	94	43.8 Å²	43.8	44%	0.435	25%	0.248	S	C	.	.	S	Bend	trans	-130.6	160.9	176	-62.6	-61.7	0	0	0	110	S76 A300	S76-H298 PolarHBondContact OG-CD2 3.32Å; H298-A300 PolarHBondContact O-N 2.79Å; H298-A300 VanDerWaalsContact O-N 3.11Å
299	D	67.3	Low	77.1	Confident	119 Å²	119	43.3 Å²	43.3	64%	0.636	25%	0.246	S	C	*	.			trans	-64.5	114.8	178.8	-55.6	-19.1	0	0	0	108.2	R251	R251-D299 IonicContact NE-OD1 3.72Å; R251-D299 PolarHBondContact NE-OD1 2.69Å; R251-D299 IonicContact NH2-OD1 3.13Å; R251-D299 IonicContact NH2-OD2 2.77Å
300	A	68.1	Low	77.1	Confident	16 Å²	16	43.9 Å²	43.9	13%	0.132	25%	0.248	C	C	.	.			trans	-71.9	140.7	-172.6	0	0	0	0	0	111.4	L296 H298 G302 L303 W319	L296-A300 HydrophobicContact CD2-CB 4.22Å; H298-A300 PolarHBondContact O-N 2.79Å; H298-A300 VanDerWaalsContact O-N 3.11Å; A300-G302 PolarHBondContact O-N 2.97Å; A300-L303 HydrophobicContact CB-CB 4.26Å; A300-L303 PolarHBondContact O-N 3.21Å; A300-W319 HydrophobicContact CB-CZ2 4.3Å
301	L	66.8	Low	77.2	Confident	161 Å²	161	47 Å²	47	84%	0.843	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	123.1	177.2	-74.5	165.8	0	0	0	111
302	G	67.7	Low	77.7	Confident	66 Å²	66	45 Å²	45	68%	0.68	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	0.4	-178.9	0	0	0	0	0	115.6	A300	A300-G302 PolarHBondContact O-N 2.97Å
303	L	82.1	Confident	78.2	Confident	14 Å²	14	44.4 Å²	44.4	7%	0.073	24%	0.243	C	C	.	.			trans	-112.9	116	174.9	-178.5	62	0	0	0	110.2	L296 A300 I305 F316 W319	L296-L303 HydrophobicContact CD1-CD2 3.57Å; A300-L303 HydrophobicContact CB-CB 4.26Å; A300-L303 PolarHBondContact O-N 3.21Å; L303-I305 HydrophobicContact CD1-CG1 4.29Å; L303-I305 HydrophobicContact CD2-CD1 4.03Å; L303-I305 HydrophobicContact CD2-CG1 4.36Å; L303-I305 HydrophobicContact CG-CD1 4.22Å; L303-I305 HydrophobicContact CG-CG1 3.99Å; L303-F316 HydrophobicContact CD1-CB 3.93Å; L303-F316 HydrophobicContact CD1-CD2 3.92Å; L303-F316 HydrophobicContact CD1-CG 4.45Å; L303-W319 HydrophobicContact CB-CB 4.4Å; L303-W319 HydrophobicContact CB-CD2 4.3Å; L303-W319 HydrophobicContact CB-CG 3.95Å; L303-W319 HydrophobicContact CD1-CB 4.13Å; L303-W319 HydrophobicContact CD1-CG 4.31Å; L303-W319 HydrophobicContact CD2-CD2 4.27Å; L303-W319 HydrophobicContact CD2-CE3 4.33Å
304	N	84.1	Confident	78.3	Confident	96 Å²	96	48.4 Å²	48.4	51%	0.513	27%	0.265	S	S	.	.			trans	-112	113.3	177.1	-173	14	0	0	0	109.8	S315	N304-S315 PolarHBondContact N-OG 3.23Å
305	I	83.9	Confident	78.5	Confident	39 Å²	39	48.9 Å²	48.9	20%	0.2	27%	0.269	C	S	.	.			trans	-113.5	120.3	178.6	-49.7	173	0	0	0	107.8	D250 L303 L336 L340	D250-I305 HydrophobicContact CB-CD1 3.74Å; L303-I305 HydrophobicContact CD1-CG1 4.29Å; L303-I305 HydrophobicContact CD2-CD1 4.03Å; L303-I305 HydrophobicContact CD2-CG1 4.36Å; L303-I305 HydrophobicContact CG-CD1 4.22Å; L303-I305 HydrophobicContact CG-CG1 3.99Å; I305-L336 HydrophobicContact CD1-CD1 4.01Å; I305-L336 HydrophobicContact CD1-CD2 3.91Å; I305-L336 HydrophobicContact CG1-CD2 4.11Å; I305-L336 HydrophobicContact CG2-CD2 4.46Å; I305-L340 HydrophobicContact CG2-CD1 3.89Å
306	N	83.7	Confident	78.8	Confident	19 Å²	19	48.5 Å²	48.5	10%	0.102	27%	0.267	C	S	.	.			trans	-140.8	-178.9	-178.3	67.8	27.9	0	0	0	111.3	H308 Q311 S312	N306-H308 PolarHBondContact O-N 3.35Å; N306-H308 WeakPolarHBondContact OD1-CA 3.39Å; N306-H308 VanDerWaalsContact OD1-CB 3.24Å; N306-H308 WeakPolarHBondContact OD1-CB 3.33Å; N306-H308 PolarHBondContact OD1-N 2.66Å; N306-H308 PolarHBondContact OD1-O 2.84Å; N306-H308 VanDerWaalsContact OD1-O 3.06Å; N306-Q311 PolarHBondContact ND2-OE1 2.75Å; N306-Q311 VanDerWaalsContact ND2-OE1 3.09Å; N306-S312 PolarHBondContact N-OG 2.88Å; N306-S312 PolarHBondContact O-OG 2.93Å; N306-S312 PolarHBondContact OD1-OG 2.82Å; N306-S312 VanDerWaalsContact OD1-OG 3.06Å
307	H	79.8	Confident	78.9	Confident	47 Å²	47	48.5 Å²	48.5	22%	0.218	27%	0.267	C	S	.	.	S	Bend	trans	-69.1	-11.1	179.9	-68.2	-78.8	0	0	0	112.9	D341 C343 N347	H307-D341 PolarHBondContact ND1-O 3.12Å; H307-C343 WeakPolarHBondContact O-CA 3.08Å; H307-C343 WeakPolarHBondContact O-CB 3.27Å; H307-C343 PolarHBondContact O-N 2.95Å; H307-N347 PolarHBondContact N-OD1 3.29Å
308	H	79.6	Confident	79.3	Confident	29 Å²	29	52.7 Å²	52.7	13%	0.134	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-90	113.1	178.8	-165.4	-46.9	0	0	0	111.1	N306 D310 Q311 S312 S344	N306-H308 PolarHBondContact O-N 3.35Å; N306-H308 WeakPolarHBondContact OD1-CA 3.39Å; N306-H308 VanDerWaalsContact OD1-CB 3.24Å; N306-H308 WeakPolarHBondContact OD1-CB 3.33Å; N306-H308 PolarHBondContact OD1-N 2.66Å; N306-H308 PolarHBondContact OD1-O 2.84Å; N306-H308 VanDerWaalsContact OD1-O 3.06Å; H308-D310 PolarHBondContact ND1-N 2.9Å; H308-D310 PolarHBondContact O-N 3.49Å; H308-Q311 HydrophobicContact CB-CB 4.24Å; H308-Q311 HydrophobicContact CB-CG 4.24Å; H308-Q311 PolarHBondContact O-N 3.09Å; H308-S312 WeakPolarHBondContact O-CB 3.24Å; H308-S312 PolarHBondContact O-N 3.12Å; H308-S312 VanDerWaalsContact O-N 3.07Å; H308-S312 PolarHBondContact O-OG 3.41Å; H308-S312 VanDerWaalsContact O-OG 3.07Å; H308-S344 PolarHBondContact CE1-O 3.11Å
309	A	78	Confident	80	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-51.1	-174.7	0	0	0	0	0	113	Q311 S312 L313 C343 F358 I373	A309-Q311 PolarHBondContact O-N 2.74Å; A309-S312 PolarHBondContact O-N 3.33Å; A309-L313 VanDerWaalsContact O-CB 3.32Å; A309-L313 WeakPolarHBondContact O-CB 3.38Å; A309-L313 PolarHBondContact O-N 2.95Å; A309-C343 WeakPolarHBondContact CB-O 3.26Å; A309-C343 PolarHBondContact N-O 3.03Å; A309-F358 HydrophobicContact CB-CB 4.13Å; A309-F358 HydrophobicContact CB-CD1 4.48Å; A309-F358 HydrophobicContact CB-CG 4.26Å; A309-I373 HydrophobicContact CB-CD1 4.07Å; A309-I373 WeakPolarHBondContact O-CD1 3.05Å
310	D	77.2	Confident	80.8	Confident	45 Å²	45	45 Å²	45	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-42.2	-178.6	-65.2	-4.3	0	0	0	113.7	H308 N314 F358	H308-D310 PolarHBondContact ND1-N 2.9Å; H308-D310 PolarHBondContact O-N 3.49Å; D310-N314 WeakPolarHBondContact O-CB 3.28Å; D310-N314 PolarHBondContact O-N 3.12Å; D310-N314 PolarHBondContact O-ND2 2.87Å; D310-F358 WeakPolarHBondContact OD1-CE1 3.43Å; D310-F358 WeakPolarHBondContact OD1-CZ 3.29Å
311	Q	80.6	Confident	81.4	Confident	102 Å²	102	45 Å²	45	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-67.5	-45.5	-179.2	-66.3	-176.5	2.7	0	0	110.8	N306 H308 A309 N314 S315	N306-Q311 PolarHBondContact ND2-OE1 2.75Å; N306-Q311 VanDerWaalsContact ND2-OE1 3.09Å; H308-Q311 HydrophobicContact CB-CB 4.24Å; H308-Q311 HydrophobicContact CB-CG 4.24Å; H308-Q311 PolarHBondContact O-N 3.09Å; A309-Q311 PolarHBondContact O-N 2.74Å; Q311-N314 PolarHBondContact O-N 3.01Å; Q311-S315 WeakPolarHBondContact O-CB 3.44Å; Q311-S315 PolarHBondContact O-N 2.85Å
312	S	84.9	Confident	81.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-42.6	177.8	-62.9	0	0	0	0	111.7	N306 H308 A309 F316	N306-S312 PolarHBondContact N-OG 2.88Å; N306-S312 PolarHBondContact O-OG 2.93Å; N306-S312 PolarHBondContact OD1-OG 2.82Å; N306-S312 VanDerWaalsContact OD1-OG 3.06Å; H308-S312 WeakPolarHBondContact O-CB 3.24Å; H308-S312 PolarHBondContact O-N 3.12Å; H308-S312 VanDerWaalsContact O-N 3.07Å; H308-S312 PolarHBondContact O-OG 3.41Å; H308-S312 VanDerWaalsContact O-OG 3.07Å; A309-S312 PolarHBondContact O-N 3.33Å; S312-F316 VanDerWaalsContact O-CB 3.29Å; S312-F316 WeakPolarHBondContact O-CB 3.47Å; S312-F316 PolarHBondContact O-N 2.77Å
313	L	85.4	Confident	81.7	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-53	175.9	179.2	67.6	0	0	0	110.7	A309 S315 F316 C317 F358 P360 C371 I373	A309-L313 VanDerWaalsContact O-CB 3.32Å; A309-L313 WeakPolarHBondContact O-CB 3.38Å; A309-L313 PolarHBondContact O-N 2.95Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-S315 PolarHBondContact O-N 2.75Å; L313-F316 PolarHBondContact O-N 3.11Å; L313-F316 VanDerWaalsContact O-N 3.16Å; L313-C317 VanDerWaalsContact CD1-SG 3.56Å; L313-C317 WeakPolarHBondContact O-CB 3.11Å; L313-C317 PolarHBondContact O-N 2.8Å; L313-C317 PolarHBondContact O-SG 2.85Å; L313-F358 HydrophobicContact CB-CD1 4.11Å; L313-F358 HydrophobicContact CD2-CD1 3.29Å; L313-F358 HydrophobicContact CD2-CE1 3.62Å; L313-F358 HydrophobicContact CD2-CG 4.35Å; L313-F358 HydrophobicContact CG-CD1 4.28Å; L313-P360 HydrophobicContact CD2-CG 4.02Å; L313-C371 HydrophobicContact CD1-CB 4.4Å; L313-I373 HydrophobicContact CB-CD1 4.02Å; L313-I373 HydrophobicContact CB-CG1 4.28Å; L313-I373 HydrophobicContact CB-CG2 4.2Å; L313-I373 HydrophobicContact CD1-CG1 4.41Å; L313-I373 HydrophobicContact CD1-CG2 3.92Å
314	N	83	Confident	80.6	Confident	97 Å²	97	41.3 Å²	41.3	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-42.7	-178.7	-76.9	-30.6	0	0	0	112.2	D310 Q311 Q318	D310-N314 WeakPolarHBondContact O-CB 3.28Å; D310-N314 PolarHBondContact O-N 3.12Å; D310-N314 PolarHBondContact O-ND2 2.87Å; Q311-N314 PolarHBondContact O-N 3.01Å; N314-Q318 VanDerWaalsContact O-CG 3.31Å; N314-Q318 WeakPolarHBondContact O-CG 3.48Å; N314-Q318 PolarHBondContact O-N 3.21Å; N314-Q318 VanDerWaalsContact O-N 3.08Å
315	S	84.8	Confident	78.9	Confident	20 Å²	20	39.9 Å²	39.9	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-44.9	175.9	-176.7	0	0	0	0	111.6	N304 Q311 L313 Q318 W319	N304-S315 PolarHBondContact N-OG 3.23Å; Q311-S315 WeakPolarHBondContact O-CB 3.44Å; Q311-S315 PolarHBondContact O-N 2.85Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-S315 PolarHBondContact O-N 2.75Å; S315-Q318 PolarHBondContact O-N 3.26Å; S315-W319 WeakPolarHBondContact O-CB 3.4Å; S315-W319 PolarHBondContact O-N 2.7Å
316	F	88.1	Confident	76.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-45	178	179.1	-113.6	0	0	0	112.9	V248 L303 S312 L313 Q318 W319 Q320 A334 L336 C371 I373	V248-F316 HydrophobicContact CB-CE2 4.06Å; V248-F316 HydrophobicContact CB-CZ 4.37Å; V248-F316 HydrophobicContact CG1-CE2 4.45Å; V248-F316 HydrophobicContact CG2-CE2 3.87Å; V248-F316 HydrophobicContact CG2-CZ 4.05Å; L303-F316 HydrophobicContact CD1-CB 3.93Å; L303-F316 HydrophobicContact CD1-CD2 3.92Å; L303-F316 HydrophobicContact CD1-CG 4.45Å; S312-F316 VanDerWaalsContact O-CB 3.29Å; S312-F316 WeakPolarHBondContact O-CB 3.47Å; S312-F316 PolarHBondContact O-N 2.77Å; L313-F316 PolarHBondContact O-N 3.11Å; L313-F316 VanDerWaalsContact O-N 3.16Å; F316-Q318 VanDerWaalsContact C-N 3.3Å; F316-Q318 PolarHBondContact O-N 3.1Å; F316-W319 HydrophobicContact CD2-CE3 4.24Å; F316-W319 HydrophobicContact CE2-CE3 4.18Å; F316-W319 HydrophobicContact CE2-CZ3 4.23Å; F316-W319 PolarHBondContact O-N 3.17Å; F316-Q320 WeakPolarHBondContact O-CB 3.18Å; F316-Q320 VanDerWaalsContact O-CG 3.29Å; F316-Q320 WeakPolarHBondContact O-CG 3.46Å; F316-Q320 PolarHBondContact O-N 3.46Å; F316-A334 HydrophobicContact CE1-CB 3.95Å; F316-A334 HydrophobicContact CZ-CB 3.92Å; F316-L336 HydrophobicContact CB-CD2 4.16Å; F316-L336 HydrophobicContact CD1-CB 3.83Å; F316-L336 HydrophobicContact CD2-CB 3.96Å; F316-L336 HydrophobicContact CD2-CD1 4.21Å; F316-L336 HydrophobicContact CD2-CD2 4.01Å; F316-L336 HydrophobicContact CD2-CG 4.29Å; F316-L336 HydrophobicContact CE1-CB 3.68Å; F316-L336 HydrophobicContact CE2-CB 3.81Å; F316-L336 HydrophobicContact CE2-CD1 4.12Å; F316-L336 HydrophobicContact CE2-CG 4.39Å; F316-L336 HydrophobicContact CG-CB 3.97Å; F316-L336 HydrophobicContact CG-CD2 3.99Å; F316-L336 HydrophobicContact CG-CG 4.5Å; F316-L336 HydrophobicContact CZ-CB 3.67Å; F316-C371 HydrophobicContact CD1-CB 4Å; F316-C371 HydrophobicContact CE1-CB 4.14Å; F316-I373 HydrophobicContact CB-CG2 4.43Å; F316-I373 HydrophobicContact CD1-CG2 4.35Å
317	C	85.8	Confident	74.8	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.034	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-38.6	178	-64	0	0	0	0	112.6	L313 Q320 S321 Y368 C371	L313-C317 VanDerWaalsContact CD1-SG 3.56Å; L313-C317 WeakPolarHBondContact O-CB 3.11Å; L313-C317 PolarHBondContact O-N 2.8Å; L313-C317 PolarHBondContact O-SG 2.85Å; C317-Q320 WeakPolarHBondContact O-CG 3.16Å; C317-Q320 PolarHBondContact O-NE2 3.32Å; C317-S321 PolarHBondContact O-N 2.85Å; C317-Y368 WeakPolarHBondContact CB-O 3.4Å; C317-C371 HydrophobicContact CB-CB 3.99Å; C317-C371 WeakPolarHBondContact CB-SG 3.15Å; C317-C371 WeakPolarHBondContact SG-CB 3.23Å; C317-C371 CovalentContact SG-SG 2Å; C317-C371 PolarHBondContact SG-SG 3.47Å
318	Q	83.8	Confident	73	Confident	133 Å²	133	51 Å²	51	62%	0.621	32%	0.32	S	S	*	.	H	α-helix	trans	-69.5	-47.2	174.2	-73	175.7	-2.3	0	0	111.2	N314 S315 F316 Q320 S321	N314-Q318 VanDerWaalsContact O-CG 3.31Å; N314-Q318 WeakPolarHBondContact O-CG 3.48Å; N314-Q318 PolarHBondContact O-N 3.21Å; N314-Q318 VanDerWaalsContact O-N 3.08Å; S315-Q318 PolarHBondContact O-N 3.26Å; F316-Q318 VanDerWaalsContact C-N 3.3Å; F316-Q318 PolarHBondContact O-N 3.1Å; Q318-Q320 PolarHBondContact O-N 3.17Å; Q318-S321 WeakPolarHBondContact O-CB 3.42Å; Q318-S321 PolarHBondContact O-N 2.88Å; Q318-S321 PolarHBondContact O-OG 3.43Å
319	W	84.4	Confident	71.7	Confident	47 Å²	47	52.5 Å²	52.5	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-47	-178.8	179.5	87.2	0	0	0	112.4	V248 L294 A300 L303 S315 F316 S321 G322 L323	V248-W319 HydrophobicContact CG2-CZ3 4.21Å; L294-W319 HydrophobicContact CD1-CH2 3.96Å; L294-W319 HydrophobicContact CD1-CZ3 4.5Å; A300-W319 HydrophobicContact CB-CZ2 4.3Å; L303-W319 HydrophobicContact CB-CB 4.4Å; L303-W319 HydrophobicContact CB-CD2 4.3Å; L303-W319 HydrophobicContact CB-CG 3.95Å; L303-W319 HydrophobicContact CD1-CB 4.13Å; L303-W319 HydrophobicContact CD1-CG 4.31Å; L303-W319 HydrophobicContact CD2-CD2 4.27Å; L303-W319 HydrophobicContact CD2-CE3 4.33Å; S315-W319 WeakPolarHBondContact O-CB 3.4Å; S315-W319 PolarHBondContact O-N 2.7Å; F316-W319 HydrophobicContact CD2-CE3 4.24Å; F316-W319 HydrophobicContact CE2-CE3 4.18Å; F316-W319 HydrophobicContact CE2-CZ3 4.23Å; F316-W319 PolarHBondContact O-N 3.17Å; W319-S321 PolarHBondContact O-N 2.83Å; W319-G322 PolarHBondContact O-N 3.38Å; W319-G322 VanDerWaalsContact O-N 3.12Å; W319-L323 HydrophobicContact CE3-CD1 4.04Å; W319-L323 HydrophobicContact CH2-CD1 3.62Å; W319-L323 HydrophobicContact CZ2-CD1 4.24Å; W319-L323 HydrophobicContact CZ3-CD1 3.49Å; W319-L323 VanDerWaalsContact CZ3-CD1 3.49Å
320	Q	84.7	Confident	71.2	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-63.8	-28.1	179.8	70	75.1	37.5	0	0	112.6	F316 C317 Q318 G322 L323 H331 A334 K367	F316-Q320 WeakPolarHBondContact O-CB 3.18Å; F316-Q320 VanDerWaalsContact O-CG 3.29Å; F316-Q320 WeakPolarHBondContact O-CG 3.46Å; F316-Q320 PolarHBondContact O-N 3.46Å; C317-Q320 WeakPolarHBondContact O-CG 3.16Å; C317-Q320 PolarHBondContact O-NE2 3.32Å; Q318-Q320 PolarHBondContact O-N 3.17Å; Q320-G322 PolarHBondContact O-N 3.46Å; Q320-L323 WeakPolarHBondContact O-CB 3.27Å; Q320-L323 PolarHBondContact O-N 2.92Å; Q320-L323 VanDerWaalsContact O-N 3.12Å; Q320-H331 PolarHBondContact OE1-NE2 2.93Å; Q320-A334 HydrophobicContact CB-CB 4.05Å; Q320-A334 HydrophobicContact CG-CB 3.91Å; Q320-K367 PolarHBondContact NE2-O 2.99Å
321	S	80.4	Confident	71.2	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-26.4	178.4	81.5	0	0	0	0	112.7	C317 Q318 W319 K367 Y368	C317-S321 PolarHBondContact O-N 2.85Å; Q318-S321 WeakPolarHBondContact O-CB 3.42Å; Q318-S321 PolarHBondContact O-N 2.88Å; Q318-S321 PolarHBondContact O-OG 3.43Å; W319-S321 PolarHBondContact O-N 2.83Å; S321-K367 VanDerWaalsContact CB-O 3.32Å; S321-K367 WeakPolarHBondContact CB-O 3.45Å; S321-Y368 WeakPolarHBondContact OG-CD1 3.4Å; S321-Y368 WeakPolarHBondContact OG-CE1 3.06Å
322	G	71.9	Confident	71.5	Confident	51 Å²	51	52.9 Å²	52.9	53%	0.526	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.8	176.6	0	0	0	0	0	114.2	W319 Q320	W319-G322 PolarHBondContact O-N 3.38Å; W319-G322 VanDerWaalsContact O-N 3.12Å; Q320-G322 PolarHBondContact O-N 3.46Å
323	L	69.6	Low	71.7	Confident	63 Å²	63	52.9 Å²	52.9	33%	0.33	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-22.6	173.9	-60.8	177.9	0	0	0	112.1	L246 L294 W319 Q320 G325	L246-L323 HydrophobicContact CD2-CD1 3.91Å; L294-L323 HydrophobicContact CD1-CD1 3.98Å; W319-L323 HydrophobicContact CE3-CD1 4.04Å; W319-L323 HydrophobicContact CH2-CD1 3.62Å; W319-L323 HydrophobicContact CZ2-CD1 4.24Å; W319-L323 HydrophobicContact CZ3-CD1 3.49Å; W319-L323 VanDerWaalsContact CZ3-CD1 3.49Å; Q320-L323 WeakPolarHBondContact O-CB 3.27Å; Q320-L323 PolarHBondContact O-N 2.92Å; Q320-L323 VanDerWaalsContact O-N 3.12Å; L323-G325 PolarHBondContact O-N 3.07Å; L323-G325 VanDerWaalsContact O-N 3.07Å
324	V	57.9	Low	71.9	Confident	50 Å²	50	52.7 Å²	52.7	30%	0.303	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	99	177.6	-176.3	0	0	0	0	109.4
325	G	50	Low	72.4	Confident	67 Å²	67	48.1 Å²	48.1	69%	0.691	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.5	-13.7	170.9	0	0	0	0	0	116.7	L323	L323-G325 PolarHBondContact O-N 3.07Å; L323-G325 VanDerWaalsContact O-N 3.07Å
326	K	38.2	Very low	72.7	Confident	186 Å²	186	47.2 Å²	47.2	81%	0.809	29%	0.289	S	S	*	.	S	Bend	trans	-90.3	110.9	172.7	-79.2	-175.4	176.2	179	0	110.4
327	G	41.8	Very low	72.9	Confident	78 Å²	78	47.2 Å²	47.2	80%	0.804	29%	0.289	S	S	*	.	S	Bend	trans	86.3	17	169.6	0	0	0	0	0	116.9	K329	G327-K329 PolarHBondContact O-N 3.07Å
328	G	43.1	Very low	73	Confident	73 Å²	73	47.1 Å²	47.1	75%	0.753	29%	0.288	S	S	*	.	S	Bend	trans	78.2	11.8	168.4	0	0	0	0	0	116.6
329	K	51.9	Low	73	Confident	62 Å²	62	42.1 Å²	42.1	27%	0.27	27%	0.272	S	S	.	.			trans	-98.8	118.8	171.6	-63.6	-178.7	179.6	-179.7	0	109.5	T70 Q72 G327	T70-K329 PolarHBondContact OG1-NZ 3.04Å; Q72-K329 VanDerWaalsContact NE2-NZ 3.17Å; G327-K329 PolarHBondContact O-N 3.07Å
330	R	67.3	Low	72.9	Confident	125 Å²	125	41.2 Å²	41.2	47%	0.472	27%	0.271	S	S	.	.			trans	-114.3	142.7	178.4	-171.3	178.4	-177.2	-166.7	-1.1	107.9
331	H	78.6	Confident	72.5	Confident	20 Å²	20	42.7 Å²	42.7	9%	0.093	28%	0.279	C	S	.	.			trans	-132.5	149.6	172.3	60.5	-88	0	0	0	109	E244 L246 V291 Q320	E244-H331 CarbonylContact O-C 3.56Å; L246-H331 HydrophobicContact CB-CB 3.95Å; V291-H331 HydrophobicContact CG2-CB 3.92Å; Q320-H331 PolarHBondContact OE1-NE2 2.93Å
332	D	85.1	Confident	72.3	Confident	9 Å²	9	42 Å²	42	5%	0.048	27%	0.274	C	S	.	.	S	Bend	trans	-90	-30	177.5	-60.8	-41	0	0	0	111.5	E244 S370 C444 L445	E244-D332 HydrophobicContact CB-CB 4.37Å; E244-D332 WeakPolarHBondContact CB-OD2 3.47Å; E244-D332 PolarHBondContact N-OD2 2.87Å; E244-D332 PolarHBondContact O-N 2.83Å; D332-S370 VanDerWaalsContact O-CB 3.26Å; D332-S370 WeakPolarHBondContact O-CB 3.33Å; D332-S370 PolarHBondContact O-OG 2.89Å; D332-C444 VanDerWaalsContact CG-SG 3.51Å; D332-C444 PolarHBondContact OD1-SG 2.79Å; D332-L445 HydrophobicContact CB-CD2 4.22Å
333	H	89.9	Confident	72.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.2	-174.4	-165.7	52.7	0	0	0	112.4	V243 E244 T245 L246 M364 S370 T372 N392	V243-H333 HydrophobicContact CG1-CB 3.86Å; E244-H333 PolarHBondContact O-N 3.32Å; E244-H333 VanDerWaalsContact O-N 3.08Å; T245-H333 CarbonylContact C-O 3.6Å; T245-H333 WeakPolarHBondContact CA-O 3.35Å; L246-H333 PolarHBondContact N-O 2.7Å; H333-M364 HydrophobicContact CB-CE 4.09Å; H333-M364 HydrophobicContact CB-SD 3.79Å; H333-S370 WeakPolarHBondContact CA-OG 3.22Å; H333-S370 PolarHBondContact ND1-OG 2.94Å; H333-T372 WeakPolarHBondContact NE2-CG2 3.04Å; H333-N392 VanDerWaalsContact CE1-CG 3.48Å; H333-N392 PolarHBondContact CE1-ND2 2.89Å
334	A	90.4	Very high	71.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.6	178.8	0	0	0	0	0	112.1	L246 F316 Q320 S370 C371 T372	L246-A334 HydrophobicContact CB-CB 4.4Å; L246-A334 HydrophobicContact CD2-CB 4.41Å; L246-A334 CarbonylContact O-C 3.54Å; L246-A334 WeakPolarHBondContact O-CA 3.45Å; F316-A334 HydrophobicContact CE1-CB 3.95Å; F316-A334 HydrophobicContact CZ-CB 3.92Å; Q320-A334 HydrophobicContact CB-CB 4.05Å; Q320-A334 HydrophobicContact CG-CB 3.91Å; A334-S370 PolarHBondContact N-O 3.07Å; A334-C371 CarbonylContact O-C 3.59Å; A334-C371 VanDerWaalsContact O-CA 3.25Å; A334-C371 WeakPolarHBondContact O-CA 3.38Å; A334-T372 PolarHBondContact O-N 3.3Å
335	V	92.7	Very high	71.8	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.4	-177.5	-179.7	0	0	0	0	109.3	T245 L246 V247 V248 L337 N374 I385	T245-V335 HydrophobicContact CG2-CB 4.44Å; T245-V335 HydrophobicContact CG2-CG2 3.66Å; L246-V335 PolarHBondContact O-N 3.21Å; V247-V335 WeakPolarHBondContact CA-O 3.46Å; V248-V335 PolarHBondContact N-O 2.86Å; V335-L337 HydrophobicContact CG1-CD2 3.72Å; V335-L337 HydrophobicContact CG1-CG 4.46Å; V335-N374 WeakPolarHBondContact CG1-ND2 3.44Å; V335-I385 HydrophobicContact CG1-CD1 4.35Å; V335-I385 HydrophobicContact CG1-CG1 4.19Å; V335-I385 HydrophobicContact CG1-CG2 4.2Å; V335-I385 HydrophobicContact CG2-CG2 4.44Å
336	L	91.8	Very high	72.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131	170.5	-179	65.5	0	0	0	110	V248 I305 F316 T372 I373 N374	V248-L336 HydrophobicContact CB-CD1 4.01Å; V248-L336 HydrophobicContact CG1-CD1 3.88Å; V248-L336 CarbonylContact O-C 3.09Å; V248-L336 WeakPolarHBondContact O-CA 3.35Å; I305-L336 HydrophobicContact CD1-CD1 4.01Å; I305-L336 HydrophobicContact CD1-CD2 3.91Å; I305-L336 HydrophobicContact CG1-CD2 4.11Å; I305-L336 HydrophobicContact CG2-CD2 4.46Å; F316-L336 HydrophobicContact CB-CD2 4.16Å; F316-L336 HydrophobicContact CD1-CB 3.83Å; F316-L336 HydrophobicContact CD2-CB 3.96Å; F316-L336 HydrophobicContact CD2-CD1 4.21Å; F316-L336 HydrophobicContact CD2-CD2 4.01Å; F316-L336 HydrophobicContact CD2-CG 4.29Å; F316-L336 HydrophobicContact CE1-CB 3.68Å; F316-L336 HydrophobicContact CE2-CB 3.81Å; F316-L336 HydrophobicContact CE2-CD1 4.12Å; F316-L336 HydrophobicContact CE2-CG 4.39Å; F316-L336 HydrophobicContact CG-CB 3.97Å; F316-L336 HydrophobicContact CG-CD2 3.99Å; F316-L336 HydrophobicContact CG-CG 4.5Å; F316-L336 HydrophobicContact CZ-CB 3.67Å; L336-T372 PolarHBondContact N-O 3.22Å; L336-I373 HydrophobicContact CB-CG2 4.14Å; L336-I373 HydrophobicContact CD2-CG2 3.85Å; L336-N374 PolarHBondContact O-N 3.24Å; L336-N374 PolarHBondContact O-ND2 3.18Å
337	L	91	Very high	73.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.5	173.8	-51.3	-177.9	0	0	0	108.7	V247 V248 D250 M253 V266 V335 N374 L381 I385	V247-L337 HydrophobicContact CG1-CD1 3.87Å; V247-L337 HydrophobicContact CG1-CG 4.22Å; V248-L337 PolarHBondContact O-N 3.28Å; D250-L337 PolarHBondContact N-O 2.89Å; D250-L337 VanDerWaalsContact N-O 3.07Å; M253-L337 HydrophobicContact CE-CB 4.36Å; M253-L337 HydrophobicContact CG-CB 4.24Å; M253-L337 WeakPolarHBondContact CG-O 3.34Å; V266-L337 HydrophobicContact CB-CD1 4.36Å; V266-L337 HydrophobicContact CG1-CD1 3.8Å; V266-L337 HydrophobicContact CG2-CD1 3.78Å; V335-L337 HydrophobicContact CG1-CD2 3.72Å; V335-L337 HydrophobicContact CG1-CG 4.46Å; L337-N374 HydrophobicContact CD2-CB 4.14Å; L337-L381 HydrophobicContact CD1-CD2 4.34Å; L337-L381 HydrophobicContact CD2-CD1 4.16Å; L337-L381 HydrophobicContact CD2-CD2 4.09Å; L337-L381 HydrophobicContact CD2-CG 4.45Å; L337-I385 HydrophobicContact CD2-CD1 3.74Å; L337-I385 HydrophobicContact CD2-CG1 4.18Å
338	T	88.6	Confident	74.1	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.5	179.8	-176.9	0	0	0	0	112.1	D250 L340 N374 D376	D250-T338 WeakPolarHBondContact OD1-CA 3.44Å; D250-T338 VanDerWaalsContact OD2-CB 3.26Å; D250-T338 WeakPolarHBondContact OD2-CB 3.27Å; D250-T338 PolarHBondContact OD2-OG1 3.39Å; T338-L340 VanDerWaalsContact C-N 3.29Å; T338-L340 HydrophobicContact CG2-CB 4.46Å; T338-L340 WeakPolarHBondContact OG1-CB 3.48Å; T338-L340 PolarHBondContact OG1-N 3.04Å; T338-L340 VanDerWaalsContact OG1-N 3.09Å; T338-N374 PolarHBondContact N-O 3.09Å; T338-D376 WeakPolarHBondContact O-CB 3.35Å; T338-D376 PolarHBondContact O-N 3.39Å
339	G	83.3	Confident	74.8	Confident	28 Å²	28	46.8 Å²	46.8	29%	0.289	23%	0.225	S	C	.	.	S	Bend	trans	-85	2.9	169.1	0	0	0	0	0	114.1	D250	D250-G339 PolarHBondContact OD1-N 2.89Å
340	L	82.4	Confident	75.2	Confident	29 Å²	29	45.5 Å²	45.5	15%	0.152	22%	0.223	C	C	.	.	S	Bend	trans	-82.1	142.7	175.4	-64.2	171.8	0	0	0	111	K252 I305 T338 I342 E375	K252-L340 HydrophobicContact CD-CD2 4.17Å; K252-L340 HydrophobicContact CG-CD2 3.88Å; K252-L340 HydrophobicContact CG-CG 4Å; I305-L340 HydrophobicContact CG2-CD1 3.89Å; T338-L340 VanDerWaalsContact C-N 3.29Å; T338-L340 HydrophobicContact CG2-CB 4.46Å; T338-L340 WeakPolarHBondContact OG1-CB 3.48Å; T338-L340 PolarHBondContact OG1-N 3.04Å; T338-L340 VanDerWaalsContact OG1-N 3.09Å; L340-I342 PolarHBondContact O-N 2.75Å; L340-E375 WeakPolarHBondContact O-CG 3.46Å
341	D	76.6	Confident	74.2	Confident	34 Å²	34	47 Å²	47	18%	0.182	24%	0.241	C	C	.	.			trans	-74	109.9	171.2	177.6	15.6	0	0	0	109.6	H307 P349 C350	H307-D341 PolarHBondContact ND1-O 3.12Å; D341-P349 HydrophobicContact CB-CB 4.4Å; D341-P349 WeakPolarHBondContact OD2-CA 3.19Å; D341-P349 WeakPolarHBondContact OD2-CB 3.35Å; D341-C350 PolarHBondContact OD2-N 2.98Å
342	I	75.8	Confident	72.5	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.276	C	S	.	.			trans	-98.5	136.4	-172.3	28	168.1	0	0	0	112.2	L340 I373 E375	L340-I342 PolarHBondContact O-N 2.75Å; I342-I373 HydrophobicContact CD1-CD1 4.32Å; I342-I373 HydrophobicContact CD1-CG1 4.4Å; I342-E375 HydrophobicContact CD1-CB 3.93Å; I342-E375 HydrophobicContact CG1-CB 3.72Å; I342-E375 HydrophobicContact CG1-CG 4.45Å; I342-E375 PolarHBondContact N-OE2 3.46Å
343	C	70.1	Confident	70.3	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.014	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-128.1	148	-171.3	-62.7	0	0	0	0	111.9	H307 A309 E348 C350	H307-C343 WeakPolarHBondContact O-CA 3.08Å; H307-C343 WeakPolarHBondContact O-CB 3.27Å; H307-C343 PolarHBondContact O-N 2.95Å; A309-C343 WeakPolarHBondContact CB-O 3.26Å; A309-C343 PolarHBondContact N-O 3.03Å; C343-E348 PolarHBondContact SG-O 3.03Å; C343-C350 HydrophobicContact CB-CB 4.38Å; C343-C350 WeakPolarHBondContact CB-SG 2.98Å; C343-C350 WeakPolarHBondContact SG-CB 3.28Å; C343-C350 CovalentContact SG-SG 2.02Å; C343-C350 PolarHBondContact SG-SG 2.79Å
344	S	61.3	Low	68.2	Low	31 Å²	31	62.1 Å²	62.1	22%	0.217	33%	0.329	C	S	.	.	S	Bend	trans	-70.7	-34.6	-174.4	-164.6	0	0	0	0	114.3	H308	H308-S344 PolarHBondContact CE1-O 3.11Å
345	W	57.8	Low	66.4	Low	208 Å²	208	65 Å²	65	79%	0.788	34%	0.344	S	S	*	.	S	Bend	trans	-136.8	0.9	-163.8	-57	106.7	0	0	0	114.7
346	K	58.2	Low	65	Low	131 Å²	131	67.3 Å²	67.3	57%	0.57	35%	0.354	S	S	*	.			trans	-139.5	148.1	-175.3	-69.7	-170.2	176.7	-171.6	0	111	E348	K346-E348 VanDerWaalsContact C-N 3.28Å; K346-E348 PolarHBondContact O-N 3.17Å
347	N	61.3	Low	63.9	Low	94 Å²	94	67.5 Å²	67.5	50%	0.503	36%	0.357	S	S	.	.	S	Bend	trans	-96.4	47.8	172.3	-169.1	35.2	0	0	0	110.8	H307	H307-N347 PolarHBondContact N-OD1 3.29Å
348	E	58.8	Low	63.4	Low	122 Å²	122	70.5 Å²	70.5	57%	0.57	37%	0.37	S	S	*	.	S	Bend	trans	-142.1	147.5	178.8	-70.2	179.2	165.3	0	0	108.1	C343 K346	C343-E348 PolarHBondContact SG-O 3.03Å; K346-E348 VanDerWaalsContact C-N 3.28Å; K346-E348 PolarHBondContact O-N 3.17Å
349	P	57.9	Low	63.2	Low	80 Å²	80	70.9 Å²	70.9	52%	0.519	37%	0.374	S	S	.	.			trans	-62.2	142	178.6	22.4	-29.6	0	0	0	112	D341	D341-P349 HydrophobicContact CB-CB 4.4Å; D341-P349 WeakPolarHBondContact OD2-CA 3.19Å; D341-P349 WeakPolarHBondContact OD2-CB 3.35Å
350	C	60	Low	63.1	Low	34 Å²	34	70.7 Å²	70.7	23%	0.23	37%	0.367	C	S	.	.			trans	-108.7	90.2	-171.4	-67.5	0	0	0	0	111.2	D341 C343 T352	D341-C350 PolarHBondContact OD2-N 2.98Å; C343-C350 HydrophobicContact CB-CB 4.38Å; C343-C350 WeakPolarHBondContact CB-SG 2.98Å; C343-C350 WeakPolarHBondContact SG-CB 3.28Å; C343-C350 CovalentContact SG-SG 2.02Å; C343-C350 PolarHBondContact SG-SG 2.79Å; C350-T352 PolarHBondContact O-N 2.8Å
351	D	47.1	Very low	62.9	Low	158 Å²	158	73.4 Å²	73.4	85%	0.845	38%	0.381	S	S	*	.	S	Bend	trans	-60.6	-7.5	-178.7	-76.3	-36.2	0	0	0	116
352	T	41.9	Very low	63	Low	134 Å²	134	73.7 Å²	73.7	82%	0.822	39%	0.386	S	S	*	.	S	Bend	trans	-142.1	-7.5	-168.8	38.7	0	0	0	0	118.1	C350	C350-T352 PolarHBondContact O-N 2.8Å
353	L	39.2	Very low	63.3	Low	148 Å²	148	73.6 Å²	73.6	78%	0.775	39%	0.385	S	S	*	.			trans	-144.7	88.8	178.5	-100.2	156.2	0	0	0	108.7	L355	L353-L355 PolarHBondContact O-N 2.74Å
354	V	46.2	Very low	63.9	Low	66 Å²	66	73.6 Å²	73.6	40%	0.4	39%	0.385	S	S	.	.			trans	-81.2	116.7	-176	-172.5	0	0	0	0	109	E356	V354-E356 HydrophobicContact CB-CG 4.39Å; V354-E356 HydrophobicContact CG1-CG 3.63Å
355	L	53.5	Low	64.9	Low	59 Å²	59	73.6 Å²	73.6	31%	0.309	39%	0.385	S	S	.	.			trans	-85.3	101.6	157.8	-82.3	-174.4	0	0	0	106.9	L353 G357	L353-L355 PolarHBondContact O-N 2.74Å; L355-G357 PolarHBondContact O-N 2.93Å
356	E	63.3	Low	66.1	Low	50 Å²	50	65.3 Å²	65.3	23%	0.234	36%	0.359	C	S	.	.			trans	-69.9	-20.2	-176.7	-61.4	-174.2	171.9	0	0	112.2	V354 E375 T377 T384 L416	V354-E356 HydrophobicContact CB-CG 4.39Å; V354-E356 HydrophobicContact CG1-CG 3.63Å; E356-E375 WeakPolarHBondContact O-CB 3.43Å; E356-E375 PolarHBondContact O-N 3.33Å; E356-T377 HydrophobicContact CG-CG2 4.22Å; E356-T384 HydrophobicContact CB-CG2 3.75Å; E356-T384 WeakPolarHBondContact O-CG2 3.26Å; E356-T384 PolarHBondContact OE2-OG1 2.87Å; E356-L416 WeakPolarHBondContact OE2-CD1 3.23Å
357	G	68.6	Low	67	Low	6 Å²	6	64.1 Å²	64.1	6%	0.062	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	168.6	178.2	0	0	0	0	0	113.7	L355 I373 E388	L355-G357 PolarHBondContact O-N 2.93Å; G357-I373 VanDerWaalsContact CA-O 3.28Å; G357-I373 WeakPolarHBondContact CA-O 3.45Å; G357-E388 VanDerWaalsContact C-CD 3.42Å
358	F	80.1	Confident	67.7	Low	63 Å²	63	65.9 Å²	65.9	28%	0.276	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.9	175.1	-162.7	-112.6	0	0	0	112.7	A309 D310 L313 I373 E388	A309-F358 HydrophobicContact CB-CB 4.13Å; A309-F358 HydrophobicContact CB-CD1 4.48Å; A309-F358 HydrophobicContact CB-CG 4.26Å; D310-F358 WeakPolarHBondContact OD1-CE1 3.43Å; D310-F358 WeakPolarHBondContact OD1-CZ 3.29Å; L313-F358 HydrophobicContact CB-CD1 4.11Å; L313-F358 HydrophobicContact CD2-CD1 3.29Å; L313-F358 HydrophobicContact CD2-CE1 3.62Å; L313-F358 HydrophobicContact CD2-CG 4.35Å; L313-F358 HydrophobicContact CG-CD1 4.28Å; F358-I373 HydrophobicContact CB-CD1 4.08Å; F358-I373 HydrophobicContact CB-CG1 3.83Å; F358-I373 PolarHBondContact N-O 2.83Å; F358-I373 PolarHBondContact O-N 3.08Å; F358-I373 VanDerWaalsContact O-N 3.09Å; F358-E388 VanDerWaalsContact C-OE2 3.23Å; F358-E388 WeakPolarHBondContact CA-OE2 3.38Å; F358-E388 PolarHBondContact N-OE2 3Å
359	A	84.9	Confident	68.9	Low	10 Å²	10	65.9 Å²	65.9	8%	0.083	35%	0.349	C	S	.	.			trans	-152	149.8	-174.9	0	0	0	0	0	114.4	T372 E388 H391	A359-T372 HydrophobicContact CB-CG2 3.9Å; A359-E388 HydrophobicContact CB-CB 3.94Å; A359-E388 WeakPolarHBondContact CB-O 3.45Å; A359-E388 VanDerWaalsContact CB-OE2 3.25Å; A359-E388 WeakPolarHBondContact CB-OE2 3.45Å; A359-E388 PolarHBondContact N-OE2 3.31Å; A359-E388 VanDerWaalsContact N-OE2 3.14Å; A359-H391 HydrophobicContact CB-CB 4Å
360	P	80	Confident	70.3	Confident	23 Å²	23	62.2 Å²	62.2	15%	0.149	33%	0.325	C	S	.	.			trans	-71	139.1	168.8	-15.9	32.5	0	0	0	111.8	L313 R369 C371 H391	L313-P360 HydrophobicContact CD2-CG 4.02Å; P360-R369 HydrophobicContact CB-CB 4.3Å; P360-R369 HydrophobicContact CG-CB 4.45Å; P360-R369 WeakPolarHBondContact CG-O 3.42Å; P360-C371 WeakPolarHBondContact CD-O 3.5Å; P360-H391 CarbonylContact O-C 3.58Å
361	I	78.3	Confident	71.7	Confident	86 Å²	86	60.6 Å²	60.6	44%	0.441	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	130.7	173	-57	173.1	0	0	0	110.1	G363 R369 H391 I396	I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 2.91Å; I361-R369 PolarHBondContact O-NH2 2.7Å; I361-H391 CarbonylContact C-O 3.57Å; I361-H391 VanDerWaalsContact CA-O 3.29Å; I361-H391 WeakPolarHBondContact CA-O 3.12Å; I361-I396 HydrophobicContact CD1-CG2 4.45Å
362	S	79.2	Confident	73.8	Confident	41 Å²	41	53 Å²	53	29%	0.287	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	33.8	179.3	-163.7	0	0	0	0	113.8	H391 N392 Q441	S362-H391 PolarHBondContact N-O 3.42Å; S362-N392 CarbonylContact C-O 3.56Å; S362-N392 VanDerWaalsContact C-O 3.3Å; S362-N392 WeakPolarHBondContact CA-O 3.45Å; S362-Q441 PolarHBondContact O-NE2 2.85Å
363	G	80.6	Confident	76.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.			trans	-82.1	-16.6	179.5	0	0	0	0	0	115.7	I361 S366 R369 S370 N392	I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 2.91Å; G363-S366 WeakPolarHBondContact O-CB 3.49Å; G363-S366 PolarHBondContact O-N 3.29Å; G363-R369 WeakPolarHBondContact CA-O 3.48Å; G363-R369 CarbonylContact O-C 3.57Å; G363-S370 WeakPolarHBondContact O-CA 3.35Å; G363-S370 WeakPolarHBondContact O-CB 3.2Å; G363-S370 PolarHBondContact O-N 3.11Å; G363-S370 VanDerWaalsContact O-N 3.15Å; G363-N392 WeakPolarHBondContact CA-OD1 3.34Å; G363-N392 PolarHBondContact N-O 2.05Å; G363-N392 VanDerWaalsContact N-O 3.11Å
364	M	84.4	Confident	78.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	139	-173.5	-173.3	63.1	66.1	0	0	112	V243 H333 S366 N392 F393 F436 Q441 L445	V243-M364 HydrophobicContact CG1-CE 4.23Å; V243-M364 HydrophobicContact CG1-SD 4.03Å; H333-M364 HydrophobicContact CB-CE 4.09Å; H333-M364 HydrophobicContact CB-SD 3.79Å; M364-S366 PolarHBondContact O-N 2.8Å; M364-S366 VanDerWaalsContact O-N 3.12Å; M364-N392 HydrophobicContact CB-CB 4.18Å; M364-N392 VanDerWaalsContact CB-O 3.25Å; M364-N392 WeakPolarHBondContact CB-O 3.4Å; M364-N392 HydrophobicContact CE-CB 3.95Å; M364-N392 PolarHBondContact N-O 2.86Å; M364-F393 HydrophobicContact CB-CD1 4.37Å; M364-F393 HydrophobicContact CE-CD2 4.29Å; M364-F393 HydrophobicContact CE-CE1 4.07Å; M364-F393 HydrophobicContact CE-CE2 3.81Å; M364-F393 HydrophobicContact CE-CZ 3.69Å; M364-F393 HydrophobicContact CG-CD1 4.14Å; M364-F393 HydrophobicContact CG-CE1 3.84Å; M364-F393 HydrophobicContact CG-CZ 4.39Å; M364-F393 HydrophobicContact SD-CZ 4.5Å; M364-F436 HydrophobicContact CB-CE1 3.96Å; M364-F436 HydrophobicContact CB-CE2 4.48Å; M364-F436 HydrophobicContact CB-CZ 3.65Å; M364-F436 HydrophobicContact CG-CE1 4.15Å; M364-F436 HydrophobicContact CG-CZ 4.23Å; M364-Q441 WeakPolarHBondContact O-CG 3.37Å; M364-Q441 PolarHBondContact O-NE2 3.03Å; M364-L445 HydrophobicContact CG-CD1 4.35Å; M364-L445 HydrophobicContact CG-CD2 4.32Å; M364-L445 HydrophobicContact SD-CD2 4.4Å
365	C	82.4	Confident	80.5	Confident	32 Å²	32	37.6 Å²	37.6	22%	0.216	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	-0.8	-172.7	-53.7	0	0	0	0	116.3	S370 Q441 C444	C365-S370 PolarHBondContact N-OG 2.88Å; C365-Q441 HydrophobicContact CB-CG 4.19Å; C365-Q441 WeakPolarHBondContact CB-O 2.9Å; C365-Q441 PolarHBondContact SG-O 3.45Å; C365-C444 VanDerWaalsContact CA-SG 3.53Å; C365-C444 HydrophobicContact CB-CB 3.67Å; C365-C444 WeakPolarHBondContact CB-SG 3.2Å; C365-C444 WeakPolarHBondContact SG-CB 3.09Å; C365-C444 CovalentContact SG-SG 2.01Å; C365-C444 PolarHBondContact SG-SG 2.77Å
366	S	81.9	Confident	82	Confident	34 Å²	34	35 Å²	35	24%	0.238	17%	0.17	C	C	.	.			trans	-83.4	132.7	174.4	-179.3	0	0	0	0	110.7	G363 M364 Y368 R369 S370	G363-S366 WeakPolarHBondContact O-CB 3.49Å; G363-S366 PolarHBondContact O-N 3.29Å; M364-S366 PolarHBondContact O-N 2.8Å; M364-S366 VanDerWaalsContact O-N 3.12Å; S366-Y368 PolarHBondContact O-N 2.95Å; S366-R369 PolarHBondContact O-N 2.92Å; S366-S370 WeakPolarHBondContact O-CB 3.22Å; S366-S370 PolarHBondContact O-N 2.88Å
367	K	76.9	Confident	82.6	Confident	106 Å²	106	33 Å²	33	46%	0.461	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.9	179	-175.6	179.5	177.1	-162.1	0	113.2	Q320 S321	Q320-K367 PolarHBondContact NE2-O 2.99Å; S321-K367 VanDerWaalsContact CB-O 3.32Å; S321-K367 WeakPolarHBondContact CB-O 3.45Å
368	Y	77.4	Confident	83.1	Confident	130 Å²	130	32.8 Å²	32.8	51%	0.51	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-4	-173.9	-56.6	-70	0	0	0	114	C317 S321 S366	C317-Y368 WeakPolarHBondContact CB-O 3.4Å; S321-Y368 WeakPolarHBondContact OG-CD1 3.4Å; S321-Y368 WeakPolarHBondContact OG-CE1 3.06Å; S366-Y368 PolarHBondContact O-N 2.95Å
369	R	82.4	Confident	83.1	Confident	122 Å²	122	30.4 Å²	30.4	46%	0.46	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-6.5	-174.9	-58.4	-179.1	63.6	-158.6	-8.6	113.9	P360 I361 G363 S366 C371 N392	P360-R369 HydrophobicContact CB-CB 4.3Å; P360-R369 HydrophobicContact CG-CB 4.45Å; P360-R369 WeakPolarHBondContact CG-O 3.42Å; I361-R369 PolarHBondContact O-NH2 2.7Å; G363-R369 WeakPolarHBondContact CA-O 3.48Å; G363-R369 CarbonylContact O-C 3.57Å; S366-R369 PolarHBondContact O-N 2.92Å; R369-C371 VanDerWaalsContact C-N 3.27Å; R369-C371 PolarHBondContact O-N 3.48Å; R369-C371 PolarHBondContact O-SG 2.76Å; R369-N392 PolarHBondContact O-OD1 2.94Å; R369-N392 VanDerWaalsContact O-OD1 3.09Å
370	S	88.9	Confident	82.6	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.021	15%	0.148	C	C	.	.			trans	-83.7	69.9	179	-162.2	0	0	0	0	111.7	D332 H333 A334 G363 C365 S366	D332-S370 VanDerWaalsContact O-CB 3.26Å; D332-S370 WeakPolarHBondContact O-CB 3.33Å; D332-S370 PolarHBondContact O-OG 2.89Å; H333-S370 WeakPolarHBondContact CA-OG 3.22Å; H333-S370 PolarHBondContact ND1-OG 2.94Å; A334-S370 PolarHBondContact N-O 3.07Å; G363-S370 WeakPolarHBondContact O-CA 3.35Å; G363-S370 WeakPolarHBondContact O-CB 3.2Å; G363-S370 PolarHBondContact O-N 3.11Å; G363-S370 VanDerWaalsContact O-N 3.15Å; C365-S370 PolarHBondContact N-OG 2.88Å; S366-S370 WeakPolarHBondContact O-CB 3.22Å; S366-S370 PolarHBondContact O-N 2.88Å
371	C	88.8	Confident	82.7	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.5	-170.7	39.7	0	0	0	0	110.8	L313 F316 C317 A334 P360 R369 N392	L313-C371 HydrophobicContact CD1-CB 4.4Å; F316-C371 HydrophobicContact CD1-CB 4Å; F316-C371 HydrophobicContact CE1-CB 4.14Å; C317-C371 HydrophobicContact CB-CB 3.99Å; C317-C371 WeakPolarHBondContact CB-SG 3.15Å; C317-C371 WeakPolarHBondContact SG-CB 3.23Å; C317-C371 CovalentContact SG-SG 2Å; C317-C371 PolarHBondContact SG-SG 3.47Å; A334-C371 CarbonylContact O-C 3.59Å; A334-C371 VanDerWaalsContact O-CA 3.25Å; A334-C371 WeakPolarHBondContact O-CA 3.38Å; P360-C371 WeakPolarHBondContact CD-O 3.5Å; R369-C371 VanDerWaalsContact C-N 3.27Å; R369-C371 PolarHBondContact O-N 3.48Å; R369-C371 PolarHBondContact O-SG 2.76Å; C371-N392 PolarHBondContact O-ND2 2.94Å
372	T	91.1	Very high	82.9	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.4	172	62.1	0	0	0	0	110	H333 A334 L336 A359 N374 E388 N392	H333-T372 WeakPolarHBondContact NE2-CG2 3.04Å; A334-T372 PolarHBondContact O-N 3.3Å; L336-T372 PolarHBondContact N-O 3.22Å; A359-T372 HydrophobicContact CB-CG2 3.9Å; T372-N374 PolarHBondContact OG1-ND2 3.46Å; T372-N374 VanDerWaalsContact OG1-ND2 3.09Å; T372-E388 HydrophobicContact CG2-CB 3.66Å; T372-N392 WeakPolarHBondContact CG2-ND2 3.28Å
373	I	90.5	Very high	83	Confident	2 Å²	2	24 Å²	24	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.5	166.5	64	169.8	0	0	0	109.1	A309 L313 F316 L336 I342 G357 F358	A309-I373 HydrophobicContact CB-CD1 4.07Å; A309-I373 WeakPolarHBondContact O-CD1 3.05Å; L313-I373 HydrophobicContact CB-CD1 4.02Å; L313-I373 HydrophobicContact CB-CG1 4.28Å; L313-I373 HydrophobicContact CB-CG2 4.2Å; L313-I373 HydrophobicContact CD1-CG1 4.41Å; L313-I373 HydrophobicContact CD1-CG2 3.92Å; F316-I373 HydrophobicContact CB-CG2 4.43Å; F316-I373 HydrophobicContact CD1-CG2 4.35Å; L336-I373 HydrophobicContact CB-CG2 4.14Å; L336-I373 HydrophobicContact CD2-CG2 3.85Å; I342-I373 HydrophobicContact CD1-CD1 4.32Å; I342-I373 HydrophobicContact CD1-CG1 4.4Å; G357-I373 VanDerWaalsContact CA-O 3.28Å; G357-I373 WeakPolarHBondContact CA-O 3.45Å; F358-I373 HydrophobicContact CB-CD1 4.08Å; F358-I373 HydrophobicContact CB-CG1 3.83Å; F358-I373 PolarHBondContact N-O 2.83Å; F358-I373 PolarHBondContact O-N 3.08Å; F358-I373 VanDerWaalsContact O-N 3.09Å
374	N	89.3	Confident	83.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.9	-174.8	-52.2	-96.9	0	0	0	110.3	V335 L336 L337 T338 T372 L381 T384 I385 E388	V335-N374 WeakPolarHBondContact CG1-ND2 3.44Å; L336-N374 PolarHBondContact O-N 3.24Å; L336-N374 PolarHBondContact O-ND2 3.18Å; L337-N374 HydrophobicContact CD2-CB 4.14Å; T338-N374 PolarHBondContact N-O 3.09Å; T372-N374 PolarHBondContact OG1-ND2 3.46Å; T372-N374 VanDerWaalsContact OG1-ND2 3.09Å; N374-L381 HydrophobicContact CB-CD1 3.56Å; N374-T384 HydrophobicContact CB-CG2 4.43Å; N374-I385 HydrophobicContact CB-CG1 4.12Å; N374-I385 WeakPolarHBondContact OD1-CA 3.49Å; N374-I385 PolarHBondContact OD1-N 2.87Å; N374-E388 WeakPolarHBondContact OD1-CG 3.5Å
375	E	86.9	Confident	83.3	Confident	22 Å²	22	24.1 Å²	24.1	10%	0.103	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.6	174.5	-178.4	-179.7	151.8	0	0	110.9	L340 I342 E356 T377 L381	L340-E375 WeakPolarHBondContact O-CG 3.46Å; I342-E375 HydrophobicContact CD1-CB 3.93Å; I342-E375 HydrophobicContact CG1-CB 3.72Å; I342-E375 HydrophobicContact CG1-CG 4.45Å; I342-E375 PolarHBondContact N-OE2 3.46Å; E356-E375 WeakPolarHBondContact O-CB 3.43Å; E356-E375 PolarHBondContact O-N 3.33Å; E375-T377 PolarHBondContact O-N 2.83Å; E375-L381 WeakPolarHBondContact O-CD1 3.45Å
376	D	85.3	Confident	83.6	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.016	10%	0.101	C	C	.	.			trans	-74.3	99.3	176.5	178.7	50.7	0	0	0	113.8	M253 K256 H257 Y265 T338 G378	M253-D376 HydrophobicContact CE-CB 3.95Å; M253-D376 HydrophobicContact SD-CB 3.27Å; M253-D376 WeakPolarHBondContact SD-CB 3.25Å; K256-D376 WeakPolarHBondContact CD-OD2 3.47Å; K256-D376 VanDerWaalsContact CE-OD2 3.3Å; K256-D376 WeakPolarHBondContact CE-OD2 3.08Å; K256-D376 PolarHBondContact NZ-O 3.11Å; K256-D376 IonicContact NZ-OD2 3.72Å; K256-D376 PolarHBondContact NZ-OD2 3.41Å; H257-D376 IonicContact CD2-OD2 2.83Å; H257-D376 IonicContact CE1-OD2 3.8Å; H257-D376 IonicContact NE2-OD1 3.89Å; H257-D376 IonicContact NE2-OD2 2.81Å; H257-D376 PolarHBondContact NE2-OD2 2.9Å; Y265-D376 PolarHBondContact OH-OD1 3.03Å; T338-D376 WeakPolarHBondContact O-CB 3.35Å; T338-D376 PolarHBondContact O-N 3.39Å; D376-G378 PolarHBondContact OD1-N 2.03Å
377	T	76.4	Confident	83.8	Confident	10 Å²	10	21.5 Å²	21.5	6%	0.061	9%	0.092	C	C	.	.			trans	-97.5	12.8	173.9	60.6	0	0	0	0	113.6	E356 E375 L381	E356-T377 HydrophobicContact CG-CG2 4.22Å; E375-T377 PolarHBondContact O-N 2.83Å; T377-L381 PolarHBondContact OG1-N 3.49Å
378	G	79.9	Confident	84.4	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.01	7%	0.073	C	C	.	.	S	Bend	trans	88	-151.1	-170.6	0	0	0	0	0	111.5	Y265 D376 G380 L381	Y265-G378 WeakPolarHBondContact OH-CA 3.16Å; Y265-G378 PolarHBondContact OH-O 3.28Å; D376-G378 PolarHBondContact OD1-N 2.03Å; G378-G380 PolarHBondContact O-N 3.12Å; G378-L381 WeakPolarHBondContact O-CB 3.3Å; G378-L381 PolarHBondContact O-N 2.92Å
379	L	78.3	Confident	85	Confident	13 Å²	13	11.2 Å²	11.2	7%	0.068	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.8	-179.1	-63.1	176.9	0	0	0	114.1	Y265 V269 M272 L381 P462 Y466 Q471 W474 A512	Y265-L379 HydrophobicContact CE2-CD2 4.15Å; V269-L379 HydrophobicContact CG2-CD2 4.43Å; M272-L379 HydrophobicContact CE-CB 4.44Å; M272-L379 WeakPolarHBondContact CE-O 3.18Å; M272-L379 HydrophobicContact SD-CB 4.38Å; M272-L379 HydrophobicContact SD-CD2 4.29Å; L379-L381 PolarHBondContact O-N 3.33Å; L379-P462 HydrophobicContact CD1-CB 4.33Å; L379-Y466 HydrophobicContact CD1-CD2 4.28Å; L379-Y466 HydrophobicContact CD2-CD2 4.17Å; L379-Y466 HydrophobicContact CD2-CE2 4.42Å; L379-Q471 HydrophobicContact CD1-CG 3.88Å; L379-W474 HydrophobicContact CD1-CZ3 4.32Å; L379-W474 HydrophobicContact CD2-CZ3 4.12Å; L379-W474 HydrophobicContact CG-CE3 4.34Å; L379-W474 HydrophobicContact CG-CZ3 3.95Å; L379-A512 HydrophobicContact CD1-CB 3.43Å; L379-A512 VanDerWaalsContact CD1-CB 3.43Å
380	G	74.7	Confident	85.2	Confident	4 Å²	4	5.4 Å²	5.4	4%	0.041	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.9	171.1	0	0	0	0	0	114.4	G378 A382 F383	G378-G380 PolarHBondContact O-N 3.12Å; G380-A382 PolarHBondContact O-N 3.38Å; G380-F383 WeakPolarHBondContact O-CD2 3.34Å; G380-F383 PolarHBondContact O-N 3.36Å
381	L	82.4	Confident	85	Confident	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-51.6	-29.6	176.2	174.7	60.7	0	0	0	113.1	Y265 V269 L337 N374 E375 T377 G378 L379 F383 T384 I385	Y265-L381 HydrophobicContact CE1-CD2 4.37Å; V269-L381 HydrophobicContact CG1-CB 4.2Å; V269-L381 HydrophobicContact CG1-CD2 4.05Å; V269-L381 HydrophobicContact CG1-CG 3.91Å; V269-L381 HydrophobicContact CG2-CD2 4.45Å; L337-L381 HydrophobicContact CD1-CD2 4.34Å; L337-L381 HydrophobicContact CD2-CD1 4.16Å; L337-L381 HydrophobicContact CD2-CD2 4.09Å; L337-L381 HydrophobicContact CD2-CG 4.45Å; N374-L381 HydrophobicContact CB-CD1 3.56Å; E375-L381 WeakPolarHBondContact O-CD1 3.45Å; T377-L381 PolarHBondContact OG1-N 3.49Å; G378-L381 WeakPolarHBondContact O-CB 3.3Å; G378-L381 PolarHBondContact O-N 2.92Å; L379-L381 PolarHBondContact O-N 3.33Å; L381-F383 VanDerWaalsContact C-N 3.28Å; L381-F383 PolarHBondContact O-N 3.42Å; L381-T384 WeakPolarHBondContact O-CB 3.48Å; L381-T384 PolarHBondContact O-N 2.03Å; L381-I385 HydrophobicContact CD1-CD1 4.06Å; L381-I385 HydrophobicContact CD1-CG1 4Å; L381-I385 HydrophobicContact CD2-CD1 4.42Å; L381-I385 HydrophobicContact CG-CD1 3.79Å; L381-I385 HydrophobicContact CG-CG1 4.23Å; L381-I385 VanDerWaalsContact O-CG1 3.29Å; L381-I385 WeakPolarHBondContact O-CG1 3.2Å; L381-I385 PolarHBondContact O-N 2.99Å
382	A	83	Confident	85	Confident	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.6	-35.5	177.3	0	0	0	0	0	113.1	V269 M272 V273 G380 A386	V269-A382 HydrophobicContact CG1-CB 4.07Å; M272-A382 HydrophobicContact CB-CB 3.52Å; M272-A382 HydrophobicContact CE-CB 3.99Å; M272-A382 HydrophobicContact SD-CB 4.37Å; V273-A382 HydrophobicContact CG2-CB 3.97Å; V273-A382 WeakPolarHBondContact CG2-O 3.31Å; G380-A382 PolarHBondContact O-N 3.38Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.33Å; A382-A386 VanDerWaalsContact O-N 3.1Å
383	F	81.1	Confident	84.8	Confident	22 Å²	22	6.1 Å²	6.1	10%	0.096	3%	0.032	C	C	.	.	H	α-helix	trans	-74.3	-39.8	178.6	-62	-80	0	0	0	111.1	M272 L276 G380 L381 A386 H387 L416 F423 M509	M272-F383 HydrophobicContact CE-CE2 4.4Å; L276-F383 HydrophobicContact CD1-CD1 3.68Å; L276-F383 HydrophobicContact CD1-CE1 3.91Å; L276-F383 HydrophobicContact CD1-CG 4.32Å; L276-F383 HydrophobicContact CD2-CD1 4.14Å; L276-F383 HydrophobicContact CD2-CE1 3.7Å; L276-F383 HydrophobicContact CG-CE1 4.42Å; G380-F383 WeakPolarHBondContact O-CD2 3.34Å; G380-F383 PolarHBondContact O-N 3.36Å; L381-F383 VanDerWaalsContact C-N 3.28Å; L381-F383 PolarHBondContact O-N 3.42Å; F383-A386 PolarHBondContact O-N 2.96Å; F383-H387 WeakPolarHBondContact O-CB 3.22Å; F383-H387 PolarHBondContact O-N 3.4Å; F383-L416 HydrophobicContact CB-CD2 4.43Å; F383-F423 HydrophobicContact CD1-CB 4.01Å; F383-F423 AromaticContact CD1-CD1 3.98Å; F383-F423 HydrophobicContact CD1-CD1 3.98Å; F383-F423 AromaticContact CD1-CD2 3.69Å; F383-F423 HydrophobicContact CD1-CD2 3.69Å; F383-F423 HydrophobicContact CD1-CE1 4.34Å; F383-F423 HydrophobicContact CD1-CE2 4.06Å; F383-F423 AromaticContact CD1-CG 3.62Å; F383-F423 HydrophobicContact CD1-CG 3.62Å; F383-F423 HydrophobicContact CD1-CZ 4.37Å; F383-F423 HydrophobicContact CD2-CE2 4.43Å; F383-F423 HydrophobicContact CE1-CB 3.7Å; F383-F423 HydrophobicContact CE1-CD1 4.19Å; F383-F423 AromaticContact CE1-CD2 3.05Å; F383-F423 HydrophobicContact CE1-CD2 3.05Å; F383-F423 AromaticContact CE1-CE2 3.6Å; F383-F423 HydrophobicContact CE1-CE2 3.6Å; F383-F423 AromaticContact CE1-CG 3.38Å; F383-F423 HydrophobicContact CE1-CG 3.38Å; F383-F423 HydrophobicContact CE1-CZ 4.35Å; F383-F423 HydrophobicContact CE2-CD2 4.26Å; F383-F423 AromaticContact CE2-CE2 3.99Å; F383-F423 HydrophobicContact CE2-CE2 3.99Å; F383-F423 HydrophobicContact CG-CD2 4.5Å; F383-F423 HydrophobicContact CG-CE2 4.44Å; F383-F423 AromaticContact CZ-CD2 3.39Å; F383-F423 HydrophobicContact CZ-CD2 3.39Å; F383-F423 AromaticContact CZ-CE2 3.54Å; F383-F423 HydrophobicContact CZ-CE2 3.54Å; F383-F423 HydrophobicContact CZ-CG 4.18Å; F383-F423 HydrophobicContact CZ-CZ 4.45Å; F383-M509 HydrophobicContact CD2-CE 3.36Å; F383-M509 HydrophobicContact CE2-CE 3.67Å; F383-M509 HydrophobicContact CG-CE 4.29Å
384	T	83.9	Confident	84.4	Confident	2 Å²	2	6.9 Å²	6.9	1%	0.012	4%	0.039	C	C	.	.	H	α-helix	trans	-59	-51.8	173.3	-45.7	0	0	0	0	110.9	E356 N374 L381 A386 H387 E388	E356-T384 HydrophobicContact CB-CG2 3.75Å; E356-T384 WeakPolarHBondContact O-CG2 3.26Å; E356-T384 PolarHBondContact OE2-OG1 2.87Å; N374-T384 HydrophobicContact CB-CG2 4.43Å; L381-T384 WeakPolarHBondContact O-CB 3.48Å; L381-T384 PolarHBondContact O-N 2.03Å; T384-A386 PolarHBondContact O-N 2.83Å; T384-H387 WeakPolarHBondContact O-CB 3.44Å; T384-H387 PolarHBondContact O-N 2.01Å; T384-E388 HydrophobicContact CG2-CG 4.45Å; T384-E388 WeakPolarHBondContact O-CG 3.38Å; T384-E388 PolarHBondContact O-N 3.03Å
385	I	88.1	Confident	84.3	Confident	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-57.5	-41.3	176.3	-65.5	164.2	0	0	0	110.8	V269 M270 V273 V335 L337 N374 L381 S389	V269-I385 HydrophobicContact CG1-CD1 3.66Å; M270-I385 HydrophobicContact SD-CD1 4.22Å; V273-I385 HydrophobicContact CG1-CG2 3.97Å; V273-I385 HydrophobicContact CG2-CB 3.84Å; V273-I385 HydrophobicContact CG2-CD1 4.15Å; V273-I385 HydrophobicContact CG2-CG2 3.82Å; V335-I385 HydrophobicContact CG1-CD1 4.35Å; V335-I385 HydrophobicContact CG1-CG1 4.19Å; V335-I385 HydrophobicContact CG1-CG2 4.2Å; V335-I385 HydrophobicContact CG2-CG2 4.44Å; L337-I385 HydrophobicContact CD2-CD1 3.74Å; L337-I385 HydrophobicContact CD2-CG1 4.18Å; N374-I385 HydrophobicContact CB-CG1 4.12Å; N374-I385 WeakPolarHBondContact OD1-CA 3.49Å; N374-I385 PolarHBondContact OD1-N 2.87Å; L381-I385 HydrophobicContact CD1-CD1 4.06Å; L381-I385 HydrophobicContact CD1-CG1 4Å; L381-I385 HydrophobicContact CD2-CD1 4.42Å; L381-I385 HydrophobicContact CG-CD1 3.79Å; L381-I385 HydrophobicContact CG-CG1 4.23Å; L381-I385 VanDerWaalsContact O-CG1 3.29Å; L381-I385 WeakPolarHBondContact O-CG1 3.2Å; L381-I385 PolarHBondContact O-N 2.99Å; I385-S389 WeakPolarHBondContact O-CB 3.49Å; I385-S389 PolarHBondContact O-N 2.94Å; I385-S389 PolarHBondContact O-OG 3.14Å
386	A	87.8	Confident	84.1	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.3	-39.1	178.1	0	0	0	0	0	112.9	L276 F277 A382 F383 T384 G390 I411 W425	L276-A386 HydrophobicContact CB-CB 4.42Å; L276-A386 HydrophobicContact CD1-CB 3.84Å; F277-A386 HydrophobicContact CE2-CB 3.82Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.33Å; A382-A386 VanDerWaalsContact O-N 3.1Å; F383-A386 PolarHBondContact O-N 2.96Å; T384-A386 PolarHBondContact O-N 2.83Å; A386-G390 PolarHBondContact O-N 2.86Å; A386-I411 HydrophobicContact CB-CG2 4.36Å; A386-W425 HydrophobicContact CB-CZ2 4.5Å
387	H	85.8	Confident	84	Confident	11 Å²	11	10.2 Å²	10.2	5%	0.051	6%	0.056	C	C	.	.	H	α-helix	trans	-61.9	-52.5	174.4	-174.4	108.8	0	0	0	111.4	F383 T384 S389 G390 H391 H397 I411 S413	F383-H387 WeakPolarHBondContact O-CB 3.22Å; F383-H387 PolarHBondContact O-N 3.4Å; T384-H387 WeakPolarHBondContact O-CB 3.44Å; T384-H387 PolarHBondContact O-N 2.01Å; H387-S389 PolarHBondContact O-N 3.44Å; H387-G390 VanDerWaalsContact O-CA 3.29Å; H387-G390 WeakPolarHBondContact O-CA 3.45Å; H387-G390 PolarHBondContact O-N 3.2Å; H387-H391 AromaticContact CD2-CD2 3.78Å; H387-H391 AromaticContact CD2-NE2 3.67Å; H387-H391 AromaticContact NE2-CD2 3.88Å; H387-H391 AromaticContact NE2-NE2 3.26Å; H387-H391 PolarHBondContact NE2-NE2 3.35Å; H387-H391 PolarHBondContact O-N 2.8Å; H387-H391 VanDerWaalsContact O-N 3.07Å; H387-H397 AromaticContact CE1-CD2 3.7Å; H387-H397 AromaticContact CE1-NE2 3.73Å; H387-H397 AromaticContact NE2-CD2 3.61Å; H387-H397 AromaticContact NE2-NE2 3.29Å; H387-H397 PolarHBondContact NE2-NE2 2.84Å; H387-I411 HydrophobicContact CB-CG2 4.32Å; H387-I411 PolarHBondContact ND1-O 3.47Å; H387-S413 PolarHBondContact CE1-O 2.9Å
388	E	89.4	Confident	84.2	Confident	15 Å²	15	9.8 Å²	9.8	7%	0.07	5%	0.053	C	C	.	.	H	α-helix	trans	-66.3	-37.1	-179.2	-63.6	-41	134.4	0	0	112.5	G357 F358 A359 T372 N374 T384 G390 H391 N392	G357-E388 VanDerWaalsContact C-CD 3.42Å; F358-E388 VanDerWaalsContact C-OE2 3.23Å; F358-E388 WeakPolarHBondContact CA-OE2 3.38Å; F358-E388 PolarHBondContact N-OE2 3Å; A359-E388 HydrophobicContact CB-CB 3.94Å; A359-E388 WeakPolarHBondContact CB-O 3.45Å; A359-E388 VanDerWaalsContact CB-OE2 3.25Å; A359-E388 WeakPolarHBondContact CB-OE2 3.45Å; A359-E388 PolarHBondContact N-OE2 3.31Å; A359-E388 VanDerWaalsContact N-OE2 3.14Å; T372-E388 HydrophobicContact CG2-CB 3.66Å; N374-E388 WeakPolarHBondContact OD1-CG 3.5Å; T384-E388 HydrophobicContact CG2-CG 4.45Å; T384-E388 WeakPolarHBondContact O-CG 3.38Å; T384-E388 PolarHBondContact O-N 3.03Å; E388-G390 VanDerWaalsContact C-N 3.27Å; E388-G390 PolarHBondContact O-N 2.9Å; E388-H391 PolarHBondContact O-N 3.35Å; E388-H391 IonicContact OE2-CD2 3.26Å; E388-N392 PolarHBondContact O-N 3.35Å; E388-N392 PolarHBondContact O-ND2 2.76Å; E388-N392 VanDerWaalsContact O-ND2 3.15Å
389	S	91	Very high	83.9	Confident	5 Å²	5	11 Å²	11	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-64.9	-34.8	170.6	-61.8	0	0	0	0	111.1	I385 H387 N392 F393	I385-S389 WeakPolarHBondContact O-CB 3.49Å; I385-S389 PolarHBondContact O-N 2.94Å; I385-S389 PolarHBondContact O-OG 3.14Å; H387-S389 PolarHBondContact O-N 3.44Å; S389-N392 WeakPolarHBondContact O-CB 3.38Å; S389-N392 PolarHBondContact O-N 2.63Å; S389-N392 VanDerWaalsContact O-N 3.16Å; S389-F393 WeakPolarHBondContact O-CD2 3.25Å; S389-F393 PolarHBondContact O-N 2.84Å; S389-F393 VanDerWaalsContact O-N 3.17Å
390	G	87.3	Confident	83.5	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-43.6	172.4	0	0	0	0	0	112.8	A386 H387 E388 N392 F393 G394 M395	A386-G390 PolarHBondContact O-N 2.86Å; H387-G390 VanDerWaalsContact O-CA 3.29Å; H387-G390 WeakPolarHBondContact O-CA 3.45Å; H387-G390 PolarHBondContact O-N 3.2Å; E388-G390 VanDerWaalsContact C-N 3.27Å; E388-G390 PolarHBondContact O-N 2.9Å; G390-N392 VanDerWaalsContact C-N 3.3Å; G390-N392 PolarHBondContact O-N 3.14Å; G390-F393 CarbonylContact O-C 3.6Å; G390-F393 WeakPolarHBondContact O-CA 3.34Å; G390-F393 WeakPolarHBondContact O-CB 3.28Å; G390-F393 PolarHBondContact O-N 3.49Å; G390-F393 VanDerWaalsContact O-N 3.08Å; G390-G394 PolarHBondContact O-N 2.94Å; G390-M395 VanDerWaalsContact O-CB 3.25Å; G390-M395 WeakPolarHBondContact O-CB 3.37Å; G390-M395 VanDerWaalsContact O-CG 3.22Å; G390-M395 WeakPolarHBondContact O-CG 3.45Å; G390-M395 PolarHBondContact O-N 2.81Å; G390-M395 VanDerWaalsContact O-N 3.08Å
391	H	83.8	Confident	82.9	Confident	17 Å²	17	20 Å²	20	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-40.2	172.2	-76.8	-45.3	0	0	0	112.4	A359 P360 I361 S362 H387 E388 F393 G394 M395 H397 M412	A359-H391 HydrophobicContact CB-CB 4Å; P360-H391 CarbonylContact O-C 3.58Å; I361-H391 CarbonylContact C-O 3.57Å; I361-H391 VanDerWaalsContact CA-O 3.29Å; I361-H391 WeakPolarHBondContact CA-O 3.12Å; S362-H391 PolarHBondContact N-O 3.42Å; H387-H391 AromaticContact CD2-CD2 3.78Å; H387-H391 AromaticContact CD2-NE2 3.67Å; H387-H391 AromaticContact NE2-CD2 3.88Å; H387-H391 AromaticContact NE2-NE2 3.26Å; H387-H391 PolarHBondContact NE2-NE2 3.35Å; H387-H391 PolarHBondContact O-N 2.8Å; H387-H391 VanDerWaalsContact O-N 3.07Å; E388-H391 PolarHBondContact O-N 3.35Å; E388-H391 IonicContact OE2-CD2 3.26Å; H391-F393 PolarHBondContact O-N 2.88Å; H391-G394 WeakPolarHBondContact O-CA 3.36Å; H391-G394 PolarHBondContact O-N 2.87Å; H391-M395 PolarHBondContact ND1-O 2.86Å; H391-H397 AromaticContact CE1-CD2 3.69Å; H391-H397 AromaticContact CE1-NE2 3.65Å; H391-H397 AromaticContact NE2-CD2 3.78Å; H391-H397 AromaticContact NE2-NE2 3.35Å; H391-H397 PolarHBondContact NE2-NE2 3.47Å; H391-M412 VanDerWaalsContact CE1-CE 3.5Å; H391-M412 WeakPolarHBondContact CE1-CE 2.9Å
392	N	88.1	Confident	82.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-30.7	174.9	-84.5	-88.7	0	0	0	113.1	H333 S362 G363 M364 R369 C371 T372 E388 S389 G390 G394	H333-N392 VanDerWaalsContact CE1-CG 3.48Å; H333-N392 PolarHBondContact CE1-ND2 2.89Å; S362-N392 CarbonylContact C-O 3.56Å; S362-N392 VanDerWaalsContact C-O 3.3Å; S362-N392 WeakPolarHBondContact CA-O 3.45Å; G363-N392 WeakPolarHBondContact CA-OD1 3.34Å; G363-N392 PolarHBondContact N-O 2.05Å; G363-N392 VanDerWaalsContact N-O 3.11Å; M364-N392 HydrophobicContact CB-CB 4.18Å; M364-N392 VanDerWaalsContact CB-O 3.25Å; M364-N392 WeakPolarHBondContact CB-O 3.4Å; M364-N392 HydrophobicContact CE-CB 3.95Å; M364-N392 PolarHBondContact N-O 2.86Å; R369-N392 PolarHBondContact O-OD1 2.94Å; R369-N392 VanDerWaalsContact O-OD1 3.09Å; C371-N392 PolarHBondContact O-ND2 2.94Å; T372-N392 WeakPolarHBondContact CG2-ND2 3.28Å; E388-N392 PolarHBondContact O-N 3.35Å; E388-N392 PolarHBondContact O-ND2 2.76Å; E388-N392 VanDerWaalsContact O-ND2 3.15Å; S389-N392 WeakPolarHBondContact O-CB 3.38Å; S389-N392 PolarHBondContact O-N 2.63Å; S389-N392 VanDerWaalsContact O-N 3.16Å; G390-N392 VanDerWaalsContact C-N 3.3Å; G390-N392 PolarHBondContact O-N 3.14Å; N392-G394 PolarHBondContact O-N 3.26Å
393	F	87.4	Confident	82.2	Confident	1 Å²	1	26.6 Å²	26.6	0%	0.004	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	6.3	169.7	-70.9	-67.2	0	0	0	114.2	V243 F277 I286 M364 S389 G390 H391 M395 L433 F436 L445	V243-F393 HydrophobicContact CG2-CZ 3.87Å; F277-F393 HydrophobicContact CD1-CE2 4.45Å; F277-F393 HydrophobicContact CE1-CD2 4.06Å; F277-F393 AromaticContact CE1-CE2 3.66Å; F277-F393 HydrophobicContact CE1-CE2 3.66Å; F277-F393 HydrophobicContact CZ-CE2 4.19Å; I286-F393 HydrophobicContact CD1-CE1 4.39Å; I286-F393 HydrophobicContact CD1-CZ 4.19Å; I286-F393 HydrophobicContact CG2-CZ 4.4Å; M364-F393 HydrophobicContact CB-CD1 4.37Å; M364-F393 HydrophobicContact CE-CD2 4.29Å; M364-F393 HydrophobicContact CE-CE1 4.07Å; M364-F393 HydrophobicContact CE-CE2 3.81Å; M364-F393 HydrophobicContact CE-CZ 3.69Å; M364-F393 HydrophobicContact CG-CD1 4.14Å; M364-F393 HydrophobicContact CG-CE1 3.84Å; M364-F393 HydrophobicContact CG-CZ 4.39Å; M364-F393 HydrophobicContact SD-CZ 4.5Å; S389-F393 WeakPolarHBondContact O-CD2 3.25Å; S389-F393 PolarHBondContact O-N 2.84Å; S389-F393 VanDerWaalsContact O-N 3.17Å; G390-F393 CarbonylContact O-C 3.6Å; G390-F393 WeakPolarHBondContact O-CA 3.34Å; G390-F393 WeakPolarHBondContact O-CB 3.28Å; G390-F393 PolarHBondContact O-N 3.49Å; G390-F393 VanDerWaalsContact O-N 3.08Å; H391-F393 PolarHBondContact O-N 2.88Å; F393-M395 HydrophobicContact CB-CE 3.9Å; F393-M395 HydrophobicContact CB-CG 4.44Å; F393-M395 HydrophobicContact CD2-CE 4.35Å; F393-M395 HydrophobicContact CG-CE 4.42Å; F393-L433 HydrophobicContact CB-CD1 3.84Å; F393-L433 HydrophobicContact CD1-CD1 3.65Å; F393-L433 HydrophobicContact CD2-CD1 4.32Å; F393-L433 HydrophobicContact CE1-CD1 4.24Å; F393-L433 HydrophobicContact CG-CD1 3.69Å; F393-F436 AromaticContact CD1-CD1 3.77Å; F393-F436 HydrophobicContact CD1-CD1 3.77Å; F393-F436 AromaticContact CD1-CE1 3.88Å; F393-F436 HydrophobicContact CD1-CE1 3.88Å; F393-F436 HydrophobicContact CE1-CE1 4.44Å; F393-F436 WeakPolarHBondContact O-CB 3.33Å; F393-F436 WeakPolarHBondContact O-CG 3.04Å; F393-L445 HydrophobicContact CE1-CD1 3.8Å
394	G	83.4	Confident	82.1	Confident	17 Å²	17	26.2 Å²	26.2	18%	0.175	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	14.2	179.3	0	0	0	0	0	114.2	G390 H391 N392	G390-G394 PolarHBondContact O-N 2.94Å; H391-G394 WeakPolarHBondContact O-CA 3.36Å; H391-G394 PolarHBondContact O-N 2.87Å; N392-G394 PolarHBondContact O-N 3.26Å
395	M	86	Confident	81.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.			trans	-73.6	139.3	174.6	-52.7	-174.5	-156.6	0	0	110	G390 H391 F393 M412 W425 L433	G390-M395 VanDerWaalsContact O-CB 3.25Å; G390-M395 WeakPolarHBondContact O-CB 3.37Å; G390-M395 VanDerWaalsContact O-CG 3.22Å; G390-M395 WeakPolarHBondContact O-CG 3.45Å; G390-M395 PolarHBondContact O-N 2.81Å; G390-M395 VanDerWaalsContact O-N 3.08Å; H391-M395 PolarHBondContact ND1-O 2.86Å; F393-M395 HydrophobicContact CB-CE 3.9Å; F393-M395 HydrophobicContact CB-CG 4.44Å; F393-M395 HydrophobicContact CD2-CE 4.35Å; F393-M395 HydrophobicContact CG-CE 4.42Å; M395-M412 HydrophobicContact CB-CE 4.04Å; M395-M412 HydrophobicContact CB-CG 4.19Å; M395-M412 HydrophobicContact CB-SD 4.25Å; M395-M412 HydrophobicContact SD-CG 4.09Å; M395-M412 HydrophobicContact SD-SD 4.29Å; M395-W425 HydrophobicContact CE-CE3 4.4Å; M395-W425 HydrophobicContact CE-CZ3 3.97Å; M395-W425 HydrophobicContact SD-CE3 3.92Å; M395-W425 HydrophobicContact SD-CZ3 3.53Å; M395-W425 VanDerWaalsContact SD-CZ3 3.53Å; M395-L433 HydrophobicContact CE-CB 3.8Å; M395-L433 HydrophobicContact CE-CD1 3.92Å; M395-L433 HydrophobicContact CE-CD2 4.24Å; M395-L433 HydrophobicContact CE-CG 4.2Å
396	I	82.6	Confident	80.6	Confident	49 Å²	49	42.3 Å²	42.3	25%	0.251	24%	0.237	S	C	.	.			trans	-109.6	163.7	171.4	63.3	168.1	0	0	0	109.7	I361 N402 Y432	I361-I396 HydrophobicContact CD1-CG2 4.45Å; I396-N402 HydrophobicContact CD1-CB 4.46Å; I396-Y432 HydrophobicContact CD1-CE2 4.28Å; I396-Y432 VanDerWaalsContact CD1-OH 3.31Å; I396-Y432 WeakPolarHBondContact CD1-OH 3.28Å; I396-Y432 HydrophobicContact CG1-CD2 4.36Å; I396-Y432 HydrophobicContact CG1-CE1 4.35Å; I396-Y432 HydrophobicContact CG1-CE2 3.58Å
397	H	82.9	Confident	79.4	Confident	46 Å²	46	45.1 Å²	45.1	21%	0.213	25%	0.254	C	S	.	.			trans	-59.4	140.6	179.9	-65.5	147.5	0	0	0	113.3	H387 H391 G399 E400 N402 M412 P414	H387-H397 AromaticContact CE1-CD2 3.7Å; H387-H397 AromaticContact CE1-NE2 3.73Å; H387-H397 AromaticContact NE2-CD2 3.61Å; H387-H397 AromaticContact NE2-NE2 3.29Å; H387-H397 PolarHBondContact NE2-NE2 2.84Å; H391-H397 AromaticContact CE1-CD2 3.69Å; H391-H397 AromaticContact CE1-NE2 3.65Å; H391-H397 AromaticContact NE2-CD2 3.78Å; H391-H397 AromaticContact NE2-NE2 3.35Å; H391-H397 PolarHBondContact NE2-NE2 3.47Å; H397-G399 PolarHBondContact O-N 3.13Å; H397-E400 HydrophobicContact CB-CB 4.09Å; H397-E400 IonicContact CG-OE2 2.76Å; H397-E400 IonicContact ND1-OE2 3.76Å; H397-E400 PolarHBondContact ND1-OE2 2.81Å; H397-E400 VanDerWaalsContact ND1-OE2 3.13Å; H397-E400 PolarHBondContact O-N 3.44Å; H397-N402 PolarHBondContact O-ND2 2.88Å; H397-M412 VanDerWaalsContact CA-O 3.28Å; H397-M412 WeakPolarHBondContact CA-O 3.12Å; H397-P414 HydrophobicContact CB-CG 3.94Å
398	D	81.3	Confident	78.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	134.6	172.5	-70.5	-32.3	0	0	0	110.9	E400 C404 K406 N410 M412 S426	D398-E400 VanDerWaalsContact C-N 3.27Å; D398-E400 PolarHBondContact O-N 3.29Å; D398-C404 HydrophobicContact CB-CB 4.22Å; D398-K406 VanDerWaalsContact O-CG 3.23Å; D398-K406 WeakPolarHBondContact O-CG 3.21Å; D398-N410 VanDerWaalsContact OD2-CB 3.3Å; D398-N410 WeakPolarHBondContact OD2-CB 3.34Å; D398-N410 PolarHBondContact OD2-ND2 3.47Å; D398-M412 PolarHBondContact N-O 3.04Å; D398-S426 WeakPolarHBondContact OD1-CB 3.42Å; D398-S426 PolarHBondContact OD1-OG 3.15Å; D398-S426 WeakPolarHBondContact OD2-CB 3.33Å; D398-S426 PolarHBondContact OD2-OG 2.97Å
399	G	73.5	Confident	77.1	Confident	28 Å²	28	50.3 Å²	50.3	29%	0.289	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	11.3	179.9	0	0	0	0	0	115.4	H397 N402 C404	H397-G399 PolarHBondContact O-N 3.13Å; G399-N402 PolarHBondContact N-OD1 2.83Å; G399-C404 WeakPolarHBondContact CA-O 3.46Å; G399-C404 PolarHBondContact N-O 2.84Å
400	E	69.9	Low	76.7	Confident	114 Å²	114	51.2 Å²	51.2	53%	0.533	28%	0.284	S	S	.	.	S	Bend	trans	-107	82.1	170	-165.5	164.8	-170.4	0	0	109.8	H397 D398 N402	H397-E400 HydrophobicContact CB-CB 4.09Å; H397-E400 IonicContact CG-OE2 2.76Å; H397-E400 IonicContact ND1-OE2 3.76Å; H397-E400 PolarHBondContact ND1-OE2 2.81Å; H397-E400 VanDerWaalsContact ND1-OE2 3.13Å; H397-E400 PolarHBondContact O-N 3.44Å; D398-E400 VanDerWaalsContact C-N 3.27Å; D398-E400 PolarHBondContact O-N 3.29Å; E400-N402 VanDerWaalsContact C-N 3.29Å; E400-N402 PolarHBondContact O-N 2.91Å
401	G	62.2	Low	76.5	Confident	90 Å²	90	51.3 Å²	51.3	93%	0.928	28%	0.284	S	S	*	.	S	Bend	trans	76.7	7.5	179.3	0	0	0	0	0	115.6
402	N	75.4	Confident	76.6	Confident	19 Å²	19	50.5 Å²	50.5	10%	0.102	28%	0.281	C	S	.	.	S	Bend	trans	-118.9	163.3	176.4	69.9	45.4	0	0	0	111.6	I396 H397 G399 E400 C404 Y432	I396-N402 HydrophobicContact CD1-CB 4.46Å; H397-N402 PolarHBondContact O-ND2 2.88Å; G399-N402 PolarHBondContact N-OD1 2.83Å; E400-N402 VanDerWaalsContact C-N 3.29Å; E400-N402 PolarHBondContact O-N 2.91Å; N402-C404 PolarHBondContact O-N 3.15Å; N402-C404 WeakPolarHBondContact OD1-CB 3.41Å; N402-C404 PolarHBondContact OD1-N 3.47Å; N402-C404 VanDerWaalsContact OD1-N 3.16Å; N402-C404 PolarHBondContact OD1-O 3.32Å; N402-Y432 WeakPolarHBondContact CB-OH 3.44Å
403	P	75.4	Confident	76.3	Confident	120 Å²	120	50.6 Å²	50.6	78%	0.779	28%	0.282	S	S	*	.	S	Bend	trans	-74.9	-7.5	-174.5	30.4	-35.4	0	0	0	113.8
404	C	79.9	Confident	75.5	Confident	15 Å²	15	53.2 Å²	53.2	10%	0.101	30%	0.298	C	S	.	.	S	Bend	trans	-77.1	144.9	177.3	-66.5	0	0	0	0	110.3	D398 G399 N402 T427 C428	D398-C404 HydrophobicContact CB-CB 4.22Å; G399-C404 WeakPolarHBondContact CA-O 3.46Å; G399-C404 PolarHBondContact N-O 2.84Å; N402-C404 PolarHBondContact O-N 3.15Å; N402-C404 WeakPolarHBondContact OD1-CB 3.41Å; N402-C404 PolarHBondContact OD1-N 3.47Å; N402-C404 VanDerWaalsContact OD1-N 3.16Å; N402-C404 PolarHBondContact OD1-O 3.32Å; C404-T427 PolarHBondContact SG-OG1 2.92Å; C404-T427 VanDerWaalsContact SG-OG1 3.37Å; C404-C428 HydrophobicContact CB-CB 3.94Å; C404-C428 WeakPolarHBondContact CB-SG 3.37Å; C404-C428 PolarHBondContact N-SG 3.4Å; C404-C428 VanDerWaalsContact N-SG 3.44Å; C404-C428 WeakPolarHBondContact SG-CB 3.45Å; C404-C428 PolarHBondContact SG-N 3.16Å; C404-C428 CovalentContact SG-SG 2.03Å; C404-C428 PolarHBondContact SG-SG 3.07Å
405	R	72.9	Confident	74.8	Confident	204 Å²	204	56.9 Å²	56.9	77%	0.77	32%	0.318	S	S	*	.			trans	-85.6	147.8	178.1	-67	-177.8	-178.9	-175.4	0.3	110	T407	R405-T407 VanDerWaalsContact C-N 3.3Å; R405-T407 HydrophobicContact CB-CG2 3.81Å; R405-T407 PolarHBondContact O-N 2.88Å; R405-T407 PolarHBondContact O-OG1 3.48Å
406	K	66.9	Low	73.6	Confident	137 Å²	137	58.6 Å²	58.6	60%	0.596	33%	0.327	S	S	*	.			trans	-61.8	94.1	163	-65.5	-176.3	-178.4	-166.5	0	107.6	D398 P414	D398-K406 VanDerWaalsContact O-CG 3.23Å; D398-K406 WeakPolarHBondContact O-CG 3.21Å; K406-P414 HydrophobicContact CD-CG 4.4Å
407	T	63.2	Low	72.6	Confident	59 Å²	59	57.5 Å²	57.5	36%	0.362	33%	0.325	S	S	.	.			trans	-121.4	136	-174.2	35.7	0	0	0	0	108.8	R405 N410	R405-T407 VanDerWaalsContact C-N 3.3Å; R405-T407 HydrophobicContact CB-CG2 3.81Å; R405-T407 PolarHBondContact O-N 2.88Å; R405-T407 PolarHBondContact O-OG1 3.48Å; T407-N410 PolarHBondContact OG1-ND2 2.93Å
408	E	60.4	Low	71.3	Confident	131 Å²	131	56 Å²	56	61%	0.612	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	139.2	175	-62.9	176.8	176.7	0	0	109.5	A417 N419	E408-A417 HydrophobicContact CG-CB 4.19Å; E408-N419 WeakPolarHBondContact O-CB 3.31Å
409	G	66.3	Low	70.1	Confident	4 Å²	4	60.1 Å²	60.1	4%	0.041	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	0.8	-178.6	0	0	0	0	0	116.9	A417 F423 S424	G409-A417 PolarHBondContact N-O 2.02Å; G409-F423 CarbonylContact O-C 3.58Å; G409-F423 VanDerWaalsContact O-CA 3.31Å; G409-F423 WeakPolarHBondContact O-CA 3.37Å; G409-S424 PolarHBondContact O-N 3.16Å
410	N	81.2	Confident	69.5	Low	23 Å²	23	63.6 Å²	63.6	12%	0.123	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-88.8	138.3	167.4	-69.7	-12.4	0	0	0	111.2	D398 T407 M412 S413 S424	D398-N410 VanDerWaalsContact OD2-CB 3.3Å; D398-N410 WeakPolarHBondContact OD2-CB 3.34Å; D398-N410 PolarHBondContact OD2-ND2 3.47Å; T407-N410 PolarHBondContact OG1-ND2 2.93Å; N410-M412 PolarHBondContact O-N 2.82Å; N410-S413 VanDerWaalsContact O-CB 3.26Å; N410-S413 WeakPolarHBondContact O-CB 3.32Å; N410-S413 PolarHBondContact O-N 3.37Å; N410-S424 VanDerWaalsContact CA-O 3.3Å; N410-S424 WeakPolarHBondContact CA-O 3.04Å
411	I	83.6	Confident	68.9	Low	2 Å²	2	58.6 Å²	58.6	1%	0.01	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-44.2	-179.9	-67.3	166.8	0	0	0	111.2	L276 A386 H387 S413 F423 S424 W425	L276-I411 HydrophobicContact CD2-CD1 4.37Å; A386-I411 HydrophobicContact CB-CG2 4.36Å; H387-I411 HydrophobicContact CB-CG2 4.32Å; H387-I411 PolarHBondContact ND1-O 3.47Å; I411-S413 PolarHBondContact O-N 3.42Å; I411-F423 HydrophobicContact CG1-CB 4.15Å; I411-S424 PolarHBondContact N-O 3.14Å; I411-W425 HydrophobicContact CB-CD2 4.43Å; I411-W425 HydrophobicContact CB-CE3 4.23Å; I411-W425 HydrophobicContact CB-CZ3 4.3Å; I411-W425 HydrophobicContact CD1-CD2 3.8Å; I411-W425 VanDerWaalsContact CD1-CE2 3.44Å; I411-W425 HydrophobicContact CD1-CE3 4.42Å; I411-W425 HydrophobicContact CD1-CG 4.11Å; I411-W425 HydrophobicContact CD1-CH2 4.45Å; I411-W425 HydrophobicContact CD1-CZ2 3.82Å; I411-W425 HydrophobicContact CG2-CE3 4.36Å; I411-W425 HydrophobicContact CG2-CH2 3.91Å; I411-W425 HydrophobicContact CG2-CZ2 4.31Å; I411-W425 HydrophobicContact CG2-CZ3 3.92Å
412	M	85.6	Confident	69.2	Low	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	23	179.6	-58.8	-53.3	-54.3	0	0	113.7	H391 M395 H397 D398 N410 W425 S429	H391-M412 VanDerWaalsContact CE1-CE 3.5Å; H391-M412 WeakPolarHBondContact CE1-CE 2.9Å; M395-M412 HydrophobicContact CB-CE 4.04Å; M395-M412 HydrophobicContact CB-CG 4.19Å; M395-M412 HydrophobicContact CB-SD 4.25Å; M395-M412 HydrophobicContact SD-CG 4.09Å; M395-M412 HydrophobicContact SD-SD 4.29Å; H397-M412 VanDerWaalsContact CA-O 3.28Å; H397-M412 WeakPolarHBondContact CA-O 3.12Å; D398-M412 PolarHBondContact N-O 3.04Å; N410-M412 PolarHBondContact O-N 2.82Å; M412-W425 HydrophobicContact CG-CE3 4.32Å; M412-W425 HydrophobicContact CG-CZ3 4.06Å; M412-W425 HydrophobicContact SD-CZ3 3.98Å; M412-S429 WeakPolarHBondContact CG-OG 3.36Å
413	S	81.2	Confident	69.1	Low	3 Å²	3	57.5 Å²	57.5	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	-73.4	141.6	170.7	176.8	0	0	0	0	110.1	H387 N410 I411 T415	H387-S413 PolarHBondContact CE1-O 2.9Å; N410-S413 VanDerWaalsContact O-CB 3.26Å; N410-S413 WeakPolarHBondContact O-CB 3.32Å; N410-S413 PolarHBondContact O-N 3.37Å; I411-S413 PolarHBondContact O-N 3.42Å; S413-T415 WeakPolarHBondContact CB-O 3.48Å; S413-T415 PolarHBondContact O-N 2.85Å; S413-T415 VanDerWaalsContact O-N 3.08Å; S413-T415 PolarHBondContact OG-N 2.81Å; S413-T415 PolarHBondContact OG-O 3.05Å
414	P	72.3	Confident	69.4	Low	55 Å²	55	53.5 Å²	53.5	36%	0.357	29%	0.285	S	S	.	.	S	Bend	trans	-59.4	-18.4	174.4	-23	31.7	0	0	0	114.7	H397 K406	H397-P414 HydrophobicContact CB-CG 3.94Å; K406-P414 HydrophobicContact CD-CG 4.4Å
415	T	68.1	Low	69.7	Low	94 Å²	94	53.2 Å²	53.2	58%	0.577	28%	0.282	S	S	*	.	S	Bend	trans	-126.7	126.3	174.8	53.9	0	0	0	0	109.4	S413 A417	S413-T415 WeakPolarHBondContact CB-O 3.48Å; S413-T415 PolarHBondContact O-N 2.85Å; S413-T415 VanDerWaalsContact O-N 3.08Å; S413-T415 PolarHBondContact OG-N 2.81Å; S413-T415 PolarHBondContact OG-O 3.05Å; T415-A417 PolarHBondContact O-N 2.83Å
416	L	61.6	Low	70.3	Confident	36 Å²	36	43.9 Å²	43.9	19%	0.188	25%	0.247	C	C	.	.			trans	-77.6	61.5	177.7	-69	167	0	0	0	110.9	E356 F383	E356-L416 WeakPolarHBondContact OE2-CD1 3.23Å; F383-L416 HydrophobicContact CB-CD2 4.43Å
417	A	59.7	Low	71	Confident	26 Å²	26	41.1 Å²	41.1	22%	0.215	24%	0.242	C	C	.	.			trans	-97.2	112.1	170.9	0	0	0	0	0	108.7	E408 G409 T415	E408-A417 HydrophobicContact CG-CB 4.19Å; G409-A417 PolarHBondContact N-O 2.02Å; T415-A417 PolarHBondContact O-N 2.83Å
418	G	55.6	Low	72	Confident	16 Å²	16	38.3 Å²	38.3	17%	0.165	23%	0.225	C	C	.	.			trans	-71.5	137.6	179.6	0	0	0	0	0	112.3	N420	G418-N420 PolarHBondContact O-N 2.9Å
419	N	57.1	Low	73.2	Confident	87 Å²	87	32.1 Å²	32.1	47%	0.465	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-83.6	92.5	173	-177.2	6.7	0	0	0	109.4	E408 G421 V422	E408-N419 WeakPolarHBondContact O-CB 3.31Å; N419-G421 PolarHBondContact O-N 2.95Å; N419-V422 PolarHBondContact O-N 2.93Å
420	N	60	Low	74	Confident	100 Å²	100	35.1 Å²	35.1	54%	0.535	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.3	-175.6	-60.2	-45.6	0	0	0	113.9	G418 K493	G418-N420 PolarHBondContact O-N 2.9Å; N420-K493 HydrophobicContact CB-CD 4.08Å; N420-K493 HydrophobicContact CB-CG 4.36Å
421	G	59	Low	73.9	Confident	9 Å²	9	39.7 Å²	39.7	9%	0.093	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	9.2	178.1	0	0	0	0	0	116.1	N419	N419-G421 PolarHBondContact O-N 2.95Å
422	V	67.8	Low	73.8	Confident	72 Å²	72	42.4 Å²	42.4	44%	0.436	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-109.1	131.3	175.4	-175.9	0	0	0	0	110.4	N419	N419-V422 PolarHBondContact O-N 2.93Å
423	F	74.3	Confident	73.7	Confident	15 Å²	15	42.4 Å²	42.4	7%	0.066	24%	0.237	C	C	.	.			trans	-116.2	139.4	176.5	-63.5	-92	0	0	0	110.3	F383 G409 I411 M509 P510	F383-F423 HydrophobicContact CD1-CB 4.01Å; F383-F423 AromaticContact CD1-CD1 3.98Å; F383-F423 HydrophobicContact CD1-CD1 3.98Å; F383-F423 AromaticContact CD1-CD2 3.69Å; F383-F423 HydrophobicContact CD1-CD2 3.69Å; F383-F423 HydrophobicContact CD1-CE1 4.34Å; F383-F423 HydrophobicContact CD1-CE2 4.06Å; F383-F423 AromaticContact CD1-CG 3.62Å; F383-F423 HydrophobicContact CD1-CG 3.62Å; F383-F423 HydrophobicContact CD1-CZ 4.37Å; F383-F423 HydrophobicContact CD2-CE2 4.43Å; F383-F423 HydrophobicContact CE1-CB 3.7Å; F383-F423 HydrophobicContact CE1-CD1 4.19Å; F383-F423 AromaticContact CE1-CD2 3.05Å; F383-F423 HydrophobicContact CE1-CD2 3.05Å; F383-F423 AromaticContact CE1-CE2 3.6Å; F383-F423 HydrophobicContact CE1-CE2 3.6Å; F383-F423 AromaticContact CE1-CG 3.38Å; F383-F423 HydrophobicContact CE1-CG 3.38Å; F383-F423 HydrophobicContact CE1-CZ 4.35Å; F383-F423 HydrophobicContact CE2-CD2 4.26Å; F383-F423 AromaticContact CE2-CE2 3.99Å; F383-F423 HydrophobicContact CE2-CE2 3.99Å; F383-F423 HydrophobicContact CG-CD2 4.5Å; F383-F423 HydrophobicContact CG-CE2 4.44Å; F383-F423 AromaticContact CZ-CD2 3.39Å; F383-F423 HydrophobicContact CZ-CD2 3.39Å; F383-F423 AromaticContact CZ-CE2 3.54Å; F383-F423 HydrophobicContact CZ-CE2 3.54Å; F383-F423 HydrophobicContact CZ-CG 4.18Å; F383-F423 HydrophobicContact CZ-CZ 4.45Å; G409-F423 CarbonylContact O-C 3.58Å; G409-F423 VanDerWaalsContact O-CA 3.31Å; G409-F423 WeakPolarHBondContact O-CA 3.37Å; I411-F423 HydrophobicContact CG1-CB 4.15Å; F423-M509 HydrophobicContact CZ-CE 4.38Å; F423-M509 HydrophobicContact CZ-SD 4.16Å; F423-P510 HydrophobicContact CE2-CG 4.09Å
424	S	81.3	Confident	73.5	Confident	36 Å²	36	45.3 Å²	45.3	25%	0.252	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-143.8	160.3	-179.6	60.6	0	0	0	0	112.5	G409 N410 I411	G409-S424 PolarHBondContact O-N 3.16Å; N410-S424 VanDerWaalsContact CA-O 3.3Å; N410-S424 WeakPolarHBondContact CA-O 3.04Å; I411-S424 PolarHBondContact N-O 3.14Å
425	W	84.7	Confident	73.7	Confident	9 Å²	9	50.5 Å²	50.5	3%	0.034	27%	0.27	C	S	.	.			trans	-85.1	136.7	172.9	-62.2	92.1	0	0	0	110.9	L276 F277 T281 I282 A386 M395 I411 M412	L276-W425 PolarHBondContact O-NE1 2.95Å; F277-W425 HydrophobicContact CD1-CZ2 4.07Å; F277-W425 HydrophobicContact CD2-CZ2 4.35Å; F277-W425 AromaticContact CE1-CH2 3.83Å; F277-W425 HydrophobicContact CE1-CH2 3.83Å; F277-W425 AromaticContact CE1-CZ2 3.77Å; F277-W425 HydrophobicContact CE1-CZ2 3.77Å; F277-W425 HydrophobicContact CE2-CH2 4.39Å; F277-W425 HydrophobicContact CE2-CZ2 4.13Å; F277-W425 HydrophobicContact CG-CZ2 4.36Å; F277-W425 AromaticContact CZ-CH2 3.74Å; F277-W425 HydrophobicContact CZ-CH2 3.74Å; F277-W425 AromaticContact CZ-CZ2 3.82Å; F277-W425 HydrophobicContact CZ-CZ2 3.82Å; T281-W425 PolarHBondContact OG1-N 2.98Å; T281-W425 VanDerWaalsContact OG1-N 3.08Å; I282-W425 HydrophobicContact CB-CB 4.31Å; I282-W425 HydrophobicContact CB-CD2 4.36Å; I282-W425 HydrophobicContact CB-CG 3.82Å; I282-W425 HydrophobicContact CD1-CD2 4.06Å; I282-W425 HydrophobicContact CD1-CG 4.42Å; I282-W425 HydrophobicContact CD1-CZ2 3.91Å; I282-W425 HydrophobicContact CG1-CB 4.42Å; I282-W425 HydrophobicContact CG1-CD2 3.85Å; I282-W425 HydrophobicContact CG1-CG 3.8Å; A386-W425 HydrophobicContact CB-CZ2 4.5Å; M395-W425 HydrophobicContact CE-CE3 4.4Å; M395-W425 HydrophobicContact CE-CZ3 3.97Å; M395-W425 HydrophobicContact SD-CE3 3.92Å; M395-W425 HydrophobicContact SD-CZ3 3.53Å; M395-W425 VanDerWaalsContact SD-CZ3 3.53Å; I411-W425 HydrophobicContact CB-CD2 4.43Å; I411-W425 HydrophobicContact CB-CE3 4.23Å; I411-W425 HydrophobicContact CB-CZ3 4.3Å; I411-W425 HydrophobicContact CD1-CD2 3.8Å; I411-W425 VanDerWaalsContact CD1-CE2 3.44Å; I411-W425 HydrophobicContact CD1-CE3 4.42Å; I411-W425 HydrophobicContact CD1-CG 4.11Å; I411-W425 HydrophobicContact CD1-CH2 4.45Å; I411-W425 HydrophobicContact CD1-CZ2 3.82Å; I411-W425 HydrophobicContact CG2-CE3 4.36Å; I411-W425 HydrophobicContact CG2-CH2 3.91Å; I411-W425 HydrophobicContact CG2-CZ2 4.31Å; I411-W425 HydrophobicContact CG2-CZ3 3.92Å; M412-W425 HydrophobicContact CG-CE3 4.32Å; M412-W425 HydrophobicContact CG-CZ3 4.06Å; M412-W425 HydrophobicContact SD-CZ3 3.98Å
426	S	86.1	Confident	74.3	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.049	25%	0.245	C	C	.	.			trans	-74.4	164.1	179.2	92.2	0	0	0	0	111.7	D398 C428 S429 R430	D398-S426 WeakPolarHBondContact OD1-CB 3.42Å; D398-S426 PolarHBondContact OD1-OG 3.15Å; D398-S426 WeakPolarHBondContact OD2-CB 3.33Å; D398-S426 PolarHBondContact OD2-OG 2.97Å; S426-C428 PolarHBondContact O-N 3.3Å; S426-C428 PolarHBondContact OG-N 3.09Å; S426-C428 VanDerWaalsContact OG-N 3.17Å; S426-S429 PolarHBondContact O-N 2.86Å; S426-S429 PolarHBondContact OG-N 2.83Å; S426-S429 PolarHBondContact OG-OG 3.08Å; S426-S429 VanDerWaalsContact OG-OG 3.06Å; S426-R430 PolarHBondContact O-N 2.86Å; S426-R430 VanDerWaalsContact O-N 3.17Å
427	T	83	Confident	75.1	Confident	79 Å²	79	46.1 Å²	46.1	49%	0.485	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-31.5	173.8	57	0	0	0	0	112.2	C404 Q431	C404-T427 PolarHBondContact SG-OG1 2.92Å; C404-T427 VanDerWaalsContact SG-OG1 3.37Å; T427-Q431 WeakPolarHBondContact O-CG 3.45Å; T427-Q431 PolarHBondContact O-N 3.36Å
428	C	83.4	Confident	75.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-72.5	-45.4	177.3	-62	0	0	0	0	110.9	C404 S426 R430 Q431 Y432	C404-C428 HydrophobicContact CB-CB 3.94Å; C404-C428 WeakPolarHBondContact CB-SG 3.37Å; C404-C428 PolarHBondContact N-SG 3.4Å; C404-C428 VanDerWaalsContact N-SG 3.44Å; C404-C428 WeakPolarHBondContact SG-CB 3.45Å; C404-C428 PolarHBondContact SG-N 3.16Å; C404-C428 CovalentContact SG-SG 2.03Å; C404-C428 PolarHBondContact SG-SG 3.07Å; S426-C428 PolarHBondContact O-N 3.3Å; S426-C428 PolarHBondContact OG-N 3.09Å; S426-C428 VanDerWaalsContact OG-N 3.17Å; C428-R430 VanDerWaalsContact C-N 3.29Å; C428-R430 PolarHBondContact O-N 2.94Å; C428-Q431 WeakPolarHBondContact O-CB 3.06Å; C428-Q431 PolarHBondContact O-N 3.14Å; C428-Y432 HydrophobicContact CB-CD2 4.39Å; C428-Y432 HydrophobicContact CB-CE2 4Å; C428-Y432 WeakPolarHBondContact O-CD2 3.13Å; C428-Y432 PolarHBondContact O-N 3.46Å
429	S	84.6	Confident	76	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-53.6	-46.5	175.8	-51	0	0	0	0	111.7	M412 S426 Q431 Y432 L433	M412-S429 WeakPolarHBondContact CG-OG 3.36Å; S426-S429 PolarHBondContact O-N 2.86Å; S426-S429 PolarHBondContact OG-N 2.83Å; S426-S429 PolarHBondContact OG-OG 3.08Å; S426-S429 VanDerWaalsContact OG-OG 3.06Å; S429-Q431 PolarHBondContact O-N 3.24Å; S429-Y432 PolarHBondContact O-N 3.14Å; S429-L433 WeakPolarHBondContact O-CB 3.41Å; S429-L433 PolarHBondContact O-N 3.31Å
430	R	83.5	Confident	76.3	Confident	67 Å²	67	48.2 Å²	48.2	25%	0.253	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-40.8	175	171	172	55.2	-176	-4.4	113.3	I282 S426 C428 L433 S434	I282-R430 WeakPolarHBondContact O-CB 3.5Å; I282-R430 VanDerWaalsContact O-CG 3.24Å; I282-R430 WeakPolarHBondContact O-CG 2.91Å; S426-R430 PolarHBondContact O-N 2.86Å; S426-R430 VanDerWaalsContact O-N 3.17Å; C428-R430 VanDerWaalsContact C-N 3.29Å; C428-R430 PolarHBondContact O-N 2.94Å; R430-L433 PolarHBondContact O-N 3.01Å; R430-S434 WeakPolarHBondContact O-CB 3.03Å; R430-S434 PolarHBondContact O-N 3.42Å; R430-S434 PolarHBondContact O-OG 2.8Å
431	Q	79.1	Confident	76.6	Confident	120 Å²	120	46.8 Å²	46.8	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-65.6	-44.5	177.1	-76	174.7	-7.5	0	0	111.4	T427 C428 S429 L433 S434 R435	T427-Q431 WeakPolarHBondContact O-CG 3.45Å; T427-Q431 PolarHBondContact O-N 3.36Å; C428-Q431 WeakPolarHBondContact O-CB 3.06Å; C428-Q431 PolarHBondContact O-N 3.14Å; S429-Q431 PolarHBondContact O-N 3.24Å; Q431-L433 VanDerWaalsContact C-N 3.34Å; Q431-L433 PolarHBondContact O-N 2.8Å; Q431-S434 PolarHBondContact O-N 2.93Å; Q431-S434 PolarHBondContact O-OG 3.39Å; Q431-R435 WeakPolarHBondContact O-CB 3.43Å; Q431-R435 PolarHBondContact O-N 3.38Å
432	Y	82.1	Confident	77.5	Confident	58 Å²	58	46.4 Å²	46.4	23%	0.227	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-45.5	175.2	-69.9	-58.2	0	0	0	111.9	I396 N402 C428 S429 R435 F436	I396-Y432 HydrophobicContact CD1-CE2 4.28Å; I396-Y432 VanDerWaalsContact CD1-OH 3.31Å; I396-Y432 WeakPolarHBondContact CD1-OH 3.28Å; I396-Y432 HydrophobicContact CG1-CD2 4.36Å; I396-Y432 HydrophobicContact CG1-CE1 4.35Å; I396-Y432 HydrophobicContact CG1-CE2 3.58Å; N402-Y432 WeakPolarHBondContact CB-OH 3.44Å; C428-Y432 HydrophobicContact CB-CD2 4.39Å; C428-Y432 HydrophobicContact CB-CE2 4Å; C428-Y432 WeakPolarHBondContact O-CD2 3.13Å; C428-Y432 PolarHBondContact O-N 3.46Å; S429-Y432 PolarHBondContact O-N 3.14Å; Y432-R435 WeakPolarHBondContact O-CB 3.21Å; Y432-R435 PolarHBondContact O-N 2.96Å; Y432-F436 PolarHBondContact O-N 2.91Å
433	L	83.9	Confident	77.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-51.3	175.8	-175.8	60.6	0	0	0	111.6	I282 I286 F393 M395 S429 R430 Q431 R435 F436 L437	I282-L433 HydrophobicContact CD1-CD2 3.79Å; I282-L433 HydrophobicContact CG1-CD2 3.61Å; I286-L433 HydrophobicContact CD1-CD1 3.73Å; I286-L433 HydrophobicContact CD1-CD2 3.63Å; I286-L433 HydrophobicContact CD1-CG 4.16Å; F393-L433 HydrophobicContact CB-CD1 3.84Å; F393-L433 HydrophobicContact CD1-CD1 3.65Å; F393-L433 HydrophobicContact CD2-CD1 4.32Å; F393-L433 HydrophobicContact CE1-CD1 4.24Å; F393-L433 HydrophobicContact CG-CD1 3.69Å; M395-L433 HydrophobicContact CE-CB 3.8Å; M395-L433 HydrophobicContact CE-CD1 3.92Å; M395-L433 HydrophobicContact CE-CD2 4.24Å; M395-L433 HydrophobicContact CE-CG 4.2Å; S429-L433 WeakPolarHBondContact O-CB 3.41Å; S429-L433 PolarHBondContact O-N 3.31Å; R430-L433 PolarHBondContact O-N 3.01Å; Q431-L433 VanDerWaalsContact C-N 3.34Å; Q431-L433 PolarHBondContact O-N 2.8Å; L433-R435 PolarHBondContact O-N 2.97Å; L433-F436 PolarHBondContact O-N 2.96Å; L433-F436 VanDerWaalsContact O-N 3.08Å; L433-L437 HydrophobicContact CD1-CD1 4.24Å; L433-L437 HydrophobicContact CD1-CD2 4.49Å; L433-L437 HydrophobicContact CD1-CG 4.15Å; L433-L437 HydrophobicContact CG-CD1 3.96Å; L433-L437 HydrophobicContact CG-CG 4.27Å; L433-L437 VanDerWaalsContact O-CG 3.28Å; L433-L437 WeakPolarHBondContact O-CG 3.48Å; L433-L437 PolarHBondContact O-N 3.25Å
434	S	77	Confident	78.1	Confident	64 Å²	64	46 Å²	46	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-58.2	-36.8	179.5	69.4	0	0	0	0	112.5	R430 Q431 G438	R430-S434 WeakPolarHBondContact O-CB 3.03Å; R430-S434 PolarHBondContact O-N 3.42Å; R430-S434 PolarHBondContact O-OG 2.8Å; Q431-S434 PolarHBondContact O-N 2.93Å; Q431-S434 PolarHBondContact O-OG 3.39Å; S434-G438 PolarHBondContact O-N 2.8Å
435	R	75.9	Confident	78.1	Confident	165 Å²	165	44.3 Å²	44.3	62%	0.623	24%	0.244	S	C	*	.	H	α-helix	trans	-68.1	-42.3	175.6	178	179.8	173	172.5	-2.6	111.9	Q431 Y432 L433 G438	Q431-R435 WeakPolarHBondContact O-CB 3.43Å; Q431-R435 PolarHBondContact O-N 3.38Å; Y432-R435 WeakPolarHBondContact O-CB 3.21Å; Y432-R435 PolarHBondContact O-N 2.96Å; L433-R435 PolarHBondContact O-N 2.97Å; R435-G438 PolarHBondContact O-N 2.88Å
436	F	80.4	Confident	77.3	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-43.2	177	177.9	-92.5	0	0	0	111.6	M364 F393 Y432 L433 G438 T439 Q441 A442 L445	M364-F436 HydrophobicContact CB-CE1 3.96Å; M364-F436 HydrophobicContact CB-CE2 4.48Å; M364-F436 HydrophobicContact CB-CZ 3.65Å; M364-F436 HydrophobicContact CG-CE1 4.15Å; M364-F436 HydrophobicContact CG-CZ 4.23Å; F393-F436 AromaticContact CD1-CD1 3.77Å; F393-F436 HydrophobicContact CD1-CD1 3.77Å; F393-F436 AromaticContact CD1-CE1 3.88Å; F393-F436 HydrophobicContact CD1-CE1 3.88Å; F393-F436 HydrophobicContact CE1-CE1 4.44Å; F393-F436 WeakPolarHBondContact O-CB 3.33Å; F393-F436 WeakPolarHBondContact O-CG 3.04Å; Y432-F436 PolarHBondContact O-N 2.91Å; L433-F436 PolarHBondContact O-N 2.96Å; L433-F436 VanDerWaalsContact O-N 3.08Å; F436-G438 PolarHBondContact O-N 2.88Å; F436-T439 WeakPolarHBondContact O-CB 2.99Å; F436-T439 PolarHBondContact O-N 2.89Å; F436-T439 PolarHBondContact O-OG1 3.37Å; F436-Q441 HydrophobicContact CE2-CG 4.29Å; F436-Q441 HydrophobicContact CZ-CG 4.21Å; F436-A442 HydrophobicContact CD1-CB 4.28Å; F436-A442 HydrophobicContact CE1-CB 3.96Å; F436-L445 HydrophobicContact CE1-CD1 4.5Å
437	L	78.8	Confident	76.5	Confident	29 Å²	29	46.4 Å²	46.4	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-22.9	177.7	-66.2	178.7	0	0	0	113.3	L241 L433 T439 A442 L445	L241-L437 HydrophobicContact CD1-CD1 3.55Å; L241-L437 HydrophobicContact CD1-CD2 3.43Å; L241-L437 VanDerWaalsContact CD1-CD2 3.43Å; L241-L437 HydrophobicContact CD1-CG 4.04Å; L433-L437 HydrophobicContact CD1-CD1 4.24Å; L433-L437 HydrophobicContact CD1-CD2 4.49Å; L433-L437 HydrophobicContact CD1-CG 4.15Å; L433-L437 HydrophobicContact CG-CD1 3.96Å; L433-L437 HydrophobicContact CG-CG 4.27Å; L433-L437 VanDerWaalsContact O-CG 3.28Å; L433-L437 WeakPolarHBondContact O-CG 3.48Å; L433-L437 PolarHBondContact O-N 3.25Å; L437-T439 VanDerWaalsContact C-N 3.31Å; L437-A442 HydrophobicContact CD2-CB 4.35Å; L437-L445 HydrophobicContact CD2-CD1 4.09Å
438	G	65	Low	75.6	Confident	28 Å²	28	50 Å²	50	29%	0.289	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5	171.2	0	0	0	0	0	114.7	S434 R435 F436	S434-G438 PolarHBondContact O-N 2.8Å; R435-G438 PolarHBondContact O-N 2.88Å; F436-G438 PolarHBondContact O-N 2.88Å
439	T	68.4	Low	74.5	Confident	59 Å²	59	51 Å²	51	36%	0.362	28%	0.28	S	S	.	.	S	Bend	trans	-87.5	152.2	179.7	69.7	0	0	0	0	112.3	F436 L437 Q441 A442	F436-T439 WeakPolarHBondContact O-CB 2.99Å; F436-T439 PolarHBondContact O-N 2.89Å; F436-T439 PolarHBondContact O-OG1 3.37Å; L437-T439 VanDerWaalsContact C-N 3.31Å; T439-Q441 PolarHBondContact O-N 3.26Å; T439-Q441 VanDerWaalsContact O-N 3.16Å; T439-A442 PolarHBondContact O-N 3.28Å; T439-A442 VanDerWaalsContact O-N 3.08Å
440	A	64	Low	72.8	Confident	87 Å²	87	59.4 Å²	59.4	72%	0.719	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-58.9	-25.9	173.8	0	0	0	0	0	113.2	A442 S443	A440-A442 VanDerWaalsContact C-N 3.28Å; A440-A442 PolarHBondContact O-N 2.88Å; A440-S443 WeakPolarHBondContact O-CB 3.47Å; A440-S443 PolarHBondContact O-N 2.96Å; A440-S443 PolarHBondContact O-OG 3.22Å
441	Q	67.1	Low	71.2	Confident	70 Å²	70	61 Å²	61	33%	0.327	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.2	-33	176.6	-174	174.9	-11.8	0	0	112.1	S362 M364 C365 F436 T439 S443	S362-Q441 PolarHBondContact O-NE2 2.85Å; M364-Q441 WeakPolarHBondContact O-CG 3.37Å; M364-Q441 PolarHBondContact O-NE2 3.03Å; C365-Q441 HydrophobicContact CB-CG 4.19Å; C365-Q441 WeakPolarHBondContact CB-O 2.9Å; C365-Q441 PolarHBondContact SG-O 3.45Å; F436-Q441 HydrophobicContact CE2-CG 4.29Å; F436-Q441 HydrophobicContact CZ-CG 4.21Å; T439-Q441 PolarHBondContact O-N 3.26Å; T439-Q441 VanDerWaalsContact O-N 3.16Å; Q441-S443 PolarHBondContact O-N 3.02Å; Q441-S443 VanDerWaalsContact O-N 3.11Å
442	A	78	Confident	69.2	Low	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-71.6	-1.7	178.8	0	0	0	0	0	114.1	I233 F436 L437 T439 A440 C444 L445	I233-A442 WeakPolarHBondContact CD1-O 3.46Å; F436-A442 HydrophobicContact CD1-CB 4.28Å; F436-A442 HydrophobicContact CE1-CB 3.96Å; L437-A442 HydrophobicContact CD2-CB 4.35Å; T439-A442 PolarHBondContact O-N 3.28Å; T439-A442 VanDerWaalsContact O-N 3.08Å; A440-A442 VanDerWaalsContact C-N 3.28Å; A440-A442 PolarHBondContact O-N 2.88Å; A442-C444 PolarHBondContact O-N 3.42Å; A442-C444 VanDerWaalsContact O-N 3.13Å; A442-L445 PolarHBondContact O-N 3.49Å; A442-L445 VanDerWaalsContact O-N 3.09Å
443	S	74.4	Confident	67.3	Low	68 Å²	68	62 Å²	62	48%	0.476	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59	-22.7	179.9	59.5	0	0	0	0	114.6	A440 Q441 L445	A440-S443 WeakPolarHBondContact O-CB 3.47Å; A440-S443 PolarHBondContact O-N 2.96Å; A440-S443 PolarHBondContact O-OG 3.22Å; Q441-S443 PolarHBondContact O-N 3.02Å; Q441-S443 VanDerWaalsContact O-N 3.11Å; S443-L445 VanDerWaalsContact C-N 3.27Å; S443-L445 PolarHBondContact O-N 3.32Å
444	C	79.7	Confident	65.1	Low	12 Å²	12	69.5 Å²	69.5	8%	0.081	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-69	-23.4	176.5	90.2	0	0	0	0	113.6	D332 C365 A442 G446	D332-C444 VanDerWaalsContact CG-SG 3.51Å; D332-C444 PolarHBondContact OD1-SG 2.79Å; C365-C444 VanDerWaalsContact CA-SG 3.53Å; C365-C444 HydrophobicContact CB-CB 3.67Å; C365-C444 WeakPolarHBondContact CB-SG 3.2Å; C365-C444 WeakPolarHBondContact SG-CB 3.09Å; C365-C444 CovalentContact SG-SG 2.01Å; C365-C444 PolarHBondContact SG-SG 2.77Å; A442-C444 PolarHBondContact O-N 3.42Å; A442-C444 VanDerWaalsContact O-N 3.13Å; C444-G446 PolarHBondContact O-N 3.33Å
445	L	81.1	Confident	63.5	Low	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-84.4	-2.8	-175.1	-53.5	176.8	0	0	0	113.2	L241 N242 V243 D332 M364 F393 F436 L437 A442 S443	L241-L445 HydrophobicContact CB-CB 4.32Å; L241-L445 HydrophobicContact CD2-CB 4.08Å; N242-L445 PolarHBondContact N-O 3Å; N242-L445 VanDerWaalsContact O-CA 3.32Å; N242-L445 WeakPolarHBondContact O-CA 3.45Å; N242-L445 WeakPolarHBondContact O-CD2 3.45Å; V243-L445 HydrophobicContact CB-CD2 4.37Å; V243-L445 HydrophobicContact CG1-CD2 4.48Å; V243-L445 HydrophobicContact CG2-CD2 3.91Å; D332-L445 HydrophobicContact CB-CD2 4.22Å; M364-L445 HydrophobicContact CG-CD1 4.35Å; M364-L445 HydrophobicContact CG-CD2 4.32Å; M364-L445 HydrophobicContact SD-CD2 4.4Å; F393-L445 HydrophobicContact CE1-CD1 3.8Å; F436-L445 HydrophobicContact CE1-CD1 4.5Å; L437-L445 HydrophobicContact CD2-CD1 4.09Å; A442-L445 PolarHBondContact O-N 3.49Å; A442-L445 VanDerWaalsContact O-N 3.09Å; S443-L445 VanDerWaalsContact C-N 3.27Å; S443-L445 PolarHBondContact O-N 3.32Å
446	G	68.4	Low	61.9	Low	28 Å²	28	71.8 Å²	71.8	29%	0.289	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-93.9	-5	-172.4	0	0	0	0	0	114.7	C444	C444-G446 PolarHBondContact O-N 3.33Å
447	D	69.4	Low	60.5	Low	31 Å²	31	73.9 Å²	73.9	17%	0.166	40%	0.398	C	S	.	.	S	Bend	trans	-87.4	148.6	169.6	43.8	-43	0	0	0	113.8	R230 N242	R230-D447 IonicContact CZ-OD2 2.88Å; R230-D447 IonicContact NH1-OD1 2.77Å; R230-D447 IonicContact NH1-OD2 3.72Å; R230-D447 PolarHBondContact NH1-OD2 3.39Å; R230-D447 IonicContact NH2-OD2 2.75Å; N242-D447 PolarHBondContact ND2-O 2.89Å; N242-D447 VanDerWaalsContact ND2-O 3.16Å
448	E	62.8	Low	59.2	Low	154 Å²	154	74.2 Å²	74.2	72%	0.72	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-79.4	133.6	168.3	-69.5	-175.4	165.6	0	0	108.4	K450	E448-K450 PolarHBondContact O-N 2.8Å; E448-K450 VanDerWaalsContact O-N 3.15Å
449	P	60.5	Low	58.6	Low	24 Å²	24	80.1 Å²	80.1	16%	0.156	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-60.3	121.5	-176.1	21.1	-31.2	0	0	0	110.3	E244 Q451	E244-P449 HydrophobicContact CG-CB 4.25Å; E244-P449 WeakPolarHBondContact OE1-CA 3.45Å; E244-P449 WeakPolarHBondContact OE1-CB 3.41Å; P449-Q451 PolarHBondContact O-N 2.62Å
450	K	49.9	Very low	58.4	Low	176 Å²	176	80.7 Å²	80.7	77%	0.765	42%	0.42	S	S	*	.	S	Bend	trans	-66.1	-4.3	-172.8	-77.6	-172	173.3	-170.7	0	114.4	E448	E448-K450 PolarHBondContact O-N 2.8Å; E448-K450 VanDerWaalsContact O-N 3.15Å
451	Q	48.9	Very low	58.7	Low	100 Å²	100	78.3 Å²	78.3	47%	0.467	40%	0.396	S	S	.	.			trans	-117.7	83.7	178.4	-61.5	-171.2	19.3	0	0	109.2	P449 G453	P449-Q451 PolarHBondContact O-N 2.62Å; Q451-G453 PolarHBondContact O-N 3.22Å
452	I	38.6	Very low	58.9	Low	147 Å²	147	75.5 Å²	75.5	75%	0.754	38%	0.383	S	S	*	.			trans	-75.5	82.1	170.9	-57.7	172.4	0	0	0	108.1
453	G	41.2	Very low	58.8	Low	51 Å²	51	75.8 Å²	75.8	53%	0.526	39%	0.386	S	S	.	.			trans	-132.9	67.4	156.1	0	0	0	0	0	106.5	Q451 Y455	Q451-G453 PolarHBondContact O-N 3.22Å; G453-Y455 PolarHBondContact O-N 3.4Å
454	Q	37.9	Very low	58.9	Low	159 Å²	159	76.9 Å²	76.9	74%	0.743	38%	0.383	S	S	*	.			trans	-56.1	104.4	175.1	-81.3	179.5	-8.1	0	0	107.8	K456	Q454-K456 PolarHBondContact O-N 2.99Å
455	Y	44	Very low	58.6	Low	97 Å²	97	78.8 Å²	78.8	38%	0.38	39%	0.393	S	S	.	.			trans	-56.3	108.1	165.1	177.9	-93.9	0	0	0	106.4	L267 G453 Y457	L267-Y455 HydrophobicContact CB-CE1 4.03Å; L267-Y455 HydrophobicContact CD1-CD1 4.17Å; L267-Y455 HydrophobicContact CD1-CE1 3.58Å; L267-Y455 HydrophobicContact CD1-CE2 3.98Å; L267-Y455 VanDerWaalsContact CD1-CZ 3.47Å; L267-Y455 HydrophobicContact CD2-CD1 4.37Å; L267-Y455 HydrophobicContact CD2-CE1 4.4Å; L267-Y455 HydrophobicContact CG-CE1 4.21Å; G453-Y455 PolarHBondContact O-N 3.4Å; Y455-Y457 HydrophobicContact CD1-CD1 4.26Å; Y455-Y457 HydrophobicContact CE1-CD1 4.38Å; Y455-Y457 PolarHBondContact O-N 3.24Å
456	K	42.4	Very low	58.6	Low	179 Å²	179	80.2 Å²	80.2	78%	0.778	40%	0.398	S	S	*	.			trans	-68.4	109.2	173	-83.3	-174.7	176.1	-178.2	0	106.4	Q454	Q454-K456 PolarHBondContact O-N 2.99Å
457	Y	50	Low	59.1	Low	52 Å²	52	82.7 Å²	82.7	20%	0.204	41%	0.405	C	S	.	.			trans	-49.2	148	168.9	-61.8	-74.5	0	0	0	109.6	L267 N271 Y455 E459	L267-Y457 WeakPolarHBondContact O-CD1 3.29Å; L267-Y457 WeakPolarHBondContact O-CE1 3.36Å; N271-Y457 HydrophobicContact CB-CD1 3.42Å; N271-Y457 VanDerWaalsContact CB-CD1 3.42Å; N271-Y457 HydrophobicContact CB-CD2 4.32Å; N271-Y457 HydrophobicContact CB-CE1 3.81Å; N271-Y457 HydrophobicContact CB-CG 3.69Å; N271-Y457 VanDerWaalsContact CG-CG 3.47Å; N271-Y457 WeakPolarHBondContact OD1-CD2 3.41Å; Y455-Y457 HydrophobicContact CD1-CD1 4.26Å; Y455-Y457 HydrophobicContact CE1-CD1 4.38Å; Y455-Y457 PolarHBondContact O-N 3.24Å; Y457-E459 PolarHBondContact O-N 2.92Å
458	P	52.3	Low	59.7	Low	36 Å²	36	81.5 Å²	81.5	23%	0.234	40%	0.4	C	S	.	.			trans	-48.3	127.8	175.4	-24.6	32.2	0	0	0	110.3	Q460 L465	P458-Q460 PolarHBondContact O-N 2.86Å; P458-Q460 VanDerWaalsContact O-N 3.15Å; P458-L465 HydrophobicContact CB-CD1 4.09Å; P458-L465 HydrophobicContact CG-CD1 4.23Å
459	E	52.7	Low	60.6	Low	152 Å²	152	77.6 Å²	77.6	71%	0.71	38%	0.383	S	S	*	.	S	Bend	trans	-62.5	-18.6	174	-69.2	-171	168.8	0	0	111.3	R118 Y457	R118-E459 IonicContact NH2-OE2 3.25Å; R118-E459 PolarHBondContact NH2-OE2 3.26Å; Y457-E459 PolarHBondContact O-N 2.92Å
460	Q	63.8	Low	61.7	Low	71 Å²	71	78.4 Å²	78.4	33%	0.332	39%	0.388	S	S	.	.	S	Bend	trans	-73.3	136.3	176.3	-63.8	170.2	6.1	0	0	110.5	R153 P458 Q464 L465	R153-Q460 VanDerWaalsContact NH2-CG 3.33Å; P458-Q460 PolarHBondContact O-N 2.86Å; P458-Q460 VanDerWaalsContact O-N 3.15Å; Q460-Q464 HydrophobicContact CB-CB 4.5Å; Q460-L465 HydrophobicContact CB-CD2 4.29Å; Q460-L465 HydrophobicContact CB-CG 4.21Å
461	L	69.1	Low	63.3	Low	38 Å²	38	70.4 Å²	70.4	20%	0.199	35%	0.353	C	S	.	.			trans	-70.1	152.6	177.1	-59	176.9	0	0	0	110.8	G463 Q464 L465 E513 W522	L461-G463 PolarHBondContact O-N 2.63Å; L461-G463 VanDerWaalsContact O-N 3.12Å; L461-Q464 HydrophobicContact CB-CG 4.37Å; L461-Q464 WeakPolarHBondContact O-CB 3.07Å; L461-Q464 PolarHBondContact O-N 2.89Å; L461-L465 PolarHBondContact O-N 3.4Å; L461-E513 WeakPolarHBondContact CB-O 3.45Å; L461-E513 HydrophobicContact CD1-CB 4.37Å; L461-W522 HydrophobicContact CD1-CE3 3.84Å; L461-W522 HydrophobicContact CD1-CH2 3.7Å; L461-W522 HydrophobicContact CD1-CZ3 3.23Å; L461-W522 HydrophobicContact CG-CZ3 4.15Å
462	P	72.9	Confident	64.9	Low	11 Å²	11	65.6 Å²	65.6	7%	0.071	33%	0.331	C	S	.	.	H	α-helix	trans	-53.7	-36.8	-177.6	-26.8	34.3	0	0	0	114.2	T268 M272 L379 Q464 L465 Y466 A512	T268-P462 HydrophobicContact CG2-CB 3.7Å; T268-P462 HydrophobicContact CG2-CG 3.76Å; M272-P462 HydrophobicContact CG-CG 3.87Å; M272-P462 HydrophobicContact SD-CB 4.16Å; M272-P462 HydrophobicContact SD-CG 3.87Å; L379-P462 HydrophobicContact CD1-CB 4.33Å; P462-Q464 VanDerWaalsContact C-N 3.3Å; P462-Q464 PolarHBondContact O-N 3.1Å; P462-L465 PolarHBondContact O-N 2.96Å; P462-Y466 WeakPolarHBondContact O-CD2 3.46Å; P462-Y466 PolarHBondContact O-N 3.17Å; P462-A512 HydrophobicContact CB-CB 4.17Å
463	G	75	Confident	67	Low	5 Å²	5	63.7 Å²	63.7	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-76.9	-9.5	177.6	0	0	0	0	0	115.3	L461 Y466 E513 T515	L461-G463 PolarHBondContact O-N 2.63Å; L461-G463 VanDerWaalsContact O-N 3.12Å; G463-Y466 WeakPolarHBondContact CA-O 3.46Å; G463-E513 WeakPolarHBondContact CA-O 3.42Å; G463-E513 PolarHBondContact N-O 3.14Å; G463-T515 WeakPolarHBondContact CA-OG1 3.4Å
464	Q	76.1	Confident	68.8	Low	91 Å²	91	62.9 Å²	62.9	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-85.1	-28.8	167.2	-64.5	-176.6	-17.3	0	0	111.8	Q460 L461 P462	Q460-Q464 HydrophobicContact CB-CB 4.5Å; L461-Q464 HydrophobicContact CB-CG 4.37Å; L461-Q464 WeakPolarHBondContact O-CB 3.07Å; L461-Q464 PolarHBondContact O-N 2.89Å; P462-Q464 VanDerWaalsContact C-N 3.3Å; P462-Q464 PolarHBondContact O-N 3.1Å
465	L	72.9	Confident	70.6	Confident	53 Å²	53	56.3 Å²	56.3	28%	0.277	27%	0.268	S	S	.	.	H	α-helix	trans	-79.9	-36.3	174.8	-66.9	170.3	0	0	0	111.2	T268 P458 Q460 L461 P462	T268-L465 HydrophobicContact CG2-CD1 4.49Å; P458-L465 HydrophobicContact CB-CD1 4.09Å; P458-L465 HydrophobicContact CG-CD1 4.23Å; Q460-L465 HydrophobicContact CB-CD2 4.29Å; Q460-L465 HydrophobicContact CB-CG 4.21Å; L461-L465 PolarHBondContact O-N 3.4Å; P462-L465 PolarHBondContact O-N 2.96Å
466	Y	80.8	Confident	72.2	Confident	30 Å²	30	53.2 Å²	53.2	12%	0.118	26%	0.256	C	S	.	.	S	Bend	trans	-130.3	110.2	-173.7	-48.5	-60.8	0	0	0	110.7	Y265 T268 L379 P462 G463 T470 Q471 W474	Y265-Y466 PolarHBondContact N-OH 2.92Å; T268-Y466 HydrophobicContact CG2-CE2 3.96Å; L379-Y466 HydrophobicContact CD1-CD2 4.28Å; L379-Y466 HydrophobicContact CD2-CD2 4.17Å; L379-Y466 HydrophobicContact CD2-CE2 4.42Å; P462-Y466 WeakPolarHBondContact O-CD2 3.46Å; P462-Y466 PolarHBondContact O-N 3.17Å; G463-Y466 WeakPolarHBondContact CA-O 3.46Å; Y466-T470 HydrophobicContact CD1-CG2 4.4Å; Y466-Q471 PolarHBondContact O-NE2 3.4Å; Y466-W474 AromaticContact CD1-CH2 3.25Å; Y466-W474 HydrophobicContact CD1-CH2 3.25Å; Y466-W474 AromaticContact CD1-CZ2 3.99Å; Y466-W474 HydrophobicContact CD1-CZ2 3.99Å; Y466-W474 HydrophobicContact CD1-CZ3 4.07Å; Y466-W474 AromaticContact CD2-CH2 3.78Å; Y466-W474 HydrophobicContact CD2-CH2 3.78Å; Y466-W474 AromaticContact CD2-CZ3 3.93Å; Y466-W474 HydrophobicContact CD2-CZ3 3.93Å; Y466-W474 AromaticContact CE1-CH2 3.53Å; Y466-W474 HydrophobicContact CE1-CH2 3.53Å; Y466-W474 HydrophobicContact CE1-CZ2 4.15Å; Y466-W474 HydrophobicContact CE2-CH2 4.02Å; Y466-W474 HydrophobicContact CE2-CZ3 4.45Å; Y466-W474 AromaticContact CG-CH2 3.37Å; Y466-W474 HydrophobicContact CG-CH2 3.37Å; Y466-W474 HydrophobicContact CG-CZ2 4.45Å; Y466-W474 AromaticContact CG-CZ3 3.7Å; Y466-W474 HydrophobicContact CG-CZ3 3.7Å; Y466-W474 AromaticContact CZ-CH2 3.91Å
467	D	80.6	Confident	73.8	Confident	79 Å²	79	46 Å²	46	42%	0.422	23%	0.233	S	C	.	.			trans	-68	171	178.2	64.9	11.6	0	0	0	112.8	D469 T470 Q471	D467-D469 VanDerWaalsContact C-N 3.27Å; D467-D469 PolarHBondContact O-N 3.19Å; D467-T470 PolarHBondContact O-N 2.95Å; D467-T470 WeakPolarHBondContact OD1-CB 3.5Å; D467-T470 PolarHBondContact OD1-N 3.44Å; D467-T470 PolarHBondContact OD1-OG1 2.82Å; D467-Q471 WeakPolarHBondContact O-CG 3.48Å; D467-Q471 PolarHBondContact O-N 2.05Å; D467-Q471 PolarHBondContact O-NE2 3.15Å
468	A	82.1	Confident	75	Confident	7 Å²	7	47.7 Å²	47.7	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-34.1	-176.9	0	0	0	0	0	112.9	Q471 C472 L482 I491 L495 T515	A468-Q471 PolarHBondContact O-N 2.88Å; A468-C472 PolarHBondContact O-N 3.06Å; A468-L482 HydrophobicContact CB-CB 4.45Å; A468-L482 HydrophobicContact CB-CD1 4.19Å; A468-L482 HydrophobicContact CB-CD2 3.98Å; A468-L482 HydrophobicContact CB-CG 4.44Å; A468-I491 HydrophobicContact CB-CD1 4.01Å; A468-L495 HydrophobicContact CB-CD1 4.22Å; A468-T515 HydrophobicContact CB-CG2 3.91Å
469	D	81.9	Confident	76.2	Confident	71 Å²	71	52.1 Å²	52.1	38%	0.38	27%	0.27	S	S	.	.	H	α-helix	trans	-68	-41.6	177	-75.5	-35.9	0	0	0	111.5	D467 Q471 C472 K473 L482	D467-D469 VanDerWaalsContact C-N 3.27Å; D467-D469 PolarHBondContact O-N 3.19Å; D469-Q471 VanDerWaalsContact C-N 3.34Å; D469-Q471 PolarHBondContact O-N 2.75Å; D469-C472 PolarHBondContact O-N 2.92Å; D469-K473 WeakPolarHBondContact O-CB 3.21Å; D469-K473 PolarHBondContact O-N 2.77Å; D469-L482 WeakPolarHBondContact OD1-CB 3.4Å; D469-L482 PolarHBondContact OD1-N 2.92Å
470	T	82.9	Confident	77.5	Confident	41 Å²	41	45.1 Å²	45.1	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-41	174.2	-59.5	0	0	0	0	111.2	Y466 D467 C472 K473 W474	Y466-T470 HydrophobicContact CD1-CG2 4.4Å; D467-T470 PolarHBondContact O-N 2.95Å; D467-T470 WeakPolarHBondContact OD1-CB 3.5Å; D467-T470 PolarHBondContact OD1-N 3.44Å; D467-T470 PolarHBondContact OD1-OG1 2.82Å; T470-C472 PolarHBondContact O-N 2.83Å; T470-K473 WeakPolarHBondContact O-CB 3.24Å; T470-K473 PolarHBondContact O-N 3.03Å; T470-W474 HydrophobicContact CG2-CD2 4.05Å; T470-W474 HydrophobicContact CG2-CE3 4.29Å; T470-W474 HydrophobicContact CG2-CH2 3.86Å; T470-W474 HydrophobicContact CG2-CZ2 3.52Å; T470-W474 HydrophobicContact CG2-CZ3 4.19Å; T470-W474 PolarHBondContact O-N 3.18Å; T470-W474 VanDerWaalsContact O-N 3.14Å
471	Q	83.3	Confident	78.4	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-42	174.9	-67.7	173.4	57.2	0	0	111.8	L379 Y466 D467 A468 D469 W474 Q475 L495 T515	L379-Q471 HydrophobicContact CD1-CG 3.88Å; Y466-Q471 PolarHBondContact O-NE2 3.4Å; D467-Q471 WeakPolarHBondContact O-CG 3.48Å; D467-Q471 PolarHBondContact O-N 2.05Å; D467-Q471 PolarHBondContact O-NE2 3.15Å; A468-Q471 PolarHBondContact O-N 2.88Å; D469-Q471 VanDerWaalsContact C-N 3.34Å; D469-Q471 PolarHBondContact O-N 2.75Å; Q471-W474 PolarHBondContact O-N 3.26Å; Q471-Q475 PolarHBondContact O-N 3.19Å; Q471-L495 HydrophobicContact CB-CD2 3.55Å; Q471-T515 PolarHBondContact NE2-OG1 3.34Å
472	C	81.9	Confident	79.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-41.1	174.1	-80.6	0	0	0	0	112.8	A468 D469 T470 W474 Q475 F476 A480 C497	A468-C472 PolarHBondContact O-N 3.06Å; D469-C472 PolarHBondContact O-N 2.92Å; T470-C472 PolarHBondContact O-N 2.83Å; C472-W474 PolarHBondContact O-N 3.43Å; C472-Q475 PolarHBondContact O-N 2.97Å; C472-F476 PolarHBondContact O-N 3.36Å; C472-A480 HydrophobicContact CB-CB 4.38Å; C472-A480 WeakPolarHBondContact O-CB 3.47Å; C472-C497 WeakPolarHBondContact CA-SG 3.36Å; C472-C497 HydrophobicContact CB-CB 3.67Å; C472-C497 WeakPolarHBondContact CB-SG 3.35Å; C472-C497 VanDerWaalsContact SG-CA 3.58Å; C472-C497 WeakPolarHBondContact SG-CB 3.43Å; C472-C497 CovalentContact SG-SG 2.04Å; C472-C497 PolarHBondContact SG-SG 2.98Å
473	K	83.9	Confident	79.4	Confident	106 Å²	106	50.1 Å²	50.1	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-56.7	-39.7	176.6	-168.6	-168.5	174.6	-177.1	0	111.9	D469 T470 G477	D469-K473 WeakPolarHBondContact O-CB 3.21Å; D469-K473 PolarHBondContact O-N 2.77Å; T470-K473 WeakPolarHBondContact O-CB 3.24Å; T470-K473 PolarHBondContact O-N 3.03Å; K473-G477 WeakPolarHBondContact CA-O 3.36Å; K473-G477 CarbonylContact O-C 3.48Å; K473-G477 WeakPolarHBondContact O-CA 3.45Å; K473-G477 PolarHBondContact O-N 3.09Å; K473-G477 VanDerWaalsContact O-O 3.07Å
474	W	79	Confident	79.1	Confident	35 Å²	35	53 Å²	53	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-75.9	-32.6	-179.8	-64.7	-30.1	0	0	0	113.8	H257 Y265 L379 Y466 T470 Q471 C472	H257-W474 AromaticContact CE1-CD1 3.88Å; H257-W474 AromaticContact CE1-CE2 3.97Å; H257-W474 AromaticContact CE1-NE1 3.76Å; H257-W474 AromaticContact ND1-CE2 3.89Å; H257-W474 AromaticContact ND1-NE1 3.59Å; Y265-W474 AromaticContact CD2-CH2 3.78Å; Y265-W474 HydrophobicContact CD2-CH2 3.78Å; Y265-W474 HydrophobicContact CD2-CZ2 4.21Å; Y265-W474 HydrophobicContact CD2-CZ3 4.07Å; Y265-W474 HydrophobicContact CE2-CE3 4.16Å; Y265-W474 HydrophobicContact CE2-CH2 4.05Å; Y265-W474 AromaticContact CE2-CZ3 3.88Å; Y265-W474 HydrophobicContact CE2-CZ3 3.88Å; L379-W474 HydrophobicContact CD1-CZ3 4.32Å; L379-W474 HydrophobicContact CD2-CZ3 4.12Å; L379-W474 HydrophobicContact CG-CE3 4.34Å; L379-W474 HydrophobicContact CG-CZ3 3.95Å; Y466-W474 AromaticContact CD1-CH2 3.25Å; Y466-W474 HydrophobicContact CD1-CH2 3.25Å; Y466-W474 AromaticContact CD1-CZ2 3.99Å; Y466-W474 HydrophobicContact CD1-CZ2 3.99Å; Y466-W474 HydrophobicContact CD1-CZ3 4.07Å; Y466-W474 AromaticContact CD2-CH2 3.78Å; Y466-W474 HydrophobicContact CD2-CH2 3.78Å; Y466-W474 AromaticContact CD2-CZ3 3.93Å; Y466-W474 HydrophobicContact CD2-CZ3 3.93Å; Y466-W474 AromaticContact CE1-CH2 3.53Å; Y466-W474 HydrophobicContact CE1-CH2 3.53Å; Y466-W474 HydrophobicContact CE1-CZ2 4.15Å; Y466-W474 HydrophobicContact CE2-CH2 4.02Å; Y466-W474 HydrophobicContact CE2-CZ3 4.45Å; Y466-W474 AromaticContact CG-CH2 3.37Å; Y466-W474 HydrophobicContact CG-CH2 3.37Å; Y466-W474 HydrophobicContact CG-CZ2 4.45Å; Y466-W474 AromaticContact CG-CZ3 3.7Å; Y466-W474 HydrophobicContact CG-CZ3 3.7Å; Y466-W474 AromaticContact CZ-CH2 3.91Å; T470-W474 HydrophobicContact CG2-CD2 4.05Å; T470-W474 HydrophobicContact CG2-CE3 4.29Å; T470-W474 HydrophobicContact CG2-CH2 3.86Å; T470-W474 HydrophobicContact CG2-CZ2 3.52Å; T470-W474 HydrophobicContact CG2-CZ3 4.19Å; T470-W474 PolarHBondContact O-N 3.18Å; T470-W474 VanDerWaalsContact O-N 3.14Å; Q471-W474 PolarHBondContact O-N 3.26Å; C472-W474 PolarHBondContact O-N 3.43Å
475	Q	75	Confident	78.1	Confident	21 Å²	21	55 Å²	55	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-80.4	-38.4	-179.1	-73	-176.8	-3	0	0	114	Q471 C472	Q471-Q475 PolarHBondContact O-N 3.19Å; C472-Q475 PolarHBondContact O-N 2.97Å
476	F	76.6	Confident	77.1	Confident	31 Å²	31	59.8 Å²	59.8	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-122.9	1.8	-170.4	-62.4	-82.9	0	0	0	114.2	C472 A480 C497 R499 E505 K507	C472-F476 PolarHBondContact O-N 3.36Å; F476-A480 HydrophobicContact CB-CB 3.62Å; F476-C497 HydrophobicContact CD2-CB 3.44Å; F476-C497 VanDerWaalsContact CD2-CB 3.44Å; F476-C497 HydrophobicContact CE2-CB 3.67Å; F476-C497 HydrophobicContact CG-CB 4.3Å; F476-R499 PolarHBondContact O-NE 3.13Å; F476-R499 PolarHBondContact O-NH2 3.11Å; F476-E505 HydrophobicContact CE1-CB 3.91Å; F476-E505 HydrophobicContact CZ-CB 4.23Å; F476-K507 HydrophobicContact CE1-CG 4.16Å; F476-K507 HydrophobicContact CZ-CG 3.82Å
477	G	75.9	Confident	75.6	Confident	28 Å²	28	64.1 Å²	64.1	29%	0.289	35%	0.348	S	S	.	.			trans	101.5	175	175.6	0	0	0	0	0	114.3	K473 Q479 A480	K473-G477 WeakPolarHBondContact CA-O 3.36Å; K473-G477 CarbonylContact O-C 3.48Å; K473-G477 WeakPolarHBondContact O-CA 3.45Å; K473-G477 PolarHBondContact O-N 3.09Å; K473-G477 VanDerWaalsContact O-O 3.07Å; G477-Q479 PolarHBondContact O-N 3.22Å; G477-A480 WeakPolarHBondContact O-CB 2.98Å; G477-A480 PolarHBondContact O-N 3.08Å
478	S	75.2	Confident	74.2	Confident	88 Å²	88	65.3 Å²	65.3	62%	0.615	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.9	-167.2	59	0	0	0	0	116.4
479	Q	77.7	Confident	72.9	Confident	129 Å²	129	73.9 Å²	73.9	60%	0.603	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	0.1	-178.1	-59.4	-61.5	-40.4	0	0	113.6	G477 V500	G477-Q479 PolarHBondContact O-N 3.22Å; Q479-V500 HydrophobicContact CB-CG2 4.21Å
480	A	81.1	Confident	72.2	Confident	4 Å²	4	74 Å²	74	3%	0.033	40%	0.395	C	S	.	.			trans	-83.8	139.8	-178.8	0	0	0	0	0	111.8	C472 F476 G477 H498	C472-A480 HydrophobicContact CB-CB 4.38Å; C472-A480 WeakPolarHBondContact O-CB 3.47Å; F476-A480 HydrophobicContact CB-CB 3.62Å; G477-A480 WeakPolarHBondContact O-CB 2.98Å; G477-A480 PolarHBondContact O-N 3.08Å; A480-H498 WeakPolarHBondContact CA-O 3.35Å
481	K	82.6	Confident	72	Confident	139 Å²	139	73 Å²	73	60%	0.604	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.1	176.9	-65.9	-171.8	178.8	-175.6	0	111	C483 C497 H498	K481-C483 PolarHBondContact O-N 3.09Å; K481-C497 CarbonylContact O-C 3.51Å; K481-C497 VanDerWaalsContact O-CA 3.3Å; K481-C497 WeakPolarHBondContact O-CA 3.36Å; K481-H498 PolarHBondContact N-O 3.16Å; K481-H498 PolarHBondContact O-N 2.82Å
482	L	82.9	Confident	71.8	Confident	70 Å²	70	72.8 Å²	72.8	37%	0.366	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	134	174.5	-177.8	67	0	0	0	110.9	A468 D469 G484 I491 L495	A468-L482 HydrophobicContact CB-CB 4.45Å; A468-L482 HydrophobicContact CB-CD1 4.19Å; A468-L482 HydrophobicContact CB-CD2 3.98Å; A468-L482 HydrophobicContact CB-CG 4.44Å; D469-L482 WeakPolarHBondContact OD1-CB 3.4Å; D469-L482 PolarHBondContact OD1-N 2.92Å; L482-G484 PolarHBondContact O-N 2.91Å; L482-I491 HydrophobicContact CD1-CD1 3.83Å; L482-I491 HydrophobicContact CD1-CG1 4.37Å; L482-I491 HydrophobicContact CD2-CD1 3.93Å; L482-L495 HydrophobicContact CD1-CD1 4Å
483	C	80.6	Confident	71.5	Confident	17 Å²	17	75.7 Å²	75.7	12%	0.115	40%	0.399	C	S	.	.			trans	-68.8	122.1	176.3	-176	0	0	0	0	110.8	K481 W496 C504	K481-C483 PolarHBondContact O-N 3.09Å; C483-W496 HydrophobicContact CB-CB 4.06Å; C483-W496 VanDerWaalsContact CB-O 3.31Å; C483-W496 WeakPolarHBondContact CB-O 3.25Å; C483-W496 PolarHBondContact N-O 3.17Å; C483-C504 HydrophobicContact CB-CB 3.76Å; C483-C504 WeakPolarHBondContact CB-SG 3.04Å; C483-C504 WeakPolarHBondContact SG-CB 3.43Å; C483-C504 CovalentContact SG-SG 2.03Å; C483-C504 PolarHBondContact SG-SG 3.12Å
484	G	67.9	Low	71.2	Confident	64 Å²	64	72 Å²	72	66%	0.66	39%	0.387	S	S	*	.			trans	-107.7	93.1	177.4	0	0	0	0	0	111.8	L482	L482-G484 PolarHBondContact O-N 2.91Å
485	L	55.4	Low	71.2	Confident	133 Å²	133	70.3 Å²	70.3	70%	0.696	38%	0.381	S	S	*	.	S	Bend	trans	177.9	124	159.8	-94.6	149.8	0	0	0	108.7	F487	L485-F487 WeakPolarHBondContact O-CD2 3.44Å; L485-F487 PolarHBondContact O-N 2.95Å
486	D	50.7	Low	71.5	Confident	154 Å²	154	73 Å²	73	82%	0.824	39%	0.39	S	S	*	.	S	Bend	trans	48.5	-8.8	169	-66	-25.4	0	0	0	121.8	V488	D486-V488 VanDerWaalsContact C-N 3.29Å; D486-V488 PolarHBondContact O-N 3.27Å
487	F	50.7	Low	71.8	Confident	122 Å²	122	71.7 Å²	71.7	54%	0.535	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-86	4.2	174.4	-64.8	-76.8	0	0	0	114	L485 K489 D490	L485-F487 WeakPolarHBondContact O-CD2 3.44Å; L485-F487 PolarHBondContact O-N 2.95Å; F487-K489 PolarHBondContact O-N 2.75Å; F487-D490 PolarHBondContact O-N 3.42Å
488	V	50.9	Low	72.2	Confident	104 Å²	104	73.1 Å²	73.1	63%	0.63	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-57.5	-18.5	-178.7	-179.3	0	0	0	0	112.7	D486 D490	D486-V488 VanDerWaalsContact C-N 3.29Å; D486-V488 PolarHBondContact O-N 3.27Å; V488-D490 VanDerWaalsContact C-N 3.28Å; V488-D490 PolarHBondContact O-N 2.64Å
489	K	54.1	Low	72.3	Confident	187 Å²	187	76 Å²	76	81%	0.813	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-71.2	-14.6	-178.3	-80.8	-175.3	176.2	176.8	0	115.3	F487	F487-K489 PolarHBondContact O-N 2.75Å
490	D	68.3	Low	71.4	Confident	74 Å²	74	75.6 Å²	75.6	40%	0.396	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-150.9	37.5	-176.5	-81.4	-42.3	0	0	0	115	F487 V488 C492 K493 S494	F487-D490 PolarHBondContact O-N 3.42Å; V488-D490 VanDerWaalsContact C-N 3.28Å; V488-D490 PolarHBondContact O-N 2.64Å; D490-C492 PolarHBondContact O-N 3.43Å; D490-K493 HydrophobicContact CB-CB 4.15Å; D490-K493 HydrophobicContact CB-CD 3.87Å; D490-K493 HydrophobicContact CB-CG 4.01Å; D490-K493 VanDerWaalsContact CG-CD 3.46Å; D490-K493 VanDerWaalsContact CG-CE 3.45Å; D490-K493 PolarHBondContact O-N 2.66Å; D490-K493 WeakPolarHBondContact OD1-CD 3.22Å; D490-K493 WeakPolarHBondContact OD1-CE 3.3Å; D490-K493 IonicContact OD1-NZ 2.87Å; D490-K493 PolarHBondContact OD1-NZ 2.92Å; D490-K493 IonicContact OD2-NZ 3.24Å; D490-K493 PolarHBondContact OD2-NZ 3.41Å; D490-S494 PolarHBondContact O-N 2.88Å
491	I	78.9	Confident	70.2	Confident	20 Å²	20	77.8 Å²	77.8	10%	0.103	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.8	171.9	-173.7	175.1	0	0	0	112.7	A468 L482 K493 S494 L495 A511 C517	A468-I491 HydrophobicContact CB-CD1 4.01Å; L482-I491 HydrophobicContact CD1-CD1 3.83Å; L482-I491 HydrophobicContact CD1-CG1 4.37Å; L482-I491 HydrophobicContact CD2-CD1 3.93Å; I491-K493 VanDerWaalsContact C-N 3.31Å; I491-K493 PolarHBondContact O-N 3.41Å; I491-S494 CarbonylContact O-C 3.57Å; I491-L495 HydrophobicContact CG1-CD1 4.3Å; I491-A511 HydrophobicContact CG1-CB 4.05Å; I491-A511 VanDerWaalsContact O-CB 3.23Å; I491-A511 WeakPolarHBondContact O-CB 3.34Å; I491-A511 PolarHBondContact O-N 2.96Å; I491-C517 HydrophobicContact CG2-CB 3.31Å
492	C	78.5	Confident	69	Low	2 Å²	2	79.9 Å²	79.9	1%	0.014	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	178.4	-50.9	0	0	0	0	113.3	D490 P510 C523 G526	D490-C492 PolarHBondContact O-N 3.43Å; C492-P510 WeakPolarHBondContact O-CB 3.26Å; C492-C523 WeakPolarHBondContact CA-SG 3.27Å; C492-C523 HydrophobicContact CB-CB 3.65Å; C492-C523 WeakPolarHBondContact CB-SG 3.08Å; C492-C523 WeakPolarHBondContact SG-CA 3.43Å; C492-C523 WeakPolarHBondContact SG-CB 3.28Å; C492-C523 CovalentContact SG-SG 2.04Å; C492-C523 PolarHBondContact SG-SG 2.93Å; C492-G526 VanDerWaalsContact CB-C 3.46Å; C492-G526 WeakPolarHBondContact CB-O 3.46Å; C492-G526 VanDerWaalsContact O-CA 3.32Å; C492-G526 WeakPolarHBondContact O-CA 3.22Å
493	K	76.4	Confident	68.5	Low	61 Å²	61	85.7 Å²	85.7	27%	0.265	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-38.2	176.9	-61	-175.1	-174.3	152.5	0	112.4	N420 D490 I491 G526	N420-K493 HydrophobicContact CB-CD 4.08Å; N420-K493 HydrophobicContact CB-CG 4.36Å; D490-K493 HydrophobicContact CB-CB 4.15Å; D490-K493 HydrophobicContact CB-CD 3.87Å; D490-K493 HydrophobicContact CB-CG 4.01Å; D490-K493 VanDerWaalsContact CG-CD 3.46Å; D490-K493 VanDerWaalsContact CG-CE 3.45Å; D490-K493 PolarHBondContact O-N 2.66Å; D490-K493 WeakPolarHBondContact OD1-CD 3.22Å; D490-K493 WeakPolarHBondContact OD1-CE 3.3Å; D490-K493 IonicContact OD1-NZ 2.87Å; D490-K493 PolarHBondContact OD1-NZ 2.92Å; D490-K493 IonicContact OD2-NZ 3.24Å; D490-K493 PolarHBondContact OD2-NZ 3.41Å; I491-K493 VanDerWaalsContact C-N 3.31Å; I491-K493 PolarHBondContact O-N 3.41Å; K493-G526 VanDerWaalsContact CG-O 3.23Å; K493-G526 WeakPolarHBondContact CG-O 3.19Å
494	S	76.3	Confident	68.3	Low	28 Å²	28	87 Å²	87	20%	0.196	45%	0.447	C	S	.	.			trans	-152.4	129.9	178.9	-55.7	0	0	0	0	110.8	D490 I491 W496 M509	D490-S494 PolarHBondContact O-N 2.88Å; I491-S494 CarbonylContact O-C 3.57Å; S494-W496 VanDerWaalsContact O-CD1 3.3Å; S494-M509 WeakPolarHBondContact CA-O 3.16Å
495	L	78.5	Confident	68.8	Low	0 Å²	0	88.2 Å²	88.2	0%	0	44%	0.436	C	S	.	.			trans	-82.3	119.6	175.2	-171.6	70.7	0	0	0	109.5	A468 Q471 L482 I491 T506 M509 A511	A468-L495 HydrophobicContact CB-CD1 4.22Å; Q471-L495 HydrophobicContact CB-CD2 3.55Å; L482-L495 HydrophobicContact CD1-CD1 4Å; I491-L495 HydrophobicContact CG1-CD1 4.3Å; L495-T506 WeakPolarHBondContact O-CB 3.23Å; L495-T506 PolarHBondContact O-OG1 2.98Å; L495-M509 PolarHBondContact N-O 2.86Å; L495-A511 HydrophobicContact CD1-CB 4.27Å
496	W	81.4	Confident	69.7	Low	79 Å²	79	83 Å²	83	30%	0.299	41%	0.409	S	S	.	.			trans	-109.1	122	178.7	-71.1	86	0	0	0	110.1	C483 S494 C504 T506	C483-W496 HydrophobicContact CB-CB 4.06Å; C483-W496 VanDerWaalsContact CB-O 3.31Å; C483-W496 WeakPolarHBondContact CB-O 3.25Å; C483-W496 PolarHBondContact N-O 3.17Å; S494-W496 VanDerWaalsContact O-CD1 3.3Å; W496-C504 HydrophobicContact CE3-CB 4.35Å; W496-T506 HydrophobicContact CD2-CG2 3.94Å; W496-T506 HydrophobicContact CE3-CG2 3.84Å; W496-T506 HydrophobicContact CH2-CG2 3.5Å; W496-T506 HydrophobicContact CZ2-CG2 3.58Å; W496-T506 HydrophobicContact CZ3-CG2 3.64Å
497	C	83.8	Confident	70.6	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.014	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.2	-173	-55.2	0	0	0	0	110.9	C472 F476 K481 C504 E505	C472-C497 WeakPolarHBondContact CA-SG 3.36Å; C472-C497 HydrophobicContact CB-CB 3.67Å; C472-C497 WeakPolarHBondContact CB-SG 3.35Å; C472-C497 VanDerWaalsContact SG-CA 3.58Å; C472-C497 WeakPolarHBondContact SG-CB 3.43Å; C472-C497 CovalentContact SG-SG 2.04Å; C472-C497 PolarHBondContact SG-SG 2.98Å; F476-C497 HydrophobicContact CD2-CB 3.44Å; F476-C497 VanDerWaalsContact CD2-CB 3.44Å; F476-C497 HydrophobicContact CE2-CB 3.67Å; F476-C497 HydrophobicContact CG-CB 4.3Å; K481-C497 CarbonylContact O-C 3.51Å; K481-C497 VanDerWaalsContact O-CA 3.3Å; K481-C497 WeakPolarHBondContact O-CA 3.36Å; C497-C504 CarbonylContact O-C 3.55Å; C497-C504 WeakPolarHBondContact O-CA 3.26Å; C497-E505 PolarHBondContact N-O 2.66Å; C497-E505 PolarHBondContact O-N 2.83Å
498	H	83.8	Confident	71.4	Confident	58 Å²	58	79.7 Å²	79.7	27%	0.269	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.8	178.6	177.4	86.9	0	0	0	110.5	A480 K481 H502	A480-H498 WeakPolarHBondContact CA-O 3.35Å; K481-H498 PolarHBondContact N-O 3.16Å; K481-H498 PolarHBondContact O-N 2.82Å; H498-H502 VanDerWaalsContact CE1-CA 3.48Å; H498-H502 WeakPolarHBondContact CE1-CA 3.21Å; H498-H502 PolarHBondContact CE1-N 3.46Å
499	R	77.8	Confident	72.4	Confident	150 Å²	150	75.5 Å²	75.5	57%	0.566	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.3	169.6	-144.4	179.4	-158.1	-154.5	3.8	108.3	F476 G501	F476-R499 PolarHBondContact O-NE 3.13Å; F476-R499 PolarHBondContact O-NH2 3.11Å; R499-G501 PolarHBondContact O-N 3.13Å
500	V	58.8	Low	73.5	Confident	119 Å²	119	67.6 Å²	67.6	72%	0.721	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.2	103.1	-173.6	-170.7	0	0	0	0	112.2	Q479	Q479-V500 HydrophobicContact CB-CG2 4.21Å
501	G	56.8	Low	74.2	Confident	51 Å²	51	64.2 Å²	64.2	53%	0.526	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.5	59.8	-178.5	0	0	0	0	0	115.7	R499 R503	R499-G501 PolarHBondContact O-N 3.13Å; G501-R503 PolarHBondContact O-N 3.4Å
502	H	56.9	Low	74.3	Confident	182 Å²	182	63.7 Å²	63.7	84%	0.843	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	6.3	159.6	-60.8	-68	0	0	0	122.2	H498	H498-H502 VanDerWaalsContact CE1-CA 3.48Å; H498-H502 WeakPolarHBondContact CE1-CA 3.21Å; H498-H502 PolarHBondContact CE1-N 3.46Å
503	R	71.8	Confident	74.3	Confident	193 Å²	193	66.4 Å²	66.4	73%	0.728	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.1	172.2	-69.4	179.4	70.5	164.6	-1	112.6	G501	G501-R503 PolarHBondContact O-N 3.4Å
504	C	77.4	Confident	74.3	Confident	44 Å²	44	63.6 Å²	63.6	30%	0.297	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.8	171.5	-61.9	0	0	0	0	109.6	C483 W496 C497	C483-C504 HydrophobicContact CB-CB 3.76Å; C483-C504 WeakPolarHBondContact CB-SG 3.04Å; C483-C504 WeakPolarHBondContact SG-CB 3.43Å; C483-C504 CovalentContact SG-SG 2.03Å; C483-C504 PolarHBondContact SG-SG 3.12Å; W496-C504 HydrophobicContact CE3-CB 4.35Å; C497-C504 CarbonylContact O-C 3.55Å; C497-C504 WeakPolarHBondContact O-CA 3.26Å
505	E	76.6	Confident	74.7	Confident	90 Å²	90	62.2 Å²	62.2	42%	0.421	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.1	-175	-63.5	177.6	176.5	0	0	109.1	F476 C497	F476-E505 HydrophobicContact CE1-CB 3.91Å; F476-E505 HydrophobicContact CZ-CB 4.23Å; C497-E505 PolarHBondContact N-O 2.66Å; C497-E505 PolarHBondContact O-N 2.83Å
506	T	74.4	Confident	74.8	Confident	22 Å²	22	66 Å²	66	14%	0.135	33%	0.325	C	S	.	.			trans	-141.4	147	178.1	-173	0	0	0	0	109.9	L495 W496 F508	L495-T506 WeakPolarHBondContact O-CB 3.23Å; L495-T506 PolarHBondContact O-OG1 2.98Å; W496-T506 HydrophobicContact CD2-CG2 3.94Å; W496-T506 HydrophobicContact CE3-CG2 3.84Å; W496-T506 HydrophobicContact CH2-CG2 3.5Å; W496-T506 HydrophobicContact CZ2-CG2 3.58Å; W496-T506 HydrophobicContact CZ3-CG2 3.64Å; T506-F508 VanDerWaalsContact C-N 3.33Å; T506-F508 HydrophobicContact CG2-CD1 4.22Å; T506-F508 HydrophobicContact CG2-CE1 4.21Å; T506-F508 HydrophobicContact CG2-CG 4.49Å; T506-F508 HydrophobicContact CG2-CZ 4.46Å; T506-F508 PolarHBondContact OG1-N 3.01Å; T506-F508 VanDerWaalsContact OG1-N 3.14Å
507	K	69.6	Low	74.7	Confident	78 Å²	78	62.9 Å²	62.9	34%	0.339	32%	0.315	S	S	.	.			trans	-96.4	18.4	168.4	-72.3	-172	172.3	-172.6	0	112	F476 M509	F476-K507 HydrophobicContact CE1-CG 4.16Å; F476-K507 HydrophobicContact CZ-CG 3.82Å; K507-M509 PolarHBondContact O-N 3.48Å; K507-M509 VanDerWaalsContact O-N 3.11Å
508	F	68.4	Low	74.3	Confident	129 Å²	129	63.9 Å²	63.9	57%	0.566	33%	0.326	S	S	*	.	S	Bend	trans	58.6	20.3	-177.9	-57.1	-79.1	0	0	0	114.9	T506	T506-F508 VanDerWaalsContact C-N 3.33Å; T506-F508 HydrophobicContact CG2-CD1 4.22Å; T506-F508 HydrophobicContact CG2-CE1 4.21Å; T506-F508 HydrophobicContact CG2-CG 4.49Å; T506-F508 HydrophobicContact CG2-CZ 4.46Å; T506-F508 PolarHBondContact OG1-N 3.01Å; T506-F508 VanDerWaalsContact OG1-N 3.14Å
509	M	71.6	Confident	73.9	Confident	17 Å²	17	66.6 Å²	66.6	8%	0.084	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-94.4	136.1	176.8	-67.7	-61.3	-70.9	0	0	110.9	F383 F423 S494 L495 K507	F383-M509 HydrophobicContact CD2-CE 3.36Å; F383-M509 HydrophobicContact CE2-CE 3.67Å; F383-M509 HydrophobicContact CG-CE 4.29Å; F423-M509 HydrophobicContact CZ-CE 4.38Å; F423-M509 HydrophobicContact CZ-SD 4.16Å; S494-M509 WeakPolarHBondContact CA-O 3.16Å; L495-M509 PolarHBondContact N-O 2.86Å; K507-M509 PolarHBondContact O-N 3.48Å; K507-M509 VanDerWaalsContact O-N 3.11Å
510	P	78	Confident	73.6	Confident	20 Å²	20	65.2 Å²	65.2	13%	0.13	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69	155.4	176.6	29.6	-35.3	0	0	0	111.8	F423 C492	F423-P510 HydrophobicContact CE2-CG 4.09Å; C492-P510 WeakPolarHBondContact O-CB 3.26Å
511	A	81.7	Confident	74.4	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.033	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.6	145	166.4	0	0	0	0	0	110.4	I491 L495 T515	I491-A511 HydrophobicContact CG1-CB 4.05Å; I491-A511 VanDerWaalsContact O-CB 3.23Å; I491-A511 WeakPolarHBondContact O-CB 3.34Å; I491-A511 PolarHBondContact O-N 2.96Å; L495-A511 HydrophobicContact CD1-CB 4.27Å; A511-T515 HydrophobicContact CB-CG2 4.17Å
512	A	81.3	Confident	75.5	Confident	8 Å²	8	61.3 Å²	61.3	7%	0.066	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-60.6	149.4	-176.9	0	0	0	0	0	112.9	L379 P462 G514 T515	L379-A512 HydrophobicContact CD1-CB 3.43Å; L379-A512 VanDerWaalsContact CD1-CB 3.43Å; P462-A512 HydrophobicContact CB-CB 4.17Å; A512-G514 PolarHBondContact O-N 3.33Å; A512-T515 PolarHBondContact N-OG1 3.13Å; A512-T515 VanDerWaalsContact O-CB 3.27Å; A512-T515 WeakPolarHBondContact O-CB 3.47Å; A512-T515 PolarHBondContact O-N 3.37Å; A512-T515 PolarHBondContact O-OG1 3.25Å
513	E	79.2	Confident	76.6	Confident	59 Å²	59	52.7 Å²	52.7	28%	0.276	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	128.4	175.6	-64.7	-72.6	128.5	0	0	110.3	L461 G463 C523 R524 R525	L461-E513 WeakPolarHBondContact CB-O 3.45Å; L461-E513 HydrophobicContact CD1-CB 4.37Å; G463-E513 WeakPolarHBondContact CA-O 3.42Å; G463-E513 PolarHBondContact N-O 3.14Å; E513-C523 CarbonylContact C-O 3.55Å; E513-R524 VanDerWaalsContact OE2-CA 3.29Å; E513-R524 WeakPolarHBondContact OE2-CA 3.31Å; E513-R524 WeakPolarHBondContact OE2-CD 3.37Å; E513-R524 IonicContact OE2-CZ 3.71Å; E513-R524 IonicContact OE2-NE 2.87Å; E513-R524 IonicContact OE2-NH1 3.07Å; E513-R525 WeakPolarHBondContact OE1-CA 3.32Å; E513-R525 PolarHBondContact OE1-N 3.41Å; E513-R525 PolarHBondContact OE2-N 3.01Å
514	G	76.9	Confident	76.8	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-2.9	-177.5	0	0	0	0	0	116	A512 C523	A512-G514 PolarHBondContact O-N 3.33Å; G514-C523 PolarHBondContact N-O 3.27Å
515	T	83.4	Confident	76.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.			trans	-63.4	136.1	175.7	-54.9	0	0	0	0	110.3	G463 A468 Q471 A511 A512 C517 W522 C523	G463-T515 WeakPolarHBondContact CA-OG1 3.4Å; A468-T515 HydrophobicContact CB-CG2 3.91Å; Q471-T515 PolarHBondContact NE2-OG1 3.34Å; A511-T515 HydrophobicContact CB-CG2 4.17Å; A512-T515 PolarHBondContact N-OG1 3.13Å; A512-T515 VanDerWaalsContact O-CB 3.27Å; A512-T515 WeakPolarHBondContact O-CB 3.47Å; A512-T515 PolarHBondContact O-N 3.37Å; A512-T515 PolarHBondContact O-OG1 3.25Å; T515-C517 PolarHBondContact O-N 3.5Å; T515-W522 CarbonylContact O-C 3.6Å; T515-W522 VanDerWaalsContact O-CA 3.24Å; T515-W522 WeakPolarHBondContact O-CA 3.43Å; T515-C523 PolarHBondContact O-N 3.38Å
516	T	80.6	Confident	76.4	Confident	80 Å²	80	45.4 Å²	45.4	49%	0.491	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	121.5	178.3	57	0	0	0	0	111	Y531	T516-Y531 VanDerWaalsContact CG2-OH 3.23Å; T516-Y531 WeakPolarHBondContact CG2-OH 3.44Å
517	C	79.2	Confident	76.6	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.081	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-6.3	-178.1	58.2	0	0	0	0	113.7	I491 T515 M521 W522 C528	I491-C517 HydrophobicContact CG2-CB 3.31Å; T515-C517 PolarHBondContact O-N 3.5Å; C517-M521 PolarHBondContact N-O 3.24Å; C517-M521 VanDerWaalsContact SG-C 3.55Å; C517-W522 VanDerWaalsContact SG-CA 3.55Å; C517-W522 PolarHBondContact SG-N 3.24Å; C517-W522 VanDerWaalsContact SG-N 3.41Å; C517-W522 PolarHBondContact SG-O 2.76Å; C517-C528 HydrophobicContact CB-CB 3.84Å; C517-C528 WeakPolarHBondContact CB-SG 3.36Å; C517-C528 WeakPolarHBondContact SG-CA 3.48Å; C517-C528 WeakPolarHBondContact SG-CB 3.1Å; C517-C528 CovalentContact SG-SG 2.02Å; C517-C528 PolarHBondContact SG-SG 2.83Å
518	G	76.8	Confident	77.1	Confident	24 Å²	24	49.2 Å²	49.2	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-178.1	172.8	0	0	0	0	0	111.3	D520 M521	G518-D520 PolarHBondContact O-N 3.33Å; G518-M521 PolarHBondContact O-N 3Å; G518-M521 VanDerWaalsContact O-N 3.09Å
519	P	75.5	Confident	77.6	Confident	114 Å²	114	44.7 Å²	44.7	74%	0.74	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	122.4	177.8	26	-33	0	0	0	109.7	M521	P519-M521 PolarHBondContact O-N 2.94Å
520	D	70.4	Confident	77.7	Confident	122 Å²	122	50.6 Å²	50.6	65%	0.652	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	26.4	-174.2	-59.6	-43.7	0	0	0	116.2	G518 K530 Y531	G518-D520 PolarHBondContact O-N 3.33Å; D520-K530 CarbonylContact O-C 3.47Å; D520-K530 WeakPolarHBondContact O-CA 3.34Å; D520-Y531 VanDerWaalsContact C-CE2 3.46Å; D520-Y531 HydrophobicContact CB-CD2 3.88Å; D520-Y531 HydrophobicContact CB-CE2 4.38Å; D520-Y531 WeakPolarHBondContact O-CD2 3.29Å; D520-Y531 PolarHBondContact O-N 3.28Å
521	M	76.6	Confident	77.1	Confident	55 Å²	55	54.7 Å²	54.7	27%	0.271	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.1	-177.4	-60.9	-176.5	-61.8	0	0	113.8	C517 G518 P519 C528 V529 K530	C517-M521 PolarHBondContact N-O 3.24Å; C517-M521 VanDerWaalsContact SG-C 3.55Å; G518-M521 PolarHBondContact O-N 3Å; G518-M521 VanDerWaalsContact O-N 3.09Å; P519-M521 PolarHBondContact O-N 2.94Å; M521-C528 VanDerWaalsContact CB-SG 3.6Å; M521-V529 CarbonylContact C-O 3.39Å; M521-V529 WeakPolarHBondContact CA-O 3.46Å; M521-V529 VanDerWaalsContact CB-O 3.31Å; M521-V529 WeakPolarHBondContact CB-O 3.46Å; M521-K530 HydrophobicContact CG-CG 4.18Å
522	W	78.9	Confident	76	Confident	33 Å²	33	57.6 Å²	57.6	13%	0.125	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.8	-179.5	66.8	-16.7	0	0	0	113.4	L461 T515 C517 R524 V529 K530 Y531	L461-W522 HydrophobicContact CD1-CE3 3.84Å; L461-W522 HydrophobicContact CD1-CH2 3.7Å; L461-W522 HydrophobicContact CD1-CZ3 3.23Å; L461-W522 HydrophobicContact CG-CZ3 4.15Å; T515-W522 CarbonylContact O-C 3.6Å; T515-W522 VanDerWaalsContact O-CA 3.24Å; T515-W522 WeakPolarHBondContact O-CA 3.43Å; C517-W522 VanDerWaalsContact SG-CA 3.55Å; C517-W522 PolarHBondContact SG-N 3.24Å; C517-W522 VanDerWaalsContact SG-N 3.41Å; C517-W522 PolarHBondContact SG-O 2.76Å; W522-R524 HydrophobicContact CD2-CG 4.45Å; W522-R524 HydrophobicContact CZ2-CG 4.35Å; W522-V529 VanDerWaalsContact CD1-CG2 3.45Å; W522-V529 VanDerWaalsContact CD1-O 3.3Å; W522-V529 PolarHBondContact N-O 2.94Å; W522-V529 PolarHBondContact O-N 3.36Å; W522-K530 PolarHBondContact NE1-O 3.26Å; W522-Y531 HydrophobicContact CB-CD1 4.31Å; W522-Y531 HydrophobicContact CB-CE1 3.8Å; W522-Y531 HydrophobicContact CD2-CD1 4.22Å; W522-Y531 HydrophobicContact CD2-CE1 4.36Å; W522-Y531 HydrophobicContact CG-CD1 4.07Å; W522-Y531 HydrophobicContact CG-CE1 4.04Å
523	C	79.3	Confident	74.7	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.007	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.8	179.4	-68.4	0	0	0	0	112.9	C492 E513 G514 T515 Q527	C492-C523 WeakPolarHBondContact CA-SG 3.27Å; C492-C523 HydrophobicContact CB-CB 3.65Å; C492-C523 WeakPolarHBondContact CB-SG 3.08Å; C492-C523 WeakPolarHBondContact SG-CA 3.43Å; C492-C523 WeakPolarHBondContact SG-CB 3.28Å; C492-C523 CovalentContact SG-SG 2.04Å; C492-C523 PolarHBondContact SG-SG 2.93Å; E513-C523 CarbonylContact C-O 3.55Å; G514-C523 PolarHBondContact N-O 3.27Å; T515-C523 PolarHBondContact O-N 3.38Å; C523-Q527 CarbonylContact C-O 3.6Å; C523-Q527 WeakPolarHBondContact CA-O 3.24Å
524	R	76.8	Confident	73.5	Confident	62 Å²	62	68.9 Å²	68.9	23%	0.234	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	122.3	173.3	-67.6	-69.9	-71.2	-173.4	-5.3	110.6	E513 W522 G526 Q527 V529	E513-R524 VanDerWaalsContact OE2-CA 3.29Å; E513-R524 WeakPolarHBondContact OE2-CA 3.31Å; E513-R524 WeakPolarHBondContact OE2-CD 3.37Å; E513-R524 IonicContact OE2-CZ 3.71Å; E513-R524 IonicContact OE2-NE 2.87Å; E513-R524 IonicContact OE2-NH1 3.07Å; W522-R524 HydrophobicContact CD2-CG 4.45Å; W522-R524 HydrophobicContact CZ2-CG 4.35Å; R524-G526 VanDerWaalsContact C-N 3.3Å; R524-G526 PolarHBondContact O-N 3.06Å; R524-Q527 PolarHBondContact N-O 3.44Å; R524-Q527 PolarHBondContact O-N 3.19Å; R524-V529 HydrophobicContact CB-CG2 3.91Å; R524-V529 HydrophobicContact CG-CG2 3.68Å
525	R	71.8	Confident	72.3	Confident	108 Å²	108	69.8 Å²	69.8	41%	0.408	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	47	-180	-65.6	-176.2	166.8	165.4	0.5	114	E513 Q527 N574	E513-R525 WeakPolarHBondContact OE1-CA 3.32Å; E513-R525 PolarHBondContact OE1-N 3.41Å; E513-R525 PolarHBondContact OE2-N 3.01Å; R525-Q527 VanDerWaalsContact C-N 3.26Å; R525-Q527 PolarHBondContact O-N 3.42Å; R525-N574 PolarHBondContact NH1-OD1 2.77Å; R525-N574 VanDerWaalsContact NH1-OD1 3.17Å; R525-N574 PolarHBondContact NH2-OD1 2.83Å
526	G	74	Confident	70.8	Confident	3 Å²	3	73.4 Å²	73.4	3%	0.031	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	0.9	-179.2	0	0	0	0	0	115.4	C492 K493 R524	C492-G526 VanDerWaalsContact CB-C 3.46Å; C492-G526 WeakPolarHBondContact CB-O 3.46Å; C492-G526 VanDerWaalsContact O-CA 3.32Å; C492-G526 WeakPolarHBondContact O-CA 3.22Å; K493-G526 VanDerWaalsContact CG-O 3.23Å; K493-G526 WeakPolarHBondContact CG-O 3.19Å; R524-G526 VanDerWaalsContact C-N 3.3Å; R524-G526 PolarHBondContact O-N 3.06Å
527	Q	79.1	Confident	69.6	Low	130 Å²	130	80.4 Å²	80.4	61%	0.607	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	148.8	-177.4	-61	-175.4	-9.2	0	0	112.2	C523 R524 R525 V529	C523-Q527 CarbonylContact C-O 3.6Å; C523-Q527 WeakPolarHBondContact CA-O 3.24Å; R524-Q527 PolarHBondContact N-O 3.44Å; R524-Q527 PolarHBondContact O-N 3.19Å; R525-Q527 VanDerWaalsContact C-N 3.26Å; R525-Q527 PolarHBondContact O-N 3.42Å; Q527-V529 HydrophobicContact CB-CG1 4.34Å
528	C	80.1	Confident	68.3	Low	51 Å²	51	82.2 Å²	82.2	35%	0.345	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.3	174.2	-174.2	0	0	0	0	109.9	C517 M521	C517-C528 HydrophobicContact CB-CB 3.84Å; C517-C528 WeakPolarHBondContact CB-SG 3.36Å; C517-C528 WeakPolarHBondContact SG-CA 3.48Å; C517-C528 WeakPolarHBondContact SG-CB 3.1Å; C517-C528 CovalentContact SG-SG 2.02Å; C517-C528 PolarHBondContact SG-SG 2.83Å; M521-C528 VanDerWaalsContact CB-SG 3.6Å
529	V	78.8	Confident	68	Low	33 Å²	33	83.5 Å²	83.5	20%	0.2	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	164.2	-175.1	-54.6	0	0	0	0	111.2	M521 W522 R524 Q527	M521-V529 CarbonylContact C-O 3.39Å; M521-V529 WeakPolarHBondContact CA-O 3.46Å; M521-V529 VanDerWaalsContact CB-O 3.31Å; M521-V529 WeakPolarHBondContact CB-O 3.46Å; W522-V529 VanDerWaalsContact CD1-CG2 3.45Å; W522-V529 VanDerWaalsContact CD1-O 3.3Å; W522-V529 PolarHBondContact N-O 2.94Å; W522-V529 PolarHBondContact O-N 3.36Å; R524-V529 HydrophobicContact CB-CG2 3.91Å; R524-V529 HydrophobicContact CG-CG2 3.68Å; Q527-V529 HydrophobicContact CB-CG1 4.34Å
530	K	73.8	Confident	67.6	Low	141 Å²	141	82.9 Å²	82.9	61%	0.613	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.2	-178.5	-69	-175.6	179.3	-178.7	0	113.2	D520 M521 W522	D520-K530 CarbonylContact O-C 3.47Å; D520-K530 WeakPolarHBondContact O-CA 3.34Å; M521-K530 HydrophobicContact CG-CG 4.18Å; W522-K530 PolarHBondContact NE1-O 3.26Å
531	Y	66	Low	67.9	Low	107 Å²	107	77.6 Å²	77.6	42%	0.42	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.6	170.6	-68	-53.4	0	0	0	111.2	T516 D520 W522	T516-Y531 VanDerWaalsContact CG2-OH 3.23Å; T516-Y531 WeakPolarHBondContact CG2-OH 3.44Å; D520-Y531 VanDerWaalsContact C-CE2 3.46Å; D520-Y531 HydrophobicContact CB-CD2 3.88Å; D520-Y531 HydrophobicContact CB-CE2 4.38Å; D520-Y531 WeakPolarHBondContact O-CD2 3.29Å; D520-Y531 PolarHBondContact O-N 3.28Å; W522-Y531 HydrophobicContact CB-CD1 4.31Å; W522-Y531 HydrophobicContact CB-CE1 3.8Å; W522-Y531 HydrophobicContact CD2-CD1 4.22Å; W522-Y531 HydrophobicContact CD2-CE1 4.36Å; W522-Y531 HydrophobicContact CG-CD1 4.07Å; W522-Y531 HydrophobicContact CG-CE1 4.04Å
532	G	57.6	Low	67.9	Low	65 Å²	65	80.7 Å²	80.7	67%	0.67	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-17.5	174.7	0	0	0	0	0	116	H534	G532-H534 VanDerWaalsContact C-N 3.25Å; G532-H534 PolarHBondContact O-N 3.3Å; G532-H534 PolarHBondContact O-ND1 2.92Å
533	E	55.1	Low	68	Low	132 Å²	132	81.6 Å²	81.6	62%	0.617	41%	0.408	S	S	*	.			trans	-65.7	97.8	155.7	-79.3	-167.8	169	0	0	106.3	G535	E533-G535 PolarHBondContact O-N 3.15Å
534	H	53.1	Low	68.2	Low	172 Å²	172	83 Å²	83	80%	0.796	42%	0.418	S	S	*	.			trans	-48.1	120.5	164.7	-70.9	67.6	0	0	0	104.9	G532	G532-H534 VanDerWaalsContact C-N 3.25Å; G532-H534 PolarHBondContact O-N 3.3Å; G532-H534 PolarHBondContact O-ND1 2.92Å
535	G	52.2	Low	68.6	Low	20 Å²	20	84.2 Å²	84.2	21%	0.206	44%	0.441	C	S	.	.	S	Bend	trans	-44.3	147.9	164.3	0	0	0	0	0	108.3	E533 R537	E533-G535 PolarHBondContact O-N 3.15Å; G535-R537 PolarHBondContact O-N 3.29Å
536	P	51.9	Low	69.3	Low	76 Å²	76	82.8 Å²	82.8	49%	0.494	44%	0.436	S	S	.	.	S	Bend	trans	-44.8	138.2	-162.7	12.3	-26.7	0	0	0	111.5	N574	P536-N574 WeakPolarHBondContact CB-ND2 3.13Å; P536-N574 WeakPolarHBondContact O-CB 3.33Å; P536-N574 PolarHBondContact O-ND2 2.93Å
537	R	54.1	Low	69.9	Low	228 Å²	228	84.9 Å²	84.9	86%	0.86	45%	0.45	S	S	*	.			trans	-50.5	151.3	-176.8	-69.2	-179.2	178.2	172.8	-0.5	110.7	G535 V539 N574	G535-R537 PolarHBondContact O-N 3.29Å; R537-V539 WeakPolarHBondContact O-CG2 3.4Å; R537-V539 PolarHBondContact O-N 3.13Å; R537-N574 PolarHBondContact O-ND2 3.46Å
538	A	53.5	Low	70.4	Confident	50 Å²	50	87 Å²	87	41%	0.413	46%	0.459	S	S	.	.			trans	-51.1	111.3	172.2	0	0	0	0	0	109.9	N574	A538-N574 VanDerWaalsContact CA-O 3.29Å; A538-N574 WeakPolarHBondContact CA-O 3.41Å; A538-N574 VanDerWaalsContact CB-O 3.24Å; A538-N574 WeakPolarHBondContact CB-O 3.36Å
539	V	68.6	Low	70.8	Confident	51 Å²	51	88.3 Å²	88.3	31%	0.309	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-94.6	107.2	175.8	-178.7	0	0	0	0	106.3	R537 P570 P572 Q573 G576	R537-V539 WeakPolarHBondContact O-CG2 3.4Å; R537-V539 PolarHBondContact O-N 3.13Å; V539-P570 HydrophobicContact CG1-CB 4.01Å; V539-P570 HydrophobicContact CG1-CG 3.62Å; V539-P572 CarbonylContact O-C 3.51Å; V539-P572 VanDerWaalsContact O-CA 3.28Å; V539-P572 WeakPolarHBondContact O-CA 3.41Å; V539-Q573 HydrophobicContact CB-CB 4.14Å; V539-Q573 HydrophobicContact CG2-CB 4.45Å; V539-Q573 PolarHBondContact N-O 2.88Å; V539-Q573 PolarHBondContact O-N 3.03Å; V539-G576 WeakPolarHBondContact O-CA 3.4Å
540	H	69.1	Low	71.4	Confident	101 Å²	101	88.1 Å²	88.1	47%	0.468	46%	0.458	S	S	.	.			trans	-69	138.8	175.6	-57.2	-32.8	0	0	0	110.2	G576 K577	H540-G576 WeakPolarHBondContact ND1-CA 3.07Å; H540-K577 PolarHBondContact ND1-N 2.58Å; H540-K577 VanDerWaalsContact ND1-N 3.14Å
541	G	75.7	Confident	72.2	Confident	10 Å²	10	88.9 Å²	88.9	10%	0.103	47%	0.468	C	S	.	.			trans	-66.7	141	177.6	0	0	0	0	0	111.5	P570 K577 C579	G541-P570 CarbonylContact C-O 3.3Å; G541-P570 VanDerWaalsContact CA-O 3.27Å; G541-P570 WeakPolarHBondContact CA-O 3.18Å; G541-K577 PolarHBondContact N-O 3.08Å; G541-C579 PolarHBondContact O-SG 2.9Å; G541-C579 VanDerWaalsContact O-SG 3.36Å
542	Q	77.3	Confident	73.3	Confident	120 Å²	120	85.3 Å²	85.3	56%	0.561	46%	0.459	S	S	*	.			trans	-124.8	148.6	167	-60.3	176.3	7.9	0	0	110.9	C567 T568 N569 P570 C579	Q542-C567 CarbonylContact O-C 3.55Å; Q542-T568 PolarHBondContact O-N 2.84Å; Q542-N569 VanDerWaalsContact CB-O 3.28Å; Q542-N569 WeakPolarHBondContact CB-O 3.18Å; Q542-N569 PolarHBondContact O-N 3.13Å; Q542-N569 PolarHBondContact OE1-O 2.66Å; Q542-P570 PolarHBondContact N-O 3.2Å; Q542-C579 WeakPolarHBondContact CA-SG 3.45Å; Q542-C579 PolarHBondContact N-SG 3.38Å
543	W	80.7	Confident	74.8	Confident	52 Å²	52	84.4 Å²	84.4	20%	0.197	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-65.5	137.5	-178.1	-73.3	117.6	0	0	0	111.2	R565 C567 C579 P580 G581 T583	W543-R565 VanDerWaalsContact CD2-CD 3.5Å; W543-R565 HydrophobicContact CD2-CG 4.04Å; W543-R565 VanDerWaalsContact CD2-NE 3.34Å; W543-R565 VanDerWaalsContact CE2-CZ 3.44Å; W543-R565 HydrophobicContact CE3-CB 4.17Å; W543-R565 HydrophobicContact CE3-CG 3.48Å; W543-R565 VanDerWaalsContact CE3-CG 3.48Å; W543-R565 HydrophobicContact CZ3-CG 3.83Å; W543-C567 HydrophobicContact CE3-CB 4.29Å; W543-C567 HydrophobicContact CZ3-CB 4.15Å; W543-C579 HydrophobicContact CD2-CB 3.58Å; W543-C579 HydrophobicContact CE3-CB 4.1Å; W543-C579 HydrophobicContact CG-CB 4.03Å; W543-C579 HydrophobicContact CH2-CB 4.02Å; W543-C579 HydrophobicContact CZ2-CB 3.48Å; W543-C579 VanDerWaalsContact CZ2-CB 3.48Å; W543-C579 WeakPolarHBondContact CZ2-O 3.43Å; W543-C579 HydrophobicContact CZ3-CB 4.31Å; W543-C579 PolarHBondContact N-SG 2.01Å; W543-C579 VanDerWaalsContact N-SG 3.42Å; W543-P580 PolarHBondContact NE1-O 2.92Å; W543-G581 VanDerWaalsContact CZ2-O 3.29Å; W543-G581 WeakPolarHBondContact CZ2-O 3.03Å; W543-T583 HydrophobicContact CH2-CG2 3.67Å; W543-T583 HydrophobicContact CZ3-CG2 3.89Å
544	S	83.7	Confident	76.3	Confident	31 Å²	31	80 Å²	80	22%	0.217	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-63.9	165.5	161.9	73.1	0	0	0	0	110.5	S566	S544-S566 WeakPolarHBondContact CB-O 3.37Å; S544-S566 PolarHBondContact N-O 3.29Å; S544-S566 PolarHBondContact OG-N 3.26Å; S544-S566 PolarHBondContact OG-O 2.76Å
545	A	85.3	Confident	77.8	Confident	88 Å²	88	78 Å²	78	73%	0.727	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-55.3	148.8	162.3	0	0	0	0	0	110.1
546	W	85.6	Confident	79.4	Confident	78 Å²	78	78.4 Å²	78.4	30%	0.295	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.4	141.7	172.5	-73.3	102.3	0	0	0	110.4	R563 R565 L585	W546-R563 HydrophobicContact CD2-CG 4.26Å; W546-R563 HydrophobicContact CE3-CB 4.37Å; W546-R563 HydrophobicContact CE3-CG 3.68Å; W546-R563 HydrophobicContact CZ3-CG 4.2Å; W546-R563 WeakPolarHBondContact CZ3-O 3.45Å; W546-R565 HydrophobicContact CD2-CB 4.08Å; W546-R565 HydrophobicContact CD2-CG 4.09Å; W546-R565 HydrophobicContact CE3-CB 3.83Å; W546-R565 HydrophobicContact CE3-CG 3.78Å; W546-R565 HydrophobicContact CH2-CG 3.72Å; W546-R565 VanDerWaalsContact CZ2-CD 3.43Å; W546-R565 HydrophobicContact CZ2-CG 4.03Å; W546-R565 VanDerWaalsContact CZ2-CZ 3.49Å; W546-R565 VanDerWaalsContact CZ2-NE 3.27Å; W546-R565 HydrophobicContact CZ3-CB 4.14Å; W546-R565 HydrophobicContact CZ3-CG 3.59Å; W546-L585 HydrophobicContact CH2-CB 3.63Å; W546-L585 HydrophobicContact CZ2-CB 4.32Å; W546-L585 HydrophobicContact CZ3-CB 3.73Å
547	S	86.4	Confident	80.6	Confident	46 Å²	46	76.2 Å²	76.2	32%	0.322	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.9	165.7	169.2	76	0	0	0	0	111.2	R563 E564	S547-R563 WeakPolarHBondContact OG-CA 3.43Å; S547-E564 WeakPolarHBondContact CB-O 3.04Å; S547-E564 PolarHBondContact N-O 3.15Å; S547-E564 PolarHBondContact OG-N 2.96Å; S547-E564 PolarHBondContact OG-O 3.31Å
548	Q	90.8	Very high	81.9	Confident	174 Å²	174	65.7 Å²	65.7	81%	0.813	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-61	153.8	162.7	-63.4	-62.2	-24.4	0	0	109.9
549	W	88.4	Confident	83.5	Confident	79 Å²	79	63.3 Å²	63.3	30%	0.299	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-64.1	138.4	175.2	-72.5	103.7	0	0	0	110.8	M561 R563 L585 Q587	W549-M561 HydrophobicContact CB-SD 3.99Å; W549-M561 HydrophobicContact CD2-CG 4.44Å; W549-M561 HydrophobicContact CD2-SD 3.92Å; W549-M561 HydrophobicContact CE3-CB 4.3Å; W549-M561 HydrophobicContact CE3-CG 3.76Å; W549-M561 HydrophobicContact CE3-SD 3.86Å; W549-M561 HydrophobicContact CG-SD 4.01Å; W549-M561 HydrophobicContact CZ3-CG 4.19Å; W549-R563 HydrophobicContact CD2-CB 4.18Å; W549-R563 HydrophobicContact CD2-CG 4.19Å; W549-R563 HydrophobicContact CE3-CB 4.02Å; W549-R563 HydrophobicContact CE3-CG 4.01Å; W549-R563 HydrophobicContact CH2-CG 3.93Å; W549-R563 HydrophobicContact CZ2-CG 4.11Å; W549-R563 HydrophobicContact CZ3-CB 4.35Å; W549-R563 HydrophobicContact CZ3-CG 3.88Å; W549-L585 HydrophobicContact CH2-CD2 4.07Å; W549-L585 HydrophobicContact CH2-CG 4.35Å; W549-Q587 HydrophobicContact CH2-CB 3.55Å; W549-Q587 HydrophobicContact CH2-CG 4.48Å; W549-Q587 HydrophobicContact CZ2-CB 4.42Å; W549-Q587 HydrophobicContact CZ3-CB 3.65Å
550	S	89.6	Confident	84.5	Confident	30 Å²	30	61 Å²	61	21%	0.21	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-64.2	162.2	171.8	76.9	0	0	0	0	111	F562	S550-F562 WeakPolarHBondContact CB-O 3.45Å; S550-F562 PolarHBondContact N-O 3.36Å; S550-F562 WeakPolarHBondContact OG-CD1 3.36Å; S550-F562 WeakPolarHBondContact OG-CE1 3.31Å; S550-F562 PolarHBondContact OG-N 2.98Å; S550-F562 PolarHBondContact OG-O 2.92Å
551	N	91.1	Very high	85.4	Confident	156 Å²	156	58.4 Å²	58.4	83%	0.834	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-57.5	144.5	165	-70	-15.8	0	0	0	110
552	C	90.6	Very high	86	Confident	33 Å²	33	60.9 Å²	60.9	22%	0.223	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.2	135	176.8	-170.5	0	0	0	0	110	R554 M561 C589 N590	C552-R554 PolarHBondContact O-N 3.04Å; C552-R554 PolarHBondContact SG-O 3.27Å; C552-M561 HydrophobicContact CB-CE 4.43Å; C552-C589 VanDerWaalsContact CA-SG 3.5Å; C552-C589 HydrophobicContact CB-CB 3.86Å; C552-C589 WeakPolarHBondContact CB-SG 3.24Å; C552-C589 WeakPolarHBondContact SG-CB 3.34Å; C552-C589 CovalentContact SG-SG 2.01Å; C552-C589 PolarHBondContact SG-SG 3.45Å; C552-N590 WeakPolarHBondContact CB-ND2 3.48Å; C552-N590 PolarHBondContact SG-ND2 3.4Å
553	S	88.4	Confident	86.5	Confident	46 Å²	46	58.4 Å²	58.4	32%	0.322	32%	0.322	S	S	.	.	S	Bend	trans	-63.6	-23.8	-179.6	66.4	0	0	0	0	114.2	G559 V560 D654	S553-G559 WeakPolarHBondContact OG-CA 3.32Å; S553-V560 WeakPolarHBondContact CB-O 3.45Å; S553-V560 PolarHBondContact N-O 3.2Å; S553-V560 PolarHBondContact OG-N 3.23Å; S553-V560 PolarHBondContact OG-O 3.19Å; S553-D654 WeakPolarHBondContact CB-O 3.39Å; S553-D654 PolarHBondContact OG-O 2.89Å
554	R	85.8	Confident	86.5	Confident	39 Å²	39	61.1 Å²	61.1	15%	0.147	34%	0.337	C	S	.	.			trans	-135.1	151.6	-179.4	-60.6	177.7	64.6	-164.6	-1.4	111	C552 C556 G557 G558 N590 F601 G655	C552-R554 PolarHBondContact O-N 3.04Å; C552-R554 PolarHBondContact SG-O 3.27Å; R554-C556 PolarHBondContact NE-O 3.41Å; R554-C556 PolarHBondContact NH2-O 3.47Å; R554-G557 PolarHBondContact NH1-O 3.11Å; R554-G558 WeakPolarHBondContact CD-O 3.38Å; R554-G558 PolarHBondContact NH1-O 2.98Å; R554-G558 VanDerWaalsContact NH1-O 3.14Å; R554-N590 WeakPolarHBondContact O-CB 3.46Å; R554-N590 PolarHBondContact O-ND2 3.13Å; R554-F601 HydrophobicContact CG-CD1 4.26Å; R554-F601 HydrophobicContact CG-CD2 4.3Å; R554-F601 HydrophobicContact CG-CE1 3.89Å; R554-F601 HydrophobicContact CG-CE2 3.95Å; R554-F601 HydrophobicContact CG-CG 4.44Å; R554-F601 HydrophobicContact CG-CZ 3.72Å; R554-G655 WeakPolarHBondContact CD-O 3.35Å; R554-G655 PolarHBondContact NH1-O 3.37Å; R554-G655 VanDerWaalsContact NH1-O 3.13Å
555	T	86	Confident	86.3	Confident	130 Å²	130	61.8 Å²	61.8	80%	0.798	33%	0.334	S	S	*	.	S	Bend	trans	-89.7	-18.9	175.9	51.7	0	0	0	0	113.2	N590	T555-N590 WeakPolarHBondContact O-CB 3.44Å
556	C	84.5	Confident	85.8	Confident	28 Å²	28	60.2 Å²	60.2	19%	0.189	32%	0.318	C	S	.	.	S	Bend	trans	-152	165.9	177.1	63.4	0	0	0	0	110.6	R554 G558 N590 C594	R554-C556 PolarHBondContact NE-O 3.41Å; R554-C556 PolarHBondContact NH2-O 3.47Å; C556-G558 PolarHBondContact O-N 3.2Å; C556-N590 CarbonylContact C-O 3.51Å; C556-C594 HydrophobicContact CB-CB 4Å; C556-C594 WeakPolarHBondContact CB-SG 3.45Å; C556-C594 PolarHBondContact O-SG 3.09Å; C556-C594 VanDerWaalsContact O-SG 3.35Å; C556-C594 WeakPolarHBondContact SG-CA 3.38Å; C556-C594 WeakPolarHBondContact SG-CB 3.36Å; C556-C594 CovalentContact SG-SG 2.05Å; C556-C594 PolarHBondContact SG-SG 3.41Å
557	G	76.8	Confident	85.2	Confident	31 Å²	31	57.5 Å²	57.5	32%	0.32	31%	0.31	S	S	.	.	S	Bend	trans	76.1	18.9	170.8	0	0	0	0	0	114.8	R554 N590 R592 C594	R554-G557 PolarHBondContact NH1-O 3.11Å; G557-N590 PolarHBondContact N-O 2.94Å; G557-R592 PolarHBondContact N-O 2.91Å; G557-C594 PolarHBondContact N-SG 2.83Å
558	G	82.5	Confident	84.7	Confident	7 Å²	7	57.8 Å²	57.8	7%	0.072	31%	0.31	C	S	.	.			trans	80.2	96.8	-178.5	0	0	0	0	0	112.4	R554 C556 N590	R554-G558 WeakPolarHBondContact CD-O 3.38Å; R554-G558 PolarHBondContact NH1-O 2.98Å; R554-G558 VanDerWaalsContact NH1-O 3.14Å; C556-G558 PolarHBondContact O-N 3.2Å; G558-N590 PolarHBondContact N-O 3.46Å
559	G	86.5	Confident	83.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	178.4	168	0	0	0	0	0	111.8	S553 L588 C589	S553-G559 WeakPolarHBondContact OG-CA 3.32Å; G559-L588 CarbonylContact O-C 3.45Å; G559-L588 WeakPolarHBondContact O-CA 3.4Å; G559-C589 PolarHBondContact N-O 2.88Å; G559-C589 PolarHBondContact O-N 2.92Å; G559-C589 PolarHBondContact O-SG 3.07Å
560	V	89.6	Confident	83	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.3	178.4	179.1	0	0	0	0	108.9	S553 N586 Q587 L588 D654 V665 I667	S553-V560 WeakPolarHBondContact CB-O 3.45Å; S553-V560 PolarHBondContact N-O 3.2Å; S553-V560 PolarHBondContact OG-N 3.23Å; S553-V560 PolarHBondContact OG-O 3.19Å; V560-N586 HydrophobicContact CG1-CB 4.08Å; V560-Q587 WeakPolarHBondContact CA-O 3.35Å; V560-L588 HydrophobicContact CG2-CD2 4.5Å; V560-D654 HydrophobicContact CB-CB 4.26Å; V560-V665 HydrophobicContact CG2-CG2 4.39Å; V560-I667 HydrophobicContact CG1-CD1 4.1Å; V560-I667 HydrophobicContact CG1-CG1 4.38Å; V560-I667 HydrophobicContact CG2-CD1 4.01Å; V560-I667 HydrophobicContact CG2-CG1 4.04Å
561	M	88.9	Confident	81.9	Confident	45 Å²	45	57.2 Å²	57.2	22%	0.222	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154	166.4	59.5	170	67.8	0	0	108.7	W549 C552 Q587 C589	W549-M561 HydrophobicContact CB-SD 3.99Å; W549-M561 HydrophobicContact CD2-CG 4.44Å; W549-M561 HydrophobicContact CD2-SD 3.92Å; W549-M561 HydrophobicContact CE3-CB 4.3Å; W549-M561 HydrophobicContact CE3-CG 3.76Å; W549-M561 HydrophobicContact CE3-SD 3.86Å; W549-M561 HydrophobicContact CG-SD 4.01Å; W549-M561 HydrophobicContact CZ3-CG 4.19Å; C552-M561 HydrophobicContact CB-CE 4.43Å; M561-Q587 HydrophobicContact CG-CB 4.32Å; M561-Q587 PolarHBondContact N-O 3.4Å; M561-Q587 PolarHBondContact O-N 3.01Å; M561-C589 HydrophobicContact CB-CB 4.48Å; M561-C589 HydrophobicContact CE-CB 3.28Å; M561-C589 HydrophobicContact CG-CB 3.98Å; M561-C589 PolarHBondContact N-SG 3.22Å; M561-C589 VanDerWaalsContact N-SG 3.4Å; M561-C589 HydrophobicContact SD-CB 4.28Å
562	F	87.1	Confident	80.8	Confident	63 Å²	63	50.1 Å²	50.1	28%	0.276	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.2	-178.8	66	-87.4	0	0	0	111.4	S550 R584 L585 N586	S550-F562 WeakPolarHBondContact CB-O 3.45Å; S550-F562 PolarHBondContact N-O 3.36Å; S550-F562 WeakPolarHBondContact OG-CD1 3.36Å; S550-F562 WeakPolarHBondContact OG-CE1 3.31Å; S550-F562 PolarHBondContact OG-N 2.98Å; S550-F562 PolarHBondContact OG-O 2.92Å; F562-R584 HydrophobicContact CB-CG 4.16Å; F562-R584 HydrophobicContact CD2-CG 4.21Å; F562-R584 VanDerWaalsContact CE1-NH2 3.3Å; F562-R584 VanDerWaalsContact CG-NE 3.26Å; F562-R584 VanDerWaalsContact CG-NH2 3.33Å; F562-L585 CarbonylContact C-O 3.51Å; F562-L585 WeakPolarHBondContact CA-O 3.24Å; F562-N586 WeakPolarHBondContact CB-OD1 3.22Å
563	R	87.3	Confident	79.2	Confident	68 Å²	68	52.7 Å²	52.7	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153	166.2	61.9	178.5	-170.9	-175.8	-5.8	108.9	W546 S547 W549 L585	W546-R563 HydrophobicContact CD2-CG 4.26Å; W546-R563 HydrophobicContact CE3-CB 4.37Å; W546-R563 HydrophobicContact CE3-CG 3.68Å; W546-R563 HydrophobicContact CZ3-CG 4.2Å; W546-R563 WeakPolarHBondContact CZ3-O 3.45Å; S547-R563 WeakPolarHBondContact OG-CA 3.43Å; W549-R563 HydrophobicContact CD2-CB 4.18Å; W549-R563 HydrophobicContact CD2-CG 4.19Å; W549-R563 HydrophobicContact CE3-CB 4.02Å; W549-R563 HydrophobicContact CE3-CG 4.01Å; W549-R563 HydrophobicContact CH2-CG 3.93Å; W549-R563 HydrophobicContact CZ2-CG 4.11Å; W549-R563 HydrophobicContact CZ3-CB 4.35Å; W549-R563 HydrophobicContact CZ3-CG 3.88Å; R563-L585 HydrophobicContact CG-CB 4.12Å; R563-L585 PolarHBondContact N-O 2.75Å; R563-L585 PolarHBondContact O-N 2.05Å
564	E	81.8	Confident	77.8	Confident	109 Å²	109	52 Å²	52	51%	0.509	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.2	-174.6	60.4	-176.6	-169.3	0	0	111.4	S547 T583	S547-E564 WeakPolarHBondContact CB-O 3.04Å; S547-E564 PolarHBondContact N-O 3.15Å; S547-E564 PolarHBondContact OG-N 2.96Å; S547-E564 PolarHBondContact OG-O 3.31Å; E564-T583 CarbonylContact C-O 3.57Å; E564-T583 VanDerWaalsContact CA-O 3.31Å; E564-T583 WeakPolarHBondContact CA-O 3.08Å
565	R	80.1	Confident	76.4	Confident	45 Å²	45	56.3 Å²	56.3	17%	0.17	30%	0.301	C	S	.	.			trans	-137.9	148.6	172	59.4	175.7	-180	-179.8	1.2	108.2	W543 W546 S582 T583	W543-R565 VanDerWaalsContact CD2-CD 3.5Å; W543-R565 HydrophobicContact CD2-CG 4.04Å; W543-R565 VanDerWaalsContact CD2-NE 3.34Å; W543-R565 VanDerWaalsContact CE2-CZ 3.44Å; W543-R565 HydrophobicContact CE3-CB 4.17Å; W543-R565 HydrophobicContact CE3-CG 3.48Å; W543-R565 VanDerWaalsContact CE3-CG 3.48Å; W543-R565 HydrophobicContact CZ3-CG 3.83Å; W546-R565 HydrophobicContact CD2-CB 4.08Å; W546-R565 HydrophobicContact CD2-CG 4.09Å; W546-R565 HydrophobicContact CE3-CB 3.83Å; W546-R565 HydrophobicContact CE3-CG 3.78Å; W546-R565 HydrophobicContact CH2-CG 3.72Å; W546-R565 VanDerWaalsContact CZ2-CD 3.43Å; W546-R565 HydrophobicContact CZ2-CG 4.03Å; W546-R565 VanDerWaalsContact CZ2-CZ 3.49Å; W546-R565 VanDerWaalsContact CZ2-NE 3.27Å; W546-R565 HydrophobicContact CZ3-CB 4.14Å; W546-R565 HydrophobicContact CZ3-CG 3.59Å; R565-S582 PolarHBondContact NE-O 2.82Å; R565-S582 PolarHBondContact NH2-O 2.68Å; R565-T583 PolarHBondContact N-O 2.96Å
566	S	73.3	Confident	75.2	Confident	55 Å²	55	50.5 Å²	50.5	39%	0.385	27%	0.267	S	S	.	.			trans	-113.8	145.4	179.1	-66.9	0	0	0	0	109.9	S544 T568	S544-S566 WeakPolarHBondContact CB-O 3.37Å; S544-S566 PolarHBondContact N-O 3.29Å; S544-S566 PolarHBondContact OG-N 3.26Å; S544-S566 PolarHBondContact OG-O 2.76Å; S566-T568 PolarHBondContact O-N 3Å
567	C	74.4	Confident	74.2	Confident	20 Å²	20	56.7 Å²	56.7	14%	0.135	29%	0.291	C	S	.	.	S	Bend	trans	-78.5	69.6	176.1	-170.5	0	0	0	0	110	Q542 W543 C579	Q542-C567 CarbonylContact O-C 3.55Å; W543-C567 HydrophobicContact CE3-CB 4.29Å; W543-C567 HydrophobicContact CZ3-CB 4.15Å; C567-C579 VanDerWaalsContact CA-SG 3.51Å; C567-C579 HydrophobicContact CB-CB 3.8Å; C567-C579 WeakPolarHBondContact CB-SG 3.44Å; C567-C579 WeakPolarHBondContact SG-CB 3.49Å; C567-C579 PolarHBondContact SG-N 3.2Å; C567-C579 CovalentContact SG-SG 2.03Å; C567-C579 PolarHBondContact SG-SG 3.12Å
568	T	74.3	Confident	73.8	Confident	52 Å²	52	56.6 Å²	56.6	32%	0.319	28%	0.281	S	S	.	.			trans	-126.5	-3.4	-168.3	52.8	0	0	0	0	115.5	Q542 S566 P570 R571	Q542-T568 PolarHBondContact O-N 2.84Å; S566-T568 PolarHBondContact O-N 3Å; T568-P570 CarbonylContact O-C 3.58Å; T568-P570 WeakPolarHBondContact O-CA 3.4Å; T568-R571 HydrophobicContact CG2-CG 4.01Å; T568-R571 PolarHBondContact O-N 3.07Å
569	N	74.1	Confident	73.6	Confident	107 Å²	107	56.9 Å²	56.9	57%	0.572	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	60.1	-170.3	-169.7	48.5	0	0	0	114.1	Q542	Q542-N569 VanDerWaalsContact CB-O 3.28Å; Q542-N569 WeakPolarHBondContact CB-O 3.18Å; Q542-N569 PolarHBondContact O-N 3.13Å; Q542-N569 PolarHBondContact OE1-O 2.66Å
570	P	70.8	Confident	72.9	Confident	52 Å²	52	61.7 Å²	61.7	34%	0.338	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.7	169.3	9.5	34.7	-34.4	0	0	0	113.6	V539 G541 Q542 T568	V539-P570 HydrophobicContact CG1-CB 4.01Å; V539-P570 HydrophobicContact CG1-CG 3.62Å; G541-P570 CarbonylContact C-O 3.3Å; G541-P570 VanDerWaalsContact CA-O 3.27Å; G541-P570 WeakPolarHBondContact CA-O 3.18Å; Q542-P570 PolarHBondContact N-O 3.2Å; T568-P570 CarbonylContact O-C 3.58Å; T568-P570 WeakPolarHBondContact O-CA 3.4Å
571	R	65.6	Low	71.8	Confident	113 Å²	113	63.4 Å²	63.4	43%	0.426	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-71.6	146.5	171.9	-68.7	-179.9	-168.3	-173.2	3.7	110.7	T568 Q573	T568-R571 HydrophobicContact CG2-CG 4.01Å; T568-R571 PolarHBondContact O-N 3.07Å; R571-Q573 PolarHBondContact O-N 3.3Å
572	P	68.4	Low	70.8	Confident	6 Å²	6	62.9 Å²	62.9	4%	0.039	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-58.2	128.9	169.5	-15.8	25.8	0	0	0	111	V539 F578	V539-P572 CarbonylContact O-C 3.51Å; V539-P572 VanDerWaalsContact O-CA 3.28Å; V539-P572 WeakPolarHBondContact O-CA 3.41Å; P572-F578 HydrophobicContact CG-CD1 3.73Å; P572-F578 HydrophobicContact CG-CE1 3.97Å; P572-F578 HydrophobicContact CG-CG 4.03Å; P572-F578 HydrophobicContact CG-CZ 4.46Å
573	Q	56.8	Low	70.1	Confident	88 Å²	88	63.5 Å²	63.5	41%	0.411	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-140.8	153.9	175.3	-59.1	-178.2	6.9	0	0	110.7	V539 R571 N575 G576	V539-Q573 HydrophobicContact CB-CB 4.14Å; V539-Q573 HydrophobicContact CG2-CB 4.45Å; V539-Q573 PolarHBondContact N-O 2.88Å; V539-Q573 PolarHBondContact O-N 3.03Å; R571-Q573 PolarHBondContact O-N 3.3Å; Q573-N575 PolarHBondContact O-N 3.08Å; Q573-G576 PolarHBondContact O-N 2.77Å
574	N	58.9	Low	69.6	Low	30 Å²	30	63.4 Å²	63.4	16%	0.16	34%	0.341	C	S	.	.	S	Bend	trans	56.8	51	173.2	-40.2	-54.3	0	0	0	113	R525 P536 R537 A538 G576	R525-N574 PolarHBondContact NH1-OD1 2.77Å; R525-N574 VanDerWaalsContact NH1-OD1 3.17Å; R525-N574 PolarHBondContact NH2-OD1 2.83Å; P536-N574 WeakPolarHBondContact CB-ND2 3.13Å; P536-N574 WeakPolarHBondContact O-CB 3.33Å; P536-N574 PolarHBondContact O-ND2 2.93Å; R537-N574 PolarHBondContact O-ND2 3.46Å; A538-N574 VanDerWaalsContact CA-O 3.29Å; A538-N574 WeakPolarHBondContact CA-O 3.41Å; A538-N574 VanDerWaalsContact CB-O 3.24Å; A538-N574 WeakPolarHBondContact CB-O 3.36Å; N574-G576 PolarHBondContact O-N 3.33Å
575	N	57.3	Low	69.6	Low	130 Å²	130	61.1 Å²	61.1	70%	0.695	33%	0.332	S	S	*	.	S	Bend	trans	60.6	27.5	-172.9	-61.5	-22.2	0	0	0	113.9	Q573	Q573-N575 PolarHBondContact O-N 3.08Å
576	G	59.4	Low	70	Confident	9 Å²	9	61 Å²	61	9%	0.093	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.6	141.5	170	0	0	0	0	0	111.9	V539 H540 Q573 N574	V539-G576 WeakPolarHBondContact O-CA 3.4Å; H540-G576 WeakPolarHBondContact ND1-CA 3.07Å; Q573-G576 PolarHBondContact O-N 2.77Å; N574-G576 PolarHBondContact O-N 3.33Å
577	K	64.8	Low	70.6	Confident	158 Å²	158	63 Å²	63	69%	0.687	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-60.5	138.3	175.9	-62.5	-179.3	179	-178.8	0	110.9	H540 G541	H540-K577 PolarHBondContact ND1-N 2.58Å; H540-K577 VanDerWaalsContact ND1-N 3.14Å; G541-K577 PolarHBondContact N-O 3.08Å
578	F	69	Low	71.2	Confident	28 Å²	28	63.1 Å²	63.1	12%	0.123	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.9	158	168.9	-80.9	-95.1	0	0	0	111.2	I282 D285 P572 P580	I282-F578 HydrophobicContact CG2-CZ 4.48Å; D285-F578 HydrophobicContact CB-CB 3.98Å; D285-F578 HydrophobicContact CB-CD2 3.81Å; D285-F578 HydrophobicContact CB-CE2 4.48Å; D285-F578 HydrophobicContact CB-CG 3.9Å; P572-F578 HydrophobicContact CG-CD1 3.73Å; P572-F578 HydrophobicContact CG-CE1 3.97Å; P572-F578 HydrophobicContact CG-CG 4.03Å; P572-F578 HydrophobicContact CG-CZ 4.46Å; F578-P580 WeakPolarHBondContact O-CD 3.22Å
579	C	77.3	Confident	71.9	Confident	14 Å²	14	61 Å²	61	10%	0.095	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-66	124.6	-179.6	-59.2	0	0	0	0	110.7	G541 Q542 W543 C567	G541-C579 PolarHBondContact O-SG 2.9Å; G541-C579 VanDerWaalsContact O-SG 3.36Å; Q542-C579 WeakPolarHBondContact CA-SG 3.45Å; Q542-C579 PolarHBondContact N-SG 3.38Å; W543-C579 HydrophobicContact CD2-CB 3.58Å; W543-C579 HydrophobicContact CE3-CB 4.1Å; W543-C579 HydrophobicContact CG-CB 4.03Å; W543-C579 HydrophobicContact CH2-CB 4.02Å; W543-C579 HydrophobicContact CZ2-CB 3.48Å; W543-C579 VanDerWaalsContact CZ2-CB 3.48Å; W543-C579 WeakPolarHBondContact CZ2-O 3.43Å; W543-C579 HydrophobicContact CZ3-CB 4.31Å; W543-C579 PolarHBondContact N-SG 2.01Å; W543-C579 VanDerWaalsContact N-SG 3.42Å; C567-C579 VanDerWaalsContact CA-SG 3.51Å; C567-C579 HydrophobicContact CB-CB 3.8Å; C567-C579 WeakPolarHBondContact CB-SG 3.44Å; C567-C579 WeakPolarHBondContact SG-CB 3.49Å; C567-C579 PolarHBondContact SG-N 3.2Å; C567-C579 CovalentContact SG-SG 2.03Å; C567-C579 PolarHBondContact SG-SG 3.12Å
580	P	71.4	Confident	72.5	Confident	100 Å²	100	59.6 Å²	59.6	65%	0.649	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-72.3	135.5	177.1	28.1	-33.2	0	0	0	111.3	W543 F578	W543-P580 PolarHBondContact NE1-O 2.92Å; F578-P580 WeakPolarHBondContact O-CD 3.22Å
581	G	67.4	Low	72.9	Confident	40 Å²	40	60 Å²	60	41%	0.412	32%	0.319	S	S	.	.	S	Bend	trans	112.2	179.1	175.5	0	0	0	0	0	114.5	W543	W543-G581 VanDerWaalsContact CZ2-O 3.29Å; W543-G581 WeakPolarHBondContact CZ2-O 3.03Å
582	S	67.3	Low	73.8	Confident	33 Å²	33	64.5 Å²	64.5	23%	0.231	34%	0.336	C	S	.	.			trans	-76.5	144.4	-177.5	62.1	0	0	0	0	112.8	R565 R584	R565-S582 PolarHBondContact NE-O 2.82Å; R565-S582 PolarHBondContact NH2-O 2.68Å; S582-R584 PolarHBondContact OG-O 3.13Å
583	T	72	Confident	74.3	Confident	76 Å²	76	69.7 Å²	69.7	47%	0.466	37%	0.369	S	S	.	.	S	Bend	trans	-77	-26.4	172.9	51.5	0	0	0	0	112.1	W543 E564 R565	W543-T583 HydrophobicContact CH2-CG2 3.67Å; W543-T583 HydrophobicContact CZ3-CG2 3.89Å; E564-T583 CarbonylContact C-O 3.57Å; E564-T583 VanDerWaalsContact CA-O 3.31Å; E564-T583 WeakPolarHBondContact CA-O 3.08Å; R565-T583 PolarHBondContact N-O 2.96Å
584	R	77.4	Confident	75.4	Confident	67 Å²	67	67.3 Å²	67.3	25%	0.253	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.3	-177.1	-169	171.3	177.6	-165.4	-5.5	110.2	F562 S582 D654	F562-R584 HydrophobicContact CB-CG 4.16Å; F562-R584 HydrophobicContact CD2-CG 4.21Å; F562-R584 VanDerWaalsContact CE1-NH2 3.3Å; F562-R584 VanDerWaalsContact CG-NE 3.26Å; F562-R584 VanDerWaalsContact CG-NH2 3.33Å; S582-R584 PolarHBondContact OG-O 3.13Å; R584-D654 IonicContact NH2-OD2 3.58Å; R584-D654 PolarHBondContact NH2-OD2 3.45Å
585	L	82.7	Confident	76.6	Confident	61 Å²	61	70.4 Å²	70.4	32%	0.319	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.7	173.7	-175.4	71.9	0	0	0	108.8	W546 W549 F562 R563	W546-L585 HydrophobicContact CH2-CB 3.63Å; W546-L585 HydrophobicContact CZ2-CB 4.32Å; W546-L585 HydrophobicContact CZ3-CB 3.73Å; W549-L585 HydrophobicContact CH2-CD2 4.07Å; W549-L585 HydrophobicContact CH2-CG 4.35Å; F562-L585 CarbonylContact C-O 3.51Å; F562-L585 WeakPolarHBondContact CA-O 3.24Å; R563-L585 HydrophobicContact CG-CB 4.12Å; R563-L585 PolarHBondContact N-O 2.75Å; R563-L585 PolarHBondContact O-N 2.05Å
586	N	86.5	Confident	77.1	Confident	42 Å²	42	70.6 Å²	70.6	23%	0.225	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	143.5	-179	-57.3	-46.5	0	0	0	110.3	V560 F562 I667 L680	V560-N586 HydrophobicContact CG1-CB 4.08Å; F562-N586 WeakPolarHBondContact CB-OD1 3.22Å; N586-I667 HydrophobicContact CB-CD1 4.22Å; N586-I667 HydrophobicContact CB-CG2 4.43Å; N586-I667 WeakPolarHBondContact ND2-CG2 3.36Å; N586-L680 HydrophobicContact CB-CD1 4.23Å
587	Q	86.3	Confident	77.5	Confident	96 Å²	96	79.7 Å²	79.7	45%	0.449	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.6	177.7	-175	173.6	-19.7	0	0	110.6	W549 V560 M561	W549-Q587 HydrophobicContact CH2-CB 3.55Å; W549-Q587 HydrophobicContact CH2-CG 4.48Å; W549-Q587 HydrophobicContact CZ2-CB 4.42Å; W549-Q587 HydrophobicContact CZ3-CB 3.65Å; V560-Q587 WeakPolarHBondContact CA-O 3.35Å; M561-Q587 HydrophobicContact CG-CB 4.32Å; M561-Q587 PolarHBondContact N-O 3.4Å; M561-Q587 PolarHBondContact O-N 3.01Å
588	L	87	Confident	77.7	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.12	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.9	172.7	-78.6	153.7	0	0	0	111.4	G559 V560 T591 V665 V674 R678 L680	G559-L588 CarbonylContact O-C 3.45Å; G559-L588 WeakPolarHBondContact O-CA 3.4Å; V560-L588 HydrophobicContact CG2-CD2 4.5Å; L588-T591 HydrophobicContact CB-CG2 4.32Å; L588-V665 HydrophobicContact CD2-CG1 4.28Å; L588-V665 HydrophobicContact CD2-CG2 4.37Å; L588-V674 HydrophobicContact CD1-CB 4.25Å; L588-V674 HydrophobicContact CD1-CG1 3.34Å; L588-V674 HydrophobicContact CD1-CG2 3.82Å; L588-R678 WeakPolarHBondContact CD1-O 3.14Å; L588-L680 HydrophobicContact CD1-CD2 4.26Å; L588-L680 HydrophobicContact CD1-CG 3.76Å; L588-L680 HydrophobicContact CG-CD1 4.07Å; L588-L680 HydrophobicContact CG-CD2 4.32Å; L588-L680 HydrophobicContact CG-CG 3.79Å
589	C	88.6	Confident	77.8	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.061	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.2	179.2	52.2	0	0	0	0	110.4	C552 G559 M561 T591	C552-C589 VanDerWaalsContact CA-SG 3.5Å; C552-C589 HydrophobicContact CB-CB 3.86Å; C552-C589 WeakPolarHBondContact CB-SG 3.24Å; C552-C589 WeakPolarHBondContact SG-CB 3.34Å; C552-C589 CovalentContact SG-SG 2.01Å; C552-C589 PolarHBondContact SG-SG 3.45Å; G559-C589 PolarHBondContact N-O 2.88Å; G559-C589 PolarHBondContact O-N 2.92Å; G559-C589 PolarHBondContact O-SG 3.07Å; M561-C589 HydrophobicContact CB-CB 4.48Å; M561-C589 HydrophobicContact CE-CB 3.28Å; M561-C589 HydrophobicContact CG-CB 3.98Å; M561-C589 PolarHBondContact N-SG 3.22Å; M561-C589 VanDerWaalsContact N-SG 3.4Å; M561-C589 HydrophobicContact SD-CB 4.28Å; C589-T591 PolarHBondContact O-N 3.22Å
590	N	86.9	Confident	78	Confident	76 Å²	76	82.9 Å²	82.9	41%	0.406	46%	0.463	S	S	.	.			trans	50.1	50	177.8	-62.5	-26.3	0	0	0	114.1	C552 R554 T555 C556 G557 G558 R592	C552-N590 WeakPolarHBondContact CB-ND2 3.48Å; C552-N590 PolarHBondContact SG-ND2 3.4Å; R554-N590 WeakPolarHBondContact O-CB 3.46Å; R554-N590 PolarHBondContact O-ND2 3.13Å; T555-N590 WeakPolarHBondContact O-CB 3.44Å; C556-N590 CarbonylContact C-O 3.51Å; G557-N590 PolarHBondContact N-O 2.94Å; G558-N590 PolarHBondContact N-O 3.46Å; N590-R592 PolarHBondContact O-N 3.32Å
591	T	80.8	Confident	78.7	Confident	60 Å²	60	79.3 Å²	79.3	37%	0.368	44%	0.438	S	S	.	.			trans	-71.5	-3.7	-176	53.1	0	0	0	0	114.8	L588 C589 R678	L588-T591 HydrophobicContact CB-CG2 4.32Å; C589-T591 PolarHBondContact O-N 3.22Å; T591-R678 HydrophobicContact CG2-CB 4.36Å
592	R	82.6	Confident	79.7	Confident	209 Å²	209	78.1 Å²	78.1	79%	0.789	42%	0.421	S	S	*	.	S	Bend	trans	-66.5	135	178.1	-59	-176.9	-160.6	178.3	6.1	109.6	G557 N590	G557-R592 PolarHBondContact N-O 2.91Å; N590-R592 PolarHBondContact O-N 3.32Å
593	P	79.1	Confident	80.6	Confident	115 Å²	115	77.8 Å²	77.8	75%	0.747	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-53.9	142.8	179	-24.1	32.4	0	0	0	112
594	C	80.6	Confident	81.4	Confident	38 Å²	38	78.2 Å²	78.2	26%	0.257	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.9	154.4	171.3	-69.2	0	0	0	0	110.7	C556 G557 A598	C556-C594 HydrophobicContact CB-CB 4Å; C556-C594 WeakPolarHBondContact CB-SG 3.45Å; C556-C594 PolarHBondContact O-SG 3.09Å; C556-C594 VanDerWaalsContact O-SG 3.35Å; C556-C594 WeakPolarHBondContact SG-CA 3.38Å; C556-C594 WeakPolarHBondContact SG-CB 3.36Å; C556-C594 CovalentContact SG-SG 2.05Å; C556-C594 PolarHBondContact SG-SG 3.41Å; G557-C594 PolarHBondContact N-SG 2.83Å; C594-A598 HydrophobicContact CB-CB 3.77Å
595	P	84.1	Confident	82	Confident	95 Å²	95	75.3 Å²	75.3	62%	0.617	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-54.1	146.9	173.1	-23.5	32.9	0	0	0	111.7	K597 A598	P595-K597 PolarHBondContact O-N 3.26Å; P595-A598 WeakPolarHBondContact O-CB 3.33Å; P595-A598 PolarHBondContact O-N 2.62Å
596	S	68.4	Low	82.3	Confident	133 Å²	133	72.4 Å²	72.4	93%	0.93	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.3	-175.2	50.2	0	0	0	0	115.8
597	K	67.6	Low	82.4	Confident	200 Å²	200	72.3 Å²	72.3	87%	0.87	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	3.6	174	-68.6	-176.7	178.3	-179.3	0	113.8	P595 L599	P595-K597 PolarHBondContact O-N 3.26Å; K597-L599 PolarHBondContact O-N 3.08Å
598	A	68.4	Low	82.6	Confident	51 Å²	51	72.3 Å²	72.3	42%	0.421	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-69.7	129.1	179.1	0	0	0	0	0	110	C594 P595	C594-A598 HydrophobicContact CB-CB 3.77Å; P595-A598 WeakPolarHBondContact O-CB 3.33Å; P595-A598 PolarHBondContact O-N 2.62Å
599	L	72.1	Confident	82.6	Confident	131 Å²	131	73.8 Å²	73.8	69%	0.686	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-62.7	142	172.4	-67	169.9	0	0	0	109.7	K597 Q604	K597-L599 PolarHBondContact O-N 3.08Å; L599-Q604 HydrophobicContact CB-CG 4Å; L599-Q604 PolarHBondContact O-NE2 3.23Å
600	D	81.6	Confident	82.5	Confident	85 Å²	85	75.6 Å²	75.6	46%	0.455	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-54.9	139.9	175.6	173.1	46.8	0	0	0	111.4	R602 A603 Q604	D600-R602 VanDerWaalsContact C-N 3.31Å; D600-R602 PolarHBondContact O-N 3.02Å; D600-R602 WeakPolarHBondContact OD2-CB 3.44Å; D600-R602 PolarHBondContact OD2-N 3.03Å; D600-A603 HydrophobicContact CB-CB 3.99Å; D600-A603 WeakPolarHBondContact O-CB 3.5Å; D600-A603 PolarHBondContact O-N 3.45Å; D600-A603 VanDerWaalsContact O-N 3.17Å; D600-A603 PolarHBondContact OD2-N 2.78Å; D600-Q604 WeakPolarHBondContact O-CG 3.34Å; D600-Q604 PolarHBondContact O-N 3.26Å
601	F	85.8	Confident	82.3	Confident	26 Å²	26	76.8 Å²	76.8	11%	0.114	42%	0.424	C	S	.	.	H	α-helix	trans	-69	-30	-173.5	-171.4	-117.8	0	0	0	112.3	R554 Q605 K653 T656	R554-F601 HydrophobicContact CG-CD1 4.26Å; R554-F601 HydrophobicContact CG-CD2 4.3Å; R554-F601 HydrophobicContact CG-CE1 3.89Å; R554-F601 HydrophobicContact CG-CE2 3.95Å; R554-F601 HydrophobicContact CG-CG 4.44Å; R554-F601 HydrophobicContact CG-CZ 3.72Å; F601-Q605 WeakPolarHBondContact O-CG 3.45Å; F601-Q605 PolarHBondContact O-N 3.48Å; F601-Q605 PolarHBondContact O-NE2 3.32Å; F601-K653 HydrophobicContact CE1-CB 3.85Å; F601-K653 HydrophobicContact CZ-CB 3.99Å; F601-K653 HydrophobicContact CZ-CD 4.21Å; F601-T656 HydrophobicContact CD1-CG2 4.41Å; F601-T656 WeakPolarHBondContact CD1-OG1 3.27Å; F601-T656 WeakPolarHBondContact CE1-OG1 3.27Å
602	R	87.9	Confident	82.5	Confident	14 Å²	14	79.3 Å²	79.3	5%	0.053	43%	0.43	C	S	.	.	H	α-helix	trans	-73.2	-39	172.4	-168.6	-178.4	-90	125.8	1.7	110.5	D600 Q604 Q605 C606 P623 I632 L635 T656 S657	D600-R602 VanDerWaalsContact C-N 3.31Å; D600-R602 PolarHBondContact O-N 3.02Å; D600-R602 WeakPolarHBondContact OD2-CB 3.44Å; D600-R602 PolarHBondContact OD2-N 3.03Å; R602-Q604 VanDerWaalsContact C-N 3.34Å; R602-Q604 PolarHBondContact O-N 3.49Å; R602-Q605 WeakPolarHBondContact O-CB 3.35Å; R602-Q605 PolarHBondContact O-N 3.33Å; R602-C606 PolarHBondContact O-N 2.98Å; R602-C606 VanDerWaalsContact O-N 3.15Å; R602-P623 HydrophobicContact CB-CB 4.3Å; R602-P623 HydrophobicContact CG-CB 3.85Å; R602-I632 PolarHBondContact NH2-O 2.92Å; R602-L635 HydrophobicContact CG-CD1 4.09Å; R602-T656 HydrophobicContact CB-CG2 3.84Å; R602-T656 HydrophobicContact CG-CG2 4.3Å; R602-S657 VanDerWaalsContact CZ-O 3.27Å; R602-S657 PolarHBondContact NH1-O 2.81Å; R602-S657 PolarHBondContact NH2-O 2.96Å
603	A	87.1	Confident	82.4	Confident	27 Å²	27	73.1 Å²	73.1	22%	0.223	42%	0.417	C	S	.	.	H	α-helix	trans	-60.3	-40.7	174	0	0	0	0	0	113	D600 Q605 C606 A607 P623	D600-A603 HydrophobicContact CB-CB 3.99Å; D600-A603 WeakPolarHBondContact O-CB 3.5Å; D600-A603 PolarHBondContact O-N 3.45Å; D600-A603 VanDerWaalsContact O-N 3.17Å; D600-A603 PolarHBondContact OD2-N 2.78Å; A603-Q605 VanDerWaalsContact C-N 3.31Å; A603-Q605 PolarHBondContact O-N 2.91Å; A603-C606 PolarHBondContact O-N 3.13Å; A603-A607 WeakPolarHBondContact O-CB 3.28Å; A603-A607 PolarHBondContact O-N 3.47Å; A603-P623 HydrophobicContact CB-CG 3.92Å
604	Q	88.2	Confident	82.1	Confident	84 Å²	84	70.1 Å²	70.1	39%	0.393	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-40.7	175	-70	174.9	19.8	0	0	112	L599 D600 R602 A607 E608	L599-Q604 HydrophobicContact CB-CG 4Å; L599-Q604 PolarHBondContact O-NE2 3.23Å; D600-Q604 WeakPolarHBondContact O-CG 3.34Å; D600-Q604 PolarHBondContact O-N 3.26Å; R602-Q604 VanDerWaalsContact C-N 3.34Å; R602-Q604 PolarHBondContact O-N 3.49Å; Q604-A607 PolarHBondContact O-N 2.93Å; Q604-E608 PolarHBondContact O-N 3.2Å
605	Q	89.9	Confident	81.9	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.028	42%	0.416	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178	-70.7	170.6	70.2	0	0	112.5	F601 R602 A603 A607 E608 Y609 L635 K653 T656	F601-Q605 WeakPolarHBondContact O-CG 3.45Å; F601-Q605 PolarHBondContact O-N 3.48Å; F601-Q605 PolarHBondContact O-NE2 3.32Å; R602-Q605 WeakPolarHBondContact O-CB 3.35Å; R602-Q605 PolarHBondContact O-N 3.33Å; A603-Q605 VanDerWaalsContact C-N 3.31Å; A603-Q605 PolarHBondContact O-N 2.91Å; Q605-A607 VanDerWaalsContact C-N 3.33Å; Q605-E608 WeakPolarHBondContact O-CB 3.41Å; Q605-E608 PolarHBondContact O-N 3.24Å; Q605-Y609 WeakPolarHBondContact O-CD2 3.16Å; Q605-L635 HydrophobicContact CB-CD1 3.75Å; Q605-L635 HydrophobicContact CB-CD2 4.03Å; Q605-K653 HydrophobicContact CG-CD 4.12Å; Q605-K653 HydrophobicContact CG-CG 4.34Å; Q605-T656 PolarHBondContact NE2-OG1 3.18Å
606	C	89.2	Confident	81.5	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-65	-39	172.5	-72.8	0	0	0	0	111.5	R602 A603 E608 Y609 W621 C637	R602-C606 PolarHBondContact O-N 2.98Å; R602-C606 VanDerWaalsContact O-N 3.15Å; A603-C606 PolarHBondContact O-N 3.13Å; C606-E608 PolarHBondContact O-N 3.43Å; C606-Y609 WeakPolarHBondContact O-CB 3.47Å; C606-Y609 PolarHBondContact O-N 3.32Å; C606-W621 HydrophobicContact CB-CB 4Å; C606-C637 VanDerWaalsContact CA-SG 3.51Å; C606-C637 HydrophobicContact CB-CB 3.93Å; C606-C637 WeakPolarHBondContact CB-SG 3.48Å; C606-C637 WeakPolarHBondContact SG-CB 3.38Å; C606-C637 CovalentContact SG-SG 2.05Å; C606-C637 PolarHBondContact SG-SG 2.65Å
607	A	89.2	Confident	81.9	Confident	41 Å²	41	78.6 Å²	78.6	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-25.7	179.7	0	0	0	0	0	113.7	A603 Q604 Q605 Y609 N610	A603-A607 WeakPolarHBondContact O-CB 3.28Å; A603-A607 PolarHBondContact O-N 3.47Å; Q604-A607 PolarHBondContact O-N 2.93Å; Q605-A607 VanDerWaalsContact C-N 3.33Å; A607-Y609 PolarHBondContact O-N 3.23Å; A607-N610 VanDerWaalsContact O-CB 3.28Å; A607-N610 WeakPolarHBondContact O-CB 3.5Å; A607-N610 PolarHBondContact O-N 3.25Å
608	E	89.1	Confident	82.7	Confident	96 Å²	96	76.7 Å²	76.7	45%	0.449	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.9	172	-69.4	175.9	-161.6	0	0	112.7	Q604 Q605 C606 K653	Q604-E608 PolarHBondContact O-N 3.2Å; Q605-E608 WeakPolarHBondContact O-CB 3.41Å; Q605-E608 PolarHBondContact O-N 3.24Å; C606-E608 PolarHBondContact O-N 3.43Å; E608-K653 IonicContact OE1-NZ 2.75Å; E608-K653 PolarHBondContact OE1-NZ 3.22Å; E608-K653 IonicContact OE2-NZ 3.79Å; E608-K653 PolarHBondContact OE2-NZ 3.5Å
609	Y	86.6	Confident	83.5	Confident	54 Å²	54	76.4 Å²	76.4	21%	0.212	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9	176.8	-69	-98.4	0	0	0	113.3	Q605 C606 A607 S611 K612 L635 M648	Q605-Y609 WeakPolarHBondContact O-CD2 3.16Å; C606-Y609 WeakPolarHBondContact O-CB 3.47Å; C606-Y609 PolarHBondContact O-N 3.32Å; A607-Y609 PolarHBondContact O-N 3.23Å; Y609-S611 PolarHBondContact O-N 3.12Å; Y609-K612 HydrophobicContact CD1-CD 4.15Å; Y609-K612 PolarHBondContact O-N 3.22Å; Y609-L635 HydrophobicContact CD2-CD2 4.46Å; Y609-L635 HydrophobicContact CE2-CD2 3.8Å; Y609-M648 HydrophobicContact CD1-CB 4.25Å; Y609-M648 HydrophobicContact CD1-CG 4.33Å; Y609-M648 HydrophobicContact CD1-SD 3.96Å; Y609-M648 HydrophobicContact CD2-CB 4.2Å; Y609-M648 HydrophobicContact CD2-CG 4.47Å; Y609-M648 HydrophobicContact CE1-CB 3.93Å; Y609-M648 HydrophobicContact CE1-CG 4.48Å; Y609-M648 HydrophobicContact CE1-SD 4.28Å; Y609-M648 HydrophobicContact CE2-CB 3.92Å; Y609-M648 HydrophobicContact CG-CB 4.36Å; Y609-M648 HydrophobicContact CG-CG 4.31Å; Y609-M648 HydrophobicContact CG-SD 4.36Å; Y609-M648 PolarHBondContact OH-O 3.34Å
610	N	86.6	Confident	84.3	Confident	46 Å²	46	75.9 Å²	75.9	25%	0.246	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.3	177.6	-64.8	-5.7	0	0	0	112	A607 K612 Y619 W621	A607-N610 VanDerWaalsContact O-CB 3.28Å; A607-N610 WeakPolarHBondContact O-CB 3.5Å; A607-N610 PolarHBondContact O-N 3.25Å; N610-K612 VanDerWaalsContact C-N 3.32Å; N610-Y619 PolarHBondContact OD1-O 2.88Å; N610-W621 WeakPolarHBondContact OD1-CB 3.13Å; N610-W621 VanDerWaalsContact OD1-CD1 3.31Å; N610-W621 PolarHBondContact OD1-N 3.43Å
611	S	84.3	Confident	84.6	Confident	102 Å²	102	72.2 Å²	72.2	71%	0.713	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	1.4	178.6	-51.6	0	0	0	0	113.5	Y609	Y609-S611 PolarHBondContact O-N 3.12Å
612	K	83.5	Confident	84.7	Confident	112 Å²	112	75.5 Å²	75.5	49%	0.487	37%	0.369	S	S	.	.	S	Bend	trans	-109.7	130.9	-179.2	-65	-179.7	-176	171.8	0	109.9	Y609 N610 F614	Y609-K612 HydrophobicContact CD1-CD 4.15Å; Y609-K612 PolarHBondContact O-N 3.22Å; N610-K612 VanDerWaalsContact C-N 3.32Å; K612-F614 PolarHBondContact O-N 3.04Å
613	P	80.8	Confident	84.7	Confident	79 Å²	79	76.8 Å²	76.8	51%	0.513	38%	0.379	S	S	.	.			trans	-69.6	124.5	176.5	27.8	-32.8	0	0	0	110	W617 Y618	P613-W617 CarbonylContact C-O 3.54Å; P613-W617 WeakPolarHBondContact CA-O 3.2Å; P613-Y618 HydrophobicContact CB-CE1 4.22Å
614	F	73.9	Confident	84.6	Confident	53 Å²	53	78.1 Å²	78.1	23%	0.232	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-105.7	115.7	172.8	-174.6	-99.9	0	0	0	108.4	K612 G616 W617 Y619 W621 F646 M648	K612-F614 PolarHBondContact O-N 3.04Å; F614-G616 PolarHBondContact O-N 3.46Å; F614-G616 VanDerWaalsContact O-N 3.15Å; F614-W617 PolarHBondContact N-O 3.14Å; F614-W617 PolarHBondContact O-N 2.9Å; F614-W617 VanDerWaalsContact O-N 3.08Å; F614-Y619 HydrophobicContact CB-CD2 4.11Å; F614-Y619 HydrophobicContact CB-CE2 4.29Å; F614-Y619 HydrophobicContact CD1-CD2 4.43Å; F614-Y619 HydrophobicContact CD1-CE2 4.16Å; F614-W621 HydrophobicContact CB-CZ2 3.98Å; F614-W621 HydrophobicContact CD1-CH2 4.14Å; F614-W621 HydrophobicContact CD1-CZ2 4.03Å; F614-W621 HydrophobicContact CD2-CZ2 4.47Å; F614-W621 HydrophobicContact CE1-CH2 4.36Å; F614-W621 HydrophobicContact CG-CH2 4.4Å; F614-W621 AromaticContact CG-CZ2 3.91Å; F614-W621 HydrophobicContact CG-CZ2 3.91Å; F614-F646 HydrophobicContact CE1-CD2 4.02Å; F614-F646 HydrophobicContact CE1-CE2 4.06Å; F614-F646 HydrophobicContact CZ-CD1 4.47Å; F614-F646 AromaticContact CZ-CD2 3.93Å; F614-F646 HydrophobicContact CZ-CD2 3.93Å; F614-F646 HydrophobicContact CZ-CE2 4.22Å; F614-F646 HydrophobicContact CZ-CG 4.08Å; F614-M648 HydrophobicContact CD2-CE 4.35Å; F614-M648 HydrophobicContact CE2-CE 4.29Å
615	R	75.8	Confident	84.2	Confident	199 Å²	199	77 Å²	77	75%	0.751	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	35.5	-174.8	-60.9	-177.9	172.5	-178.5	-3.2	113.6
616	G	75.9	Confident	83.5	Confident	64 Å²	64	85.3 Å²	85.3	66%	0.66	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-4.4	178	0	0	0	0	0	115.6	F614	F614-G616 PolarHBondContact O-N 3.46Å; F614-G616 VanDerWaalsContact O-N 3.15Å
617	W	76.6	Confident	82.8	Confident	181 Å²	181	86.9 Å²	86.9	69%	0.686	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-120.5	156	-178.4	-60.6	87.3	0	0	0	111.8	P613 F614 Y619	P613-W617 CarbonylContact C-O 3.54Å; P613-W617 WeakPolarHBondContact CA-O 3.2Å; F614-W617 PolarHBondContact N-O 3.14Å; F614-W617 PolarHBondContact O-N 2.9Å; F614-W617 VanDerWaalsContact O-N 3.08Å; W617-Y619 HydrophobicContact CB-CD2 4.44Å; W617-Y619 HydrophobicContact CB-CE2 3.65Å
618	Y	85.1	Confident	81.9	Confident	160 Å²	160	90.9 Å²	90.9	63%	0.627	44%	0.439	S	S	*	.			trans	-100	130.6	173.6	-64	-87.8	0	0	0	109.2	P613	P613-Y618 HydrophobicContact CB-CE1 4.22Å
619	Y	85.2	Confident	80.9	Confident	44 Å²	44	94.7 Å²	94.7	17%	0.173	46%	0.457	C	S	.	.			trans	-122.7	152	178	-60.1	-83.6	0	0	0	109.5	N610 F614 W617 W621 A639 F642 F644	N610-Y619 PolarHBondContact OD1-O 2.88Å; F614-Y619 HydrophobicContact CB-CD2 4.11Å; F614-Y619 HydrophobicContact CB-CE2 4.29Å; F614-Y619 HydrophobicContact CD1-CD2 4.43Å; F614-Y619 HydrophobicContact CD1-CE2 4.16Å; W617-Y619 HydrophobicContact CB-CD2 4.44Å; W617-Y619 HydrophobicContact CB-CE2 3.65Å; Y619-W621 AromaticContact CD2-CZ2 3.93Å; Y619-W621 HydrophobicContact CD2-CZ2 3.93Å; Y619-W621 HydrophobicContact CG-CZ2 4.23Å; Y619-A639 HydrophobicContact CD1-CB 4.07Å; Y619-A639 HydrophobicContact CG-CB 4.29Å; Y619-F642 HydrophobicContact CD1-CD2 4.11Å; Y619-F642 AromaticContact CD1-CE2 3.86Å; Y619-F642 HydrophobicContact CD1-CE2 3.86Å; Y619-F642 HydrophobicContact CE1-CD2 4.29Å; Y619-F642 AromaticContact CE1-CE2 3.9Å; Y619-F642 HydrophobicContact CE1-CE2 3.9Å; Y619-F642 HydrophobicContact CE1-CZ 4.11Å; Y619-F644 HydrophobicContact CD1-CZ 4.22Å; Y619-F644 AromaticContact CE1-CZ 3.88Å; Y619-F644 HydrophobicContact CE1-CZ 3.88Å
620	K	88.7	Confident	79.9	Confident	120 Å²	120	100.3 Å²	100.3	52%	0.522	49%	0.485	S	S	.	.			trans	-94.2	106.5	170.9	-172	166.4	162.9	-131.9	0	108.5	E640	K620-E640 HydrophobicContact CB-CB 4.15Å; K620-E640 WeakPolarHBondContact CD-OE2 3.4Å; K620-E640 WeakPolarHBondContact CE-OE2 3.44Å; K620-E640 WeakPolarHBondContact CG-OE2 3.37Å; K620-E640 VanDerWaalsContact NZ-CD 3.34Å; K620-E640 IonicContact NZ-OE1 3.39Å; K620-E640 PolarHBondContact NZ-OE1 3.33Å; K620-E640 IonicContact NZ-OE2 2.77Å; K620-E640 PolarHBondContact NZ-OE2 2.81Å; K620-E640 VanDerWaalsContact O-CB 3.24Å; K620-E640 WeakPolarHBondContact O-CB 3.35Å; K620-E640 PolarHBondContact O-N 3.43Å
621	W	88.3	Confident	79.3	Confident	9 Å²	9	100.3 Å²	100.3	3%	0.034	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	134.4	-173	-63.4	99.9	0	0	0	111.8	C606 N610 F614 Y619 C637 I638 A639 F644 M648	C606-W621 HydrophobicContact CB-CB 4Å; N610-W621 WeakPolarHBondContact OD1-CB 3.13Å; N610-W621 VanDerWaalsContact OD1-CD1 3.31Å; N610-W621 PolarHBondContact OD1-N 3.43Å; F614-W621 HydrophobicContact CB-CZ2 3.98Å; F614-W621 HydrophobicContact CD1-CH2 4.14Å; F614-W621 HydrophobicContact CD1-CZ2 4.03Å; F614-W621 HydrophobicContact CD2-CZ2 4.47Å; F614-W621 HydrophobicContact CE1-CH2 4.36Å; F614-W621 HydrophobicContact CG-CH2 4.4Å; F614-W621 AromaticContact CG-CZ2 3.91Å; F614-W621 HydrophobicContact CG-CZ2 3.91Å; Y619-W621 AromaticContact CD2-CZ2 3.93Å; Y619-W621 HydrophobicContact CD2-CZ2 3.93Å; Y619-W621 HydrophobicContact CG-CZ2 4.23Å; W621-C637 HydrophobicContact CB-CB 4.03Å; W621-C637 HydrophobicContact CD2-CB 4.24Å; W621-C637 HydrophobicContact CE3-CB 3.7Å; W621-C637 HydrophobicContact CG-CB 4.41Å; W621-I638 WeakPolarHBondContact CA-O 3.16Å; W621-A639 HydrophobicContact CE3-CB 4.31Å; W621-A639 HydrophobicContact CH2-CB 4.48Å; W621-A639 HydrophobicContact CZ3-CB 4.11Å; W621-F644 HydrophobicContact CH2-CE2 4Å; W621-F644 HydrophobicContact CZ3-CE2 4.33Å; W621-M648 HydrophobicContact CD2-CE 3.79Å; W621-M648 HydrophobicContact CE3-CE 3.61Å; W621-M648 HydrophobicContact CH2-CE 3.07Å; W621-M648 HydrophobicContact CZ2-CE 3.25Å; W621-M648 HydrophobicContact CZ3-CE 3.26Å
622	K	87.6	Confident	79.2	Confident	95 Å²	95	96.7 Å²	96.7	41%	0.413	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151	171.5	-72.9	-179	179.8	168.2	0	110	C637 I638 E640	K622-C637 CarbonylContact O-C 3.53Å; K622-C637 WeakPolarHBondContact O-CA 3.48Å; K622-I638 HydrophobicContact CB-CG2 4.03Å; K622-I638 PolarHBondContact N-O 2.96Å; K622-I638 PolarHBondContact O-N 2.9Å; K622-E640 HydrophobicContact CD-CB 4.47Å; K622-E640 HydrophobicContact CD-CG 4.42Å; K622-E640 WeakPolarHBondContact CE-OE1 3.42Å; K622-E640 WeakPolarHBondContact CE-OE2 3.48Å; K622-E640 IonicContact NZ-OE1 2.79Å; K622-E640 PolarHBondContact NZ-OE1 2.99Å; K622-E640 IonicContact NZ-OE2 3.93Å
623	P	88	Confident	79.4	Confident	41 Å²	41	91.4 Å²	91.4	27%	0.266	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.1	179.1	30.2	-34.7	0	0	0	110.8	R602 A603	R602-P623 HydrophobicContact CB-CB 4.3Å; R602-P623 HydrophobicContact CG-CB 3.85Å; A603-P623 HydrophobicContact CB-CG 3.92Å
624	Y	84.8	Confident	79.5	Confident	55 Å²	55	90.9 Å²	90.9	22%	0.216	42%	0.424	C	S	.	.			trans	-112.1	115.1	174.8	-175.2	-97.7	0	0	0	109.2	K626 V627 Y636 I638 F645	Y624-K626 HydrophobicContact CE1-CB 4.11Å; Y624-K626 WeakPolarHBondContact CE1-O 3.4Å; Y624-K626 HydrophobicContact CE2-CB 4.18Å; Y624-V627 HydrophobicContact CD1-CG1 3.76Å; Y624-V627 HydrophobicContact CE1-CG1 3.72Å; Y624-Y636 PolarHBondContact N-O 2.72Å; Y624-Y636 WeakPolarHBondContact O-CB 3.5Å; Y624-I638 HydrophobicContact CD2-CB 4.29Å; Y624-I638 HydrophobicContact CD2-CD1 4.31Å; Y624-I638 HydrophobicContact CD2-CG2 4.41Å; Y624-F645 HydrophobicContact CD1-CB 4.35Å; Y624-F645 AromaticContact CD1-CD2 3.8Å; Y624-F645 HydrophobicContact CD1-CD2 3.8Å; Y624-F645 HydrophobicContact CD1-CE2 4.21Å; Y624-F645 AromaticContact CD1-CG 3.97Å; Y624-F645 HydrophobicContact CD1-CG 3.97Å; Y624-F645 HydrophobicContact CD2-CB 4.42Å; Y624-F645 HydrophobicContact CE1-CD1 4.15Å; Y624-F645 AromaticContact CE1-CD2 3.89Å; Y624-F645 HydrophobicContact CE1-CD2 3.89Å; Y624-F645 HydrophobicContact CE1-CE1 4.17Å; Y624-F645 AromaticContact CE1-CE2 3.9Å; Y624-F645 HydrophobicContact CE1-CE2 3.9Å; Y624-F645 HydrophobicContact CE1-CG 4.02Å; Y624-F645 HydrophobicContact CE1-CZ 4.04Å; Y624-F645 HydrophobicContact CE2-CD1 4.35Å; Y624-F645 HydrophobicContact CG-CB 4.15Å; Y624-F645 HydrophobicContact CG-CD2 4.44Å; Y624-F645 HydrophobicContact CG-CG 4.23Å
625	T	78.3	Confident	80	Confident	60 Å²	60	88.6 Å²	88.6	37%	0.368	41%	0.414	S	S	.	.			trans	-115.1	1.9	-174.6	55.4	0	0	0	0	113.8	V627	T625-V627 PolarHBondContact O-N 3.48Å
626	K	76.1	Confident	80.4	Confident	180 Å²	180	80.6 Å²	80.6	78%	0.783	38%	0.384	S	S	*	.			trans	-81	57.6	174.9	-62.8	-176.6	179.2	-176.9	0	110.5	Y624	Y624-K626 HydrophobicContact CE1-CB 4.11Å; Y624-K626 WeakPolarHBondContact CE1-O 3.4Å; Y624-K626 HydrophobicContact CE2-CB 4.18Å
627	V	74.1	Confident	80.9	Confident	33 Å²	33	77.6 Å²	77.6	20%	0.2	35%	0.353	C	S	.	.	S	Bend	trans	-125.6	161	179.1	-64.6	0	0	0	0	109.2	Y624 T625 D631 I632 Y636	Y624-V627 HydrophobicContact CD1-CG1 3.76Å; Y624-V627 HydrophobicContact CE1-CG1 3.72Å; T625-V627 PolarHBondContact O-N 3.48Å; V627-D631 HydrophobicContact CB-CB 4.33Å; V627-D631 HydrophobicContact CG2-CB 4.42Å; V627-I632 HydrophobicContact CG2-CB 4.19Å; V627-I632 HydrophobicContact CG2-CG1 4.46Å; V627-Y636 HydrophobicContact CB-CD2 4.47Å; V627-Y636 HydrophobicContact CB-CE2 4.5Å; V627-Y636 HydrophobicContact CG1-CD2 3.82Å; V627-Y636 HydrophobicContact CG1-CE2 4.08Å; V627-Y636 HydrophobicContact CG1-CG 4.1Å; V627-Y636 HydrophobicContact CG2-CD2 4.22Å; V627-Y636 HydrophobicContact CG2-CE2 4.48Å
628	D	71.3	Confident	81.4	Confident	125 Å²	125	70.9 Å²	70.9	67%	0.668	33%	0.33	S	S	*	.			trans	-58.2	153.7	176.4	-66.5	-43.9	0	0	0	111.9	E630 D631 I632	D628-E630 PolarHBondContact O-N 3.05Å; D628-E630 VanDerWaalsContact O-N 3.08Å; D628-D631 PolarHBondContact O-N 2.68Å; D628-I632 PolarHBondContact O-N 3.34Å; D628-I632 VanDerWaalsContact O-N 3.12Å
629	E	66.8	Low	81.4	Confident	177 Å²	177	63.4 Å²	63.4	83%	0.827	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.6	-177.3	-68.3	-170.4	161.9	0	0	113.2	D631 I632	E629-D631 VanDerWaalsContact C-N 3.31Å; E629-I632 VanDerWaalsContact O-CG2 3.3Å; E629-I632 WeakPolarHBondContact O-CG2 3.21Å
630	E	65.9	Low	81.3	Confident	171 Å²	171	63.3 Å²	63.3	80%	0.799	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-26.5	178.1	-62.2	175	-174.6	0	0	112.2	D628	D628-E630 PolarHBondContact O-N 3.05Å; D628-E630 VanDerWaalsContact O-N 3.08Å
631	D	75.2	Confident	80.8	Confident	46 Å²	46	65 Å²	65	25%	0.246	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-9.2	-171.7	-84.9	-4.7	0	0	0	113.1	V627 D628 E629 C633 K634 Y636	V627-D631 HydrophobicContact CB-CB 4.33Å; V627-D631 HydrophobicContact CG2-CB 4.42Å; D628-D631 PolarHBondContact O-N 2.68Å; E629-D631 VanDerWaalsContact C-N 3.31Å; D631-C633 PolarHBondContact O-N 2.96Å; D631-C633 VanDerWaalsContact O-N 3.09Å; D631-K634 HydrophobicContact CB-CD 4.31Å; D631-K634 VanDerWaalsContact O-CB 3.31Å; D631-K634 WeakPolarHBondContact O-CB 3.42Å; D631-K634 PolarHBondContact O-N 2.97Å; D631-K634 WeakPolarHBondContact OD1-CE 3.4Å; D631-K634 IonicContact OD1-NZ 3.71Å; D631-K634 PolarHBondContact OD1-NZ 2.99Å; D631-K634 IonicContact OD2-NZ 3.66Å; D631-Y636 HydrophobicContact CB-CE2 4.02Å; D631-Y636 WeakPolarHBondContact O-CE2 3.48Å; D631-Y636 PolarHBondContact OD2-OH 3.45Å
632	I	82.1	Confident	80.4	Confident	26 Å²	26	69.4 Å²	69.4	13%	0.133	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	-178.8	-160.1	152.7	0	0	0	114	R602 V627 D628 E629 K634 C658 C671	R602-I632 PolarHBondContact NH2-O 2.92Å; V627-I632 HydrophobicContact CG2-CB 4.19Å; V627-I632 HydrophobicContact CG2-CG1 4.46Å; D628-I632 PolarHBondContact O-N 3.34Å; D628-I632 VanDerWaalsContact O-N 3.12Å; E629-I632 VanDerWaalsContact O-CG2 3.3Å; E629-I632 WeakPolarHBondContact O-CG2 3.21Å; I632-K634 VanDerWaalsContact C-N 3.34Å; I632-C658 WeakPolarHBondContact CD1-O 3.34Å; I632-C658 HydrophobicContact CG2-CB 3.69Å; I632-C671 HydrophobicContact CG2-CB 4.34Å
633	C	86.6	Confident	79.7	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.007	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4.5	176.4	-72.9	0	0	0	0	114.1	D631 K651 V652 C666 G669 C671	D631-C633 PolarHBondContact O-N 2.96Å; D631-C633 VanDerWaalsContact O-N 3.09Å; C633-K651 CarbonylContact O-C 3.58Å; C633-K651 WeakPolarHBondContact O-CA 3.26Å; C633-V652 HydrophobicContact CB-CG2 4.49Å; C633-V652 WeakPolarHBondContact O-CG2 2.97Å; C633-V652 PolarHBondContact O-N 3.31Å; C633-C666 WeakPolarHBondContact CA-SG 3.33Å; C633-C666 HydrophobicContact CB-CB 3.81Å; C633-C666 WeakPolarHBondContact CB-SG 3.33Å; C633-C666 WeakPolarHBondContact SG-CA 3.46Å; C633-C666 WeakPolarHBondContact SG-CB 3.08Å; C633-C666 CovalentContact SG-SG 2.05Å; C633-C666 PolarHBondContact SG-SG 3.26Å; C633-G669 WeakPolarHBondContact CB-O 3.48Å; C633-C671 PolarHBondContact SG-N 3.23Å
634	K	83.4	Confident	79.1	Confident	69 Å²	69	73.8 Å²	73.8	30%	0.3	36%	0.36	S	S	.	.	S	Bend	trans	-86.1	154.1	161.3	-58.8	171.5	177.4	168.1	0	109.4	D631 I632 Y636	D631-K634 HydrophobicContact CB-CD 4.31Å; D631-K634 VanDerWaalsContact O-CB 3.31Å; D631-K634 WeakPolarHBondContact O-CB 3.42Å; D631-K634 PolarHBondContact O-N 2.97Å; D631-K634 WeakPolarHBondContact OD1-CE 3.4Å; D631-K634 IonicContact OD1-NZ 3.71Å; D631-K634 PolarHBondContact OD1-NZ 2.99Å; D631-K634 IonicContact OD2-NZ 3.66Å; I632-K634 VanDerWaalsContact C-N 3.34Å; K634-Y636 HydrophobicContact CB-CD2 4.02Å; K634-Y636 HydrophobicContact CB-CE2 3.6Å; K634-Y636 HydrophobicContact CD-CE2 3.97Å; K634-Y636 HydrophobicContact CG-CE2 4.37Å; K634-Y636 PolarHBondContact O-N 3.32Å
635	L	83.6	Confident	78.9	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	86.3	-179.9	-174.2	67.5	0	0	0	109.9	R602 Q605 Y609 A647 M648 S649 V652	R602-L635 HydrophobicContact CG-CD1 4.09Å; Q605-L635 HydrophobicContact CB-CD1 3.75Å; Q605-L635 HydrophobicContact CB-CD2 4.03Å; Y609-L635 HydrophobicContact CD2-CD2 4.46Å; Y609-L635 HydrophobicContact CE2-CD2 3.8Å; L635-A647 CarbonylContact O-C 3.55Å; L635-A647 WeakPolarHBondContact O-CA 3.11Å; L635-M648 HydrophobicContact CD2-CB 4.09Å; L635-M648 HydrophobicContact CG-CB 4.37Å; L635-M648 PolarHBondContact O-N 3.29Å; L635-S649 PolarHBondContact N-O 2.92Å; L635-V652 HydrophobicContact CB-CG1 3.96Å; L635-V652 HydrophobicContact CD1-CG1 4Å
636	Y	85.1	Confident	78.8	Confident	32 Å²	32	75.9 Å²	75.9	13%	0.125	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.5	169.9	-69.1	-83.1	0	0	0	110.7	Y624 V627 D631 K634 F645 F646 A647	Y624-Y636 PolarHBondContact N-O 2.72Å; Y624-Y636 WeakPolarHBondContact O-CB 3.5Å; V627-Y636 HydrophobicContact CB-CD2 4.47Å; V627-Y636 HydrophobicContact CB-CE2 4.5Å; V627-Y636 HydrophobicContact CG1-CD2 3.82Å; V627-Y636 HydrophobicContact CG1-CE2 4.08Å; V627-Y636 HydrophobicContact CG1-CG 4.1Å; V627-Y636 HydrophobicContact CG2-CD2 4.22Å; V627-Y636 HydrophobicContact CG2-CE2 4.48Å; D631-Y636 HydrophobicContact CB-CE2 4.02Å; D631-Y636 WeakPolarHBondContact O-CE2 3.48Å; D631-Y636 PolarHBondContact OD2-OH 3.45Å; K634-Y636 HydrophobicContact CB-CD2 4.02Å; K634-Y636 HydrophobicContact CB-CE2 3.6Å; K634-Y636 HydrophobicContact CD-CE2 3.97Å; K634-Y636 HydrophobicContact CG-CE2 4.37Å; K634-Y636 PolarHBondContact O-N 3.32Å; Y636-F645 AromaticContact CD1-CD2 3.88Å; Y636-F645 HydrophobicContact CD1-CD2 3.88Å; Y636-F645 HydrophobicContact CD1-CE2 4.17Å; Y636-F645 HydrophobicContact CE1-CD2 4.49Å; Y636-F645 HydrophobicContact CE1-CE2 4.37Å; Y636-F646 WeakPolarHBondContact CA-O 3.35Å; Y636-A647 HydrophobicContact CD1-CB 3.97Å; Y636-A647 HydrophobicContact CE1-CB 3.71Å
637	C	86.9	Confident	78.9	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.2	175.7	-52.5	0	0	0	0	110.1	C606 W621 K622 F645 F646 M648	C606-C637 VanDerWaalsContact CA-SG 3.51Å; C606-C637 HydrophobicContact CB-CB 3.93Å; C606-C637 WeakPolarHBondContact CB-SG 3.48Å; C606-C637 WeakPolarHBondContact SG-CB 3.38Å; C606-C637 CovalentContact SG-SG 2.05Å; C606-C637 PolarHBondContact SG-SG 2.65Å; W621-C637 HydrophobicContact CB-CB 4.03Å; W621-C637 HydrophobicContact CD2-CB 4.24Å; W621-C637 HydrophobicContact CE3-CB 3.7Å; W621-C637 HydrophobicContact CG-CB 4.41Å; K622-C637 CarbonylContact O-C 3.53Å; K622-C637 WeakPolarHBondContact O-CA 3.48Å; C637-F645 WeakPolarHBondContact O-CA 3.31Å; C637-F646 PolarHBondContact N-O 3.16Å; C637-F646 PolarHBondContact O-N 2.8Å; C637-M648 HydrophobicContact CB-CG 3.97Å
638	I	86.2	Confident	79.1	Confident	41 Å²	41	69.6 Å²	69.6	21%	0.21	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.1	173.4	-175.8	162.9	0	0	0	109.1	W621 K622 Y624 F644 F645	W621-I638 WeakPolarHBondContact CA-O 3.16Å; K622-I638 HydrophobicContact CB-CG2 4.03Å; K622-I638 PolarHBondContact N-O 2.96Å; K622-I638 PolarHBondContact O-N 2.9Å; Y624-I638 HydrophobicContact CD2-CB 4.29Å; Y624-I638 HydrophobicContact CD2-CD1 4.31Å; Y624-I638 HydrophobicContact CD2-CG2 4.41Å; I638-F644 WeakPolarHBondContact CG1-O 3.5Å; I638-F645 HydrophobicContact CB-CB 4.06Å; I638-F645 HydrophobicContact CG1-CB 4.47Å
639	A	86.3	Confident	79.4	Confident	2 Å²	2	65.5 Å²	65.5	2%	0.017	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.5	175.3	0	0	0	0	0	109.8	Y619 W621 D641 F642 F644	Y619-A639 HydrophobicContact CD1-CB 4.07Å; Y619-A639 HydrophobicContact CG-CB 4.29Å; W621-A639 HydrophobicContact CE3-CB 4.31Å; W621-A639 HydrophobicContact CH2-CB 4.48Å; W621-A639 HydrophobicContact CZ3-CB 4.11Å; A639-D641 PolarHBondContact O-N 3.28Å; A639-F642 HydrophobicContact CB-CB 4.05Å; A639-F642 HydrophobicContact CB-CD2 3.96Å; A639-F642 HydrophobicContact CB-CG 4.39Å; A639-F642 PolarHBondContact O-N 3.17Å; A639-F642 VanDerWaalsContact O-N 3.13Å; A639-F644 HydrophobicContact CB-CE2 3.82Å; A639-F644 HydrophobicContact CB-CZ 3.84Å; A639-F644 PolarHBondContact N-O 3.11Å
640	E	81.4	Confident	79.6	Confident	43 Å²	43	61.2 Å²	61.2	20%	0.201	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	129.3	174	-170.7	167.4	-159	0	0	108.9	K620 K622 F642	K620-E640 HydrophobicContact CB-CB 4.15Å; K620-E640 WeakPolarHBondContact CD-OE2 3.4Å; K620-E640 WeakPolarHBondContact CE-OE2 3.44Å; K620-E640 WeakPolarHBondContact CG-OE2 3.37Å; K620-E640 VanDerWaalsContact NZ-CD 3.34Å; K620-E640 IonicContact NZ-OE1 3.39Å; K620-E640 PolarHBondContact NZ-OE1 3.33Å; K620-E640 IonicContact NZ-OE2 2.77Å; K620-E640 PolarHBondContact NZ-OE2 2.81Å; K620-E640 VanDerWaalsContact O-CB 3.24Å; K620-E640 WeakPolarHBondContact O-CB 3.35Å; K620-E640 PolarHBondContact O-N 3.43Å; K622-E640 HydrophobicContact CD-CB 4.47Å; K622-E640 HydrophobicContact CD-CG 4.42Å; K622-E640 WeakPolarHBondContact CE-OE1 3.42Å; K622-E640 WeakPolarHBondContact CE-OE2 3.48Å; K622-E640 IonicContact NZ-OE1 2.79Å; K622-E640 PolarHBondContact NZ-OE1 2.99Å; K622-E640 IonicContact NZ-OE2 3.93Å; E640-F642 VanDerWaalsContact C-N 3.33Å; E640-F642 WeakPolarHBondContact O-CD2 3.42Å
641	D	79.8	Confident	80.3	Confident	156 Å²	156	57 Å²	57	83%	0.834	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	10.8	-176.2	-44.3	-44.5	0	0	0	115.9	A639	A639-D641 PolarHBondContact O-N 3.28Å
642	F	78.6	Confident	80.9	Confident	101 Å²	101	55 Å²	55	44%	0.443	29%	0.285	S	S	.	.	S	Bend	trans	-132.3	149.7	173.2	-59.5	-92	0	0	0	112.4	Y619 A639 E640 F644	Y619-F642 HydrophobicContact CD1-CD2 4.11Å; Y619-F642 AromaticContact CD1-CE2 3.86Å; Y619-F642 HydrophobicContact CD1-CE2 3.86Å; Y619-F642 HydrophobicContact CE1-CD2 4.29Å; Y619-F642 AromaticContact CE1-CE2 3.9Å; Y619-F642 HydrophobicContact CE1-CE2 3.9Å; Y619-F642 HydrophobicContact CE1-CZ 4.11Å; A639-F642 HydrophobicContact CB-CB 4.05Å; A639-F642 HydrophobicContact CB-CD2 3.96Å; A639-F642 HydrophobicContact CB-CG 4.39Å; A639-F642 PolarHBondContact O-N 3.17Å; A639-F642 VanDerWaalsContact O-N 3.13Å; E640-F642 VanDerWaalsContact C-N 3.33Å; E640-F642 WeakPolarHBondContact O-CD2 3.42Å; F642-F644 VanDerWaalsContact C-N 3.33Å; F642-F644 HydrophobicContact CB-CD1 3.67Å; F642-F644 HydrophobicContact CB-CE1 3.4Å; F642-F644 VanDerWaalsContact CB-CE1 3.4Å; F642-F644 HydrophobicContact CB-CZ 4.08Å; F642-F644 HydrophobicContact CD1-CD1 4.46Å; F642-F644 AromaticContact CD1-CE1 3.72Å; F642-F644 HydrophobicContact CD1-CE1 3.72Å; F642-F644 HydrophobicContact CD2-CE1 4.41Å; F642-F644 HydrophobicContact CG-CD1 4.32Å; F642-F644 AromaticContact CG-CE1 3.6Å; F642-F644 HydrophobicContact CG-CE1 3.6Å; F642-F644 HydrophobicContact CG-CZ 4.18Å; F642-F644 PolarHBondContact O-N 2.96Å
643	D	73.8	Confident	81.1	Confident	167 Å²	167	58.1 Å²	58.1	89%	0.893	30%	0.298	S	S	*	.	S	Bend	trans	-91	19.4	-177.1	-70.7	-32	0	0	0	114.5
644	F	75.4	Confident	81.1	Confident	61 Å²	61	59.4 Å²	59.4	27%	0.268	31%	0.305	S	S	.	.			trans	-111.2	140.7	176.3	65.5	-100	0	0	0	112.2	Y619 W621 I638 A639 F642 F646	Y619-F644 HydrophobicContact CD1-CZ 4.22Å; Y619-F644 AromaticContact CE1-CZ 3.88Å; Y619-F644 HydrophobicContact CE1-CZ 3.88Å; W621-F644 HydrophobicContact CH2-CE2 4Å; W621-F644 HydrophobicContact CZ3-CE2 4.33Å; I638-F644 WeakPolarHBondContact CG1-O 3.5Å; A639-F644 HydrophobicContact CB-CE2 3.82Å; A639-F644 HydrophobicContact CB-CZ 3.84Å; A639-F644 PolarHBondContact N-O 3.11Å; F642-F644 VanDerWaalsContact C-N 3.33Å; F642-F644 HydrophobicContact CB-CD1 3.67Å; F642-F644 HydrophobicContact CB-CE1 3.4Å; F642-F644 VanDerWaalsContact CB-CE1 3.4Å; F642-F644 HydrophobicContact CB-CZ 4.08Å; F642-F644 HydrophobicContact CD1-CD1 4.46Å; F642-F644 AromaticContact CD1-CE1 3.72Å; F642-F644 HydrophobicContact CD1-CE1 3.72Å; F642-F644 HydrophobicContact CD2-CE1 4.41Å; F642-F644 HydrophobicContact CG-CD1 4.32Å; F642-F644 AromaticContact CG-CE1 3.6Å; F642-F644 HydrophobicContact CG-CE1 3.6Å; F642-F644 HydrophobicContact CG-CZ 4.18Å; F642-F644 PolarHBondContact O-N 2.96Å; F644-F646 HydrophobicContact CB-CE2 4.33Å; F644-F646 AromaticContact CD2-CD2 3.67Å; F644-F646 HydrophobicContact CD2-CD2 3.67Å; F644-F646 AromaticContact CD2-CE2 3.43Å; F644-F646 HydrophobicContact CD2-CE2 3.43Å; F644-F646 VanDerWaalsContact CD2-CE2 3.43Å; F644-F646 HydrophobicContact CE2-CD2 4.21Å; F644-F646 HydrophobicContact CE2-CE2 4.05Å; F644-F646 HydrophobicContact CG-CE2 4.15Å
645	F	80.1	Confident	81.2	Confident	86 Å²	86	56.1 Å²	56.1	38%	0.377	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.9	174.9	66.7	-84.7	0	0	0	110.4	Y624 Y636 C637 I638	Y624-F645 HydrophobicContact CD1-CB 4.35Å; Y624-F645 AromaticContact CD1-CD2 3.8Å; Y624-F645 HydrophobicContact CD1-CD2 3.8Å; Y624-F645 HydrophobicContact CD1-CE2 4.21Å; Y624-F645 AromaticContact CD1-CG 3.97Å; Y624-F645 HydrophobicContact CD1-CG 3.97Å; Y624-F645 HydrophobicContact CD2-CB 4.42Å; Y624-F645 HydrophobicContact CE1-CD1 4.15Å; Y624-F645 AromaticContact CE1-CD2 3.89Å; Y624-F645 HydrophobicContact CE1-CD2 3.89Å; Y624-F645 HydrophobicContact CE1-CE1 4.17Å; Y624-F645 AromaticContact CE1-CE2 3.9Å; Y624-F645 HydrophobicContact CE1-CE2 3.9Å; Y624-F645 HydrophobicContact CE1-CG 4.02Å; Y624-F645 HydrophobicContact CE1-CZ 4.04Å; Y624-F645 HydrophobicContact CE2-CD1 4.35Å; Y624-F645 HydrophobicContact CG-CB 4.15Å; Y624-F645 HydrophobicContact CG-CD2 4.44Å; Y624-F645 HydrophobicContact CG-CG 4.23Å; Y636-F645 AromaticContact CD1-CD2 3.88Å; Y636-F645 HydrophobicContact CD1-CD2 3.88Å; Y636-F645 HydrophobicContact CD1-CE2 4.17Å; Y636-F645 HydrophobicContact CE1-CD2 4.49Å; Y636-F645 HydrophobicContact CE1-CE2 4.37Å; C637-F645 WeakPolarHBondContact O-CA 3.31Å; I638-F645 HydrophobicContact CB-CB 4.06Å; I638-F645 HydrophobicContact CG1-CB 4.47Å
646	F	76.8	Confident	81.4	Confident	72 Å²	72	56 Å²	56	32%	0.316	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150	178.5	-74.3	-80.6	0	0	0	111	F614 Y636 C637 F644 M648	F614-F646 HydrophobicContact CE1-CD2 4.02Å; F614-F646 HydrophobicContact CE1-CE2 4.06Å; F614-F646 HydrophobicContact CZ-CD1 4.47Å; F614-F646 AromaticContact CZ-CD2 3.93Å; F614-F646 HydrophobicContact CZ-CD2 3.93Å; F614-F646 HydrophobicContact CZ-CE2 4.22Å; F614-F646 HydrophobicContact CZ-CG 4.08Å; Y636-F646 WeakPolarHBondContact CA-O 3.35Å; C637-F646 PolarHBondContact N-O 3.16Å; C637-F646 PolarHBondContact O-N 2.8Å; F644-F646 HydrophobicContact CB-CE2 4.33Å; F644-F646 AromaticContact CD2-CD2 3.67Å; F644-F646 HydrophobicContact CD2-CD2 3.67Å; F644-F646 AromaticContact CD2-CE2 3.43Å; F644-F646 HydrophobicContact CD2-CE2 3.43Å; F644-F646 VanDerWaalsContact CD2-CE2 3.43Å; F644-F646 HydrophobicContact CE2-CD2 4.21Å; F644-F646 HydrophobicContact CE2-CE2 4.05Å; F644-F646 HydrophobicContact CG-CE2 4.15Å; F646-M648 HydrophobicContact CB-CE 4.02Å; F646-M648 PolarHBondContact O-N 2.82Å
647	A	78.3	Confident	81.4	Confident	56 Å²	56	56.7 Å²	56.7	46%	0.463	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	105.5	169.2	0	0	0	0	0	109.6	L635 Y636	L635-A647 CarbonylContact O-C 3.55Å; L635-A647 WeakPolarHBondContact O-CA 3.11Å; Y636-A647 HydrophobicContact CD1-CB 3.97Å; Y636-A647 HydrophobicContact CE1-CB 3.71Å
648	M	77.6	Confident	81.2	Confident	26 Å²	26	57 Å²	57	13%	0.128	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-22.6	179.2	-68.8	-60.4	162.5	0	0	113.1	Y609 F614 W621 L635 C637 F646	Y609-M648 HydrophobicContact CD1-CB 4.25Å; Y609-M648 HydrophobicContact CD1-CG 4.33Å; Y609-M648 HydrophobicContact CD1-SD 3.96Å; Y609-M648 HydrophobicContact CD2-CB 4.2Å; Y609-M648 HydrophobicContact CD2-CG 4.47Å; Y609-M648 HydrophobicContact CE1-CB 3.93Å; Y609-M648 HydrophobicContact CE1-CG 4.48Å; Y609-M648 HydrophobicContact CE1-SD 4.28Å; Y609-M648 HydrophobicContact CE2-CB 3.92Å; Y609-M648 HydrophobicContact CG-CB 4.36Å; Y609-M648 HydrophobicContact CG-CG 4.31Å; Y609-M648 HydrophobicContact CG-SD 4.36Å; Y609-M648 PolarHBondContact OH-O 3.34Å; F614-M648 HydrophobicContact CD2-CE 4.35Å; F614-M648 HydrophobicContact CE2-CE 4.29Å; W621-M648 HydrophobicContact CD2-CE 3.79Å; W621-M648 HydrophobicContact CE3-CE 3.61Å; W621-M648 HydrophobicContact CH2-CE 3.07Å; W621-M648 HydrophobicContact CZ2-CE 3.25Å; W621-M648 HydrophobicContact CZ3-CE 3.26Å; L635-M648 HydrophobicContact CD2-CB 4.09Å; L635-M648 HydrophobicContact CG-CB 4.37Å; L635-M648 PolarHBondContact O-N 3.29Å; C637-M648 HydrophobicContact CB-CG 3.97Å; F646-M648 HydrophobicContact CB-CE 4.02Å; F646-M648 PolarHBondContact O-N 2.82Å
649	S	76.9	Confident	80.5	Confident	38 Å²	38	56.8 Å²	56.8	27%	0.266	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.5	176.2	175.8	0	0	0	0	109.8	L635 K651	L635-S649 PolarHBondContact N-O 2.92Å; S649-K651 WeakPolarHBondContact CB-O 3.23Å; S649-K651 PolarHBondContact O-N 2.67Å; S649-K651 PolarHBondContact OG-N 2.78Å; S649-K651 PolarHBondContact OG-O 3.25Å
650	S	70.8	Confident	79.3	Confident	87 Å²	87	62.2 Å²	62.2	61%	0.608	33%	0.332	S	S	*	.	S	Bend	trans	-70.4	-9.8	175.3	62.3	0	0	0	0	113.7
651	K	82	Confident	77.9	Confident	84 Å²	84	64.9 Å²	64.9	37%	0.365	35%	0.345	S	S	.	.	S	Bend	trans	-148.2	143.4	171.4	63.9	-178.7	-178.1	178.1	0	112.4	C633 S649 D668	C633-K651 CarbonylContact O-C 3.58Å; C633-K651 WeakPolarHBondContact O-CA 3.26Å; S649-K651 WeakPolarHBondContact CB-O 3.23Å; S649-K651 PolarHBondContact O-N 2.67Å; S649-K651 PolarHBondContact OG-N 2.78Å; S649-K651 PolarHBondContact OG-O 3.25Å; K651-D668 IonicContact NZ-OD1 3.73Å; K651-D668 PolarHBondContact NZ-OD1 3.4Å
652	V	86.2	Confident	76.8	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.012	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-76.6	160.5	164.6	-59.2	0	0	0	0	110.4	C633 L635 T656 C666	C633-V652 HydrophobicContact CB-CG2 4.49Å; C633-V652 WeakPolarHBondContact O-CG2 2.97Å; C633-V652 PolarHBondContact O-N 3.31Å; L635-V652 HydrophobicContact CB-CG1 3.96Å; L635-V652 HydrophobicContact CD1-CG1 4Å; V652-T656 HydrophobicContact CB-CG2 4.18Å; V652-T656 HydrophobicContact CG2-CG2 4.02Å; V652-C666 HydrophobicContact CG2-CB 3.38Å; V652-C666 WeakPolarHBondContact CG2-SG 3.43Å
653	K	87.2	Confident	76.4	Confident	93 Å²	93	65.5 Å²	65.5	40%	0.404	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-61.1	136.7	174.7	-68.3	179.4	-176.9	171.1	0	110.3	F601 Q605 E608 G655 T656	F601-K653 HydrophobicContact CE1-CB 3.85Å; F601-K653 HydrophobicContact CZ-CB 3.99Å; F601-K653 HydrophobicContact CZ-CD 4.21Å; Q605-K653 HydrophobicContact CG-CD 4.12Å; Q605-K653 HydrophobicContact CG-CG 4.34Å; E608-K653 IonicContact OE1-NZ 2.75Å; E608-K653 PolarHBondContact OE1-NZ 3.22Å; E608-K653 IonicContact OE2-NZ 3.79Å; E608-K653 PolarHBondContact OE2-NZ 3.5Å; K653-G655 PolarHBondContact O-N 3.47Å; K653-T656 WeakPolarHBondContact O-CB 3.29Å; K653-T656 PolarHBondContact O-N 2.92Å; K653-T656 VanDerWaalsContact O-N 3.1Å; K653-T656 PolarHBondContact O-OG1 3.03Å
654	D	87	Confident	76.7	Confident	27 Å²	27	57.7 Å²	57.7	14%	0.144	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.3	-178.9	-66.6	-14.6	0	0	0	110.9	S553 V560 R584 C666 D668	S553-D654 WeakPolarHBondContact CB-O 3.39Å; S553-D654 PolarHBondContact OG-O 2.89Å; V560-D654 HydrophobicContact CB-CB 4.26Å; R584-D654 IonicContact NH2-OD2 3.58Å; R584-D654 PolarHBondContact NH2-OD2 3.45Å; D654-C666 CarbonylContact C-O 3.53Å; D654-C666 WeakPolarHBondContact CA-O 3.17Å; D654-D668 PolarHBondContact OD1-N 3.38Å
655	G	85.5	Confident	77.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	5.9	-173.9	0	0	0	0	0	115.3	R554 K653 C666	R554-G655 WeakPolarHBondContact CD-O 3.35Å; R554-G655 PolarHBondContact NH1-O 3.37Å; R554-G655 VanDerWaalsContact NH1-O 3.13Å; K653-G655 PolarHBondContact O-N 3.47Å; G655-C666 PolarHBondContact N-O 2.8Å
656	T	88.4	Confident	77.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.267	C	S	.	.			trans	-70.1	136.3	166.3	-54.7	0	0	0	0	109.9	F601 R602 Q605 V652 K653 C658 C666	F601-T656 HydrophobicContact CD1-CG2 4.41Å; F601-T656 WeakPolarHBondContact CD1-OG1 3.27Å; F601-T656 WeakPolarHBondContact CE1-OG1 3.27Å; R602-T656 HydrophobicContact CB-CG2 3.84Å; R602-T656 HydrophobicContact CG-CG2 4.3Å; Q605-T656 PolarHBondContact NE2-OG1 3.18Å; V652-T656 HydrophobicContact CB-CG2 4.18Å; V652-T656 HydrophobicContact CG2-CG2 4.02Å; K653-T656 WeakPolarHBondContact O-CB 3.29Å; K653-T656 PolarHBondContact O-N 2.92Å; K653-T656 VanDerWaalsContact O-N 3.1Å; K653-T656 PolarHBondContact O-OG1 3.03Å; T656-C658 PolarHBondContact O-N 3.06Å; T656-C666 PolarHBondContact O-N 2.87Å
657	S	84.8	Confident	77.9	Confident	47 Å²	47	48.4 Å²	48.4	33%	0.329	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-66.6	129.4	179.2	-163.2	0	0	0	0	111.3	R602 S659 G664	R602-S657 VanDerWaalsContact CZ-O 3.27Å; R602-S657 PolarHBondContact NH1-O 2.81Å; R602-S657 PolarHBondContact NH2-O 2.96Å; S657-S659 PolarHBondContact OG-O 3.02Å; S657-G664 WeakPolarHBondContact CA-O 3.37Å; S657-G664 PolarHBondContact OG-O 3.35Å
658	C	83.1	Confident	77.8	Confident	7 Å²	7	48.3 Å²	48.3	5%	0.047	25%	0.246	C	C	.	.			trans	-107.5	-6.5	173.4	52.4	0	0	0	0	114	I632 T656 G664 V665 C666 C671	I632-C658 WeakPolarHBondContact CD1-O 3.34Å; I632-C658 HydrophobicContact CG2-CB 3.69Å; T656-C658 PolarHBondContact O-N 3.06Å; C658-G664 PolarHBondContact N-O 3.13Å; C658-G664 VanDerWaalsContact SG-CA 3.6Å; C658-G664 PolarHBondContact SG-O 2.83Å; C658-V665 VanDerWaalsContact SG-C 3.56Å; C658-V665 PolarHBondContact SG-N 2.86Å; C658-V665 VanDerWaalsContact SG-N 3.37Å; C658-C666 VanDerWaalsContact CB-SG 3.56Å; C658-C671 HydrophobicContact CB-CB 3.62Å; C658-C671 WeakPolarHBondContact CB-SG 3.48Å; C658-C671 WeakPolarHBondContact SG-CA 3.47Å; C658-C671 WeakPolarHBondContact SG-CB 3.24Å; C658-C671 CovalentContact SG-SG 2.02Å; C658-C671 PolarHBondContact SG-SG 3.46Å
659	S	70.9	Confident	77.7	Confident	36 Å²	36	48 Å²	48	25%	0.252	25%	0.25	S	S	.	.			trans	-136.1	139.4	175.4	178.3	0	0	0	0	110.2	S657 H661 R662	S657-S659 PolarHBondContact OG-O 3.02Å; S659-H661 VanDerWaalsContact C-N 3.31Å; S659-R662 WeakPolarHBondContact CB-O 3.38Å; S659-R662 PolarHBondContact OG-N 3.47Å; S659-R662 VanDerWaalsContact OG-N 3.12Å; S659-R662 PolarHBondContact OG-O 3.15Å; S659-R662 VanDerWaalsContact OG-O 3.11Å
660	D	61	Low	77.8	Confident	116 Å²	116	48.9 Å²	48.9	62%	0.62	25%	0.254	S	S	*	.	S	Bend	trans	-80.9	-14.1	-178.8	-63.8	-32.3	0	0	0	112.2
661	H	51.5	Low	78.4	Confident	100 Å²	100	47.2 Å²	47.2	46%	0.463	24%	0.241	S	C	.	.	S	Bend	trans	-137.2	-37.3	-172.5	-67.7	-40.5	0	0	0	115.4	S659	S659-H661 VanDerWaalsContact C-N 3.31Å
662	R	56.6	Low	78.5	Confident	205 Å²	205	45.5 Å²	45.5	77%	0.774	24%	0.235	S	C	*	.	S	Bend	trans	-84.8	136.2	163.6	-64	-179.3	-179.4	-168.4	-0.3	104.7	S659 G664	S659-R662 WeakPolarHBondContact CB-O 3.38Å; S659-R662 PolarHBondContact OG-N 3.47Å; S659-R662 VanDerWaalsContact OG-N 3.12Å; S659-R662 PolarHBondContact OG-O 3.15Å; S659-R662 VanDerWaalsContact OG-O 3.11Å; R662-G664 PolarHBondContact O-N 3.41Å
663	E	71	Confident	78.3	Confident	65 Å²	65	48.2 Å²	48.2	30%	0.304	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	84.3	177.8	-62.3	-169.8	166.3	0	0	106.9	V674 R678	E663-V674 HydrophobicContact CB-CB 3.95Å; E663-V674 WeakPolarHBondContact O-CA 3.36Å; E663-V674 WeakPolarHBondContact O-CB 3.34Å; E663-V674 WeakPolarHBondContact O-CG2 3.49Å; E663-V674 PolarHBondContact O-N 3.49Å; E663-R678 IonicContact OE1-CZ 2.79Å; E663-R678 IonicContact OE1-NE 3.22Å; E663-R678 IonicContact OE1-NH1 3.87Å; E663-R678 PolarHBondContact OE1-NH1 2.94Å; E663-R678 IonicContact OE1-NH2 3.21Å; E663-R678 PolarHBondContact OE1-NH2 3.12Å; E663-R678 WeakPolarHBondContact OE2-CD 3.45Å; E663-R678 IonicContact OE2-CZ 2.95Å; E663-R678 IonicContact OE2-NE 2.96Å; E663-R678 PolarHBondContact OE2-NE 3.23Å; E663-R678 IonicContact OE2-NH1 3.29Å; E663-R678 PolarHBondContact OE2-NH1 2.98Å; E663-R678 IonicContact OE2-NH2 2.66Å
664	G	79.2	Confident	78.1	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.8	-178.8	0	0	0	0	0	108.7	S657 C658 R662 E672	S657-G664 WeakPolarHBondContact CA-O 3.37Å; S657-G664 PolarHBondContact OG-O 3.35Å; C658-G664 PolarHBondContact N-O 3.13Å; C658-G664 VanDerWaalsContact SG-CA 3.6Å; C658-G664 PolarHBondContact SG-O 2.83Å; R662-G664 PolarHBondContact O-N 3.41Å; G664-E672 CarbonylContact C-O 3.57Å; G664-E672 WeakPolarHBondContact CA-O 3.5Å
665	V	87.6	Confident	77.7	Confident	14 Å²	14	43.4 Å²	43.4	9%	0.085	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	174.9	-63.2	0	0	0	0	110.8	V560 L588 C658 I667 E672 V674 L680	V560-V665 HydrophobicContact CG2-CG2 4.39Å; L588-V665 HydrophobicContact CD2-CG1 4.28Å; L588-V665 HydrophobicContact CD2-CG2 4.37Å; C658-V665 VanDerWaalsContact SG-C 3.56Å; C658-V665 PolarHBondContact SG-N 2.86Å; C658-V665 VanDerWaalsContact SG-N 3.37Å; V665-I667 HydrophobicContact CG2-CD1 4.11Å; V665-I667 HydrophobicContact CG2-CG1 4.16Å; V665-I667 PolarHBondContact O-N 3.07Å; V665-E672 PolarHBondContact N-O 3.12Å; V665-E672 PolarHBondContact O-N 3.22Å; V665-V674 HydrophobicContact CB-CG2 4.44Å; V665-V674 HydrophobicContact CG1-CG2 4.06Å; V665-V674 HydrophobicContact CG2-CG2 3.71Å; V665-L680 HydrophobicContact CG2-CD2 3.54Å
666	C	87.2	Confident	77.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.8	172.4	-65.9	0	0	0	0	110.1	C633 V652 D654 G655 T656 C658 V670	C633-C666 WeakPolarHBondContact CA-SG 3.33Å; C633-C666 HydrophobicContact CB-CB 3.81Å; C633-C666 WeakPolarHBondContact CB-SG 3.33Å; C633-C666 WeakPolarHBondContact SG-CA 3.46Å; C633-C666 WeakPolarHBondContact SG-CB 3.08Å; C633-C666 CovalentContact SG-SG 2.05Å; C633-C666 PolarHBondContact SG-SG 3.26Å; V652-C666 HydrophobicContact CG2-CB 3.38Å; V652-C666 WeakPolarHBondContact CG2-SG 3.43Å; D654-C666 CarbonylContact C-O 3.53Å; D654-C666 WeakPolarHBondContact CA-O 3.17Å; G655-C666 PolarHBondContact N-O 2.8Å; T656-C666 PolarHBondContact O-N 2.87Å; C658-C666 VanDerWaalsContact CB-SG 3.56Å; C666-V670 CarbonylContact C-O 3.54Å; C666-V670 WeakPolarHBondContact CA-O 3.47Å
667	I	83.4	Confident	77.1	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.4	172.7	-60	-176.7	0	0	0	107.5	V560 N586 V665 G669 V670 E672 L680	V560-I667 HydrophobicContact CG1-CD1 4.1Å; V560-I667 HydrophobicContact CG1-CG1 4.38Å; V560-I667 HydrophobicContact CG2-CD1 4.01Å; V560-I667 HydrophobicContact CG2-CG1 4.04Å; N586-I667 HydrophobicContact CB-CD1 4.22Å; N586-I667 HydrophobicContact CB-CG2 4.43Å; N586-I667 WeakPolarHBondContact ND2-CG2 3.36Å; V665-I667 HydrophobicContact CG2-CD1 4.11Å; V665-I667 HydrophobicContact CG2-CG1 4.16Å; V665-I667 PolarHBondContact O-N 3.07Å; I667-G669 PolarHBondContact O-N 3.2Å; I667-V670 PolarHBondContact N-O 3.44Å; I667-V670 PolarHBondContact O-N 3.38Å; I667-E672 HydrophobicContact CB-CG 4.18Å; I667-E672 HydrophobicContact CD1-CB 4.27Å; I667-E672 HydrophobicContact CD1-CG 4.29Å; I667-E672 HydrophobicContact CG1-CB 4.5Å; I667-E672 HydrophobicContact CG1-CG 4.43Å; I667-L680 HydrophobicContact CD1-CD1 3.72Å; I667-L680 HydrophobicContact CD1-CD2 3.47Å; I667-L680 VanDerWaalsContact CD1-CD2 3.47Å; I667-L680 HydrophobicContact CD1-CG 4.26Å
668	D	76.1	Confident	76.8	Confident	53 Å²	53	50 Å²	50	28%	0.283	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	36	-178.7	-149.9	25.2	0	0	0	114.7	K651 D654 V670	K651-D668 IonicContact NZ-OD1 3.73Å; K651-D668 PolarHBondContact NZ-OD1 3.4Å; D654-D668 PolarHBondContact OD1-N 3.38Å; D668-V670 VanDerWaalsContact C-N 3.33Å
669	G	74.8	Confident	76.5	Confident	21 Å²	21	54.3 Å²	54.3	22%	0.216	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	0.9	179.2	0	0	0	0	0	114.9	C633 I667	C633-G669 WeakPolarHBondContact CB-O 3.48Å; I667-G669 PolarHBondContact O-N 3.2Å
670	V	79.6	Confident	76.9	Confident	55 Å²	55	54.8 Å²	54.8	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.2	175.5	-178.2	0	0	0	0	110.2	C666 I667 D668 E672	C666-V670 CarbonylContact C-O 3.54Å; C666-V670 WeakPolarHBondContact CA-O 3.47Å; I667-V670 PolarHBondContact N-O 3.44Å; I667-V670 PolarHBondContact O-N 3.38Å; D668-V670 VanDerWaalsContact C-N 3.33Å; V670-E672 PolarHBondContact O-N 3.29Å
671	C	83.5	Confident	77.4	Confident	52 Å²	52	51.9 Å²	51.9	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	105.5	174.8	-177.6	0	0	0	0	110.4	I632 C633 C658	I632-C671 HydrophobicContact CG2-CB 4.34Å; C633-C671 PolarHBondContact SG-N 3.23Å; C658-C671 HydrophobicContact CB-CB 3.62Å; C658-C671 WeakPolarHBondContact CB-SG 3.48Å; C658-C671 WeakPolarHBondContact SG-CA 3.47Å; C658-C671 WeakPolarHBondContact SG-CB 3.24Å; C658-C671 CovalentContact SG-SG 2.02Å; C658-C671 PolarHBondContact SG-SG 3.46Å
672	E	83.4	Confident	78.6	Confident	48 Å²	48	48.5 Å²	48.5	22%	0.224	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.7	177.3	-72.5	-67.9	165.8	0	0	110.5	G664 V665 I667 V670 L680	G664-E672 CarbonylContact C-O 3.57Å; G664-E672 WeakPolarHBondContact CA-O 3.5Å; V665-E672 PolarHBondContact N-O 3.12Å; V665-E672 PolarHBondContact O-N 3.22Å; I667-E672 HydrophobicContact CB-CG 4.18Å; I667-E672 HydrophobicContact CD1-CB 4.27Å; I667-E672 HydrophobicContact CD1-CG 4.29Å; I667-E672 HydrophobicContact CG1-CB 4.5Å; I667-E672 HydrophobicContact CG1-CG 4.43Å; V670-E672 PolarHBondContact O-N 3.29Å; E672-L680 HydrophobicContact CB-CD2 4.27Å
673	A	81.9	Confident	79.5	Confident	60 Å²	60	48.6 Å²	48.6	50%	0.496	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132	177.9	0	0	0	0	0	111	G681	A673-G681 PolarHBondContact O-N 3.09Å
674	V	83.4	Confident	79.9	Confident	15 Å²	15	46.2 Å²	46.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.2	169.9	-168.6	0	0	0	0	108.1	L588 E663 V665 L679 L680	L588-V674 HydrophobicContact CD1-CB 4.25Å; L588-V674 HydrophobicContact CD1-CG1 3.34Å; L588-V674 HydrophobicContact CD1-CG2 3.82Å; E663-V674 HydrophobicContact CB-CB 3.95Å; E663-V674 WeakPolarHBondContact O-CA 3.36Å; E663-V674 WeakPolarHBondContact O-CB 3.34Å; E663-V674 WeakPolarHBondContact O-CG2 3.49Å; E663-V674 PolarHBondContact O-N 3.49Å; V665-V674 HydrophobicContact CB-CG2 4.44Å; V665-V674 HydrophobicContact CG1-CG2 4.06Å; V665-V674 HydrophobicContact CG2-CG2 3.71Å; V674-L679 WeakPolarHBondContact CG1-O 3.39Å; V674-L680 HydrophobicContact CG2-CD2 4.03Å
675	G	79.6	Confident	79.9	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.031	29%	0.294	C	S	.	.			trans	-67.7	163.2	172.9	0	0	0	0	0	111.4	D677 R678 L679 S682 A684	G675-D677 PolarHBondContact O-N 2.62Å; G675-R678 PolarHBondContact O-N 3.01Å; G675-L679 PolarHBondContact N-O 3.22Å; G675-L679 VanDerWaalsContact N-O 3.09Å; G675-S682 WeakPolarHBondContact CA-O 3.06Å; G675-S682 PolarHBondContact N-O 2.79Å; G675-A684 CarbonylContact C-O 3.59Å; G675-A684 VanDerWaalsContact CA-O 3.27Å; G675-A684 WeakPolarHBondContact CA-O 3.22Å
676	C	79.3	Confident	79.6	Confident	26 Å²	26	54.2 Å²	54.2	18%	0.176	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16	174.6	60.3	0	0	0	0	113.8	R678 A684 S685 L686 C692	C676-R678 PolarHBondContact O-N 2.88Å; C676-A684 PolarHBondContact N-O 3.28Å; C676-A684 PolarHBondContact SG-O 3.37Å; C676-A684 VanDerWaalsContact SG-O 3.38Å; C676-S685 PolarHBondContact SG-O 3.04Å; C676-L686 HydrophobicContact CB-CD2 3.74Å; C676-L686 HydrophobicContact CB-CG 3.87Å; C676-C692 HydrophobicContact CB-CB 3.55Å; C676-C692 WeakPolarHBondContact CB-SG 3.25Å; C676-C692 WeakPolarHBondContact SG-CA 3.37Å; C676-C692 WeakPolarHBondContact SG-CB 3.42Å; C676-C692 CovalentContact SG-SG 2.02Å; C676-C692 PolarHBondContact SG-SG 2.98Å
677	D	80.5	Confident	79.4	Confident	41 Å²	41	55.4 Å²	55.4	22%	0.219	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.1	176.7	54.3	-1.4	0	0	0	112.7	G675 L679 S682 A684 C692 K693	G675-D677 PolarHBondContact O-N 2.62Å; D677-L679 PolarHBondContact O-N 3.31Å; D677-S682 VanDerWaalsContact CG-OG 3.28Å; D677-S682 WeakPolarHBondContact OD1-CB 3.14Å; D677-S682 PolarHBondContact OD1-OG 2.86Å; D677-S682 PolarHBondContact OD2-OG 3.29Å; D677-A684 HydrophobicContact CB-CB 4.32Å; D677-A684 WeakPolarHBondContact OD2-CB 3.36Å; D677-C692 PolarHBondContact N-SG 2.9Å; D677-K693 VanDerWaalsContact OD2-CE 3.26Å; D677-K693 WeakPolarHBondContact OD2-CE 3.22Å; D677-K693 IonicContact OD2-NZ 3.75Å; D677-K693 PolarHBondContact OD2-NZ 3.17Å
678	R	78.4	Confident	79.3	Confident	119 Å²	119	56.7 Å²	56.7	45%	0.449	33%	0.332	S	S	.	.	S	Bend	trans	62.1	28	-179.6	-53.5	-71.5	-176.5	177.2	-6.9	112.9	L588 T591 E663 G675 C676	L588-R678 WeakPolarHBondContact CD1-O 3.14Å; T591-R678 HydrophobicContact CG2-CB 4.36Å; E663-R678 IonicContact OE1-CZ 2.79Å; E663-R678 IonicContact OE1-NE 3.22Å; E663-R678 IonicContact OE1-NH1 3.87Å; E663-R678 PolarHBondContact OE1-NH1 2.94Å; E663-R678 IonicContact OE1-NH2 3.21Å; E663-R678 PolarHBondContact OE1-NH2 3.12Å; E663-R678 WeakPolarHBondContact OE2-CD 3.45Å; E663-R678 IonicContact OE2-CZ 2.95Å; E663-R678 IonicContact OE2-NE 2.96Å; E663-R678 PolarHBondContact OE2-NE 3.23Å; E663-R678 IonicContact OE2-NH1 3.29Å; E663-R678 PolarHBondContact OE2-NH1 2.98Å; E663-R678 IonicContact OE2-NH2 2.66Å; G675-R678 PolarHBondContact O-N 3.01Å; C676-R678 PolarHBondContact O-N 2.88Å
679	L	78.4	Confident	79.6	Confident	98 Å²	98	54.6 Å²	54.6	51%	0.513	32%	0.322	S	S	.	.			trans	-110	132.9	177.7	-65.8	176.6	0	0	0	111.2	V674 G675 D677 G681 S682	V674-L679 WeakPolarHBondContact CG1-O 3.39Å; G675-L679 PolarHBondContact N-O 3.22Å; G675-L679 VanDerWaalsContact N-O 3.09Å; D677-L679 PolarHBondContact O-N 3.31Å; L679-G681 PolarHBondContact O-N 2.9Å; L679-S682 WeakPolarHBondContact O-CB 3.44Å; L679-S682 PolarHBondContact O-N 2.02Å
680	L	78.5	Confident	79.8	Confident	47 Å²	47	54.6 Å²	54.6	25%	0.246	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-63.7	130	176.9	-79.8	165	0	0	0	111	N586 L588 V665 I667 E672 V674 S682	N586-L680 HydrophobicContact CB-CD1 4.23Å; L588-L680 HydrophobicContact CD1-CD2 4.26Å; L588-L680 HydrophobicContact CD1-CG 3.76Å; L588-L680 HydrophobicContact CG-CD1 4.07Å; L588-L680 HydrophobicContact CG-CD2 4.32Å; L588-L680 HydrophobicContact CG-CG 3.79Å; V665-L680 HydrophobicContact CG2-CD2 3.54Å; I667-L680 HydrophobicContact CD1-CD1 3.72Å; I667-L680 HydrophobicContact CD1-CD2 3.47Å; I667-L680 VanDerWaalsContact CD1-CD2 3.47Å; I667-L680 HydrophobicContact CD1-CG 4.26Å; E672-L680 HydrophobicContact CB-CD2 4.27Å; V674-L680 HydrophobicContact CG2-CD2 4.03Å; L680-S682 PolarHBondContact O-N 3.27Å
681	G	70.8	Confident	80	Confident	54 Å²	54	54.9 Å²	54.9	56%	0.557	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	6.4	179.1	0	0	0	0	0	114.6	A673 L679	A673-G681 PolarHBondContact O-N 3.09Å; L679-G681 PolarHBondContact O-N 2.9Å
682	S	77.9	Confident	80	Confident	30 Å²	30	54.4 Å²	54.4	21%	0.21	32%	0.32	C	S	.	.			trans	-73.2	131.9	174.8	-178.5	0	0	0	0	110.4	G675 D677 L679 L680 A684	G675-S682 WeakPolarHBondContact CA-O 3.06Å; G675-S682 PolarHBondContact N-O 2.79Å; D677-S682 VanDerWaalsContact CG-OG 3.28Å; D677-S682 WeakPolarHBondContact OD1-CB 3.14Å; D677-S682 PolarHBondContact OD1-OG 2.86Å; D677-S682 PolarHBondContact OD2-OG 3.29Å; L679-S682 WeakPolarHBondContact O-CB 3.44Å; L679-S682 PolarHBondContact O-N 2.02Å; L680-S682 PolarHBondContact O-N 3.27Å; S682-A684 PolarHBondContact O-N 2.94Å; S682-A684 WeakPolarHBondContact OG-CB 2.93Å; S682-A684 PolarHBondContact OG-N 3.35Å
683	K	75.5	Confident	79.9	Confident	207 Å²	207	58.8 Å²	58.8	90%	0.9	34%	0.339	S	S	*	.			trans	-81.3	12.3	174.7	-62.3	-176.6	-179.4	-179.9	0	113	S685	K683-S685 PolarHBondContact O-N 3.41Å
684	A	78.6	Confident	79.9	Confident	14 Å²	14	57.2 Å²	57.2	12%	0.116	33%	0.328	C	S	.	.			trans	-68	121.8	-179.7	0	0	0	0	0	110.7	G675 C676 D677 S682 K693	G675-A684 CarbonylContact C-O 3.59Å; G675-A684 VanDerWaalsContact CA-O 3.27Å; G675-A684 WeakPolarHBondContact CA-O 3.22Å; C676-A684 PolarHBondContact N-O 3.28Å; C676-A684 PolarHBondContact SG-O 3.37Å; C676-A684 VanDerWaalsContact SG-O 3.38Å; D677-A684 HydrophobicContact CB-CB 4.32Å; D677-A684 WeakPolarHBondContact OD2-CB 3.36Å; S682-A684 PolarHBondContact O-N 2.94Å; S682-A684 WeakPolarHBondContact OG-CB 2.93Å; S682-A684 PolarHBondContact OG-N 3.35Å; A684-K693 HydrophobicContact CB-CD 4.31Å; A684-K693 HydrophobicContact CB-CG 4Å
685	S	80.1	Confident	79.9	Confident	88 Å²	88	62.3 Å²	62.3	62%	0.615	36%	0.355	S	S	*	.			trans	-107.8	154	175.6	57.3	0	0	0	0	111.5	C676 K683 K693	C676-S685 PolarHBondContact SG-O 3.04Å; K683-S685 PolarHBondContact O-N 3.41Å; S685-K693 PolarHBondContact O-N 2.89Å
686	L	80.2	Confident	80.1	Confident	96 Å²	96	65.3 Å²	65.3	50%	0.503	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-64.4	140	165.7	-68.3	172.8	0	0	0	108.8	C676 C692	C676-L686 HydrophobicContact CB-CD2 3.74Å; C676-L686 HydrophobicContact CB-CG 3.87Å; L686-C692 HydrophobicContact CD2-CB 4.34Å
687	D	83	Confident	80.2	Confident	25 Å²	25	67.1 Å²	67.1	13%	0.134	38%	0.383	C	S	.	.			trans	-77.6	170.1	169.8	-173.7	39.5	0	0	0	111.3	C689 G690 V691 N696	D687-C689 PolarHBondContact O-N 2.82Å; D687-C689 VanDerWaalsContact O-N 3.11Å; D687-G690 WeakPolarHBondContact O-CA 3.38Å; D687-G690 PolarHBondContact O-N 3.32Å; D687-V691 WeakPolarHBondContact CB-O 3.13Å; D687-V691 PolarHBondContact N-O 2.71Å; D687-N696 VanDerWaalsContact CG-CG 3.46Å; D687-N696 PolarHBondContact OD1-ND2 3.44Å; D687-N696 PolarHBondContact OD1-OD1 3.17Å; D687-N696 WeakPolarHBondContact OD2-CA 3.4Å; D687-N696 PolarHBondContact OD2-N 2.03Å; D687-N696 PolarHBondContact OD2-OD1 2.04Å
688	A	80.9	Confident	80.4	Confident	38 Å²	38	68.3 Å²	68.3	31%	0.314	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-175	0	0	0	0	0	112.8	G690 N696 F701 T810	A688-G690 PolarHBondContact O-N 3.5Å; A688-N696 WeakPolarHBondContact CB-OD1 3.46Å; A688-N696 PolarHBondContact N-OD1 3.31Å; A688-F701 HydrophobicContact CB-CE1 3.69Å; A688-F701 HydrophobicContact CB-CZ 3.65Å; A688-T810 HydrophobicContact CB-CG2 4.22Å; A688-T810 PolarHBondContact O-OG1 2.85Å
689	C	82.8	Confident	80.7	Confident	9 Å²	9	63 Å²	63	6%	0.061	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.6	173.9	-49.7	0	0	0	0	113.9	D687 V691 T698 C699 R726	D687-C689 PolarHBondContact O-N 2.82Å; D687-C689 VanDerWaalsContact O-N 3.11Å; C689-V691 HydrophobicContact CB-CG2 4.5Å; C689-T698 WeakPolarHBondContact CB-OG1 2.91Å; C689-T698 PolarHBondContact SG-OG1 3.37Å; C689-C699 WeakPolarHBondContact CA-SG 3.36Å; C689-C699 HydrophobicContact CB-CB 3.53Å; C689-C699 WeakPolarHBondContact CB-SG 3.4Å; C689-C699 WeakPolarHBondContact SG-CB 3.25Å; C689-C699 PolarHBondContact SG-N 3.01Å; C689-C699 CovalentContact SG-SG 2.02Å; C689-C699 PolarHBondContact SG-SG 2.89Å; C689-R726 WeakPolarHBondContact O-CD 3.5Å; C689-R726 PolarHBondContact O-NH1 3.3Å
690	G	78.8	Confident	81.2	Confident	21 Å²	21	64.5 Å²	64.5	22%	0.216	38%	0.375	C	S	.	.	S	Bend	trans	73.5	34.3	-174.3	0	0	0	0	0	113.8	D687 A688 R726	D687-G690 WeakPolarHBondContact O-CA 3.38Å; D687-G690 PolarHBondContact O-N 3.32Å; A688-G690 PolarHBondContact O-N 3.5Å; G690-R726 VanDerWaalsContact CA-NH1 3.32Å; G690-R726 PolarHBondContact O-NH1 3.15Å
691	V	83.8	Confident	81.8	Confident	61 Å²	61	67.1 Å²	67.1	37%	0.37	39%	0.385	S	S	.	.			trans	-103.3	133.2	169.8	179.4	0	0	0	0	108.7	D687 C689 K693 G694 T698	D687-V691 WeakPolarHBondContact CB-O 3.13Å; D687-V691 PolarHBondContact N-O 2.71Å; C689-V691 HydrophobicContact CB-CG2 4.5Å; V691-K693 PolarHBondContact O-N 3.33Å; V691-G694 PolarHBondContact O-N 3.31Å; V691-T698 HydrophobicContact CG2-CG2 4.23Å; V691-T698 WeakPolarHBondContact CG2-OG1 3.13Å
692	C	84.4	Confident	82.8	Confident	42 Å²	42	67.7 Å²	67.7	28%	0.284	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-70.6	128.4	178.9	-176.9	0	0	0	0	111.4	C676 D677 L686 G694	C676-C692 HydrophobicContact CB-CB 3.55Å; C676-C692 WeakPolarHBondContact CB-SG 3.25Å; C676-C692 WeakPolarHBondContact SG-CA 3.37Å; C676-C692 WeakPolarHBondContact SG-CB 3.42Å; C676-C692 CovalentContact SG-SG 2.02Å; C676-C692 PolarHBondContact SG-SG 2.98Å; D677-C692 PolarHBondContact N-SG 2.9Å; L686-C692 HydrophobicContact CD2-CB 4.34Å; C692-G694 PolarHBondContact O-N 2.78Å
693	K	82	Confident	83.6	Confident	141 Å²	141	74.6 Å²	74.6	61%	0.613	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	32.2	-173.5	-56.2	178	-174.5	167.8	0	112.7	D677 A684 S685 V691	D677-K693 VanDerWaalsContact OD2-CE 3.26Å; D677-K693 WeakPolarHBondContact OD2-CE 3.22Å; D677-K693 IonicContact OD2-NZ 3.75Å; D677-K693 PolarHBondContact OD2-NZ 3.17Å; A684-K693 HydrophobicContact CB-CD 4.31Å; A684-K693 HydrophobicContact CB-CG 4Å; S685-K693 PolarHBondContact O-N 2.89Å; V691-K693 PolarHBondContact O-N 3.33Å
694	G	80.1	Confident	84.4	Confident	26 Å²	26	65.8 Å²	65.8	27%	0.268	37%	0.366	S	S	.	.			trans	-72.9	166.1	176.2	0	0	0	0	0	112.9	V691 C692	V691-G694 PolarHBondContact O-N 3.31Å; C692-G694 PolarHBondContact O-N 2.78Å
695	D	84	Confident	85.1	Confident	122 Å²	122	71.4 Å²	71.4	65%	0.652	39%	0.39	S	S	*	.			trans	-113.8	18.5	-176.8	66.1	-19.2	0	0	0	113.3	S697	D695-S697 PolarHBondContact O-N 2.65Å; D695-S697 VanDerWaalsContact OD1-CB 3.24Å; D695-S697 WeakPolarHBondContact OD1-CB 3.47Å; D695-S697 PolarHBondContact OD1-N 3.06Å; D695-S697 PolarHBondContact OD1-OG 3.06Å; D695-S697 PolarHBondContact OD2-OG 2.9Å
696	N	83.3	Confident	85.7	Confident	66 Å²	66	68.3 Å²	68.3	35%	0.353	37%	0.365	S	S	.	.	S	Bend	trans	64.4	15	-176	-72.3	-59.1	0	0	0	115.7	D687 A688 F701	D687-N696 VanDerWaalsContact CG-CG 3.46Å; D687-N696 PolarHBondContact OD1-ND2 3.44Å; D687-N696 PolarHBondContact OD1-OD1 3.17Å; D687-N696 WeakPolarHBondContact OD2-CA 3.4Å; D687-N696 PolarHBondContact OD2-N 2.03Å; D687-N696 PolarHBondContact OD2-OD1 2.04Å; A688-N696 WeakPolarHBondContact CB-OD1 3.46Å; A688-N696 PolarHBondContact N-OD1 3.31Å; N696-F701 HydrophobicContact CB-CE2 3.92Å; N696-F701 HydrophobicContact CB-CZ 3.94Å; N696-F701 WeakPolarHBondContact OD1-CZ 3.15Å
697	S	82.3	Confident	86.2	Confident	64 Å²	64	67.5 Å²	67.5	45%	0.448	37%	0.365	S	S	.	.			trans	-85.4	-22.5	-175.7	67.2	0	0	0	0	115.3	D695 C699 R813	D695-S697 PolarHBondContact O-N 2.65Å; D695-S697 VanDerWaalsContact OD1-CB 3.24Å; D695-S697 WeakPolarHBondContact OD1-CB 3.47Å; D695-S697 PolarHBondContact OD1-N 3.06Å; D695-S697 PolarHBondContact OD1-OG 3.06Å; D695-S697 PolarHBondContact OD2-OG 2.9Å; S697-C699 VanDerWaalsContact C-N 3.34Å; S697-C699 PolarHBondContact O-N 3.34Å; S697-R813 WeakPolarHBondContact O-CD 3.25Å
698	T	83.7	Confident	86.3	Confident	66 Å²	66	71.4 Å²	71.4	41%	0.405	39%	0.385	S	S	.	.	S	Bend	trans	-81.5	-11	-170.3	56.8	0	0	0	0	114.4	C689 V691 R813	C689-T698 WeakPolarHBondContact CB-OG1 2.91Å; C689-T698 PolarHBondContact SG-OG1 3.37Å; V691-T698 HydrophobicContact CG2-CG2 4.23Å; V691-T698 WeakPolarHBondContact CG2-OG1 3.13Å; T698-R813 PolarHBondContact O-N 2.63Å
699	C	86.6	Confident	86.6	Confident	9 Å²	9	74 Å²	74	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	162.9	-179.4	67.3	0	0	0	0	111.3	C689 S697 L811	C689-C699 WeakPolarHBondContact CA-SG 3.36Å; C689-C699 HydrophobicContact CB-CB 3.53Å; C689-C699 WeakPolarHBondContact CB-SG 3.4Å; C689-C699 WeakPolarHBondContact SG-CB 3.25Å; C689-C699 PolarHBondContact SG-N 3.01Å; C689-C699 CovalentContact SG-SG 2.02Å; C689-C699 PolarHBondContact SG-SG 2.89Å; S697-C699 VanDerWaalsContact C-N 3.34Å; S697-C699 PolarHBondContact O-N 3.34Å; C699-L811 CarbonylContact C-O 3.54Å; C699-L811 WeakPolarHBondContact CA-O 3.24Å; C699-L811 VanDerWaalsContact CB-O 3.22Å; C699-L811 WeakPolarHBondContact CB-O 3.43Å
700	K	88.2	Confident	86.6	Confident	128 Å²	128	76.4 Å²	76.4	56%	0.557	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.8	172.7	-173.8	178.8	177.9	-175.7	0	109.1	F702 T810 L811	K700-F702 HydrophobicContact CB-CE2 4.04Å; K700-F702 HydrophobicContact CD-CE2 4.13Å; K700-F702 HydrophobicContact CD-CZ 3.86Å; K700-F702 HydrophobicContact CG-CE2 4.04Å; K700-F702 HydrophobicContact CG-CZ 4.28Å; K700-F702 WeakPolarHBondContact O-CD2 3.25Å; K700-T810 WeakPolarHBondContact O-CA 3.4Å; K700-L811 PolarHBondContact N-O 2.9Å; K700-L811 PolarHBondContact O-N 3.42Å
701	F	90.1	Very high	86.4	Confident	103 Å²	103	87.6 Å²	87.6	45%	0.452	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.7	175.6	-67.7	-99.9	0	0	0	110.9	A688 N696 T810	A688-F701 HydrophobicContact CB-CE1 3.69Å; A688-F701 HydrophobicContact CB-CZ 3.65Å; N696-F701 HydrophobicContact CB-CE2 3.92Å; N696-F701 HydrophobicContact CB-CZ 3.94Å; N696-F701 WeakPolarHBondContact OD1-CZ 3.15Å; F701-T810 HydrophobicContact CD1-CG2 3.56Å; F701-T810 HydrophobicContact CE1-CG2 3.6Å; F701-T810 HydrophobicContact CG-CG2 4.05Å; F701-T810 HydrophobicContact CZ-CG2 4.1Å
702	F	92.6	Very high	86.4	Confident	66 Å²	66	86.7 Å²	86.7	29%	0.289	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	171.2	-66.7	-93.6	0	0	0	107.4	K700 W807 E808 Y809 L811	K700-F702 HydrophobicContact CB-CE2 4.04Å; K700-F702 HydrophobicContact CD-CE2 4.13Å; K700-F702 HydrophobicContact CD-CZ 3.86Å; K700-F702 HydrophobicContact CG-CE2 4.04Å; K700-F702 HydrophobicContact CG-CZ 4.28Å; K700-F702 WeakPolarHBondContact O-CD2 3.25Å; F702-W807 HydrophobicContact CB-CZ3 4.32Å; F702-E808 CarbonylContact O-C 3.57Å; F702-E808 VanDerWaalsContact O-CA 3.23Å; F702-E808 WeakPolarHBondContact O-CA 3.03Å; F702-Y809 HydrophobicContact CB-CD1 4.13Å; F702-Y809 HydrophobicContact CB-CD2 4.15Å; F702-Y809 HydrophobicContact CB-CE1 3.74Å; F702-Y809 HydrophobicContact CB-CE2 3.74Å; F702-Y809 HydrophobicContact CB-CG 4.33Å; F702-Y809 HydrophobicContact CD2-CD2 4.27Å; F702-Y809 AromaticContact CD2-CE2 3.76Å; F702-Y809 HydrophobicContact CD2-CE2 3.76Å; F702-Y809 AromaticContact CG-CE2 3.82Å; F702-Y809 HydrophobicContact CG-CE2 3.82Å; F702-Y809 AromaticContact CG-CZ 3.84Å; F702-Y809 PolarHBondContact N-O 2.94Å; F702-Y809 PolarHBondContact O-N 3.34Å; F702-Y809 VanDerWaalsContact O-O 3.11Å; F702-L811 HydrophobicContact CD2-CD1 4.29Å; F702-L811 HydrophobicContact CD2-CG 4.35Å; F702-L811 HydrophobicContact CE2-CB 3.98Å; F702-L811 HydrophobicContact CE2-CD1 3.79Å; F702-L811 HydrophobicContact CE2-CG 4.08Å; F702-L811 HydrophobicContact CZ-CD1 4.23Å
703	K	93.7	Very high	86.3	Confident	174 Å²	174	89.3 Å²	89.3	76%	0.757	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.7	177.7	63.2	179.9	-178.4	177.8	0	109.8	W807 E808	K703-W807 CarbonylContact C-O 3.45Å; K703-W807 VanDerWaalsContact CA-O 3.28Å; K703-W807 WeakPolarHBondContact CA-O 3.2Å; K703-E808 HydrophobicContact CB-CB 4.22Å
704	G	93.4	Very high	86.6	Confident	22 Å²	22	87.7 Å²	87.7	23%	0.227	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	174.3	176.5	0	0	0	0	0	111.8	V806 W807	G704-V806 WeakPolarHBondContact O-CG1 3.47Å; G704-W807 PolarHBondContact N-O 3.36Å; G704-W807 PolarHBondContact O-N 3.1Å
705	Q	93.8	Very high	87.1	Confident	132 Å²	132	88.5 Å²	88.5	62%	0.617	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.1	176.3	68	-176	33.8	0	0	109.4	T707 V805	Q705-T707 HydrophobicContact CG-CG2 4.35Å; Q705-V805 CarbonylContact C-O 3.56Å; Q705-V805 VanDerWaalsContact CA-O 3.3Å; Q705-V805 WeakPolarHBondContact CA-O 3.2Å
706	Y	92.3	Very high	87.4	Confident	23 Å²	23	84.4 Å²	84.4	9%	0.09	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	103.9	178.3	-176.6	-94.9	0	0	0	109.4	L708 H710 Y716 M718 I796 N802 G804 V805	Y706-L708 HydrophobicContact CE1-CB 4.28Å; Y706-L708 HydrophobicContact CE2-CB 4Å; Y706-L708 HydrophobicContact CE2-CD1 3.83Å; Y706-L708 HydrophobicContact CE2-CG 4.34Å; Y706-H710 PolarHBondContact OH-CD2 3.25Å; Y706-H710 PolarHBondContact OH-NE2 3.24Å; Y706-Y716 WeakPolarHBondContact OH-CB 3.33Å; Y706-M718 HydrophobicContact CD1-CG 3.66Å; Y706-M718 HydrophobicContact CD1-SD 3.74Å; Y706-M718 HydrophobicContact CD2-CB 4.19Å; Y706-M718 HydrophobicContact CD2-CG 4Å; Y706-M718 HydrophobicContact CE1-CG 4.02Å; Y706-M718 HydrophobicContact CE1-SD 4.43Å; Y706-M718 HydrophobicContact CE2-CG 4.31Å; Y706-M718 HydrophobicContact CG-CB 4.09Å; Y706-M718 HydrophobicContact CG-CG 3.64Å; Y706-M718 HydrophobicContact CG-SD 4.01Å; Y706-I796 HydrophobicContact CD1-CG2 4.32Å; Y706-I796 HydrophobicContact CE1-CG2 3.85Å; Y706-N802 PolarHBondContact O-ND2 3.07Å; Y706-G804 WeakPolarHBondContact O-CA 3.47Å; Y706-V805 PolarHBondContact N-O 2.85Å; Y706-V805 PolarHBondContact O-N 2.92Å
707	T	89.9	Confident	87.8	Confident	80 Å²	80	84.3 Å²	84.3	49%	0.491	42%	0.417	S	S	.	.			trans	-117.3	11.2	-176.7	59.4	0	0	0	0	112.5	Q705 Q709	Q705-T707 HydrophobicContact CG-CG2 4.35Å; T707-Q709 PolarHBondContact O-N 3.47Å
708	L	86.1	Confident	88.3	Confident	106 Å²	106	82.4 Å²	82.4	56%	0.555	40%	0.401	S	S	*	.			trans	-69.3	128.3	179.4	-73.3	168.2	0	0	0	109.7	Y706 N802	Y706-L708 HydrophobicContact CE1-CB 4.28Å; Y706-L708 HydrophobicContact CE2-CB 4Å; Y706-L708 HydrophobicContact CE2-CD1 3.83Å; Y706-L708 HydrophobicContact CE2-CG 4.34Å; L708-N802 PolarHBondContact O-ND2 2.98Å; L708-N802 VanDerWaalsContact O-ND2 3.11Å
709	Q	86.1	Confident	88.7	Confident	94 Å²	94	79.8 Å²	79.8	44%	0.439	39%	0.385	S	S	.	.			trans	-98.8	128	176.2	-175.4	64.8	51.3	0	0	109.3	T707 G800	T707-Q709 PolarHBondContact O-N 3.47Å; Q709-G800 PolarHBondContact NE2-O 3.35Å; Q709-G800 VanDerWaalsContact NE2-O 3.11Å
710	H	83.9	Confident	89.1	Confident	59 Å²	59	82.8 Å²	82.8	27%	0.273	40%	0.403	S	S	.	.			trans	-111	159.5	175	-62.1	-77.4	0	0	0	111	Y706 Y716 L798	Y706-H710 PolarHBondContact OH-CD2 3.25Å; Y706-H710 PolarHBondContact OH-NE2 3.24Å; H710-Y716 HydrophobicContact CB-CD2 4.18Å; H710-Y716 HydrophobicContact CB-CE1 4.03Å; H710-Y716 HydrophobicContact CB-CE2 3.41Å; H710-Y716 VanDerWaalsContact CB-CE2 3.41Å; H710-Y716 WeakPolarHBondContact CB-OH 3.47Å; H710-Y716 AromaticContact CD2-CD1 3.6Å; H710-Y716 AromaticContact CD2-CD2 3.55Å; H710-Y716 AromaticContact CD2-CE1 3.76Å; H710-Y716 AromaticContact CD2-CE2 3.69Å; H710-Y716 AromaticContact CD2-CG 3.5Å; H710-Y716 VanDerWaalsContact CD2-CG 3.5Å; H710-Y716 AromaticContact CD2-CZ 3.8Å; H710-Y716 AromaticContact CE1-CD1 3.87Å; H710-Y716 AromaticContact CE1-CE1 3.88Å; H710-Y716 AromaticContact CG-CD1 3.88Å; H710-Y716 AromaticContact CG-CD2 3.98Å; H710-Y716 AromaticContact CG-CE1 3.53Å; H710-Y716 AromaticContact CG-CE2 3.61Å; H710-Y716 AromaticContact CG-CZ 3.38Å; H710-Y716 AromaticContact ND1-CE1 3.65Å; H710-Y716 AromaticContact ND1-CZ 3.9Å; H710-Y716 AromaticContact NE2-CD1 3.58Å; H710-Y716 AromaticContact NE2-CE1 3.96Å; H710-Y716 AromaticContact NE2-CG 3.78Å; H710-L798 HydrophobicContact CB-CD2 3.9Å; H710-L798 WeakPolarHBondContact O-CD2 3.25Å
711	R	74.5	Confident	89.3	Confident	255 Å²	255	76.7 Å²	76.7	96%	0.962	38%	0.377	S	S	*	.	S	Bend	trans	-94.5	-23.8	179.8	-66.7	-175.1	-177.8	176.3	0.8	113.2
712	A	82.5	Confident	89.5	Confident	43 Å²	43	73.8 Å²	73.8	36%	0.355	37%	0.368	S	S	.	.	S	Bend	trans	-96.5	144.4	178.7	0	0	0	0	0	110.2	E714 Y716	A712-E714 HydrophobicContact CB-CG 4.32Å; A712-E714 PolarHBondContact O-N 3.07Å; A712-Y716 WeakPolarHBondContact O-CE2 3.42Å; A712-Y716 PolarHBondContact O-OH 3.08Å
713	N	82.8	Confident	89.4	Confident	96 Å²	96	73 Å²	73	51%	0.513	37%	0.374	S	S	.	.			trans	-83.9	89.5	173.7	-66	-17	0	0	0	108.1	W755 L798	N713-W755 VanDerWaalsContact O-CH2 3.27Å; N713-W755 WeakPolarHBondContact O-CH2 3.09Å; N713-L798 WeakPolarHBondContact CA-O 3.44Å; N713-L798 WeakPolarHBondContact CB-O 3.33Å; N713-L798 PolarHBondContact OD1-O 3.26Å
714	E	89.3	Confident	89.1	Confident	108 Å²	108	65.9 Å²	65.9	51%	0.505	35%	0.35	S	S	.	.	S	Bend	trans	-140.3	176.1	-179.6	-70.4	-174.1	162.4	0	0	110.9	A712 Y716 L798	A712-E714 HydrophobicContact CB-CG 4.32Å; A712-E714 PolarHBondContact O-N 3.07Å; E714-Y716 HydrophobicContact CB-CE2 4.19Å; E714-Y716 WeakPolarHBondContact O-CD2 3.38Å; E714-L798 PolarHBondContact O-N 3.32Å
715	Y	89.9	Confident	89	Confident	42 Å²	42	64.9 Å²	64.9	17%	0.165	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.6	172.2	-65	-93.5	0	0	0	110.3	A741 Y749 T752 W755 I796 L797	Y715-A741 HydrophobicContact CD1-CB 3.97Å; Y715-A741 HydrophobicContact CE1-CB 3.92Å; Y715-Y749 HydrophobicContact CD1-CE1 4.3Å; Y715-Y749 HydrophobicContact CE1-CE1 4.34Å; Y715-T752 WeakPolarHBondContact CE1-O 3.35Å; Y715-W755 HydrophobicContact CE2-CD2 4.29Å; Y715-W755 HydrophobicContact CE2-CZ2 4.49Å; Y715-W755 WeakPolarHBondContact OH-CA 3.47Å; Y715-W755 PolarHBondContact OH-N 3.45Å; Y715-I796 WeakPolarHBondContact CA-O 3.38Å; Y715-L797 HydrophobicContact CD1-CB 4.05Å; Y715-L797 HydrophobicContact CD1-CD1 4.33Å; Y715-L797 HydrophobicContact CD2-CD1 4.14Å; Y715-L797 HydrophobicContact CE1-CB 3.85Å; Y715-L797 HydrophobicContact CE1-CD1 4.07Å; Y715-L797 HydrophobicContact CE1-CD2 4.3Å; Y715-L797 HydrophobicContact CE1-CG 4.29Å; Y715-L797 HydrophobicContact CE2-CD1 3.85Å; Y715-L797 HydrophobicContact CG-CD1 4.35Å
716	Y	91.4	Very high	88.8	Confident	37 Å²	37	62.4 Å²	62.4	15%	0.145	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.9	175.9	-64.4	-74.6	0	0	0	110.9	Y706 H710 A712 E714 M718 E795 I796 L798	Y706-Y716 WeakPolarHBondContact OH-CB 3.33Å; H710-Y716 HydrophobicContact CB-CD2 4.18Å; H710-Y716 HydrophobicContact CB-CE1 4.03Å; H710-Y716 HydrophobicContact CB-CE2 3.41Å; H710-Y716 VanDerWaalsContact CB-CE2 3.41Å; H710-Y716 WeakPolarHBondContact CB-OH 3.47Å; H710-Y716 AromaticContact CD2-CD1 3.6Å; H710-Y716 AromaticContact CD2-CD2 3.55Å; H710-Y716 AromaticContact CD2-CE1 3.76Å; H710-Y716 AromaticContact CD2-CE2 3.69Å; H710-Y716 AromaticContact CD2-CG 3.5Å; H710-Y716 VanDerWaalsContact CD2-CG 3.5Å; H710-Y716 AromaticContact CD2-CZ 3.8Å; H710-Y716 AromaticContact CE1-CD1 3.87Å; H710-Y716 AromaticContact CE1-CE1 3.88Å; H710-Y716 AromaticContact CG-CD1 3.88Å; H710-Y716 AromaticContact CG-CD2 3.98Å; H710-Y716 AromaticContact CG-CE1 3.53Å; H710-Y716 AromaticContact CG-CE2 3.61Å; H710-Y716 AromaticContact CG-CZ 3.38Å; H710-Y716 AromaticContact ND1-CE1 3.65Å; H710-Y716 AromaticContact ND1-CZ 3.9Å; H710-Y716 AromaticContact NE2-CD1 3.58Å; H710-Y716 AromaticContact NE2-CE1 3.96Å; H710-Y716 AromaticContact NE2-CG 3.78Å; A712-Y716 WeakPolarHBondContact O-CE2 3.42Å; A712-Y716 PolarHBondContact O-OH 3.08Å; E714-Y716 HydrophobicContact CB-CE2 4.19Å; E714-Y716 WeakPolarHBondContact O-CD2 3.38Å; Y716-M718 PolarHBondContact O-N 3.45Å; Y716-E795 CarbonylContact O-C 3.57Å; Y716-E795 WeakPolarHBondContact O-CA 3.28Å; Y716-E795 WeakPolarHBondContact O-CB 3.29Å; Y716-I796 PolarHBondContact N-O 2.8Å; Y716-I796 PolarHBondContact O-N 3.41Å; Y716-L798 HydrophobicContact CD2-CB 4.14Å; Y716-L798 HydrophobicContact CE2-CB 4.18Å; Y716-L798 HydrophobicContact CE2-CD2 4.33Å
717	S	90.8	Very high	88.7	Confident	64 Å²	64	62.2 Å²	62.2	45%	0.448	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.6	177.3	-48.6	0	0	0	0	111.4	R743 E795	S717-R743 PolarHBondContact OG-NH2 3.41Å; S717-E795 PolarHBondContact OG-OE1 2.81Å
718	M	92.1	Very high	88.8	Confident	23 Å²	23	58.4 Å²	58.4	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-51.2	-177.6	-61.6	-173.3	-69.3	0	0	112.4	Y706 Y716 L740 F794 E795 I796 V805	Y706-M718 HydrophobicContact CD1-CG 3.66Å; Y706-M718 HydrophobicContact CD1-SD 3.74Å; Y706-M718 HydrophobicContact CD2-CB 4.19Å; Y706-M718 HydrophobicContact CD2-CG 4Å; Y706-M718 HydrophobicContact CE1-CG 4.02Å; Y706-M718 HydrophobicContact CE1-SD 4.43Å; Y706-M718 HydrophobicContact CE2-CG 4.31Å; Y706-M718 HydrophobicContact CG-CB 4.09Å; Y706-M718 HydrophobicContact CG-CG 3.64Å; Y706-M718 HydrophobicContact CG-SD 4.01Å; Y716-M718 PolarHBondContact O-N 3.45Å; M718-L740 HydrophobicContact CE-CD2 3.64Å; M718-F794 PolarHBondContact N-O 3.08Å; M718-E795 WeakPolarHBondContact CE-O 3.48Å; M718-I796 HydrophobicContact CE-CB 3.91Å; M718-I796 HydrophobicContact CE-CG2 4.47Å; M718-I796 HydrophobicContact CG-CB 4.26Å; M718-I796 HydrophobicContact CG-CG2 3.79Å; M718-I796 HydrophobicContact SD-CB 3.67Å; M718-I796 HydrophobicContact SD-CG2 3.69Å; M718-V805 HydrophobicContact CE-CB 4.43Å; M718-V805 HydrophobicContact CE-CG1 3.98Å; M718-V805 HydrophobicContact CE-CG2 4.45Å; M718-V805 HydrophobicContact SD-CB 3.69Å; M718-V805 HydrophobicContact SD-CG1 3.88Å; M718-V805 HydrophobicContact SD-CG2 3.76Å
719	V	93.5	Very high	89.2	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	139.5	-177.4	62.1	0	0	0	0	110.9	V721 F794 W807 Y809	V719-V721 HydrophobicContact CG1-CG2 4.41Å; V719-V721 HydrophobicContact CG2-CG2 4.2Å; V719-F794 HydrophobicContact CG1-CB 3.74Å; V719-F794 HydrophobicContact CG1-CD2 4.11Å; V719-F794 HydrophobicContact CG1-CG 4.16Å; V719-F794 PolarHBondContact N-O 3.17Å; V719-F794 PolarHBondContact O-N 3.27Å; V719-W807 HydrophobicContact CB-CD2 3.92Å; V719-W807 HydrophobicContact CB-CE3 4.46Å; V719-W807 HydrophobicContact CB-CG 4.12Å; V719-W807 HydrophobicContact CB-CZ2 4.26Å; V719-W807 HydrophobicContact CG1-CB 4.26Å; V719-W807 HydrophobicContact CG1-CD2 4.13Å; V719-W807 HydrophobicContact CG1-CG 3.9Å; V719-W807 HydrophobicContact CG2-CD2 3.76Å; V719-W807 HydrophobicContact CG2-CE3 3.81Å; V719-W807 HydrophobicContact CG2-CG 4.42Å; V719-W807 HydrophobicContact CG2-CH2 3.99Å; V719-W807 HydrophobicContact CG2-CZ2 3.92Å; V719-W807 HydrophobicContact CG2-CZ3 3.93Å; V719-Y809 HydrophobicContact CG2-CE1 4.02Å
720	T	94	Very high	89.6	Confident	72 Å²	72	50.9 Å²	50.9	44%	0.442	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.3	171.1	-58.4	0	0	0	0	108.6	T791 L792 V793	T720-T791 HydrophobicContact CG2-CG2 3.49Å; T720-T791 VanDerWaalsContact CG2-CG2 3.49Å; T720-L792 CarbonylContact C-O 3.56Å; T720-L792 WeakPolarHBondContact CA-O 3.37Å; T720-V793 HydrophobicContact CG2-CG2 4.19Å
721	V	93.4	Very high	90	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.4	-178.6	179.5	0	0	0	0	108.6	V719 A725 I728 T791 L792 F794 Y809	V719-V721 HydrophobicContact CG1-CG2 4.41Å; V719-V721 HydrophobicContact CG2-CG2 4.2Å; V721-A725 HydrophobicContact CG1-CB 3.23Å; V721-I728 HydrophobicContact CG1-CD1 3.82Å; V721-I728 HydrophobicContact CG1-CG1 4.13Å; V721-T791 CarbonylContact O-C 3.57Å; V721-T791 WeakPolarHBondContact O-CA 3.43Å; V721-L792 PolarHBondContact N-O 3.44Å; V721-L792 PolarHBondContact O-N 2.79Å; V721-F794 HydrophobicContact CB-CD2 4.4Å; V721-F794 HydrophobicContact CB-CE2 3.92Å; V721-F794 HydrophobicContact CG2-CD2 3.76Å; V721-F794 HydrophobicContact CG2-CE2 3.54Å; V721-Y809 HydrophobicContact CG1-CD2 4.25Å; V721-Y809 HydrophobicContact CG1-CG 4.2Å; V721-Y809 HydrophobicContact CG2-CD1 3.92Å; V721-Y809 HydrophobicContact CG2-CE1 4.1Å; V721-Y809 HydrophobicContact CG2-CG 4.39Å
722	P	92.6	Very high	90.9	Very high	41 Å²	41	39.7 Å²	39.7	27%	0.266	23%	0.227	S	C	.	.			trans	-72.3	165.7	-176.6	28.5	-31.7	0	0	0	112.7	A725 T788 L811	P722-A725 WeakPolarHBondContact O-CB 3.5Å; P722-A725 PolarHBondContact O-N 3.46Å; P722-T788 PolarHBondContact O-OG1 2.71Å; P722-L811 HydrophobicContact CG-CD1 3.64Å; P722-L811 HydrophobicContact CG-CD2 3.85Å; P722-L811 HydrophobicContact CG-CG 4.32Å
723	A	91.1	Very high	91.2	Very high	50 Å²	50	42.3 Å²	42.3	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	141	170.7	0	0	0	0	0	111.1	T788 T791	A723-T788 WeakPolarHBondContact CA-OG1 3.29Å; A723-T791 PolarHBondContact N-OG1 3.03Å
724	G	87.5	Confident	91.5	Very high	25 Å²	25	44.2 Å²	44.2	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	3.7	-176.5	0	0	0	0	0	114.3	T788 P812	G724-T788 PolarHBondContact N-O 3.07Å; G724-T788 PolarHBondContact N-OG1 2.89Å; G724-T788 VanDerWaalsContact N-OG1 3.16Å; G724-P812 WeakPolarHBondContact O-CD 3.48Å
725	A	91	Very high	91.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.			trans	-73.9	141.6	177.9	0	0	0	0	0	112.3	V721 P722 I728 P787 T788 Y809 T810 L811	V721-A725 HydrophobicContact CG1-CB 3.23Å; P722-A725 WeakPolarHBondContact O-CB 3.5Å; P722-A725 PolarHBondContact O-N 3.46Å; A725-I728 HydrophobicContact CB-CD1 4.12Å; A725-I728 HydrophobicContact CB-CG1 4.25Å; A725-P787 VanDerWaalsContact O-CA 3.29Å; A725-P787 WeakPolarHBondContact O-CA 3.4Å; A725-T788 PolarHBondContact N-OG1 2.89Å; A725-T788 VanDerWaalsContact N-OG1 3.08Å; A725-T788 PolarHBondContact O-N 2.86Å; A725-Y809 HydrophobicContact CB-CD2 4.06Å; A725-T810 CarbonylContact C-O 3.44Å; A725-T810 VanDerWaalsContact CA-O 3.28Å; A725-T810 WeakPolarHBondContact CA-O 3.37Å; A725-L811 HydrophobicContact CB-CD2 3.83Å
726	R	90.4	Very high	91.1	Very high	80 Å²	80	42 Å²	42	30%	0.302	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.8	179.6	-76.3	-176.4	156.1	179.4	-7.7	111.6	C689 G690 I728 V785 P787 T810	C689-R726 WeakPolarHBondContact O-CD 3.5Å; C689-R726 PolarHBondContact O-NH1 3.3Å; G690-R726 VanDerWaalsContact CA-NH1 3.32Å; G690-R726 PolarHBondContact O-NH1 3.15Å; R726-I728 VanDerWaalsContact C-N 3.35Å; R726-I728 PolarHBondContact O-N 2.84Å; R726-V785 WeakPolarHBondContact CA-O 3.35Å; R726-P787 HydrophobicContact CG-CB 3.96Å; R726-T810 WeakPolarHBondContact CB-OG1 3.39Å; R726-T810 PolarHBondContact N-O 2.55Å; R726-T810 PolarHBondContact O-N 3.07Å; R726-T810 PolarHBondContact O-OG1 3.14Å
727	G	89.1	Confident	90.9	Very high	20 Å²	20	44.3 Å²	44.3	21%	0.206	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.6	49.2	179.1	0	0	0	0	0	112.2	H729 A784 V785	G727-H729 PolarHBondContact O-N 3.24Å; G727-A784 CarbonylContact C-O 3.58Å; G727-A784 WeakPolarHBondContact CA-O 3.49Å; G727-V785 PolarHBondContact N-O 3.46Å
728	I	92.8	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.2	-178.7	-57.2	164.7	0	0	0	107.5	V721 A725 R726 V730 F770 Y783 A784 T788 F794 E808	V721-I728 HydrophobicContact CG1-CD1 3.82Å; V721-I728 HydrophobicContact CG1-CG1 4.13Å; A725-I728 HydrophobicContact CB-CD1 4.12Å; A725-I728 HydrophobicContact CB-CG1 4.25Å; R726-I728 VanDerWaalsContact C-N 3.35Å; R726-I728 PolarHBondContact O-N 2.84Å; I728-V730 HydrophobicContact CG2-CG2 4.4Å; I728-F770 HydrophobicContact CD1-CE1 4.38Å; I728-F770 HydrophobicContact CD1-CZ 4.1Å; I728-F770 HydrophobicContact CG2-CE1 4.29Å; I728-Y783 CarbonylContact O-C 3.5Å; I728-Y783 WeakPolarHBondContact O-CA 3.32Å; I728-A784 HydrophobicContact CB-CB 4.44Å; I728-A784 PolarHBondContact N-O 2.84Å; I728-A784 PolarHBondContact O-N 3.48Å; I728-T788 HydrophobicContact CD1-CG2 3.44Å; I728-T788 VanDerWaalsContact CD1-CG2 3.44Å; I728-F794 HydrophobicContact CG2-CE1 4.49Å; I728-F794 HydrophobicContact CG2-CE2 4.33Å; I728-F794 HydrophobicContact CG2-CZ 3.87Å; I728-E808 WeakPolarHBondContact CA-O 3.07Å
729	H	93.9	Very high	90.7	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.185	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.7	176.4	-173.1	64.1	0	0	0	108.9	G727 Q731 Y783 W807 E808	G727-H729 PolarHBondContact O-N 3.24Å; H729-Q731 PolarHBondContact NE2-OE1 2.95Å; H729-Y783 HydrophobicContact CB-CD2 4.15Å; H729-Y783 AromaticContact ND1-CD2 3.76Å; H729-W807 CarbonylContact O-C 3.55Å; H729-W807 VanDerWaalsContact O-CA 3.24Å; H729-W807 WeakPolarHBondContact O-CA 3.26Å; H729-E808 HydrophobicContact CB-CG 3.72Å; H729-E808 PolarHBondContact N-O 2.91Å; H729-E808 PolarHBondContact O-N 3.35Å
730	V	94.7	Very high	90.6	Very high	1 Å²	1	42 Å²	42	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.2	176.7	-176	0	0	0	0	107.2	I728 L740 S781 L782 F794 V805 V806 W807	I728-V730 HydrophobicContact CG2-CG2 4.4Å; V730-L740 HydrophobicContact CG1-CD1 4.1Å; V730-L740 HydrophobicContact CG1-CD2 4.12Å; V730-S781 CarbonylContact O-C 3.48Å; V730-S781 WeakPolarHBondContact O-CA 3.04Å; V730-L782 HydrophobicContact CB-CB 4.48Å; V730-L782 PolarHBondContact N-O 3.38Å; V730-L782 PolarHBondContact O-N 3.28Å; V730-F794 HydrophobicContact CG2-CD1 3.8Å; V730-F794 HydrophobicContact CG2-CE1 3.99Å; V730-F794 HydrophobicContact CG2-CG 4.27Å; V730-V805 HydrophobicContact CG1-CG1 3.68Å; V730-V806 WeakPolarHBondContact CA-O 3.3Å; V730-W807 HydrophobicContact CG1-CB 4.39Å; V730-W807 HydrophobicContact CG2-CB 4Å
731	Q	93.7	Very high	90.6	Very high	73 Å²	73	38.5 Å²	38.5	34%	0.341	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.1	-172.4	-178.9	177.6	-2.2	0	0	111	H729 E780 V806	H729-Q731 PolarHBondContact NE2-OE1 2.95Å; Q731-E780 WeakPolarHBondContact CA-O 3.01Å; Q731-V806 PolarHBondContact N-O 2.94Å; Q731-V806 PolarHBondContact O-N 3.28Å
732	E	92.4	Very high	90.6	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.2	172.5	-160.8	176.3	-136.9	0	0	111.7	E734 S736 P779 E780 P803 V805	E732-E734 WeakPolarHBondContact CG-O 3.06Å; E732-E734 VanDerWaalsContact OE2-O 3.05Å; E732-S736 WeakPolarHBondContact OE1-CB 3.37Å; E732-S736 PolarHBondContact OE1-OG 2.89Å; E732-S736 PolarHBondContact OE2-N 3.37Å; E732-S736 VanDerWaalsContact OE2-N 3.11Å; E732-P779 HydrophobicContact CB-CB 3.97Å; E732-P779 WeakPolarHBondContact O-CB 3.4Å; E732-E780 HydrophobicContact CB-CB 4.4Å; E732-E780 PolarHBondContact N-O 2.91Å; E732-P803 HydrophobicContact CG-CG 4.05Å; E732-V805 HydrophobicContact CG-CG2 4.49Å
733	M	89.8	Confident	90.7	Very high	97 Å²	97	38.3 Å²	38.3	48%	0.478	21%	0.208	S	C	.	.	S	Bend	trans	-75.2	-40.9	-177.5	-69.7	-175.6	69.2	0	0	112.8	G804 V806	M733-G804 WeakPolarHBondContact CB-O 3.16Å; M733-G804 WeakPolarHBondContact CG-O 3.42Å; M733-G804 PolarHBondContact N-O 3.14Å; M733-V806 HydrophobicContact CG-CG2 3.33Å; M733-V806 HydrophobicContact SD-CG2 3.99Å
734	E	87.3	Confident	90.7	Very high	137 Å²	137	36.3 Å²	36.3	64%	0.64	19%	0.191	S	C	*	.	S	Bend	trans	-136.2	159.3	176	-57.9	-174.9	163.1	0	0	109	E732 S736 P803	E732-E734 WeakPolarHBondContact CG-O 3.06Å; E732-E734 VanDerWaalsContact OE2-O 3.05Å; E734-S736 PolarHBondContact O-N 3.09Å; E734-P803 HydrophobicContact CB-CB 3.75Å; E734-P803 HydrophobicContact CB-CG 4.19Å; E734-P803 HydrophobicContact CG-CB 4.27Å; E734-P803 WeakPolarHBondContact O-CG 3.47Å
735	V	86.3	Confident	90.8	Very high	85 Å²	85	40.3 Å²	40.3	52%	0.515	21%	0.206	S	C	.	.			trans	-61.9	121.4	179.3	-176.3	0	0	0	0	109.8
736	S	86.1	Confident	90.6	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.133	25%	0.245	C	C	.	.			trans	-124.9	171.7	173.1	100.6	0	0	0	0	113.7	E732 E734 S738 P803	E732-S736 WeakPolarHBondContact OE1-CB 3.37Å; E732-S736 PolarHBondContact OE1-OG 2.89Å; E732-S736 PolarHBondContact OE2-N 3.37Å; E732-S736 VanDerWaalsContact OE2-N 3.11Å; E734-S736 PolarHBondContact O-N 3.09Å; S736-S738 VanDerWaalsContact C-N 3.28Å; S736-S738 VanDerWaalsContact OG-CB 3.27Å; S736-S738 WeakPolarHBondContact OG-CB 3.24Å; S736-S738 PolarHBondContact OG-N 3.09Å; S736-S738 PolarHBondContact OG-OG 3.23Å; S736-P803 VanDerWaalsContact CB-CD 3.48Å
737	T	86	Confident	90.3	Very high	85 Å²	85	53.3 Å²	53.3	52%	0.521	27%	0.265	S	S	.	.	S	Bend	trans	-83.3	-3.1	172.5	40.3	0	0	0	0	113.1	Y739 Q799	T737-Y739 WeakPolarHBondContact O-CE2 3.34Å; T737-Q799 WeakPolarHBondContact CB-O 3.29Å; T737-Q799 WeakPolarHBondContact O-CB 3.01Å; T737-Q799 PolarHBondContact OG1-O 3.02Å
738	S	88.3	Confident	90.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	28%	0.282	C	S	.	.			trans	-78.9	168.5	175.9	-52.4	0	0	0	0	111.7	S736 R774 L797 Q799	S736-S738 VanDerWaalsContact C-N 3.28Å; S736-S738 VanDerWaalsContact OG-CB 3.27Å; S736-S738 WeakPolarHBondContact OG-CB 3.24Å; S736-S738 PolarHBondContact OG-N 3.09Å; S736-S738 PolarHBondContact OG-OG 3.23Å; S738-R774 PolarHBondContact O-NH2 3.38Å; S738-L797 WeakPolarHBondContact CA-O 3.31Å; S738-L797 WeakPolarHBondContact CB-O 3.32Å; S738-Q799 PolarHBondContact OG-N 3.43Å
739	Y	90.2	Very high	90.2	Very high	42 Å²	42	62 Å²	62	17%	0.165	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.5	-178	-58	-97	0	0	0	111.2	T737 V757 R774 I796 L797	T737-Y739 WeakPolarHBondContact O-CE2 3.34Å; Y739-V757 HydrophobicContact CD1-CB 4.26Å; Y739-V757 HydrophobicContact CD1-CG1 3.46Å; Y739-V757 VanDerWaalsContact CD1-CG1 3.46Å; Y739-V757 HydrophobicContact CD1-CG2 3.71Å; Y739-V757 HydrophobicContact CD2-CG2 4.24Å; Y739-V757 HydrophobicContact CE1-CB 4.12Å; Y739-V757 HydrophobicContact CE1-CG1 3.39Å; Y739-V757 HydrophobicContact CE1-CG2 3.63Å; Y739-V757 HydrophobicContact CE2-CG2 4.25Å; Y739-V757 HydrophobicContact CG-CG1 4.46Å; Y739-V757 HydrophobicContact CG-CG2 4.01Å; Y739-R774 VanDerWaalsContact CZ-NH2 3.29Å; Y739-I796 CarbonylContact O-C 3.6Å; Y739-I796 WeakPolarHBondContact O-CA 3.34Å; Y739-L797 HydrophobicContact CD2-CD2 4.33Å; Y739-L797 PolarHBondContact N-O 3.25Å; Y739-L797 PolarHBondContact O-N 3.18Å
740	L	92.7	Very high	90	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.3	171.2	-60.7	177.3	0	0	0	109.6	M718 V730 T752 E780 L782 V805	M718-L740 HydrophobicContact CE-CD2 3.64Å; V730-L740 HydrophobicContact CG1-CD1 4.1Å; V730-L740 HydrophobicContact CG1-CD2 4.12Å; L740-T752 PolarHBondContact O-OG1 3.24Å; L740-E780 WeakPolarHBondContact CA-OE1 3.4Å; L740-E780 VanDerWaalsContact CB-OE1 3.23Å; L740-E780 WeakPolarHBondContact CB-OE1 3.4Å; L740-E780 HydrophobicContact CD1-CG 4.05Å; L740-E780 HydrophobicContact CG-CG 4.19Å; L740-E780 WeakPolarHBondContact CG-OE1 3.39Å; L740-E780 PolarHBondContact N-OE1 2.99Å; L740-L782 HydrophobicContact CD1-CB 4.2Å; L740-V805 HydrophobicContact CD2-CG1 4.04Å; L740-V805 HydrophobicContact CD2-CG2 4.33Å
741	A	93.3	Very high	89.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149	176.9	0	0	0	0	0	111.4	Y715 L751 T752 F794 E795	Y715-A741 HydrophobicContact CD1-CB 3.97Å; Y715-A741 HydrophobicContact CE1-CB 3.92Å; A741-L751 WeakPolarHBondContact CA-O 3.31Å; A741-T752 WeakPolarHBondContact CA-OG1 3.01Å; A741-T752 WeakPolarHBondContact CB-OG1 3.46Å; A741-F794 WeakPolarHBondContact O-CA 3.42Å; A741-E795 HydrophobicContact CB-CB 4.3Å; A741-E795 PolarHBondContact N-O 2.59Å; A741-E795 PolarHBondContact O-N 3.34Å
742	V	94.3	Very high	89.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.9	178.9	-170.8	0	0	0	0	110.4	Y750 L751 F765 L782 L792 F794	V742-Y750 PolarHBondContact O-N 3.01Å; V742-L751 HydrophobicContact CB-CB 4.15Å; V742-L751 HydrophobicContact CG2-CB 4.2Å; V742-L751 HydrophobicContact CG2-CD2 4.26Å; V742-L751 PolarHBondContact N-O 3.25Å; V742-L751 VanDerWaalsContact N-O 3.1Å; V742-L751 PolarHBondContact O-N 3.07Å; V742-F765 HydrophobicContact CB-CE2 4.29Å; V742-F765 HydrophobicContact CB-CZ 4.23Å; V742-F765 HydrophobicContact CG1-CE2 3.7Å; V742-F765 HydrophobicContact CG1-CZ 4.13Å; V742-F765 HydrophobicContact CG2-CZ 4.35Å; V742-L782 HydrophobicContact CG2-CD2 3.54Å; V742-L792 HydrophobicContact CG1-CB 4.32Å; V742-L792 HydrophobicContact CG1-CD2 4.49Å; V742-F794 HydrophobicContact CG1-CD1 4.49Å; V742-F794 HydrophobicContact CG1-CE1 4.33Å; V742-F794 HydrophobicContact CG1-CZ 4.42Å; V742-F794 HydrophobicContact CG2-CD1 3.58Å; V742-F794 HydrophobicContact CG2-CE1 3.66Å; V742-F794 HydrophobicContact CG2-CG 4.39Å
743	R	93.3	Very high	89.1	Confident	37 Å²	37	59.3 Å²	59.3	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.1	175.2	64.9	172.9	-179.5	73.3	5.2	113.2	S717 K748 Y749 V793 E795	S717-R743 PolarHBondContact OG-NH2 3.41Å; R743-K748 CarbonylContact C-O 3.48Å; R743-K748 WeakPolarHBondContact CA-O 3.3Å; R743-K748 WeakPolarHBondContact CB-O 3.14Å; R743-Y749 HydrophobicContact CB-CD1 3.8Å; R743-Y749 HydrophobicContact CB-CE1 4.01Å; R743-Y749 HydrophobicContact CB-CG 4.15Å; R743-Y749 HydrophobicContact CG-CE1 4.3Å; R743-V793 HydrophobicContact CG-CB 4.1Å; R743-V793 PolarHBondContact N-O 3.31Å; R743-V793 PolarHBondContact O-N 2.72Å; R743-E795 VanDerWaalsContact CD-OE2 3.22Å; R743-E795 WeakPolarHBondContact CD-OE2 3.38Å; R743-E795 IonicContact CZ-OE1 2.93Å; R743-E795 IonicContact NE-OE1 2.68Å; R743-E795 PolarHBondContact NE-OE1 3.47Å; R743-E795 IonicContact NE-OE2 3.4Å; R743-E795 PolarHBondContact NE-OE2 2.82Å; R743-E795 IonicContact NH2-OE1 3.82Å; R743-E795 PolarHBondContact NH2-OE1 3.02Å
744	S	92.1	Very high	88.7	Confident	8 Å²	8	61 Å²	61	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	162.3	167.7	-175.4	0	0	0	0	111.3	K746 K747 K748 E790	S744-K746 PolarHBondContact O-N 2Å; S744-K746 VanDerWaalsContact O-N 3.15Å; S744-K747 PolarHBondContact O-N 3.23Å; S744-K748 PolarHBondContact N-O 2.9Å; S744-E790 PolarHBondContact OG-OE2 3.46Å
745	L	89	Confident	88.3	Confident	109 Å²	109	62.2 Å²	62.2	57%	0.571	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27	168.9	-75.3	175.7	0	0	0	112.7	K747 T791 V793	L745-K747 PolarHBondContact O-N 2.95Å; L745-T791 HydrophobicContact CD1-CG2 3.78Å; L745-T791 HydrophobicContact CD2-CG2 4.33Å; L745-T791 HydrophobicContact CG-CG2 3.96Å; L745-V793 HydrophobicContact CD2-CG2 4.02Å
746	K	88.1	Confident	88.2	Confident	188 Å²	188	62.2 Å²	62.2	82%	0.817	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	10.8	175.9	-62	-178.7	-179.5	177.6	0	114	S744 K748	S744-K746 PolarHBondContact O-N 2Å; S744-K746 VanDerWaalsContact O-N 3.15Å; K746-K748 VanDerWaalsContact C-N 3.25Å; K746-K748 PolarHBondContact O-N 3Å
747	K	84.1	Confident	88.1	Confident	166 Å²	166	64.2 Å²	64.2	72%	0.722	30%	0.304	S	S	*	.	S	Bend	trans	60.6	24.8	-176.2	-58.2	-172	175.9	-173.4	0	115.4	S744 L745	S744-K747 PolarHBondContact O-N 3.23Å; L745-K747 PolarHBondContact O-N 2.95Å
748	K	89.4	Confident	88.1	Confident	132 Å²	132	62.7 Å²	62.7	57%	0.574	29%	0.293	S	S	*	.			trans	-86	120.2	168.4	-179.3	179.8	177.5	-178.8	0	109.2	R743 S744 K746 Y750	R743-K748 CarbonylContact C-O 3.48Å; R743-K748 WeakPolarHBondContact CA-O 3.3Å; R743-K748 WeakPolarHBondContact CB-O 3.14Å; S744-K748 PolarHBondContact N-O 2.9Å; K746-K748 VanDerWaalsContact C-N 3.25Å; K746-K748 PolarHBondContact O-N 3Å; K748-Y750 HydrophobicContact CD-CE1 3.96Å; K748-Y750 HydrophobicContact CG-CE1 4.32Å
749	Y	90.2	Very high	87.8	Confident	70 Å²	70	73.2 Å²	73.2	28%	0.275	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	140.7	174.2	-72.2	-87.4	0	0	0	111.2	Y715 R743 E795	Y715-Y749 HydrophobicContact CD1-CE1 4.3Å; Y715-Y749 HydrophobicContact CE1-CE1 4.34Å; R743-Y749 HydrophobicContact CB-CD1 3.8Å; R743-Y749 HydrophobicContact CB-CE1 4.01Å; R743-Y749 HydrophobicContact CB-CG 4.15Å; R743-Y749 HydrophobicContact CG-CE1 4.3Å; Y749-E795 PolarHBondContact OH-OE2 3.5Å
750	Y	89.3	Confident	87.6	Confident	56 Å²	56	74.4 Å²	74.4	22%	0.22	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-26.6	175.7	-64.6	-57.7	0	0	0	112.6	V742 K748 F765 E790 L792	V742-Y750 PolarHBondContact O-N 3.01Å; K748-Y750 HydrophobicContact CD-CE1 3.96Å; K748-Y750 HydrophobicContact CG-CE1 4.32Å; Y750-F765 HydrophobicContact CD1-CB 3.7Å; Y750-F765 HydrophobicContact CD1-CG 4.27Å; Y750-F765 HydrophobicContact CD2-CB 3.98Å; Y750-F765 AromaticContact CD2-CD2 3.75Å; Y750-F765 HydrophobicContact CD2-CD2 3.75Å; Y750-F765 HydrophobicContact CD2-CE2 4.45Å; Y750-F765 AromaticContact CD2-CG 3.98Å; Y750-F765 HydrophobicContact CD2-CG 3.98Å; Y750-F765 HydrophobicContact CE1-CB 4.09Å; Y750-F765 HydrophobicContact CE2-CB 4.31Å; Y750-F765 HydrophobicContact CE2-CD2 4.43Å; Y750-F765 HydrophobicContact CG-CB 3.65Å; Y750-F765 HydrophobicContact CG-CD1 4.29Å; Y750-F765 AromaticContact CG-CD2 3.97Å; Y750-F765 HydrophobicContact CG-CD2 3.97Å; Y750-F765 AromaticContact CG-CG 3.73Å; Y750-F765 HydrophobicContact CG-CG 3.73Å; Y750-E790 VanDerWaalsContact CE2-OE1 3.28Å; Y750-E790 WeakPolarHBondContact CE2-OE1 3.49Å; Y750-E790 VanDerWaalsContact CZ-OE1 3.26Å; Y750-E790 PolarHBondContact OH-OE1 3.23Å; Y750-E790 PolarHBondContact OH-OE2 2.98Å; Y750-L792 HydrophobicContact CD2-CD2 4.08Å; Y750-L792 HydrophobicContact CE2-CD2 3.87Å
751	L	89.5	Confident	87.2	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.6	176.5	-172.5	73.9	0	0	0	108.1	A741 V742 D758 F763 Y772 L782	A741-L751 WeakPolarHBondContact CA-O 3.31Å; V742-L751 HydrophobicContact CB-CB 4.15Å; V742-L751 HydrophobicContact CG2-CB 4.2Å; V742-L751 HydrophobicContact CG2-CD2 4.26Å; V742-L751 PolarHBondContact N-O 3.25Å; V742-L751 VanDerWaalsContact N-O 3.1Å; V742-L751 PolarHBondContact O-N 3.07Å; L751-D758 HydrophobicContact CD1-CB 3.9Å; L751-F763 HydrophobicContact CD1-CD2 3.89Å; L751-F763 HydrophobicContact CD1-CE1 4.35Å; L751-F763 HydrophobicContact CD1-CE2 3.73Å; L751-F763 HydrophobicContact CD1-CG 4.3Å; L751-F763 HydrophobicContact CD1-CZ 3.99Å; L751-Y772 HydrophobicContact CD1-CD1 4.02Å; L751-Y772 HydrophobicContact CD1-CE1 4.45Å; L751-Y772 HydrophobicContact CD1-CG 4.14Å; L751-Y772 HydrophobicContact CD2-CD2 3.9Å; L751-Y772 HydrophobicContact CD2-CE2 4.22Å; L751-Y772 HydrophobicContact CD2-CG 4.12Å; L751-L782 HydrophobicContact CD2-CD1 4.11Å; L751-L782 HydrophobicContact CD2-CD2 3.9Å
752	T	85.7	Confident	86.6	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	48.5	59.9	175	61.7	0	0	0	0	113.2	Y715 L740 A741 T756 V757 D758	Y715-T752 WeakPolarHBondContact CE1-O 3.35Å; L740-T752 PolarHBondContact O-OG1 3.24Å; A741-T752 WeakPolarHBondContact CA-OG1 3.01Å; A741-T752 WeakPolarHBondContact CB-OG1 3.46Å; T752-T756 CarbonylContact C-O 3.58Å; T752-T756 WeakPolarHBondContact CA-O 3.05Å; T752-V757 HydrophobicContact CG2-CG1 4.26Å; T752-D758 HydrophobicContact CG2-CB 4.36Å; T752-D758 PolarHBondContact N-OD2 2.83Å
753	G	85.8	Confident	86.2	Confident	8 Å²	8	85.1 Å²	85.1	8%	0.082	40%	0.396	C	S	.	.			trans	-95.3	163.9	177	0	0	0	0	0	113.5	W755 T756	G753-W755 PolarHBondContact O-N 2.94Å; G753-W755 VanDerWaalsContact O-N 3.07Å; G753-T756 PolarHBondContact O-N 3.39Å; G753-T756 PolarHBondContact O-OG1 3.42Å
754	D	82	Confident	85.8	Confident	132 Å²	132	91.7 Å²	91.7	71%	0.706	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	33.9	170.4	-59.4	-31.1	0	0	0	115.2	T756	D754-T756 PolarHBondContact O-N 3.08Å
755	W	79.7	Confident	85.6	Confident	163 Å²	163	91.9 Å²	91.9	62%	0.617	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	13.8	-176.7	-50.8	88.9	0	0	0	114.5	N713 Y715 G753 L797	N713-W755 VanDerWaalsContact O-CH2 3.27Å; N713-W755 WeakPolarHBondContact O-CH2 3.09Å; Y715-W755 HydrophobicContact CE2-CD2 4.29Å; Y715-W755 HydrophobicContact CE2-CZ2 4.49Å; Y715-W755 WeakPolarHBondContact OH-CA 3.47Å; Y715-W755 PolarHBondContact OH-N 3.45Å; G753-W755 PolarHBondContact O-N 2.94Å; G753-W755 VanDerWaalsContact O-N 3.07Å; W755-L797 HydrophobicContact CE3-CD1 4Å; W755-L797 HydrophobicContact CZ3-CD1 3.79Å
756	T	83.1	Confident	85.3	Confident	86 Å²	86	87 Å²	87	53%	0.528	40%	0.398	S	S	.	.			trans	-100	139.3	173.1	64.6	0	0	0	0	110	T752 G753 D754	T752-T756 CarbonylContact C-O 3.58Å; T752-T756 WeakPolarHBondContact CA-O 3.05Å; G753-T756 PolarHBondContact O-N 3.39Å; G753-T756 PolarHBondContact O-OG1 3.42Å; D754-T756 PolarHBondContact O-N 3.08Å
757	V	84.3	Confident	85	Confident	60 Å²	60	79.5 Å²	79.5	36%	0.364	37%	0.373	S	S	.	.			trans	-105.4	124.8	-179.5	175.7	0	0	0	0	108.9	Y739 T752	Y739-V757 HydrophobicContact CD1-CB 4.26Å; Y739-V757 HydrophobicContact CD1-CG1 3.46Å; Y739-V757 VanDerWaalsContact CD1-CG1 3.46Å; Y739-V757 HydrophobicContact CD1-CG2 3.71Å; Y739-V757 HydrophobicContact CD2-CG2 4.24Å; Y739-V757 HydrophobicContact CE1-CB 4.12Å; Y739-V757 HydrophobicContact CE1-CG1 3.39Å; Y739-V757 HydrophobicContact CE1-CG2 3.63Å; Y739-V757 HydrophobicContact CE2-CG2 4.25Å; Y739-V757 HydrophobicContact CG-CG1 4.46Å; Y739-V757 HydrophobicContact CG-CG2 4.01Å; T752-V757 HydrophobicContact CG2-CG1 4.26Å
758	D	85.4	Confident	85.2	Confident	54 Å²	54	72.2 Å²	72.2	29%	0.289	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-76.3	148	174.4	-72.8	-70.4	0	0	0	112	L751 T752 F763 Y772	L751-D758 HydrophobicContact CD1-CB 3.9Å; T752-D758 HydrophobicContact CG2-CB 4.36Å; T752-D758 PolarHBondContact N-OD2 2.83Å; D758-F763 HydrophobicContact CB-CE1 4.25Å; D758-F763 HydrophobicContact CB-CZ 3.8Å; D758-Y772 WeakPolarHBondContact O-CE1 3.41Å
759	W	82.1	Confident	85	Confident	222 Å²	222	67.7 Å²	67.7	84%	0.841	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-74.2	152.2	173.8	-69.1	100.8	0	0	0	111.6	G761	W759-G761 PolarHBondContact O-N 3.11Å
760	P	87.2	Confident	84.9	Confident	66 Å²	66	64.3 Å²	64.3	43%	0.429	31%	0.313	S	S	.	.	S	Bend	trans	-53.2	133.9	174.3	-24.4	34.1	0	0	0	111.5	Y772 R774	P760-Y772 CarbonylContact C-O 3.57Å; P760-Y772 WeakPolarHBondContact CA-O 3.33Å; P760-R774 HydrophobicContact CG-CB 4.08Å; P760-R774 WeakPolarHBondContact CG-O 3.27Å
761	G	83.6	Confident	84.9	Confident	27 Å²	27	63.6 Å²	63.6	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-175.2	-173	0	0	0	0	0	113.3	W759 Y772	W759-G761 PolarHBondContact O-N 3.11Å; G761-Y772 PolarHBondContact N-O 3.03Å; G761-Y772 WeakPolarHBondContact O-CB 3.42Å; G761-Y772 PolarHBondContact O-N 2.85Å
762	R	80.1	Confident	85.1	Confident	156 Å²	156	63.7 Å²	63.7	59%	0.589	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.6	-179.6	-65.4	-177.2	-176.1	167.2	4.4	110.7	V769 F770	R762-V769 HydrophobicContact CB-CG1 3.96Å; R762-V769 HydrophobicContact CG-CG1 4.44Å; R762-F770 CarbonylContact C-O 3.51Å; R762-F770 WeakPolarHBondContact CA-O 3.31Å
763	F	86.4	Confident	85.3	Confident	48 Å²	48	68.5 Å²	68.5	21%	0.211	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.4	-177.1	-63.5	-92.1	0	0	0	110.2	L751 D758 F765 V769 F770 Y772	L751-F763 HydrophobicContact CD1-CD2 3.89Å; L751-F763 HydrophobicContact CD1-CE1 4.35Å; L751-F763 HydrophobicContact CD1-CE2 3.73Å; L751-F763 HydrophobicContact CD1-CG 4.3Å; L751-F763 HydrophobicContact CD1-CZ 3.99Å; D758-F763 HydrophobicContact CB-CE1 4.25Å; D758-F763 HydrophobicContact CB-CZ 3.8Å; F763-F765 HydrophobicContact CB-CD1 3.79Å; F763-F765 HydrophobicContact CB-CE1 3.64Å; F763-V769 WeakPolarHBondContact O-CA 3.03Å; F763-F770 PolarHBondContact N-O 3.22Å; F763-F770 PolarHBondContact O-N 3.24Å; F763-Y772 HydrophobicContact CE2-CD1 4.1Å; F763-Y772 HydrophobicContact CE2-CG 4.49Å
764	Y	85.4	Confident	85.2	Confident	175 Å²	175	71.7 Å²	71.7	69%	0.686	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.3	178.6	-176.8	-99.8	0	0	0	110.5	V769	Y764-V769 HydrophobicContact CD2-CG2 3.77Å
765	F	88	Confident	85.3	Confident	12 Å²	12	68.7 Å²	68.7	5%	0.053	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	159	176.5	58.5	-96.5	0	0	0	111.3	V742 Y750 F763 G767 T768 F770 L792	V742-F765 HydrophobicContact CB-CE2 4.29Å; V742-F765 HydrophobicContact CB-CZ 4.23Å; V742-F765 HydrophobicContact CG1-CE2 3.7Å; V742-F765 HydrophobicContact CG1-CZ 4.13Å; V742-F765 HydrophobicContact CG2-CZ 4.35Å; Y750-F765 HydrophobicContact CD1-CB 3.7Å; Y750-F765 HydrophobicContact CD1-CG 4.27Å; Y750-F765 HydrophobicContact CD2-CB 3.98Å; Y750-F765 AromaticContact CD2-CD2 3.75Å; Y750-F765 HydrophobicContact CD2-CD2 3.75Å; Y750-F765 HydrophobicContact CD2-CE2 4.45Å; Y750-F765 AromaticContact CD2-CG 3.98Å; Y750-F765 HydrophobicContact CD2-CG 3.98Å; Y750-F765 HydrophobicContact CE1-CB 4.09Å; Y750-F765 HydrophobicContact CE2-CB 4.31Å; Y750-F765 HydrophobicContact CE2-CD2 4.43Å; Y750-F765 HydrophobicContact CG-CB 3.65Å; Y750-F765 HydrophobicContact CG-CD1 4.29Å; Y750-F765 AromaticContact CG-CD2 3.97Å; Y750-F765 HydrophobicContact CG-CD2 3.97Å; Y750-F765 AromaticContact CG-CG 3.73Å; Y750-F765 HydrophobicContact CG-CG 3.73Å; F763-F765 HydrophobicContact CB-CD1 3.79Å; F763-F765 HydrophobicContact CB-CE1 3.64Å; F765-G767 PolarHBondContact O-N 2.75Å; F765-G767 VanDerWaalsContact O-N 3.1Å; F765-T768 PolarHBondContact N-O 3.2Å; F765-T768 PolarHBondContact O-N 2.88Å; F765-F770 HydrophobicContact CD1-CD2 4.15Å; F765-F770 AromaticContact CD2-CD2 3.69Å; F765-F770 HydrophobicContact CD2-CD2 3.69Å; F765-F770 AromaticContact CD2-CE2 3.63Å; F765-F770 HydrophobicContact CD2-CE2 3.63Å; F765-F770 HydrophobicContact CE1-CB 3.85Å; F765-F770 AromaticContact CE1-CD2 3.72Å; F765-F770 HydrophobicContact CE1-CD2 3.72Å; F765-F770 AromaticContact CE1-CG 3.93Å; F765-F770 HydrophobicContact CE1-CG 3.93Å; F765-F770 HydrophobicContact CE2-CD1 4.33Å; F765-F770 AromaticContact CE2-CD2 3.18Å; F765-F770 HydrophobicContact CE2-CD2 3.18Å; F765-F770 HydrophobicContact CE2-CE1 4.37Å; F765-F770 AromaticContact CE2-CE2 3.19Å; F765-F770 HydrophobicContact CE2-CE2 3.19Å; F765-F770 AromaticContact CE2-CG 3.79Å; F765-F770 HydrophobicContact CE2-CG 3.79Å; F765-F770 AromaticContact CE2-CZ 3.84Å; F765-F770 HydrophobicContact CE2-CZ 3.84Å; F765-F770 HydrophobicContact CG-CD2 4.14Å; F765-F770 HydrophobicContact CG-CE2 4.46Å; F765-F770 HydrophobicContact CZ-CB 3.76Å; F765-F770 HydrophobicContact CZ-CD1 4.04Å; F765-F770 AromaticContact CZ-CD2 3.2Å; F765-F770 HydrophobicContact CZ-CD2 3.2Å; F765-F770 HydrophobicContact CZ-CE1 4.5Å; F765-F770 AromaticContact CZ-CE2 3.74Å; F765-F770 HydrophobicContact CZ-CE2 3.74Å; F765-F770 AromaticContact CZ-CG 3.37Å; F765-F770 HydrophobicContact CZ-CG 3.37Å; F765-F770 HydrophobicContact CZ-CZ 4.36Å; F765-L792 HydrophobicContact CD2-CD1 4.1Å; F765-L792 HydrophobicContact CD2-CD2 4.19Å; F765-L792 HydrophobicContact CE2-CD1 3.97Å
766	G	81.6	Confident	85.1	Confident	7 Å²	7	70.7 Å²	70.7	7%	0.072	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	25.7	-178.5	0	0	0	0	0	115.3	T768 T788 N789 E790	G766-T768 VanDerWaalsContact C-N 3.31Å; G766-T768 PolarHBondContact O-N 3.2Å; G766-T788 CarbonylContact O-C 3.56Å; G766-T788 VanDerWaalsContact O-CA 3.26Å; G766-T788 WeakPolarHBondContact O-CA 3.38Å; G766-N789 PolarHBondContact O-N 3.2Å; G766-E790 WeakPolarHBondContact CA-OE1 3.41Å; G766-E790 PolarHBondContact N-OE1 3.16Å
767	G	82.7	Confident	85	Confident	30 Å²	30	73.9 Å²	73.9	31%	0.309	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	4.2	177.3	0	0	0	0	0	115.7	F765	F765-G767 PolarHBondContact O-N 2.75Å; F765-G767 VanDerWaalsContact O-N 3.1Å
768	T	86.9	Confident	85.1	Confident	13 Å²	13	77.9 Å²	77.9	8%	0.08	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	165.3	176.1	-175.4	0	0	0	0	110.2	F765 G766 F770 A784 G786 T788	F765-T768 PolarHBondContact N-O 3.2Å; F765-T768 PolarHBondContact O-N 2.88Å; G766-T768 VanDerWaalsContact C-N 3.31Å; G766-T768 PolarHBondContact O-N 3.2Å; T768-F770 HydrophobicContact CG2-CD2 3.9Å; T768-F770 HydrophobicContact CG2-CE2 3.33Å; T768-F770 HydrophobicContact CG2-CZ 3.88Å; T768-A784 HydrophobicContact CG2-CB 4.02Å; T768-G786 PolarHBondContact OG1-N 3.35Å; T768-T788 HydrophobicContact CG2-CG2 4.15Å
769	V	85.4	Confident	85.2	Confident	36 Å²	36	77 Å²	77	22%	0.218	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.1	168.9	-179.2	0	0	0	0	108.5	R762 F763 Y764 A784	R762-V769 HydrophobicContact CB-CG1 3.96Å; R762-V769 HydrophobicContact CG-CG1 4.44Å; F763-V769 WeakPolarHBondContact O-CA 3.03Å; Y764-V769 HydrophobicContact CD2-CG2 3.77Å; V769-A784 WeakPolarHBondContact O-CB 3.25Å
770	F	89.6	Confident	85.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	170.7	-76.6	-92.6	0	0	0	109.4	I728 R762 F763 F765 T768 L782 Y783 A784 L792 F794	I728-F770 HydrophobicContact CD1-CE1 4.38Å; I728-F770 HydrophobicContact CD1-CZ 4.1Å; I728-F770 HydrophobicContact CG2-CE1 4.29Å; R762-F770 CarbonylContact C-O 3.51Å; R762-F770 WeakPolarHBondContact CA-O 3.31Å; F763-F770 PolarHBondContact N-O 3.22Å; F763-F770 PolarHBondContact O-N 3.24Å; F765-F770 HydrophobicContact CD1-CD2 4.15Å; F765-F770 AromaticContact CD2-CD2 3.69Å; F765-F770 HydrophobicContact CD2-CD2 3.69Å; F765-F770 AromaticContact CD2-CE2 3.63Å; F765-F770 HydrophobicContact CD2-CE2 3.63Å; F765-F770 HydrophobicContact CE1-CB 3.85Å; F765-F770 AromaticContact CE1-CD2 3.72Å; F765-F770 HydrophobicContact CE1-CD2 3.72Å; F765-F770 AromaticContact CE1-CG 3.93Å; F765-F770 HydrophobicContact CE1-CG 3.93Å; F765-F770 HydrophobicContact CE2-CD1 4.33Å; F765-F770 AromaticContact CE2-CD2 3.18Å; F765-F770 HydrophobicContact CE2-CD2 3.18Å; F765-F770 HydrophobicContact CE2-CE1 4.37Å; F765-F770 AromaticContact CE2-CE2 3.19Å; F765-F770 HydrophobicContact CE2-CE2 3.19Å; F765-F770 AromaticContact CE2-CG 3.79Å; F765-F770 HydrophobicContact CE2-CG 3.79Å; F765-F770 AromaticContact CE2-CZ 3.84Å; F765-F770 HydrophobicContact CE2-CZ 3.84Å; F765-F770 HydrophobicContact CG-CD2 4.14Å; F765-F770 HydrophobicContact CG-CE2 4.46Å; F765-F770 HydrophobicContact CZ-CB 3.76Å; F765-F770 HydrophobicContact CZ-CD1 4.04Å; F765-F770 AromaticContact CZ-CD2 3.2Å; F765-F770 HydrophobicContact CZ-CD2 3.2Å; F765-F770 HydrophobicContact CZ-CE1 4.5Å; F765-F770 AromaticContact CZ-CE2 3.74Å; F765-F770 HydrophobicContact CZ-CE2 3.74Å; F765-F770 AromaticContact CZ-CG 3.37Å; F765-F770 HydrophobicContact CZ-CG 3.37Å; F765-F770 HydrophobicContact CZ-CZ 4.36Å; T768-F770 HydrophobicContact CG2-CD2 3.9Å; T768-F770 HydrophobicContact CG2-CE2 3.33Å; T768-F770 HydrophobicContact CG2-CZ 3.88Å; F770-L782 HydrophobicContact CB-CD1 3.91Å; F770-L782 HydrophobicContact CD1-CD1 4.16Å; F770-L782 HydrophobicContact CD1-CD2 4.38Å; F770-L782 HydrophobicContact CD1-CG 4.01Å; F770-L782 HydrophobicContact CG-CD1 4.48Å; F770-Y783 CarbonylContact C-O 3.49Å; F770-Y783 WeakPolarHBondContact CA-O 3.22Å; F770-A784 HydrophobicContact CD1-CB 3.45Å; F770-A784 VanDerWaalsContact CD1-CB 3.45Å; F770-A784 HydrophobicContact CD2-CB 4.21Å; F770-A784 HydrophobicContact CE1-CB 3.41Å; F770-A784 VanDerWaalsContact CE1-CB 3.41Å; F770-A784 HydrophobicContact CE2-CB 4.2Å; F770-A784 HydrophobicContact CG-CB 3.86Å; F770-A784 HydrophobicContact CZ-CB 3.81Å; F770-L792 HydrophobicContact CE2-CD1 3.76Å; F770-L792 HydrophobicContact CZ-CD1 3.57Å; F770-F794 HydrophobicContact CE1-CE1 4.12Å; F770-F794 AromaticContact CE1-CZ 3.72Å; F770-F794 HydrophobicContact CE1-CZ 3.72Å; F770-F794 HydrophobicContact CZ-CZ 4.11Å
771	D	89.1	Confident	85.9	Confident	41 Å²	41	64.3 Å²	64.3	22%	0.219	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.5	173.1	-168.1	20.9	0	0	0	108.8	Q773 L782 Y783	D771-Q773 PolarHBondContact OD2-NE2 3.44Å; D771-L782 WeakPolarHBondContact O-CA 3.29Å; D771-Y783 PolarHBondContact N-O 2.95Å; D771-Y783 PolarHBondContact O-N 3.28Å
772	Y	92.2	Very high	86.4	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.3	-178.8	175.1	-122.4	0	0	0	109.6	L751 D758 P760 G761 F763 R774 E780 L782	L751-Y772 HydrophobicContact CD1-CD1 4.02Å; L751-Y772 HydrophobicContact CD1-CE1 4.45Å; L751-Y772 HydrophobicContact CD1-CG 4.14Å; L751-Y772 HydrophobicContact CD2-CD2 3.9Å; L751-Y772 HydrophobicContact CD2-CE2 4.22Å; L751-Y772 HydrophobicContact CD2-CG 4.12Å; D758-Y772 WeakPolarHBondContact O-CE1 3.41Å; P760-Y772 CarbonylContact C-O 3.57Å; P760-Y772 WeakPolarHBondContact CA-O 3.33Å; G761-Y772 PolarHBondContact N-O 3.03Å; G761-Y772 WeakPolarHBondContact O-CB 3.42Å; G761-Y772 PolarHBondContact O-N 2.85Å; F763-Y772 HydrophobicContact CE2-CD1 4.1Å; F763-Y772 HydrophobicContact CE2-CG 4.49Å; Y772-R774 WeakPolarHBondContact OH-CD 3.5Å; Y772-E780 HydrophobicContact CE2-CG 3.65Å; Y772-E780 VanDerWaalsContact CE2-OE1 3.22Å; Y772-E780 WeakPolarHBondContact CE2-OE1 3.5Å; Y772-E780 PolarHBondContact OH-OE1 2.87Å; Y772-E780 VanDerWaalsContact OH-OE1 3.1Å; Y772-L782 HydrophobicContact CD2-CD1 4.15Å; Y772-L782 HydrophobicContact CG-CD1 4.39Å
773	Q	89.9	Confident	87	Confident	100 Å²	100	60.7 Å²	60.7	47%	0.467	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.2	-176.4	-59.9	-174.8	8.1	0	0	110.8	D771 S781	D771-Q773 PolarHBondContact OD2-NE2 3.44Å; Q773-S781 PolarHBondContact N-O 3.16Å; Q773-S781 PolarHBondContact O-N 2.96Å
774	R	85.1	Confident	87.2	Confident	75 Å²	75	58.5 Å²	58.5	28%	0.283	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	122.5	174.6	-164.7	171.3	-169.9	-112.6	5.7	108.9	S738 Y739 P760 Y772 E780	S738-R774 PolarHBondContact O-NH2 3.38Å; Y739-R774 VanDerWaalsContact CZ-NH2 3.29Å; P760-R774 HydrophobicContact CG-CB 4.08Å; P760-R774 WeakPolarHBondContact CG-O 3.27Å; Y772-R774 WeakPolarHBondContact OH-CD 3.5Å; R774-E780 HydrophobicContact CB-CG 4.35Å; R774-E780 VanDerWaalsContact CD-OE2 3.25Å; R774-E780 WeakPolarHBondContact CD-OE2 3.46Å; R774-E780 HydrophobicContact CG-CB 4.38Å; R774-E780 HydrophobicContact CG-CG 4.16Å; R774-E780 IonicContact CZ-OE2 2.72Å; R774-E780 IonicContact NE-OE2 2.86Å; R774-E780 PolarHBondContact NE-OE2 3.37Å; R774-E780 IonicContact NH2-OE2 3.94Å
775	S	82.6	Confident	87.1	Confident	70 Å²	70	53.1 Å²	53.1	49%	0.49	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.6	176.5	-56	0	0	0	0	108.6	N777 K778	S775-N777 PolarHBondContact O-N 2.87Å; S775-K778 PolarHBondContact O-N 2.99Å; S775-K778 VanDerWaalsContact O-N 3.12Å
776	F	75.9	Confident	86.7	Confident	205 Å²	205	53.3 Å²	53.3	90%	0.899	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.2	-177.2	-66.3	-78.6	0	0	0	114.3
777	N	81.4	Confident	87	Confident	153 Å²	153	55.4 Å²	55.4	82%	0.818	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	7.8	-175.3	-60.2	-3.4	0	0	0	113.8	S775	S775-N777 PolarHBondContact O-N 2.87Å
778	K	85.6	Confident	87.4	Confident	144 Å²	144	54.2 Å²	54.2	63%	0.626	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.7	-178.4	-68.1	-174.1	179.1	179.8	0	110.5	S775	S775-K778 PolarHBondContact O-N 2.99Å; S775-K778 VanDerWaalsContact O-N 3.12Å
779	P	87.9	Confident	87.5	Confident	34 Å²	34	59.7 Å²	59.7	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	150	175.4	24.7	-32.7	0	0	0	110.9	E732	E732-P779 HydrophobicContact CB-CB 3.97Å; E732-P779 WeakPolarHBondContact O-CB 3.4Å
780	E	92.3	Very high	87.7	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.019	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	136.1	177.6	-166.9	171.4	141.5	0	0	110.9	Q731 E732 L740 Y772 R774	Q731-E780 WeakPolarHBondContact CA-O 3.01Å; E732-E780 HydrophobicContact CB-CB 4.4Å; E732-E780 PolarHBondContact N-O 2.91Å; L740-E780 WeakPolarHBondContact CA-OE1 3.4Å; L740-E780 VanDerWaalsContact CB-OE1 3.23Å; L740-E780 WeakPolarHBondContact CB-OE1 3.4Å; L740-E780 HydrophobicContact CD1-CG 4.05Å; L740-E780 HydrophobicContact CG-CG 4.19Å; L740-E780 WeakPolarHBondContact CG-OE1 3.39Å; L740-E780 PolarHBondContact N-OE1 2.99Å; Y772-E780 HydrophobicContact CE2-CG 3.65Å; Y772-E780 VanDerWaalsContact CE2-OE1 3.22Å; Y772-E780 WeakPolarHBondContact CE2-OE1 3.5Å; Y772-E780 PolarHBondContact OH-OE1 2.87Å; Y772-E780 VanDerWaalsContact OH-OE1 3.1Å; R774-E780 HydrophobicContact CB-CG 4.35Å; R774-E780 VanDerWaalsContact CD-OE2 3.25Å; R774-E780 WeakPolarHBondContact CD-OE2 3.46Å; R774-E780 HydrophobicContact CG-CB 4.38Å; R774-E780 HydrophobicContact CG-CG 4.16Å; R774-E780 IonicContact CZ-OE2 2.72Å; R774-E780 IonicContact NE-OE2 2.86Å; R774-E780 PolarHBondContact NE-OE2 3.37Å; R774-E780 IonicContact NH2-OE2 3.94Å
781	S	93.2	Very high	87.9	Confident	19 Å²	19	62.2 Å²	62.2	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.3	-179.4	66.6	0	0	0	0	112.6	V730 Q773	V730-S781 CarbonylContact O-C 3.48Å; V730-S781 WeakPolarHBondContact O-CA 3.04Å; Q773-S781 PolarHBondContact N-O 3.16Å; Q773-S781 PolarHBondContact O-N 2.96Å
782	L	94	Very high	88.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	116.9	-178.9	-175.2	63.8	0	0	0	109.3	V730 L740 V742 L751 F770 D771 Y772 F794	V730-L782 HydrophobicContact CB-CB 4.48Å; V730-L782 PolarHBondContact N-O 3.38Å; V730-L782 PolarHBondContact O-N 3.28Å; L740-L782 HydrophobicContact CD1-CB 4.2Å; V742-L782 HydrophobicContact CG2-CD2 3.54Å; L751-L782 HydrophobicContact CD2-CD1 4.11Å; L751-L782 HydrophobicContact CD2-CD2 3.9Å; F770-L782 HydrophobicContact CB-CD1 3.91Å; F770-L782 HydrophobicContact CD1-CD1 4.16Å; F770-L782 HydrophobicContact CD1-CD2 4.38Å; F770-L782 HydrophobicContact CD1-CG 4.01Å; F770-L782 HydrophobicContact CG-CD1 4.48Å; D771-L782 WeakPolarHBondContact O-CA 3.29Å; Y772-L782 HydrophobicContact CD2-CD1 4.15Å; Y772-L782 HydrophobicContact CG-CD1 4.39Å; L782-F794 HydrophobicContact CD2-CD1 4.01Å; L782-F794 HydrophobicContact CD2-CE1 3.61Å; L782-F794 HydrophobicContact CG-CE1 4.48Å
783	Y	92.3	Very high	88.2	Confident	106 Å²	106	60.3 Å²	60.3	42%	0.416	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.3	-172.6	175.2	-101.6	0	0	0	112.6	I728 H729 F770 D771 V785	I728-Y783 CarbonylContact O-C 3.5Å; I728-Y783 WeakPolarHBondContact O-CA 3.32Å; H729-Y783 HydrophobicContact CB-CD2 4.15Å; H729-Y783 AromaticContact ND1-CD2 3.76Å; F770-Y783 CarbonylContact C-O 3.49Å; F770-Y783 WeakPolarHBondContact CA-O 3.22Å; D771-Y783 PolarHBondContact N-O 2.95Å; D771-Y783 PolarHBondContact O-N 3.28Å; Y783-V785 HydrophobicContact CE1-CG2 3.89Å
784	A	90.4	Very high	88.4	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.6	172.1	0	0	0	0	0	112.9	G727 I728 T768 V769 F770	G727-A784 CarbonylContact C-O 3.58Å; G727-A784 WeakPolarHBondContact CA-O 3.49Å; I728-A784 HydrophobicContact CB-CB 4.44Å; I728-A784 PolarHBondContact N-O 2.84Å; I728-A784 PolarHBondContact O-N 3.48Å; T768-A784 HydrophobicContact CG2-CB 4.02Å; V769-A784 WeakPolarHBondContact O-CB 3.25Å; F770-A784 HydrophobicContact CD1-CB 3.45Å; F770-A784 VanDerWaalsContact CD1-CB 3.45Å; F770-A784 HydrophobicContact CD2-CB 4.21Å; F770-A784 HydrophobicContact CE1-CB 3.41Å; F770-A784 VanDerWaalsContact CE1-CB 3.41Å; F770-A784 HydrophobicContact CE2-CB 4.2Å; F770-A784 HydrophobicContact CG-CB 3.86Å; F770-A784 HydrophobicContact CZ-CB 3.81Å
785	V	83.3	Confident	88.8	Confident	63 Å²	63	52.4 Å²	52.4	38%	0.382	27%	0.274	S	S	.	.			trans	-72.3	-34.1	178.2	-173.6	0	0	0	0	111.8	R726 G727 Y783	R726-V785 WeakPolarHBondContact CA-O 3.35Å; G727-V785 PolarHBondContact N-O 3.46Å; Y783-V785 HydrophobicContact CE1-CG2 3.89Å
786	G	79.6	Confident	89.3	Confident	15 Å²	15	49.1 Å²	49.1	16%	0.155	25%	0.251	C	S	.	.			trans	76.1	-175.2	-176.6	0	0	0	0	0	113.5	T768	T768-G786 PolarHBondContact OG1-N 3.35Å
787	P	88.1	Confident	89.9	Confident	52 Å²	52	39.5 Å²	39.5	34%	0.338	21%	0.209	S	C	.	.			cis	-80.5	150.2	6.6	32.2	-32.6	0	0	0	113.5	A725 R726	A725-P787 VanDerWaalsContact O-CA 3.29Å; A725-P787 WeakPolarHBondContact O-CA 3.4Å; R726-P787 HydrophobicContact CG-CB 3.96Å
788	T	90.3	Very high	90.2	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.025	17%	0.17	C	C	.	.			trans	-76.6	140.9	171.9	52.2	0	0	0	0	111.9	P722 A723 G724 A725 I728 G766 T768 L792	P722-T788 PolarHBondContact O-OG1 2.71Å; A723-T788 WeakPolarHBondContact CA-OG1 3.29Å; G724-T788 PolarHBondContact N-O 3.07Å; G724-T788 PolarHBondContact N-OG1 2.89Å; G724-T788 VanDerWaalsContact N-OG1 3.16Å; A725-T788 PolarHBondContact N-OG1 2.89Å; A725-T788 VanDerWaalsContact N-OG1 3.08Å; A725-T788 PolarHBondContact O-N 2.86Å; I728-T788 HydrophobicContact CD1-CG2 3.44Å; I728-T788 VanDerWaalsContact CD1-CG2 3.44Å; G766-T788 CarbonylContact O-C 3.56Å; G766-T788 VanDerWaalsContact O-CA 3.26Å; G766-T788 WeakPolarHBondContact O-CA 3.38Å; T768-T788 HydrophobicContact CG2-CG2 4.15Å; T788-L792 HydrophobicContact CG2-CD1 4.06Å
789	N	89.1	Confident	90.1	Very high	128 Å²	128	29.2 Å²	29.2	68%	0.684	16%	0.158	S	C	*	.	S	Bend	trans	-93.7	-17.6	174.7	-72.5	-12	0	0	0	112.9	G766	G766-N789 PolarHBondContact O-N 3.2Å
790	E	90.8	Very high	89.8	Confident	52 Å²	52	29.5 Å²	29.5	24%	0.243	17%	0.167	C	C	.	.	S	Bend	trans	-133.7	162.5	178.7	76.1	-175.9	142.9	0	0	111	S744 Y750 G766 L792	S744-E790 PolarHBondContact OG-OE2 3.46Å; Y750-E790 VanDerWaalsContact CE2-OE1 3.28Å; Y750-E790 WeakPolarHBondContact CE2-OE1 3.49Å; Y750-E790 VanDerWaalsContact CZ-OE1 3.26Å; Y750-E790 PolarHBondContact OH-OE1 3.23Å; Y750-E790 PolarHBondContact OH-OE2 2.98Å; G766-E790 WeakPolarHBondContact CA-OE1 3.41Å; G766-E790 PolarHBondContact N-OE1 3.16Å; E790-L792 HydrophobicContact CG-CD2 3.83Å; E790-L792 HydrophobicContact CG-CG 4.37Å
791	T	92.3	Very high	89.3	Confident	37 Å²	37	37.7 Å²	37.7	23%	0.227	20%	0.202	C	C	.	.			trans	-79.6	126.6	174.4	-59.6	0	0	0	0	110.2	T720 V721 A723 L745	T720-T791 HydrophobicContact CG2-CG2 3.49Å; T720-T791 VanDerWaalsContact CG2-CG2 3.49Å; V721-T791 CarbonylContact O-C 3.57Å; V721-T791 WeakPolarHBondContact O-CA 3.43Å; A723-T791 PolarHBondContact N-OG1 3.03Å; L745-T791 HydrophobicContact CD1-CG2 3.78Å; L745-T791 HydrophobicContact CD2-CG2 4.33Å; L745-T791 HydrophobicContact CG-CG2 3.96Å
792	L	94.4	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.9	-177.5	-61.1	173.4	0	0	0	110.4	T720 V721 V742 Y750 F765 F770 T788 E790 F794	T720-L792 CarbonylContact C-O 3.56Å; T720-L792 WeakPolarHBondContact CA-O 3.37Å; V721-L792 PolarHBondContact N-O 3.44Å; V721-L792 PolarHBondContact O-N 2.79Å; V742-L792 HydrophobicContact CG1-CB 4.32Å; V742-L792 HydrophobicContact CG1-CD2 4.49Å; Y750-L792 HydrophobicContact CD2-CD2 4.08Å; Y750-L792 HydrophobicContact CE2-CD2 3.87Å; F765-L792 HydrophobicContact CD2-CD1 4.1Å; F765-L792 HydrophobicContact CD2-CD2 4.19Å; F765-L792 HydrophobicContact CE2-CD1 3.97Å; F770-L792 HydrophobicContact CE2-CD1 3.76Å; F770-L792 HydrophobicContact CZ-CD1 3.57Å; T788-L792 HydrophobicContact CG2-CD1 4.06Å; E790-L792 HydrophobicContact CG-CD2 3.83Å; E790-L792 HydrophobicContact CG-CG 4.37Å; L792-F794 HydrophobicContact CB-CE2 3.94Å
793	V	94.6	Very high	88.4	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.3	174.1	-173.1	0	0	0	0	107.9	T720 R743 L745 E795	T720-V793 HydrophobicContact CG2-CG2 4.19Å; R743-V793 HydrophobicContact CG-CB 4.1Å; R743-V793 PolarHBondContact N-O 3.31Å; R743-V793 PolarHBondContact O-N 2.72Å; L745-V793 HydrophobicContact CD2-CG2 4.02Å; V793-E795 HydrophobicContact CG1-CG 4.02Å
794	F	94.3	Very high	88.2	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.7	175	-66.3	-101.9	0	0	0	108.7	M718 V719 V721 I728 V730 A741 V742 F770 L782 L792	M718-F794 PolarHBondContact N-O 3.08Å; V719-F794 HydrophobicContact CG1-CB 3.74Å; V719-F794 HydrophobicContact CG1-CD2 4.11Å; V719-F794 HydrophobicContact CG1-CG 4.16Å; V719-F794 PolarHBondContact N-O 3.17Å; V719-F794 PolarHBondContact O-N 3.27Å; V721-F794 HydrophobicContact CB-CD2 4.4Å; V721-F794 HydrophobicContact CB-CE2 3.92Å; V721-F794 HydrophobicContact CG2-CD2 3.76Å; V721-F794 HydrophobicContact CG2-CE2 3.54Å; I728-F794 HydrophobicContact CG2-CE1 4.49Å; I728-F794 HydrophobicContact CG2-CE2 4.33Å; I728-F794 HydrophobicContact CG2-CZ 3.87Å; V730-F794 HydrophobicContact CG2-CD1 3.8Å; V730-F794 HydrophobicContact CG2-CE1 3.99Å; V730-F794 HydrophobicContact CG2-CG 4.27Å; A741-F794 WeakPolarHBondContact O-CA 3.42Å; V742-F794 HydrophobicContact CG1-CD1 4.49Å; V742-F794 HydrophobicContact CG1-CE1 4.33Å; V742-F794 HydrophobicContact CG1-CZ 4.42Å; V742-F794 HydrophobicContact CG2-CD1 3.58Å; V742-F794 HydrophobicContact CG2-CE1 3.66Å; V742-F794 HydrophobicContact CG2-CG 4.39Å; F770-F794 HydrophobicContact CE1-CE1 4.12Å; F770-F794 AromaticContact CE1-CZ 3.72Å; F770-F794 HydrophobicContact CE1-CZ 3.72Å; F770-F794 HydrophobicContact CZ-CZ 4.11Å; L782-F794 HydrophobicContact CD2-CD1 4.01Å; L782-F794 HydrophobicContact CD2-CE1 3.61Å; L782-F794 HydrophobicContact CG-CE1 4.48Å; L792-F794 HydrophobicContact CB-CE2 3.94Å
795	E	93.3	Very high	88.4	Confident	7 Å²	7	34.3 Å²	34.3	3%	0.033	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.6	-175.3	-48.3	-165.1	127.5	0	0	109.8	Y716 S717 M718 A741 R743 Y749 V793	Y716-E795 CarbonylContact O-C 3.57Å; Y716-E795 WeakPolarHBondContact O-CA 3.28Å; Y716-E795 WeakPolarHBondContact O-CB 3.29Å; S717-E795 PolarHBondContact OG-OE1 2.81Å; M718-E795 WeakPolarHBondContact CE-O 3.48Å; A741-E795 HydrophobicContact CB-CB 4.3Å; A741-E795 PolarHBondContact N-O 2.59Å; A741-E795 PolarHBondContact O-N 3.34Å; R743-E795 VanDerWaalsContact CD-OE2 3.22Å; R743-E795 WeakPolarHBondContact CD-OE2 3.38Å; R743-E795 IonicContact CZ-OE1 2.93Å; R743-E795 IonicContact NE-OE1 2.68Å; R743-E795 PolarHBondContact NE-OE1 3.47Å; R743-E795 IonicContact NE-OE2 3.4Å; R743-E795 PolarHBondContact NE-OE2 2.82Å; R743-E795 IonicContact NH2-OE1 3.82Å; R743-E795 PolarHBondContact NH2-OE1 3.02Å; Y749-E795 PolarHBondContact OH-OE2 3.5Å; V793-E795 HydrophobicContact CG1-CG 4.02Å
796	I	91.5	Very high	88.9	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.5	170.8	-178.4	162.9	0	0	0	108.6	Y706 Y715 Y716 M718 Y739 L798 V805	Y706-I796 HydrophobicContact CD1-CG2 4.32Å; Y706-I796 HydrophobicContact CE1-CG2 3.85Å; Y715-I796 WeakPolarHBondContact CA-O 3.38Å; Y716-I796 PolarHBondContact N-O 2.8Å; Y716-I796 PolarHBondContact O-N 3.41Å; M718-I796 HydrophobicContact CE-CB 3.91Å; M718-I796 HydrophobicContact CE-CG2 4.47Å; M718-I796 HydrophobicContact CG-CB 4.26Å; M718-I796 HydrophobicContact CG-CG2 3.79Å; M718-I796 HydrophobicContact SD-CB 3.67Å; M718-I796 HydrophobicContact SD-CG2 3.69Å; Y739-I796 CarbonylContact O-C 3.6Å; Y739-I796 WeakPolarHBondContact O-CA 3.34Å; I796-L798 PolarHBondContact O-N 3.02Å; I796-V805 HydrophobicContact CD1-CG2 3.82Å
797	L	89.9	Confident	89.6	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	101	165.6	176	60.4	0	0	0	107.6	Y715 S738 Y739 W755 Q799	Y715-L797 HydrophobicContact CD1-CB 4.05Å; Y715-L797 HydrophobicContact CD1-CD1 4.33Å; Y715-L797 HydrophobicContact CD2-CD1 4.14Å; Y715-L797 HydrophobicContact CE1-CB 3.85Å; Y715-L797 HydrophobicContact CE1-CD1 4.07Å; Y715-L797 HydrophobicContact CE1-CD2 4.3Å; Y715-L797 HydrophobicContact CE1-CG 4.29Å; Y715-L797 HydrophobicContact CE2-CD1 3.85Å; Y715-L797 HydrophobicContact CG-CD1 4.35Å; S738-L797 WeakPolarHBondContact CA-O 3.31Å; S738-L797 WeakPolarHBondContact CB-O 3.32Å; Y739-L797 HydrophobicContact CD2-CD2 4.33Å; Y739-L797 PolarHBondContact N-O 3.25Å; Y739-L797 PolarHBondContact O-N 3.18Å; W755-L797 HydrophobicContact CE3-CD1 4Å; W755-L797 HydrophobicContact CZ3-CD1 3.79Å; L797-Q799 PolarHBondContact O-N 2.97Å
798	L	87.3	Confident	90	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.197	C	C	.	.			trans	-76.4	120.1	-175.6	-166.3	78	0	0	0	110.3	H710 N713 E714 Y716 I796 N802	H710-L798 HydrophobicContact CB-CD2 3.9Å; H710-L798 WeakPolarHBondContact O-CD2 3.25Å; N713-L798 WeakPolarHBondContact CA-O 3.44Å; N713-L798 WeakPolarHBondContact CB-O 3.33Å; N713-L798 PolarHBondContact OD1-O 3.26Å; E714-L798 PolarHBondContact O-N 3.32Å; Y716-L798 HydrophobicContact CD2-CB 4.14Å; Y716-L798 HydrophobicContact CE2-CB 4.18Å; Y716-L798 HydrophobicContact CE2-CD2 4.33Å; I796-L798 PolarHBondContact O-N 3.02Å; L798-N802 HydrophobicContact CD1-CB 3.69Å
799	Q	82.8	Confident	90.1	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.374	20%	0.201	S	C	.	.			trans	-125.8	95.1	165.9	-68.1	-172.5	-0.4	0	0	107.2	T737 S738 L797	T737-Q799 WeakPolarHBondContact CB-O 3.29Å; T737-Q799 WeakPolarHBondContact O-CB 3.01Å; T737-Q799 PolarHBondContact OG1-O 3.02Å; S738-Q799 PolarHBondContact OG-N 3.43Å; L797-Q799 PolarHBondContact O-N 2.97Å
800	G	81.7	Confident	90.3	Very high	39 Å²	39	32.7 Å²	32.7	40%	0.402	17%	0.169	S	C	.	.	S	Bend	trans	96.9	-140.9	-179.2	0	0	0	0	0	114.5	Q709	Q709-G800 PolarHBondContact NE2-O 3.35Å; Q709-G800 VanDerWaalsContact NE2-O 3.11Å
801	K	82.1	Confident	90.2	Very high	177 Å²	177	31.9 Å²	31.9	77%	0.77	17%	0.166	S	C	*	.			trans	-87.6	137.3	-178.2	-70.5	-175.3	-179.9	178.7	0	110.6	P803	K801-P803 VanDerWaalsContact O-CD 3.3Å; K801-P803 WeakPolarHBondContact O-CD 3.48Å
802	N	85.4	Confident	89.8	Confident	14 Å²	14	33.9 Å²	33.9	8%	0.075	18%	0.18	C	C	.	.			trans	-88.7	108.8	173.6	-179.7	15.2	0	0	0	109	Y706 L708 L798 G804	Y706-N802 PolarHBondContact O-ND2 3.07Å; L708-N802 PolarHBondContact O-ND2 2.98Å; L708-N802 VanDerWaalsContact O-ND2 3.11Å; L798-N802 HydrophobicContact CD1-CB 3.69Å; N802-G804 PolarHBondContact O-N 3.29Å; N802-G804 WeakPolarHBondContact OD1-CA 3.2Å; N802-G804 PolarHBondContact OD1-N 3.34Å
803	P	83.1	Confident	89	Confident	42 Å²	42	41.2 Å²	41.2	27%	0.273	21%	0.208	S	C	.	.			trans	-71.5	-15.9	174.3	29.9	-34	0	0	0	112.7	E732 E734 S736 K801	E732-P803 HydrophobicContact CG-CG 4.05Å; E734-P803 HydrophobicContact CB-CB 3.75Å; E734-P803 HydrophobicContact CB-CG 4.19Å; E734-P803 HydrophobicContact CG-CB 4.27Å; E734-P803 WeakPolarHBondContact O-CG 3.47Å; S736-P803 VanDerWaalsContact CB-CD 3.48Å; K801-P803 VanDerWaalsContact O-CD 3.3Å; K801-P803 WeakPolarHBondContact O-CD 3.48Å
804	G	89.1	Confident	87.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.			trans	119	143.2	-179.1	0	0	0	0	0	111.9	Y706 M733 N802	Y706-G804 WeakPolarHBondContact O-CA 3.47Å; M733-G804 WeakPolarHBondContact CB-O 3.16Å; M733-G804 WeakPolarHBondContact CG-O 3.42Å; M733-G804 PolarHBondContact N-O 3.14Å; N802-G804 PolarHBondContact O-N 3.29Å; N802-G804 WeakPolarHBondContact OD1-CA 3.2Å; N802-G804 PolarHBondContact OD1-N 3.34Å
805	V	92.6	Very high	85.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.2	174.6	-178.6	0	0	0	0	109.5	Q705 Y706 M718 V730 E732 L740 I796	Q705-V805 CarbonylContact C-O 3.56Å; Q705-V805 VanDerWaalsContact CA-O 3.3Å; Q705-V805 WeakPolarHBondContact CA-O 3.2Å; Y706-V805 PolarHBondContact N-O 2.85Å; Y706-V805 PolarHBondContact O-N 2.92Å; M718-V805 HydrophobicContact CE-CB 4.43Å; M718-V805 HydrophobicContact CE-CG1 3.98Å; M718-V805 HydrophobicContact CE-CG2 4.45Å; M718-V805 HydrophobicContact SD-CB 3.69Å; M718-V805 HydrophobicContact SD-CG1 3.88Å; M718-V805 HydrophobicContact SD-CG2 3.76Å; V730-V805 HydrophobicContact CG1-CG1 3.68Å; E732-V805 HydrophobicContact CG-CG2 4.49Å; L740-V805 HydrophobicContact CD2-CG1 4.04Å; L740-V805 HydrophobicContact CD2-CG2 4.33Å; I796-V805 HydrophobicContact CD1-CG2 3.82Å
806	V	94.9	Very high	83.1	Confident	62 Å²	62	63.6 Å²	63.6	38%	0.376	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.5	176	-148.8	0	0	0	0	108.9	G704 V730 Q731 M733	G704-V806 WeakPolarHBondContact O-CG1 3.47Å; V730-V806 WeakPolarHBondContact CA-O 3.3Å; Q731-V806 PolarHBondContact N-O 2.94Å; Q731-V806 PolarHBondContact O-N 3.28Å; M733-V806 HydrophobicContact CG-CG2 3.33Å; M733-V806 HydrophobicContact SD-CG2 3.99Å
807	W	95	Very high	81.2	Confident	43 Å²	43	72.9 Å²	72.9	16%	0.163	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.4	176.6	54.9	-97.3	0	0	0	111.4	F702 K703 G704 V719 H729 V730 Y809	F702-W807 HydrophobicContact CB-CZ3 4.32Å; K703-W807 CarbonylContact C-O 3.45Å; K703-W807 VanDerWaalsContact CA-O 3.28Å; K703-W807 WeakPolarHBondContact CA-O 3.2Å; G704-W807 PolarHBondContact N-O 3.36Å; G704-W807 PolarHBondContact O-N 3.1Å; V719-W807 HydrophobicContact CB-CD2 3.92Å; V719-W807 HydrophobicContact CB-CE3 4.46Å; V719-W807 HydrophobicContact CB-CG 4.12Å; V719-W807 HydrophobicContact CB-CZ2 4.26Å; V719-W807 HydrophobicContact CG1-CB 4.26Å; V719-W807 HydrophobicContact CG1-CD2 4.13Å; V719-W807 HydrophobicContact CG1-CG 3.9Å; V719-W807 HydrophobicContact CG2-CD2 3.76Å; V719-W807 HydrophobicContact CG2-CE3 3.81Å; V719-W807 HydrophobicContact CG2-CG 4.42Å; V719-W807 HydrophobicContact CG2-CH2 3.99Å; V719-W807 HydrophobicContact CG2-CZ2 3.92Å; V719-W807 HydrophobicContact CG2-CZ3 3.93Å; H729-W807 CarbonylContact O-C 3.55Å; H729-W807 VanDerWaalsContact O-CA 3.24Å; H729-W807 WeakPolarHBondContact O-CA 3.26Å; V730-W807 HydrophobicContact CG1-CB 4.39Å; V730-W807 HydrophobicContact CG2-CB 4Å; W807-Y809 AromaticContact CE3-CD1 3.97Å; W807-Y809 HydrophobicContact CE3-CD1 3.97Å; W807-Y809 AromaticContact CE3-CE1 3.9Å; W807-Y809 HydrophobicContact CE3-CE1 3.9Å; W807-Y809 HydrophobicContact CH2-CE1 4.46Å; W807-Y809 HydrophobicContact CZ3-CD1 4Å; W807-Y809 AromaticContact CZ3-CE1 3.53Å; W807-Y809 HydrophobicContact CZ3-CE1 3.53Å
808	E	94.8	Very high	79.8	Confident	95 Å²	95	75 Å²	75	44%	0.444	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.9	173.1	60.6	176.9	-167.8	0	0	111.5	F702 K703 I728 H729	F702-E808 CarbonylContact O-C 3.57Å; F702-E808 VanDerWaalsContact O-CA 3.23Å; F702-E808 WeakPolarHBondContact O-CA 3.03Å; K703-E808 HydrophobicContact CB-CB 4.22Å; I728-E808 WeakPolarHBondContact CA-O 3.07Å; H729-E808 HydrophobicContact CB-CG 3.72Å; H729-E808 PolarHBondContact N-O 2.91Å; H729-E808 PolarHBondContact O-N 3.35Å
809	Y	93.8	Very high	78.8	Confident	24 Å²	24	80.9 Å²	80.9	9%	0.094	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.5	170.4	65.7	-88.5	0	0	0	110.5	F702 V719 V721 A725 W807 L811	F702-Y809 HydrophobicContact CB-CD1 4.13Å; F702-Y809 HydrophobicContact CB-CD2 4.15Å; F702-Y809 HydrophobicContact CB-CE1 3.74Å; F702-Y809 HydrophobicContact CB-CE2 3.74Å; F702-Y809 HydrophobicContact CB-CG 4.33Å; F702-Y809 HydrophobicContact CD2-CD2 4.27Å; F702-Y809 AromaticContact CD2-CE2 3.76Å; F702-Y809 HydrophobicContact CD2-CE2 3.76Å; F702-Y809 AromaticContact CG-CE2 3.82Å; F702-Y809 HydrophobicContact CG-CE2 3.82Å; F702-Y809 AromaticContact CG-CZ 3.84Å; F702-Y809 PolarHBondContact N-O 2.94Å; F702-Y809 PolarHBondContact O-N 3.34Å; F702-Y809 VanDerWaalsContact O-O 3.11Å; V719-Y809 HydrophobicContact CG2-CE1 4.02Å; V721-Y809 HydrophobicContact CG1-CD2 4.25Å; V721-Y809 HydrophobicContact CG1-CG 4.2Å; V721-Y809 HydrophobicContact CG2-CD1 3.92Å; V721-Y809 HydrophobicContact CG2-CE1 4.1Å; V721-Y809 HydrophobicContact CG2-CG 4.39Å; A725-Y809 HydrophobicContact CB-CD2 4.06Å; W807-Y809 AromaticContact CE3-CD1 3.97Å; W807-Y809 HydrophobicContact CE3-CD1 3.97Å; W807-Y809 AromaticContact CE3-CE1 3.9Å; W807-Y809 HydrophobicContact CE3-CE1 3.9Å; W807-Y809 HydrophobicContact CH2-CE1 4.46Å; W807-Y809 HydrophobicContact CZ3-CD1 4Å; W807-Y809 AromaticContact CZ3-CE1 3.53Å; W807-Y809 HydrophobicContact CZ3-CE1 3.53Å; Y809-L811 HydrophobicContact CD2-CG 4.18Å; Y809-L811 HydrophobicContact CE2-CD1 3.96Å; Y809-L811 HydrophobicContact CE2-CG 3.9Å
810	T	91.9	Very high	78.7	Confident	4 Å²	4	80.6 Å²	80.6	3%	0.025	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.6	177	64.5	0	0	0	0	111.7	A688 K700 F701 A725 R726	A688-T810 HydrophobicContact CB-CG2 4.22Å; A688-T810 PolarHBondContact O-OG1 2.85Å; K700-T810 WeakPolarHBondContact O-CA 3.4Å; F701-T810 HydrophobicContact CD1-CG2 3.56Å; F701-T810 HydrophobicContact CE1-CG2 3.6Å; F701-T810 HydrophobicContact CG-CG2 4.05Å; F701-T810 HydrophobicContact CZ-CG2 4.1Å; A725-T810 CarbonylContact C-O 3.44Å; A725-T810 VanDerWaalsContact CA-O 3.28Å; A725-T810 WeakPolarHBondContact CA-O 3.37Å; R726-T810 WeakPolarHBondContact CB-OG1 3.39Å; R726-T810 PolarHBondContact N-O 2.55Å; R726-T810 PolarHBondContact O-N 3.07Å; R726-T810 PolarHBondContact O-OG1 3.14Å
811	L	90.1	Very high	78.7	Confident	34 Å²	34	80 Å²	80	18%	0.178	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.2	169.2	-68.7	171.9	0	0	0	110.9	C699 K700 F702 P722 A725 Y809 R813	C699-L811 CarbonylContact C-O 3.54Å; C699-L811 WeakPolarHBondContact CA-O 3.24Å; C699-L811 VanDerWaalsContact CB-O 3.22Å; C699-L811 WeakPolarHBondContact CB-O 3.43Å; K700-L811 PolarHBondContact N-O 2.9Å; K700-L811 PolarHBondContact O-N 3.42Å; F702-L811 HydrophobicContact CD2-CD1 4.29Å; F702-L811 HydrophobicContact CD2-CG 4.35Å; F702-L811 HydrophobicContact CE2-CB 3.98Å; F702-L811 HydrophobicContact CE2-CD1 3.79Å; F702-L811 HydrophobicContact CE2-CG 4.08Å; F702-L811 HydrophobicContact CZ-CD1 4.23Å; P722-L811 HydrophobicContact CG-CD1 3.64Å; P722-L811 HydrophobicContact CG-CD2 3.85Å; P722-L811 HydrophobicContact CG-CG 4.32Å; A725-L811 HydrophobicContact CB-CD2 3.83Å; Y809-L811 HydrophobicContact CD2-CG 4.18Å; Y809-L811 HydrophobicContact CE2-CD1 3.96Å; Y809-L811 HydrophobicContact CE2-CG 3.9Å; L811-R813 PolarHBondContact O-N 3.42Å
812	P	84.3	Confident	78.8	Confident	79 Å²	79	73.5 Å²	73.5	51%	0.513	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	138.6	174.8	23.4	-31.5	0	0	0	110.5	G724 T814	G724-P812 WeakPolarHBondContact O-CD 3.48Å; P812-T814 PolarHBondContact O-N 2.77Å
813	R	75.9	Confident	78.6	Confident	155 Å²	155	73.4 Å²	73.4	59%	0.585	36%	0.359	S	S	*	.			trans	-66	108.9	173.4	-74.3	178.7	109.1	-140.8	9.4	108.4	S697 T698 L811 E815	S697-R813 WeakPolarHBondContact O-CD 3.25Å; T698-R813 PolarHBondContact O-N 2.63Å; L811-R813 PolarHBondContact O-N 3.42Å; R813-E815 VanDerWaalsContact C-N 3.29Å; R813-E815 IonicContact NH1-OE1 3.92Å; R813-E815 PolarHBondContact O-N 2.82Å; R813-E815 VanDerWaalsContact O-N 3.1Å
814	T	62	Low	78.6	Confident	133 Å²	133	75 Å²	75	82%	0.816	37%	0.368	S	S	*	.			trans	-77	87.8	160.6	41.6	0	0	0	0	107.4	P812 K816	P812-T814 PolarHBondContact O-N 2.77Å; T814-K816 PolarHBondContact O-N 2.77Å
815	E	49.4	Very low	78.3	Confident	149 Å²	149	78.7 Å²	78.7	70%	0.696	39%	0.39	S	S	*	.			trans	-59.1	109.2	161.4	-69.5	-169.6	170.4	0	0	106.6	R813 K817	R813-E815 VanDerWaalsContact C-N 3.29Å; R813-E815 IonicContact NH1-OE1 3.92Å; R813-E815 PolarHBondContact O-N 2.82Å; R813-E815 VanDerWaalsContact O-N 3.1Å; E815-K817 VanDerWaalsContact C-N 3.33Å; E815-K817 PolarHBondContact O-N 2.86Å
816	K	48.7	Very low	77.7	Confident	201 Å²	201	87.2 Å²	87.2	87%	0.874	42%	0.422	S	S	*	.			trans	-54.8	107.7	163.3	-89.8	-174	173.6	-176	0	105.3	T814 P818	T814-K816 PolarHBondContact O-N 2.77Å; K816-P818 WeakPolarHBondContact O-CD 3.05Å
817	K	51.4	Low	77	Confident	195 Å²	195	86.4 Å²	86.4	85%	0.848	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-55.9	125.4	172.9	-76.9	-176.4	176.6	-179.5	0	106.9	E815 E819	E815-K817 VanDerWaalsContact C-N 3.33Å; E815-K817 PolarHBondContact O-N 2.86Å; K817-E819 PolarHBondContact O-N 3.02Å
818	P	58.6	Low	76.4	Confident	46 Å²	46	91.6 Å²	91.6	30%	0.299	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-56.8	134.8	174.7	17.6	-26.8	0	0	0	109.4	K816 Y820 Q846	K816-P818 WeakPolarHBondContact O-CD 3.05Å; P818-Y820 HydrophobicContact CB-CE2 4.17Å; P818-Y820 HydrophobicContact CG-CE2 3.79Å; P818-Y820 WeakPolarHBondContact CG-OH 3.31Å; P818-Y820 VanDerWaalsContact O-CD2 3.28Å; P818-Y820 WeakPolarHBondContact O-CD2 3.29Å; P818-Y820 WeakPolarHBondContact O-CE2 3.33Å; P818-Q846 HydrophobicContact CB-CG 3.88Å
819	E	67.5	Low	75.7	Confident	127 Å²	127	88.9 Å²	88.9	59%	0.593	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-84.6	118	-178.1	-171.8	172.9	178.6	0	0	108.8	K817 D847	K817-E819 PolarHBondContact O-N 3.02Å; E819-D847 PolarHBondContact N-OD1 2.98Å; E819-D847 VanDerWaalsContact N-OD1 3.11Å; E819-D847 PolarHBondContact O-N 2.95Å
820	Y	79.6	Confident	75.2	Confident	73 Å²	73	92.1 Å²	92.1	29%	0.286	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.6	-179.6	-63.4	-78.5	0	0	0	110.2	P818 L845 Q846 A852 M856	P818-Y820 HydrophobicContact CB-CE2 4.17Å; P818-Y820 HydrophobicContact CG-CE2 3.79Å; P818-Y820 WeakPolarHBondContact CG-OH 3.31Å; P818-Y820 VanDerWaalsContact O-CD2 3.28Å; P818-Y820 WeakPolarHBondContact O-CD2 3.29Å; P818-Y820 WeakPolarHBondContact O-CE2 3.33Å; Y820-L845 WeakPolarHBondContact CA-O 3.14Å; Y820-Q846 HydrophobicContact CD1-CB 4.01Å; Y820-Q846 HydrophobicContact CE1-CB 3.75Å; Y820-Q846 HydrophobicContact CE1-CG 3.97Å; Y820-A852 HydrophobicContact CD1-CB 4.11Å; Y820-A852 HydrophobicContact CE1-CB 3.96Å; Y820-M856 WeakPolarHBondContact CB-O 3.35Å; Y820-M856 HydrophobicContact CD1-CB 3.81Å; Y820-M856 HydrophobicContact CD2-CB 4.37Å; Y820-M856 HydrophobicContact CE1-CB 3.96Å; Y820-M856 HydrophobicContact CE1-CG 4.47Å; Y820-M856 HydrophobicContact CG-CB 4.03Å
821	S	81.5	Confident	74.6	Confident	27 Å²	27	93 Å²	93	19%	0.189	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.1	-179.5	60.5	0	0	0	0	112	L845 H848 C857	S821-L845 PolarHBondContact N-O 2.99Å; S821-L845 PolarHBondContact O-N 3.25Å; S821-H848 PolarHBondContact OG-CE1 2.99Å; S821-H848 PolarHBondContact OG-ND1 2.89Å; S821-C857 VanDerWaalsContact C-SG 3.56Å; S821-C857 PolarHBondContact O-SG 3.09Å; S821-C857 VanDerWaalsContact O-SG 3.38Å
822	W	84.9	Confident	74	Confident	40 Å²	40	96.7 Å²	96.7	15%	0.152	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.2	177.3	-70.4	106.1	0	0	0	111.3	A842 C844 C857 N858 T861 R862 P863	W822-A842 HydrophobicContact CE3-CB 3.89Å; W822-A842 HydrophobicContact CZ3-CB 4.18Å; W822-C844 HydrophobicContact CZ3-CB 4.46Å; W822-C857 HydrophobicContact CD2-CB 3.92Å; W822-C857 HydrophobicContact CE3-CB 4.46Å; W822-C857 HydrophobicContact CG-CB 4.35Å; W822-C857 HydrophobicContact CH2-CB 4.27Å; W822-C857 HydrophobicContact CZ2-CB 3.7Å; W822-N858 PolarHBondContact NE1-O 3.42Å; W822-T861 VanDerWaalsContact CD1-O 3.29Å; W822-R862 HydrophobicContact CD2-CB 4.37Å; W822-R862 HydrophobicContact CD2-CG 4.21Å; W822-R862 HydrophobicContact CE3-CG 4.35Å; W822-R862 HydrophobicContact CH2-CG 4.2Å; W822-R862 HydrophobicContact CZ2-CB 4.04Å; W822-R862 HydrophobicContact CZ2-CG 4.05Å; W822-R862 HydrophobicContact CZ3-CG 4.34Å; W822-P863 HydrophobicContact CB-CG 3.93Å
823	G	82.1	Confident	73.8	Confident	13 Å²	13	94.1 Å²	94.1	13%	0.134	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	155.1	166.3	0	0	0	0	0	111.8	A842 I843	G823-A842 CarbonylContact O-C 3.52Å; G823-A842 WeakPolarHBondContact O-CA 3.36Å; G823-I843 PolarHBondContact N-O 2.86Å; G823-I843 PolarHBondContact O-N 2.83Å
824	V	83.3	Confident	73.8	Confident	76 Å²	76	87.2 Å²	87.2	46%	0.461	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.4	176.4	-177.9	0	0	0	0	109.5	P863 L865	V824-P863 HydrophobicContact CG2-CB 4.01Å; V824-P863 HydrophobicContact CG2-CG 3.97Å; V824-L865 HydrophobicContact CG1-CD2 4.24Å
825	V	81.4	Confident	74.5	Confident	76 Å²	76	82.1 Å²	82.1	46%	0.461	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.7	174.9	179.8	0	0	0	0	109	S840 K841 I843	V825-S840 CarbonylContact O-C 3.57Å; V825-S840 WeakPolarHBondContact O-CA 3.26Å; V825-K841 PolarHBondContact N-O 3.36Å; V825-K841 PolarHBondContact O-N 3.16Å; V825-I843 HydrophobicContact CG2-CD1 3.44Å; V825-I843 VanDerWaalsContact CG2-CD1 3.44Å; V825-I843 HydrophobicContact CG2-CG1 3.86Å
826	R	81.6	Confident	75.9	Confident	180 Å²	180	75.1 Å²	75.1	68%	0.679	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.4	177.8	-60.5	-178.9	177.9	172.9	-0.1	109.7	I838	R826-I838 HydrophobicContact CB-CD1 3.86Å; R826-I838 HydrophobicContact CB-CG1 4.11Å
827	S	79.8	Confident	77.4	Confident	45 Å²	45	73.2 Å²	73.2	32%	0.315	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-75	169.9	171.3	44.9	0	0	0	0	111.7	I838 S839	S827-I838 WeakPolarHBondContact O-CD1 3.45Å; S827-I838 WeakPolarHBondContact O-CG1 3.23Å; S827-S839 PolarHBondContact N-O 3.09Å; S827-S839 WeakPolarHBondContact OG-CA 3.47Å; S827-S839 PolarHBondContact OG-N 2.57Å; S827-S839 PolarHBondContact OG-O 2.98Å; S827-S839 PolarHBondContact OG-OG 3.46Å
828	D	81.1	Confident	78.8	Confident	152 Å²	152	65.8 Å²	65.8	81%	0.813	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-70.1	158.3	165.6	-64.4	-48.2	0	0	0	111.1	S830	D828-S830 PolarHBondContact O-N 3.1Å
829	C	81.3	Confident	79.6	Confident	37 Å²	37	67 Å²	67	25%	0.25	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-66.5	128.1	179.1	-170.5	0	0	0	0	110.6	A831 C870 N871	C829-A831 PolarHBondContact O-N 3.15Å; C829-A831 PolarHBondContact SG-O 3.02Å; C829-C870 VanDerWaalsContact CA-SG 3.51Å; C829-C870 HydrophobicContact CB-CB 3.92Å; C829-C870 WeakPolarHBondContact CB-SG 2.99Å; C829-C870 WeakPolarHBondContact SG-CB 3.43Å; C829-C870 CovalentContact SG-SG 2.02Å; C829-C870 PolarHBondContact SG-SG 2.95Å; C829-N871 WeakPolarHBondContact CB-ND2 3.3Å; C829-N871 PolarHBondContact SG-ND2 3.33Å
830	S	81.9	Confident	80.4	Confident	93 Å²	93	61.9 Å²	61.9	65%	0.65	35%	0.347	S	S	*	.	S	Bend	trans	-63.2	-15.6	-175	72.6	0	0	0	0	115.4	D828 G836 R837	D828-S830 PolarHBondContact O-N 3.1Å; S830-G836 WeakPolarHBondContact OG-CA 3.08Å; S830-R837 WeakPolarHBondContact CB-O 3.49Å; S830-R837 PolarHBondContact N-O 3.49Å; S830-R837 VanDerWaalsContact N-O 3.15Å; S830-R837 PolarHBondContact OG-N 3.39Å
831	A	79.7	Confident	80.5	Confident	21 Å²	21	65.2 Å²	65.2	17%	0.174	36%	0.363	C	S	.	.			trans	-143.3	140.8	176.7	0	0	0	0	0	110.3	C829 C833 N871	C829-A831 PolarHBondContact O-N 3.15Å; C829-A831 PolarHBondContact SG-O 3.02Å; A831-C833 VanDerWaalsContact C-N 3.32Å; A831-C833 PolarHBondContact O-N 3.17Å; A831-N871 WeakPolarHBondContact O-CB 3.23Å; A831-N871 PolarHBondContact O-ND2 3.47Å
832	P	78.4	Confident	80.5	Confident	112 Å²	112	64.3 Å²	64.3	73%	0.727	36%	0.357	S	S	*	.	S	Bend	trans	-74.5	-19.1	-179.9	29.1	-34.5	0	0	0	113.7
833	C	80.1	Confident	80.6	Confident	26 Å²	26	63.5 Å²	63.5	18%	0.176	36%	0.355	C	S	.	.	S	Bend	trans	-161.6	170.5	178.9	53.5	0	0	0	0	110.7	A831 G835 N871 C875	A831-C833 VanDerWaalsContact C-N 3.32Å; A831-C833 PolarHBondContact O-N 3.17Å; C833-G835 VanDerWaalsContact C-N 3.26Å; C833-G835 PolarHBondContact O-N 3.3Å; C833-N871 CarbonylContact C-O 3.51Å; C833-C875 VanDerWaalsContact C-SG 3.59Å; C833-C875 HydrophobicContact CB-CB 3.93Å; C833-C875 WeakPolarHBondContact CB-SG 3.34Å; C833-C875 WeakPolarHBondContact SG-CA 3.27Å; C833-C875 WeakPolarHBondContact SG-CB 3.47Å; C833-C875 CovalentContact SG-SG 2.03Å; C833-C875 PolarHBondContact SG-SG 3.43Å
834	A	76.4	Confident	80.8	Confident	9 Å²	9	63 Å²	63	7%	0.074	35%	0.349	C	S	.	.	S	Bend	trans	62.3	24.2	-179.8	0	0	0	0	0	115.6	N871 Q873 K905 Y908	A834-N871 PolarHBondContact N-O 3.44Å; A834-Q873 WeakPolarHBondContact CA-O 3.34Å; A834-Q873 PolarHBondContact N-O 3.33Å; A834-K905 HydrophobicContact CB-CG 3.99Å; A834-Y908 PolarHBondContact O-N 2.89Å
835	G	76.3	Confident	80.9	Confident	27 Å²	27	60.8 Å²	60.8	28%	0.278	34%	0.335	S	S	.	.			trans	90.7	103.3	174.9	0	0	0	0	0	113.8	C833 N871	C833-G835 VanDerWaalsContact C-N 3.26Å; C833-G835 PolarHBondContact O-N 3.3Å; G835-N871 WeakPolarHBondContact CA-O 3.3Å; G835-N871 PolarHBondContact N-O 2.79Å
836	G	78	Confident	80.8	Confident	2 Å²	2	60.1 Å²	60.1	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	174.7	166.8	0	0	0	0	0	112.3	S830 L869 C870	S830-G836 WeakPolarHBondContact OG-CA 3.08Å; G836-L869 WeakPolarHBondContact O-CA 3.02Å; G836-C870 PolarHBondContact N-O 3.16Å; G836-C870 PolarHBondContact O-N 3.45Å
837	R	81.1	Confident	80.5	Confident	161 Å²	161	55.6 Å²	55.6	61%	0.608	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.6	174.1	-73.8	-178.4	169.7	-175	-3.4	110.3	S830 H868 L869 C870	S830-R837 WeakPolarHBondContact CB-O 3.49Å; S830-R837 PolarHBondContact N-O 3.49Å; S830-R837 VanDerWaalsContact N-O 3.15Å; S830-R837 PolarHBondContact OG-N 3.39Å; R837-H868 WeakPolarHBondContact CA-O 3.44Å; R837-L869 HydrophobicContact CG-CD2 4.28Å; R837-C870 VanDerWaalsContact C-SG 3.51Å
838	I	79.6	Confident	80.2	Confident	38 Å²	38	59.1 Å²	59.1	20%	0.195	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.2	167.9	-168	159.9	0	0	0	108.4	R826 S827 S867 H868	R826-I838 HydrophobicContact CB-CD1 3.86Å; R826-I838 HydrophobicContact CB-CG1 4.11Å; S827-I838 WeakPolarHBondContact O-CD1 3.45Å; S827-I838 WeakPolarHBondContact O-CG1 3.23Å; I838-S867 WeakPolarHBondContact O-CA 3.45Å; I838-H868 HydrophobicContact CG2-CB 3.78Å; I838-H868 PolarHBondContact N-O 3.12Å; I838-H868 PolarHBondContact O-N 2.87Å
839	S	77.1	Confident	79.7	Confident	72 Å²	72	62.6 Å²	62.6	50%	0.503	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.8	175.1	68.8	0	0	0	0	110	S827	S827-S839 PolarHBondContact N-O 3.09Å; S827-S839 WeakPolarHBondContact OG-CA 3.47Å; S827-S839 PolarHBondContact OG-N 2.57Å; S827-S839 PolarHBondContact OG-O 2.98Å; S827-S839 PolarHBondContact OG-OG 3.46Å
840	S	82.7	Confident	79.6	Confident	20 Å²	20	64.5 Å²	64.5	14%	0.14	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136	175.3	-55.6	0	0	0	0	109.5	V825	V825-S840 CarbonylContact O-C 3.57Å; V825-S840 WeakPolarHBondContact O-CA 3.26Å
841	K	81.8	Confident	79.6	Confident	143 Å²	143	66.9 Å²	66.9	62%	0.622	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.5	175.7	-172.8	176.9	179.3	-179.2	0	110.3	V825	V825-K841 PolarHBondContact N-O 3.36Å; V825-K841 PolarHBondContact O-N 3.16Å
842	A	82.8	Confident	79.7	Confident	7 Å²	7	67 Å²	67	6%	0.058	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128	171.4	0	0	0	0	0	110	W822 G823 R862 L865	W822-A842 HydrophobicContact CE3-CB 3.89Å; W822-A842 HydrophobicContact CZ3-CB 4.18Å; G823-A842 CarbonylContact O-C 3.52Å; G823-A842 WeakPolarHBondContact O-CA 3.36Å; A842-R862 HydrophobicContact CB-CG 4.27Å; A842-L865 HydrophobicContact CB-CD1 4.08Å; A842-L865 HydrophobicContact CB-CD2 4.08Å; A842-L865 HydrophobicContact CB-CG 4.43Å
843	I	86.8	Confident	79.9	Confident	24 Å²	24	66.6 Å²	66.6	12%	0.123	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148	172.9	61.2	165.9	0	0	0	109.6	G823 V825 L845 Q851	G823-I843 PolarHBondContact N-O 2.86Å; G823-I843 PolarHBondContact O-N 2.83Å; V825-I843 HydrophobicContact CG2-CD1 3.44Å; V825-I843 VanDerWaalsContact CG2-CD1 3.44Å; V825-I843 HydrophobicContact CG2-CG1 3.86Å; I843-L845 HydrophobicContact CD1-CD2 3.78Å; I843-L845 HydrophobicContact CD1-CG 4.27Å; I843-L845 HydrophobicContact CG1-CD2 4.36Å; I843-L845 HydrophobicContact CG1-CG 4.34Å; I843-Q851 HydrophobicContact CB-CG 4.36Å; I843-Q851 HydrophobicContact CD1-CG 4.43Å
844	C	86.5	Confident	79.7	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.7	173.7	-176.9	0	0	0	0	108.9	W822 Q851 A852 C857	W822-C844 HydrophobicContact CZ3-CB 4.46Å; C844-Q851 WeakPolarHBondContact O-CA 3.34Å; C844-A852 PolarHBondContact O-N 3.28Å; C844-C857 WeakPolarHBondContact CA-SG 3.46Å; C844-C857 HydrophobicContact CB-CB 3.8Å; C844-C857 WeakPolarHBondContact CB-SG 3.28Å; C844-C857 WeakPolarHBondContact SG-CB 3.09Å; C844-C857 PolarHBondContact SG-N 3.22Å; C844-C857 VanDerWaalsContact SG-N 3.36Å; C844-C857 CovalentContact SG-SG 2.03Å; C844-C857 PolarHBondContact SG-SG 2.96Å
845	L	84.2	Confident	79.9	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.1	179.7	-67	171	0	0	0	110.2	Y820 S821 I843 T850	Y820-L845 WeakPolarHBondContact CA-O 3.14Å; S821-L845 PolarHBondContact N-O 2.99Å; S821-L845 PolarHBondContact O-N 3.25Å; I843-L845 HydrophobicContact CD1-CD2 3.78Å; I843-L845 HydrophobicContact CD1-CG 4.27Å; I843-L845 HydrophobicContact CG1-CD2 4.36Å; I843-L845 HydrophobicContact CG1-CG 4.34Å; L845-T850 CarbonylContact C-O 3.53Å; L845-T850 VanDerWaalsContact CA-O 3.26Å; L845-T850 WeakPolarHBondContact CA-O 3.36Å
846	Q	80.4	Confident	79.9	Confident	63 Å²	63	76.2 Å²	76.2	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.2	167.8	174.7	171.2	-1.1	0	0	109.1	P818 Y820 H848 R849 T850 A852	P818-Q846 HydrophobicContact CB-CG 3.88Å; Y820-Q846 HydrophobicContact CD1-CB 4.01Å; Y820-Q846 HydrophobicContact CE1-CB 3.75Å; Y820-Q846 HydrophobicContact CE1-CG 3.97Å; Q846-H848 PolarHBondContact O-N 3.39Å; Q846-H848 VanDerWaalsContact O-N 3.14Å; Q846-R849 PolarHBondContact O-N 3.19Å; Q846-R849 VanDerWaalsContact O-N 3.08Å; Q846-T850 WeakPolarHBondContact CB-OG1 3.36Å; Q846-T850 PolarHBondContact N-O 2.98Å; Q846-T850 PolarHBondContact O-N 3.31Å; Q846-T850 PolarHBondContact O-OG1 3.47Å; Q846-A852 HydrophobicContact CB-CB 4.21Å
847	D	75.4	Confident	80	Confident	84 Å²	84	76.2 Å²	76.2	45%	0.449	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	35.9	-178.3	-54.2	-43.4	0	0	0	112.8	E819 R849	E819-D847 PolarHBondContact N-OD1 2.98Å; E819-D847 VanDerWaalsContact N-OD1 3.11Å; E819-D847 PolarHBondContact O-N 2.95Å; D847-R849 PolarHBondContact O-N 3.29Å
848	H	73.4	Confident	80	Confident	119 Å²	119	72.5 Å²	72.5	55%	0.551	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	8.7	-176.6	-56.8	-73.7	0	0	0	116.6	S821 Q846	S821-H848 PolarHBondContact OG-CE1 2.99Å; S821-H848 PolarHBondContact OG-ND1 2.89Å; Q846-H848 PolarHBondContact O-N 3.39Å; Q846-H848 VanDerWaalsContact O-N 3.14Å
849	R	70.8	Confident	79.9	Confident	225 Å²	225	75.5 Å²	75.5	85%	0.849	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-40.6	-172.9	-67.9	-176	-173.5	-142.7	1.9	114.6	Q846 D847	Q846-R849 PolarHBondContact O-N 3.19Å; Q846-R849 VanDerWaalsContact O-N 3.08Å; D847-R849 PolarHBondContact O-N 3.29Å
850	T	78.3	Confident	79.9	Confident	78 Å²	78	80.5 Å²	80.5	48%	0.479	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	-170.2	49.3	0	0	0	0	111.6	L845 Q846 A852	L845-T850 CarbonylContact C-O 3.53Å; L845-T850 VanDerWaalsContact CA-O 3.26Å; L845-T850 WeakPolarHBondContact CA-O 3.36Å; Q846-T850 WeakPolarHBondContact CB-OG1 3.36Å; Q846-T850 PolarHBondContact N-O 2.98Å; Q846-T850 PolarHBondContact O-N 3.31Å; Q846-T850 PolarHBondContact O-OG1 3.47Å; T850-A852 PolarHBondContact O-N 2.82Å
851	Q	82.1	Confident	79.8	Confident	143 Å²	143	83.8 Å²	83.8	67%	0.668	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.2	179.6	-175.1	176.8	-16	0	0	110.4	I843 C844	I843-Q851 HydrophobicContact CB-CG 4.36Å; I843-Q851 HydrophobicContact CD1-CG 4.43Å; C844-Q851 WeakPolarHBondContact O-CA 3.34Å
852	A	82.3	Confident	79.6	Confident	23 Å²	23	83.9 Å²	83.9	19%	0.19	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	172.3	176.2	0	0	0	0	0	111.3	Y820 C844 Q846 T850	Y820-A852 HydrophobicContact CD1-CB 4.11Å; Y820-A852 HydrophobicContact CE1-CB 3.96Å; C844-A852 PolarHBondContact O-N 3.28Å; Q846-A852 HydrophobicContact CB-CB 4.21Å; T850-A852 PolarHBondContact O-N 2.82Å
853	N	82.2	Confident	79.4	Confident	104 Å²	104	85.6 Å²	85.6	56%	0.556	44%	0.441	S	S	*	.			trans	-64.1	138	175.3	-168.5	-23	0	0	0	110.5	S855 M856	N853-S855 PolarHBondContact O-N 3.02Å; N853-S855 VanDerWaalsContact O-N 3.07Å; N853-S855 PolarHBondContact OD1-N 3.11Å; N853-S855 PolarHBondContact OD1-OG 3.14Å; N853-M856 HydrophobicContact CB-CG 4.27Å; N853-M856 WeakPolarHBondContact O-CB 3.08Å; N853-M856 WeakPolarHBondContact O-CG 3.07Å; N853-M856 PolarHBondContact O-N 2.73Å
854	S	76.2	Confident	78.8	Confident	74 Å²	74	89.5 Å²	89.5	52%	0.517	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-57.2	-22.7	179.7	46.6	0	0	0	0	114.5	M856	S854-M856 PolarHBondContact O-N 2.9Å
855	S	79.4	Confident	78.3	Confident	89 Å²	89	93 Å²	93	62%	0.622	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-69.5	-17	175.4	58.1	0	0	0	0	114.2	N853	N853-S855 PolarHBondContact O-N 3.02Å; N853-S855 VanDerWaalsContact O-N 3.07Å; N853-S855 PolarHBondContact OD1-N 3.11Å; N853-S855 PolarHBondContact OD1-OG 3.14Å
856	M	77.1	Confident	77.4	Confident	100 Å²	100	93.2 Å²	93.2	49%	0.493	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-85.5	-16.9	-177	-53.9	-64.3	-100.7	0	0	112.6	Y820 N853 S854	Y820-M856 WeakPolarHBondContact CB-O 3.35Å; Y820-M856 HydrophobicContact CD1-CB 3.81Å; Y820-M856 HydrophobicContact CD2-CB 4.37Å; Y820-M856 HydrophobicContact CE1-CB 3.96Å; Y820-M856 HydrophobicContact CE1-CG 4.47Å; Y820-M856 HydrophobicContact CG-CB 4.03Å; N853-M856 HydrophobicContact CB-CG 4.27Å; N853-M856 WeakPolarHBondContact O-CB 3.08Å; N853-M856 WeakPolarHBondContact O-CG 3.07Å; N853-M856 PolarHBondContact O-N 2.73Å; S854-M856 PolarHBondContact O-N 2.9Å
857	C	80.6	Confident	76.8	Confident	3 Å²	3	93.8 Å²	93.8	2%	0.02	52%	0.516	C	S	.	.	S	Bend	trans	-98	144.3	175.9	-73.6	0	0	0	0	111	S821 W822 C844 P859	S821-C857 VanDerWaalsContact C-SG 3.56Å; S821-C857 PolarHBondContact O-SG 3.09Å; S821-C857 VanDerWaalsContact O-SG 3.38Å; W822-C857 HydrophobicContact CD2-CB 3.92Å; W822-C857 HydrophobicContact CE3-CB 4.46Å; W822-C857 HydrophobicContact CG-CB 4.35Å; W822-C857 HydrophobicContact CH2-CB 4.27Å; W822-C857 HydrophobicContact CZ2-CB 3.7Å; C844-C857 WeakPolarHBondContact CA-SG 3.46Å; C844-C857 HydrophobicContact CB-CB 3.8Å; C844-C857 WeakPolarHBondContact CB-SG 3.28Å; C844-C857 WeakPolarHBondContact SG-CB 3.09Å; C844-C857 PolarHBondContact SG-N 3.22Å; C844-C857 VanDerWaalsContact SG-N 3.36Å; C844-C857 CovalentContact SG-SG 2.03Å; C844-C857 PolarHBondContact SG-SG 2.96Å; C857-P859 WeakPolarHBondContact O-CD 3.44Å
858	N	80.1	Confident	76.7	Confident	83 Å²	83	95.2 Å²	95.2	44%	0.444	52%	0.52	S	S	.	.			trans	-61.4	120.6	-178.2	-178.1	-11.2	0	0	0	111.6	W822 H860 T861	W822-N858 PolarHBondContact NE1-O 3.42Å; N858-H860 PolarHBondContact O-N 3.08Å; N858-H860 WeakPolarHBondContact OD1-CB 3.16Å; N858-H860 PolarHBondContact OD1-CD2 2.04Å; N858-H860 PolarHBondContact OD1-N 2.79Å; N858-T861 PolarHBondContact O-N 3.32Å; N858-T861 PolarHBondContact O-OG1 3.39Å; N858-T861 VanDerWaalsContact O-OG1 3.11Å
859	P	77.1	Confident	76.9	Confident	100 Å²	100	95.5 Å²	95.5	65%	0.649	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-58.9	-30.6	-179.6	-24.5	34	0	0	0	114.4	C857 T861 R862	C857-P859 WeakPolarHBondContact O-CD 3.44Å; P859-T861 VanDerWaalsContact C-N 3.3Å; P859-T861 PolarHBondContact O-N 3.28Å; P859-R862 WeakPolarHBondContact O-CB 3.28Å; P859-R862 PolarHBondContact O-N 2.96Å
860	H	77.9	Confident	77.3	Confident	177 Å²	177	85.9 Å²	85.9	82%	0.819	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-72.8	-20.6	-176.8	-63.3	-64.3	0	0	0	113.8	N858	N858-H860 PolarHBondContact O-N 3.08Å; N858-H860 WeakPolarHBondContact OD1-CB 3.16Å; N858-H860 PolarHBondContact OD1-CD2 2.04Å; N858-H860 PolarHBondContact OD1-N 2.79Å
861	T	79.8	Confident	77.4	Confident	90 Å²	90	84.9 Å²	84.9	55%	0.552	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-100.3	11.4	179.1	58.3	0	0	0	0	112.5	W822 N858 P859 P863	W822-T861 VanDerWaalsContact CD1-O 3.29Å; N858-T861 PolarHBondContact O-N 3.32Å; N858-T861 PolarHBondContact O-OG1 3.39Å; N858-T861 VanDerWaalsContact O-OG1 3.11Å; P859-T861 VanDerWaalsContact C-N 3.3Å; P859-T861 PolarHBondContact O-N 3.28Å; T861-P863 WeakPolarHBondContact O-CD 3.32Å
862	R	78.9	Confident	77	Confident	144 Å²	144	82.8 Å²	82.8	54%	0.543	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-65.5	123.7	-179.7	-171	177.2	-174.4	-174	1.8	110.3	W822 A842 P859	W822-R862 HydrophobicContact CD2-CB 4.37Å; W822-R862 HydrophobicContact CD2-CG 4.21Å; W822-R862 HydrophobicContact CE3-CG 4.35Å; W822-R862 HydrophobicContact CH2-CG 4.2Å; W822-R862 HydrophobicContact CZ2-CB 4.04Å; W822-R862 HydrophobicContact CZ2-CG 4.05Å; W822-R862 HydrophobicContact CZ3-CG 4.34Å; A842-R862 HydrophobicContact CB-CG 4.27Å; P859-R862 WeakPolarHBondContact O-CB 3.28Å; P859-R862 PolarHBondContact O-N 2.96Å
863	P	78.7	Confident	76.9	Confident	43 Å²	43	87.3 Å²	87.3	28%	0.279	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-61.4	141	-179.5	-23	32.2	0	0	0	112.2	W822 V824 T861 L865	W822-P863 HydrophobicContact CB-CG 3.93Å; V824-P863 HydrophobicContact CG2-CB 4.01Å; V824-P863 HydrophobicContact CG2-CG 3.97Å; T861-P863 WeakPolarHBondContact O-CD 3.32Å; P863-L865 PolarHBondContact O-N 3.5Å
864	A	73.8	Confident	76.7	Confident	107 Å²	107	84.7 Å²	84.7	88%	0.884	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-66.7	126.9	167.8	0	0	0	0	0	109.4
865	L	74.9	Confident	77	Confident	74 Å²	74	82.1 Å²	82.1	39%	0.387	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-100.1	125.8	-175.9	-61.2	169.1	0	0	0	109.7	V824 A842 P863	V824-L865 HydrophobicContact CG1-CD2 4.24Å; A842-L865 HydrophobicContact CB-CD1 4.08Å; A842-L865 HydrophobicContact CB-CD2 4.08Å; A842-L865 HydrophobicContact CB-CG 4.43Å; P863-L865 PolarHBondContact O-N 3.5Å
866	G	65.7	Low	77.2	Confident	35 Å²	35	83 Å²	83	36%	0.361	47%	0.472	S	S	.	.			trans	-110.5	151.5	176.4	0	0	0	0	0	112.5
867	S	67.1	Low	77.5	Confident	74 Å²	74	78.8 Å²	78.8	52%	0.517	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.6	164.5	64.9	0	0	0	0	109.4	I838	I838-S867 WeakPolarHBondContact O-CA 3.45Å
868	H	74.3	Confident	77.7	Confident	114 Å²	114	83.4 Å²	83.4	53%	0.528	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.8	175.3	-62.4	-83.7	0	0	0	110.5	R837 I838	R837-H868 WeakPolarHBondContact CA-O 3.44Å; I838-H868 HydrophobicContact CG2-CB 3.78Å; I838-H868 PolarHBondContact N-O 3.12Å; I838-H868 PolarHBondContact O-N 2.87Å
869	L	77.9	Confident	78	Confident	125 Å²	125	80.8 Å²	80.8	65%	0.654	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.6	171.7	-69.9	164.1	0	0	0	109.3	G836 R837 T872	G836-L869 WeakPolarHBondContact O-CA 3.02Å; R837-L869 HydrophobicContact CG-CD2 4.28Å; L869-T872 HydrophobicContact CB-CG2 4.25Å
870	C	79.8	Confident	78.4	Confident	23 Å²	23	77.4 Å²	77.4	16%	0.155	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.5	176.9	51.8	0	0	0	0	109.7	C829 G836 R837 T872	C829-C870 VanDerWaalsContact CA-SG 3.51Å; C829-C870 HydrophobicContact CB-CB 3.92Å; C829-C870 WeakPolarHBondContact CB-SG 2.99Å; C829-C870 WeakPolarHBondContact SG-CB 3.43Å; C829-C870 CovalentContact SG-SG 2.02Å; C829-C870 PolarHBondContact SG-SG 2.95Å; G836-C870 PolarHBondContact N-O 3.16Å; G836-C870 PolarHBondContact O-N 3.45Å; R837-C870 VanDerWaalsContact C-SG 3.51Å; C870-T872 PolarHBondContact O-N 3.13Å
871	N	78.7	Confident	78.8	Confident	58 Å²	58	72.1 Å²	72.1	31%	0.31	42%	0.416	S	S	.	.			trans	51.5	49.2	177.5	-58.8	-19.8	0	0	0	114.5	C829 A831 C833 A834 G835 Q873	C829-N871 WeakPolarHBondContact CB-ND2 3.3Å; C829-N871 PolarHBondContact SG-ND2 3.33Å; A831-N871 WeakPolarHBondContact O-CB 3.23Å; A831-N871 PolarHBondContact O-ND2 3.47Å; C833-N871 CarbonylContact C-O 3.51Å; A834-N871 PolarHBondContact N-O 3.44Å; G835-N871 WeakPolarHBondContact CA-O 3.3Å; G835-N871 PolarHBondContact N-O 2.79Å; N871-Q873 PolarHBondContact O-N 3.23Å
872	T	75.4	Confident	78.9	Confident	99 Å²	99	69.1 Å²	69.1	61%	0.607	40%	0.403	S	S	*	.			trans	-74.2	-5.3	-179	52.2	0	0	0	0	114.2	L869 C870	L869-T872 HydrophobicContact CB-CG2 4.25Å; C870-T872 PolarHBondContact O-N 3.13Å
873	Q	79.8	Confident	79.2	Confident	117 Å²	117	69.6 Å²	69.6	55%	0.547	42%	0.417	S	S	.	.	S	Bend	trans	-66.4	144.4	175	61.2	-126.5	36.2	0	0	112.2	A834 N871	A834-Q873 WeakPolarHBondContact CA-O 3.34Å; A834-Q873 PolarHBondContact N-O 3.33Å; N871-Q873 PolarHBondContact O-N 3.23Å
874	P	78.3	Confident	79.6	Confident	49 Å²	49	70.9 Å²	70.9	32%	0.318	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-57.3	145.1	173	-20.8	31.6	0	0	0	111.4	R904 K905 V906	P874-R904 HydrophobicContact CB-CG 4.31Å; P874-K905 WeakPolarHBondContact CA-O 3.35Å; P874-V906 HydrophobicContact CG-CG1 4.4Å
875	C	81.9	Confident	80.1	Confident	21 Å²	21	66.9 Å²	66.9	14%	0.142	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-66.3	161.8	173.4	-65	0	0	0	0	111.5	C833 R904 K905	C833-C875 VanDerWaalsContact C-SG 3.59Å; C833-C875 HydrophobicContact CB-CB 3.93Å; C833-C875 WeakPolarHBondContact CB-SG 3.34Å; C833-C875 WeakPolarHBondContact SG-CA 3.27Å; C833-C875 WeakPolarHBondContact SG-CB 3.47Å; C833-C875 CovalentContact SG-SG 2.03Å; C833-C875 PolarHBondContact SG-SG 3.43Å; C875-R904 WeakPolarHBondContact O-CD 3.37Å; C875-R904 WeakPolarHBondContact O-CG 3.17Å; C875-K905 HydrophobicContact CB-CB 4.13Å; C875-K905 PolarHBondContact N-O 2.88Å
876	P	83.6	Confident	80.4	Confident	108 Å²	108	69.5 Å²	69.5	70%	0.701	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-55.3	145.6	169.3	-24.7	34.8	0	0	0	111.9
877	A	84.1	Confident	81.3	Confident	11 Å²	11	69.2 Å²	69.2	9%	0.091	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-73.9	149.9	178.2	0	0	0	0	0	111	M903 R904 A914 L918 P920	A877-M903 CarbonylContact C-O 3.59Å; A877-M903 VanDerWaalsContact CA-O 3.23Å; A877-M903 WeakPolarHBondContact CA-O 3.05Å; A877-R904 HydrophobicContact CB-CB 3.96Å; A877-R904 HydrophobicContact CB-CG 4.25Å; A877-A914 HydrophobicContact CB-CB 3.99Å; A877-L918 HydrophobicContact CB-CB 4.17Å; A877-P920 WeakPolarHBondContact O-CD 3.43Å
878	Y	84.9	Confident	82.1	Confident	99 Å²	99	69.7 Å²	69.7	39%	0.388	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.1	-176.9	68	-88.9	0	0	0	111.3	A880 M903 D911 C919	Y878-A880 HydrophobicContact CE2-CB 4.33Å; Y878-A880 PolarHBondContact O-N 3.25Å; Y878-M903 WeakPolarHBondContact CD1-O 3.4Å; Y878-M903 HydrophobicContact CE1-CB 4.29Å; Y878-M903 HydrophobicContact CE2-CB 4.35Å; Y878-M903 PolarHBondContact N-O 3.06Å; Y878-M903 PolarHBondContact O-N 3.07Å; Y878-D911 PolarHBondContact OH-OD2 2.85Å; Y878-C919 PolarHBondContact O-SG 2.02Å
879	W	85.9	Confident	82.3	Confident	29 Å²	29	71.7 Å²	71.7	11%	0.11	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118	176.6	-66.9	113.9	0	0	0	111	P881 L900 C902 H916 C919 P920 I922 P924	W879-P881 WeakPolarHBondContact O-CD 3.35Å; W879-L900 HydrophobicContact CE3-CB 4.02Å; W879-C902 HydrophobicContact CE3-CB 4.22Å; W879-C902 HydrophobicContact CH2-CB 4.3Å; W879-C902 HydrophobicContact CZ3-CB 3.76Å; W879-H916 AromaticContact CH2-CD2 3.65Å; W879-H916 AromaticContact CH2-CE1 3.13Å; W879-H916 WeakPolarHBondContact CH2-CE1 3.08Å; W879-H916 AromaticContact CH2-CG 3.63Å; W879-H916 AromaticContact CH2-ND1 3.31Å; W879-H916 VanDerWaalsContact CH2-ND1 3.31Å; W879-H916 WeakPolarHBondContact CH2-ND1 3.3Å; W879-H916 AromaticContact CH2-NE2 3.35Å; W879-H916 VanDerWaalsContact CH2-NE2 3.35Å; W879-H916 WeakPolarHBondContact CH2-NE2 3.36Å; W879-H916 AromaticContact CZ3-CE1 3.45Å; W879-H916 VanDerWaalsContact CZ3-CE1 3.45Å; W879-H916 WeakPolarHBondContact CZ3-CE1 3.04Å; W879-H916 AromaticContact CZ3-ND1 3.5Å; W879-H916 WeakPolarHBondContact CZ3-ND1 3.31Å; W879-C919 HydrophobicContact CD2-CB 3.82Å; W879-C919 VanDerWaalsContact CE2-CB 3.41Å; W879-C919 HydrophobicContact CE3-CB 4.15Å; W879-C919 HydrophobicContact CG-CB 4.46Å; W879-C919 HydrophobicContact CH2-CB 3.61Å; W879-C919 HydrophobicContact CZ2-CB 3.32Å; W879-C919 HydrophobicContact CZ3-CB 4.06Å; W879-P920 PolarHBondContact NE1-O 3.05Å; W879-I922 PolarHBondContact NE1-O 3.03Å; W879-P924 HydrophobicContact CB-CG 3.95Å
880	A	86	Confident	82.4	Confident	28 Å²	28	70.6 Å²	70.6	23%	0.231	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.6	167.7	0	0	0	0	0	109	Y878 R901 M903	Y878-A880 HydrophobicContact CE2-CB 4.33Å; Y878-A880 PolarHBondContact O-N 3.25Å; A880-R901 PolarHBondContact N-O 3.07Å; A880-R901 PolarHBondContact O-N 3.38Å; A880-M903 HydrophobicContact CB-CB 4.29Å; A880-M903 HydrophobicContact CB-CG 3.58Å
881	P	84.6	Confident	82.3	Confident	67 Å²	67	71.2 Å²	71.2	44%	0.435	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.5	175	29.4	-32	0	0	0	111	W879 L900	W879-P881 WeakPolarHBondContact O-CD 3.35Å; P881-L900 HydrophobicContact CB-CD2 3.69Å
882	G	82.2	Confident	82.1	Confident	27 Å²	27	70.5 Å²	70.5	28%	0.278	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	174.8	165.4	0	0	0	0	0	111.7	R898 T899	G882-R898 WeakPolarHBondContact O-CD 3.34Å; G882-T899 PolarHBondContact N-O 3.28Å
883	D	86.3	Confident	82.4	Confident	154 Å²	154	67.1 Å²	67.1	82%	0.824	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	154.7	176.3	-59.4	-48.8	0	0	0	111.9	R898	D883-R898 WeakPolarHBondContact O-CB 3.35Å
884	W	86.3	Confident	82.5	Confident	69 Å²	69	61.9 Å²	61.9	26%	0.261	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.5	176.4	-66.6	103.1	0	0	0	111.1	Q896 R898 A925 Q926 Q928	W884-Q896 HydrophobicContact CB-CG 4.33Å; W884-Q896 VanDerWaalsContact CB-OE1 3.24Å; W884-Q896 HydrophobicContact CD2-CG 4.32Å; W884-Q896 HydrophobicContact CE3-CB 4.49Å; W884-Q896 HydrophobicContact CE3-CG 3.95Å; W884-Q896 VanDerWaalsContact CZ3-O 3.27Å; W884-Q896 WeakPolarHBondContact CZ3-O 3.46Å; W884-R898 HydrophobicContact CD2-CB 3.83Å; W884-R898 HydrophobicContact CD2-CG 4.01Å; W884-R898 HydrophobicContact CE3-CB 3.6Å; W884-R898 HydrophobicContact CE3-CG 3.76Å; W884-R898 HydrophobicContact CG-CB 4.36Å; W884-R898 HydrophobicContact CH2-CG 3.78Å; W884-R898 HydrophobicContact CZ2-CG 4.01Å; W884-R898 HydrophobicContact CZ3-CB 3.98Å; W884-R898 HydrophobicContact CZ3-CG 3.64Å; W884-A925 WeakPolarHBondContact CH2-O 3.47Å; W884-Q926 VanDerWaalsContact CZ3-O 3.27Å; W884-Q926 WeakPolarHBondContact CZ3-O 3Å; W884-Q928 VanDerWaalsContact CD1-NE2 3.25Å; W884-Q928 HydrophobicContact CD2-CG 3.93Å; W884-Q928 VanDerWaalsContact CD2-NE2 3.3Å; W884-Q928 HydrophobicContact CE3-CG 3.85Å; W884-Q928 HydrophobicContact CH2-CB 3.73Å; W884-Q928 HydrophobicContact CH2-CG 3.63Å; W884-Q928 HydrophobicContact CZ2-CB 4.04Å; W884-Q928 HydrophobicContact CZ2-CG 3.71Å; W884-Q928 HydrophobicContact CZ3-CB 4.11Å; W884-Q928 HydrophobicContact CZ3-CG 3.7Å
885	G	83.9	Confident	82.9	Confident	24 Å²	24	65 Å²	65	25%	0.247	39%	0.391	C	S	.	.			trans	-72.1	175.1	173.8	0	0	0	0	0	113.3	Q896 T897	G885-Q896 WeakPolarHBondContact O-CB 3.26Å; G885-T897 PolarHBondContact N-O 3.38Å
886	P	81.8	Confident	83.1	Confident	128 Å²	128	65.9 Å²	65.9	83%	0.831	39%	0.393	S	S	*	.			trans	-61.8	146.3	177.9	26.7	-33.9	0	0	0	111.8
887	C	85	Confident	83.2	Confident	29 Å²	29	64.9 Å²	64.9	20%	0.196	39%	0.385	C	S	.	.			trans	-68.8	136.8	-179.4	-168	0	0	0	0	111.6	R889 C930 H931	C887-R889 PolarHBondContact O-N 3.42Å; C887-R889 PolarHBondContact SG-O 3.37Å; C887-C930 WeakPolarHBondContact CA-SG 3.42Å; C887-C930 HydrophobicContact CB-CB 3.85Å; C887-C930 WeakPolarHBondContact CB-SG 3.26Å; C887-C930 VanDerWaalsContact SG-C 3.59Å; C887-C930 WeakPolarHBondContact SG-CB 3.2Å; C887-C930 CovalentContact SG-SG 2.01Å; C887-C930 PolarHBondContact SG-SG 3.08Å; C887-H931 WeakPolarHBondContact CB-ND1 3.34Å; C887-H931 PolarHBondContact SG-ND1 2.93Å
888	S	84.1	Confident	83.3	Confident	85 Å²	85	66.7 Å²	66.7	59%	0.594	39%	0.39	S	S	*	.	S	Bend	trans	-65.9	-18.1	-177.9	65.8	0	0	0	0	115	Q895	S888-Q895 WeakPolarHBondContact CB-O 3.32Å; S888-Q895 PolarHBondContact N-O 2.8Å; S888-Q895 PolarHBondContact OG-N 3.38Å; S888-Q895 PolarHBondContact OG-O 3.4Å
889	R	78.8	Confident	83.2	Confident	155 Å²	155	66.4 Å²	66.4	59%	0.585	40%	0.398	S	S	*	.			trans	-137.6	146.5	174.8	-68.8	-179.4	167.7	-175.2	-4	110.2	C887 G893 H931	C887-R889 PolarHBondContact O-N 3.42Å; C887-R889 PolarHBondContact SG-O 3.37Å; R889-G893 WeakPolarHBondContact CD-O 3.42Å; R889-H931 PolarHBondContact O-ND1 2.9Å
890	S	78.3	Confident	83.1	Confident	103 Å²	103	66 Å²	66	72%	0.72	40%	0.398	S	S	*	.	S	Bend	trans	-82.4	-22.3	176.6	47.8	0	0	0	0	113.5
891	C	78.7	Confident	83.1	Confident	35 Å²	35	73 Å²	73	24%	0.236	42%	0.419	C	S	.	.	S	Bend	trans	-155.6	167.5	173.8	62.9	0	0	0	0	111	C935	C891-C935 HydrophobicContact CB-CB 4.04Å; C891-C935 WeakPolarHBondContact CB-SG 3.48Å; C891-C935 WeakPolarHBondContact SG-CB 3.24Å; C891-C935 CovalentContact SG-SG 2.04Å; C891-C935 PolarHBondContact SG-SG 3.21Å
892	G	74.6	Confident	83.2	Confident	43 Å²	43	70.2 Å²	70.2	44%	0.443	40%	0.401	S	S	.	.	S	Bend	trans	78.3	16.2	174.6	0	0	0	0	0	115.4	Q933 C935	G892-Q933 PolarHBondContact N-O 3.5Å; G892-C935 PolarHBondContact N-SG 3.43Å
893	G	81.8	Confident	83.3	Confident	29 Å²	29	71 Å²	71	30%	0.299	40%	0.397	S	S	.	.			trans	88	104.6	-179.7	0	0	0	0	0	113.6	R889 H931	R889-G893 WeakPolarHBondContact CD-O 3.42Å; G893-H931 WeakPolarHBondContact CA-O 3.49Å; G893-H931 PolarHBondContact N-O 3.12Å
894	G	81.3	Confident	83.2	Confident	6 Å²	6	67.7 Å²	67.7	6%	0.062	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	179.1	172	0	0	0	0	0	112.7	P929 C930	G894-P929 WeakPolarHBondContact O-CA 3.4Å; G894-C930 CarbonylContact C-O 3.57Å; G894-C930 VanDerWaalsContact C-SG 3.55Å; G894-C930 PolarHBondContact N-O 2.99Å; G894-C930 PolarHBondContact O-N 3.25Å
895	Q	87.3	Confident	82.9	Confident	114 Å²	114	67.5 Å²	67.5	53%	0.533	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.4	175.4	-68.5	-176.1	-3.1	0	0	110	S888 I927	S888-Q895 WeakPolarHBondContact CB-O 3.32Å; S888-Q895 PolarHBondContact N-O 2.8Å; S888-Q895 PolarHBondContact OG-N 3.38Å; S888-Q895 PolarHBondContact OG-O 3.4Å; Q895-I927 HydrophobicContact CB-CG2 3.97Å; Q895-I927 HydrophobicContact CG-CG2 4.14Å
896	Q	86.3	Confident	82.6	Confident	41 Å²	41	67.9 Å²	67.9	19%	0.192	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.7	170.5	56.5	-175.8	-33.8	0	0	108.9	W884 G885 I927 Q928 C930	W884-Q896 HydrophobicContact CB-CG 4.33Å; W884-Q896 VanDerWaalsContact CB-OE1 3.24Å; W884-Q896 HydrophobicContact CD2-CG 4.32Å; W884-Q896 HydrophobicContact CE3-CB 4.49Å; W884-Q896 HydrophobicContact CE3-CG 3.95Å; W884-Q896 VanDerWaalsContact CZ3-O 3.27Å; W884-Q896 WeakPolarHBondContact CZ3-O 3.46Å; G885-Q896 WeakPolarHBondContact O-CB 3.26Å; Q896-I927 WeakPolarHBondContact O-CA 3.48Å; Q896-Q928 HydrophobicContact CG-CG 3.49Å; Q896-Q928 VanDerWaalsContact CG-CG 3.49Å; Q896-Q928 PolarHBondContact N-O 3.46Å; Q896-Q928 PolarHBondContact O-N 3.24Å; Q896-C930 HydrophobicContact CB-CB 4.47Å; Q896-C930 HydrophobicContact CG-CB 4Å; Q896-C930 PolarHBondContact N-SG 3.1Å
897	T	84.7	Confident	82.1	Confident	86 Å²	86	64.9 Å²	64.9	53%	0.528	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.8	-177.3	59	0	0	0	0	110.9	G885 Q926 I927	G885-T897 PolarHBondContact N-O 3.38Å; T897-Q926 CarbonylContact C-O 3.59Å; T897-Q926 VanDerWaalsContact CA-O 3.24Å; T897-Q926 WeakPolarHBondContact CA-O 3.23Å; T897-I927 HydrophobicContact CG2-CG1 4.15Å
898	R	85.5	Confident	81.2	Confident	50 Å²	50	72 Å²	72	19%	0.189	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.6	171	68.7	176.3	172.7	-173.2	-4.9	111.3	G882 D883 W884 P924 A925 Q926	G882-R898 WeakPolarHBondContact O-CD 3.34Å; D883-R898 WeakPolarHBondContact O-CB 3.35Å; W884-R898 HydrophobicContact CD2-CB 3.83Å; W884-R898 HydrophobicContact CD2-CG 4.01Å; W884-R898 HydrophobicContact CE3-CB 3.6Å; W884-R898 HydrophobicContact CE3-CG 3.76Å; W884-R898 HydrophobicContact CG-CB 4.36Å; W884-R898 HydrophobicContact CH2-CG 3.78Å; W884-R898 HydrophobicContact CZ2-CG 4.01Å; W884-R898 HydrophobicContact CZ3-CB 3.98Å; W884-R898 HydrophobicContact CZ3-CG 3.64Å; R898-P924 VanDerWaalsContact NH2-CB 3.29Å; R898-A925 VanDerWaalsContact CZ-O 3.26Å; R898-A925 PolarHBondContact NE-O 2.87Å; R898-A925 PolarHBondContact NH2-O 2.72Å; R898-Q926 PolarHBondContact N-O 2.84Å
899	T	83.2	Confident	80.4	Confident	93 Å²	93	76.5 Å²	76.5	57%	0.571	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.4	172.8	60.2	0	0	0	0	110.5	G882	G882-T899 PolarHBondContact N-O 3.28Å
900	L	84.9	Confident	80.3	Confident	20 Å²	20	76.1 Å²	76.1	11%	0.105	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.5	172.1	-58.9	176.2	0	0	0	108.7	W879 P881 P924 Q926	W879-L900 HydrophobicContact CE3-CB 4.02Å; P881-L900 HydrophobicContact CB-CD2 3.69Å; L900-P924 WeakPolarHBondContact CD1-O 2.98Å; L900-P924 HydrophobicContact CD2-CB 4.27Å; L900-P924 HydrophobicContact CD2-CG 4.44Å; L900-Q926 HydrophobicContact CD1-CG 3.54Å; L900-Q926 HydrophobicContact CG-CG 3.78Å
901	R	84.7	Confident	80.4	Confident	176 Å²	176	74.1 Å²	74.1	66%	0.664	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.6	171.8	-65.9	-176.1	-179.7	170	0.9	109.2	A880 M903	A880-R901 PolarHBondContact N-O 3.07Å; A880-R901 PolarHBondContact O-N 3.38Å; R901-M903 HydrophobicContact CB-CG 4.48Å; R901-M903 HydrophobicContact CB-SD 4.48Å
902	C	86.7	Confident	80.6	Confident	8 Å²	8	75.4 Å²	75.4	5%	0.054	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.2	172.4	-176.8	0	0	0	0	108.3	W879 A913 A914 A915 C919	W879-C902 HydrophobicContact CE3-CB 4.22Å; W879-C902 HydrophobicContact CH2-CB 4.3Å; W879-C902 HydrophobicContact CZ3-CB 3.76Å; C902-A913 CarbonylContact O-C 3.54Å; C902-A913 WeakPolarHBondContact O-CA 2.98Å; C902-A914 PolarHBondContact O-N 2.78Å; C902-A915 PolarHBondContact SG-O 2.97Å; C902-A915 VanDerWaalsContact SG-O 3.4Å; C902-C919 WeakPolarHBondContact CA-SG 3.34Å; C902-C919 HydrophobicContact CB-CB 3.92Å; C902-C919 WeakPolarHBondContact CB-SG 3.44Å; C902-C919 WeakPolarHBondContact SG-CB 3.37Å; C902-C919 CovalentContact SG-SG 2.02Å; C902-C919 PolarHBondContact SG-SG 3.15Å
903	M	84.4	Confident	80.8	Confident	42 Å²	42	77.4 Å²	77.4	21%	0.207	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.2	-176.4	-63.3	-66.2	-70.6	0	0	109.9	A877 Y878 A880 R901 D911 E912 A913	A877-M903 CarbonylContact C-O 3.59Å; A877-M903 VanDerWaalsContact CA-O 3.23Å; A877-M903 WeakPolarHBondContact CA-O 3.05Å; Y878-M903 WeakPolarHBondContact CD1-O 3.4Å; Y878-M903 HydrophobicContact CE1-CB 4.29Å; Y878-M903 HydrophobicContact CE2-CB 4.35Å; Y878-M903 PolarHBondContact N-O 3.06Å; Y878-M903 PolarHBondContact O-N 3.07Å; A880-M903 HydrophobicContact CB-CB 4.29Å; A880-M903 HydrophobicContact CB-CG 3.58Å; R901-M903 HydrophobicContact CB-CG 4.48Å; R901-M903 HydrophobicContact CB-SD 4.48Å; M903-D911 HydrophobicContact CE-CB 3.91Å; M903-E912 CarbonylContact C-O 3.48Å; M903-E912 WeakPolarHBondContact CA-O 3.33Å; M903-A913 HydrophobicContact SD-CB 4.23Å
904	R	84.3	Confident	80.8	Confident	85 Å²	85	77 Å²	77	32%	0.321	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.8	177.5	-170.1	176.7	65.3	166.2	-2.9	110.4	P874 C875 A877 V906 D911 E912 A914	P874-R904 HydrophobicContact CB-CG 4.31Å; C875-R904 WeakPolarHBondContact O-CD 3.37Å; C875-R904 WeakPolarHBondContact O-CG 3.17Å; A877-R904 HydrophobicContact CB-CB 3.96Å; A877-R904 HydrophobicContact CB-CG 4.25Å; R904-V906 PolarHBondContact O-N 2.76Å; R904-D911 WeakPolarHBondContact O-CA 2.94Å; R904-E912 PolarHBondContact N-O 2.03Å; R904-E912 PolarHBondContact O-N 2.94Å; R904-A914 HydrophobicContact CB-CB 3.94Å
905	K	80.1	Confident	80.7	Confident	66 Å²	66	79.4 Å²	79.4	29%	0.287	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.9	177.3	-170.4	159.4	-169.2	174.5	0	110.8	A834 P874 C875 T907 Y908 D911	A834-K905 HydrophobicContact CB-CG 3.99Å; P874-K905 WeakPolarHBondContact CA-O 3.35Å; C875-K905 HydrophobicContact CB-CB 4.13Å; C875-K905 PolarHBondContact N-O 2.88Å; K905-T907 VanDerWaalsContact CE-O 3.28Å; K905-T907 WeakPolarHBondContact CE-O 3.48Å; K905-T907 VanDerWaalsContact CG-O 3.3Å; K905-T907 WeakPolarHBondContact CG-O 3.42Å; K905-Y908 VanDerWaalsContact CE-C 3.46Å; K905-Y908 WeakPolarHBondContact CE-O 3.45Å; K905-Y908 PolarHBondContact NZ-O 3.06Å; K905-D911 WeakPolarHBondContact CA-OD1 3.41Å; K905-D911 VanDerWaalsContact CB-OD1 3.28Å; K905-D911 WeakPolarHBondContact CB-OD1 3.37Å; K905-D911 WeakPolarHBondContact CG-OD1 3.46Å
906	V	77.8	Confident	80.2	Confident	32 Å²	32	80.1 Å²	80.1	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-33.5	-175.8	-174.4	0	0	0	0	111.2	P874 R904 R910 E912	P874-V906 HydrophobicContact CG-CG1 4.4Å; R904-V906 PolarHBondContact O-N 2.76Å; V906-R910 PolarHBondContact N-O 3.4Å; V906-E912 HydrophobicContact CG2-CB 4Å; V906-E912 HydrophobicContact CG2-CG 3.84Å; V906-E912 WeakPolarHBondContact CG2-OE2 3.11Å
907	T	71.4	Confident	79.8	Confident	65 Å²	65	83.3 Å²	83.3	40%	0.399	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	167.6	170.5	65.7	0	0	0	0	109.8	K905 Q909 R910	K905-T907 VanDerWaalsContact CE-O 3.28Å; K905-T907 WeakPolarHBondContact CE-O 3.48Å; K905-T907 VanDerWaalsContact CG-O 3.3Å; K905-T907 WeakPolarHBondContact CG-O 3.42Å; T907-Q909 PolarHBondContact O-N 3.09Å; T907-R910 PolarHBondContact N-O 2.8Å; T907-R910 PolarHBondContact O-N 3.06Å; T907-R910 VanDerWaalsContact O-N 3.1Å; T907-R910 WeakPolarHBondContact OG1-CB 3.07Å; T907-R910 PolarHBondContact OG1-N 2.73Å
908	Y	66.1	Low	79.6	Confident	177 Å²	177	84 Å²	84	69%	0.694	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-30.9	-179.2	-176.3	-105.1	0	0	0	114.8	A834 K905	A834-Y908 PolarHBondContact O-N 2.89Å; K905-Y908 VanDerWaalsContact CE-C 3.46Å; K905-Y908 WeakPolarHBondContact CE-O 3.45Å; K905-Y908 PolarHBondContact NZ-O 3.06Å
909	Q	68.6	Low	79.4	Confident	181 Å²	181	82.2 Å²	82.2	85%	0.846	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-1.2	-178.4	-63.8	-175.3	-25.5	0	0	114.6	T907	T907-Q909 PolarHBondContact O-N 3.09Å
910	R	76	Confident	79.2	Confident	147 Å²	147	81.1 Å²	81.1	56%	0.555	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.7	-172.7	-163.4	177	179	-126.7	-9.5	111.5	V906 T907 E912	V906-R910 PolarHBondContact N-O 3.4Å; T907-R910 PolarHBondContact N-O 2.8Å; T907-R910 PolarHBondContact O-N 3.06Å; T907-R910 VanDerWaalsContact O-N 3.1Å; T907-R910 WeakPolarHBondContact OG1-CB 3.07Å; T907-R910 PolarHBondContact OG1-N 2.73Å; R910-E912 IonicContact CZ-OE1 3.24Å; R910-E912 IonicContact NE-OE1 2.64Å; R910-E912 IonicContact NH1-OE1 3.54Å; R910-E912 PolarHBondContact NH1-OE1 3.46Å; R910-E912 IonicContact NH2-OE1 3.33Å; R910-E912 PolarHBondContact NH2-OE1 3.17Å
911	D	80.6	Confident	78.8	Confident	61 Å²	61	87.4 Å²	87.4	33%	0.326	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.3	167.7	-69.2	0.3	0	0	0	109	Y878 M903 R904 K905	Y878-D911 PolarHBondContact OH-OD2 2.85Å; M903-D911 HydrophobicContact CE-CB 3.91Å; R904-D911 WeakPolarHBondContact O-CA 2.94Å; K905-D911 WeakPolarHBondContact CA-OD1 3.41Å; K905-D911 VanDerWaalsContact CB-OD1 3.28Å; K905-D911 WeakPolarHBondContact CB-OD1 3.37Å; K905-D911 WeakPolarHBondContact CG-OD1 3.46Å
912	E	82.7	Confident	78.5	Confident	61 Å²	61	86.1 Å²	86.1	29%	0.285	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.4	177.2	-68.1	-175.5	164.7	0	0	110.2	M903 R904 V906 R910 A914	M903-E912 CarbonylContact C-O 3.48Å; M903-E912 WeakPolarHBondContact CA-O 3.33Å; R904-E912 PolarHBondContact N-O 2.03Å; R904-E912 PolarHBondContact O-N 2.94Å; V906-E912 HydrophobicContact CG2-CB 4Å; V906-E912 HydrophobicContact CG2-CG 3.84Å; V906-E912 WeakPolarHBondContact CG2-OE2 3.11Å; R910-E912 IonicContact CZ-OE1 3.24Å; R910-E912 IonicContact NE-OE1 2.64Å; R910-E912 IonicContact NH1-OE1 3.54Å; R910-E912 PolarHBondContact NH1-OE1 3.46Å; R910-E912 IonicContact NH2-OE1 3.33Å; R910-E912 PolarHBondContact NH2-OE1 3.17Å; E912-A914 PolarHBondContact O-N 3.01Å
913	A	79.1	Confident	78.2	Confident	85 Å²	85	88.3 Å²	88.3	70%	0.702	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	124	171.2	0	0	0	0	0	109.5	C902 M903	C902-A913 CarbonylContact O-C 3.54Å; C902-A913 WeakPolarHBondContact O-CA 2.98Å; M903-A913 HydrophobicContact SD-CB 4.23Å
914	A	80.2	Confident	78	Confident	22 Å²	22	88.5 Å²	88.5	18%	0.182	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-101	159.7	176.9	0	0	0	0	0	110.8	A877 C902 R904 E912 L918	A877-A914 HydrophobicContact CB-CB 3.99Å; C902-A914 PolarHBondContact O-N 2.78Å; R904-A914 HydrophobicContact CB-CB 3.94Å; E912-A914 PolarHBondContact O-N 3.01Å; A914-L918 HydrophobicContact CB-CB 4.47Å; A914-L918 HydrophobicContact CB-CD1 4.25Å
915	A	80.4	Confident	77.9	Confident	56 Å²	56	87.5 Å²	87.5	46%	0.463	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-59.1	141.8	173	0	0	0	0	0	110.4	C902 S917 L918	C902-A915 PolarHBondContact SG-O 2.97Å; C902-A915 VanDerWaalsContact SG-O 3.4Å; A915-S917 PolarHBondContact O-N 2.78Å; A915-L918 HydrophobicContact CB-CD1 4.2Å; A915-L918 HydrophobicContact CB-CG 4.4Å; A915-L918 WeakPolarHBondContact O-CB 3.32Å; A915-L918 PolarHBondContact O-N 3.32Å
916	H	77	Confident	78	Confident	129 Å²	129	88.8 Å²	88.8	60%	0.597	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-54.9	-30.5	-177.3	-161	91.6	0	0	0	112.8	W879 L918 C919	W879-H916 AromaticContact CH2-CD2 3.65Å; W879-H916 AromaticContact CH2-CE1 3.13Å; W879-H916 WeakPolarHBondContact CH2-CE1 3.08Å; W879-H916 AromaticContact CH2-CG 3.63Å; W879-H916 AromaticContact CH2-ND1 3.31Å; W879-H916 VanDerWaalsContact CH2-ND1 3.31Å; W879-H916 WeakPolarHBondContact CH2-ND1 3.3Å; W879-H916 AromaticContact CH2-NE2 3.35Å; W879-H916 VanDerWaalsContact CH2-NE2 3.35Å; W879-H916 WeakPolarHBondContact CH2-NE2 3.36Å; W879-H916 AromaticContact CZ3-CE1 3.45Å; W879-H916 VanDerWaalsContact CZ3-CE1 3.45Å; W879-H916 WeakPolarHBondContact CZ3-CE1 3.04Å; W879-H916 AromaticContact CZ3-ND1 3.5Å; W879-H916 WeakPolarHBondContact CZ3-ND1 3.31Å; H916-L918 VanDerWaalsContact C-N 3.27Å; H916-L918 PolarHBondContact O-N 3.22Å; H916-C919 PolarHBondContact O-N 3.47Å
917	S	77.8	Confident	78.2	Confident	108 Å²	108	91.6 Å²	91.6	76%	0.755	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.2	177	53.6	0	0	0	0	115.2	A915	A915-S917 PolarHBondContact O-N 2.78Å
918	L	79.4	Confident	78.9	Confident	101 Å²	101	91.6 Å²	91.6	53%	0.529	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-90.4	-11.5	-179.1	-65.8	171.1	0	0	0	113	A877 A914 A915 H916	A877-L918 HydrophobicContact CB-CB 4.17Å; A914-L918 HydrophobicContact CB-CB 4.47Å; A914-L918 HydrophobicContact CB-CD1 4.25Å; A915-L918 HydrophobicContact CB-CD1 4.2Å; A915-L918 HydrophobicContact CB-CG 4.4Å; A915-L918 WeakPolarHBondContact O-CB 3.32Å; A915-L918 PolarHBondContact O-N 3.32Å; H916-L918 VanDerWaalsContact C-N 3.27Å; H916-L918 PolarHBondContact O-N 3.22Å
919	C	82.1	Confident	79.7	Confident	12 Å²	12	87.8 Å²	87.8	8%	0.081	50%	0.5	C	S	.	.	S	Bend	trans	-87.3	157.5	176.7	-85	0	0	0	0	112.2	Y878 W879 C902 H916	Y878-C919 PolarHBondContact O-SG 2.02Å; W879-C919 HydrophobicContact CD2-CB 3.82Å; W879-C919 VanDerWaalsContact CE2-CB 3.41Å; W879-C919 HydrophobicContact CE3-CB 4.15Å; W879-C919 HydrophobicContact CG-CB 4.46Å; W879-C919 HydrophobicContact CH2-CB 3.61Å; W879-C919 HydrophobicContact CZ2-CB 3.32Å; W879-C919 HydrophobicContact CZ3-CB 4.06Å; C902-C919 WeakPolarHBondContact CA-SG 3.34Å; C902-C919 HydrophobicContact CB-CB 3.92Å; C902-C919 WeakPolarHBondContact CB-SG 3.44Å; C902-C919 WeakPolarHBondContact SG-CB 3.37Å; C902-C919 CovalentContact SG-SG 2.02Å; C902-C919 PolarHBondContact SG-SG 3.15Å; H916-C919 PolarHBondContact O-N 3.47Å
920	P	79.1	Confident	80.4	Confident	70 Å²	70	79.7 Å²	79.7	46%	0.455	46%	0.463	S	S	.	.			trans	-55.4	142.4	179.9	-24.9	34.2	0	0	0	112.1	A877 W879 I922	A877-P920 WeakPolarHBondContact O-CD 3.43Å; W879-P920 PolarHBondContact NE1-O 3.05Å; P920-I922 PolarHBondContact O-N 2.74Å; P920-I922 VanDerWaalsContact O-N 3.15Å
921	V	76.4	Confident	80.5	Confident	152 Å²	152	76.9 Å²	76.9	92%	0.921	46%	0.456	S	S	*	.	S	Bend	trans	-57.4	-33	-179.4	-178.7	0	0	0	0	112	S923	V921-S923 PolarHBondContact O-N 3.42Å
922	I	78.6	Confident	80.1	Confident	149 Å²	149	79.3 Å²	79.3	76%	0.764	47%	0.473	S	S	*	.	S	Bend	trans	-83.2	111.3	175.9	-54.7	172.8	0	0	0	108.4	W879 P920	W879-I922 PolarHBondContact NE1-O 3.03Å; P920-I922 PolarHBondContact O-N 2.74Å; P920-I922 VanDerWaalsContact O-N 3.15Å
923	S	79.3	Confident	79.8	Confident	54 Å²	54	82.8 Å²	82.8	38%	0.378	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-100.6	148.4	175.3	66.4	0	0	0	0	111.6	V921	V921-S923 PolarHBondContact O-N 3.42Å
924	P	81.9	Confident	79.5	Confident	45 Å²	45	83.3 Å²	83.3	29%	0.292	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-58	150.2	172.2	-23.2	32.5	0	0	0	111.7	W879 R898 L900 Q926	W879-P924 HydrophobicContact CB-CG 3.95Å; R898-P924 VanDerWaalsContact NH2-CB 3.29Å; L900-P924 WeakPolarHBondContact CD1-O 2.98Å; L900-P924 HydrophobicContact CD2-CB 4.27Å; L900-P924 HydrophobicContact CD2-CG 4.44Å; P924-Q926 PolarHBondContact O-N 3.43Å
925	A	80.7	Confident	79.2	Confident	64 Å²	64	85.3 Å²	85.3	53%	0.529	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-54.3	128.7	-179.5	0	0	0	0	0	111.9	W884 R898	W884-A925 WeakPolarHBondContact CH2-O 3.47Å; R898-A925 VanDerWaalsContact CZ-O 3.26Å; R898-A925 PolarHBondContact NE-O 2.87Å; R898-A925 PolarHBondContact NH2-O 2.72Å
926	Q	82.1	Confident	78.9	Confident	93 Å²	93	88 Å²	88	44%	0.435	52%	0.519	S	S	.	.	S	Bend	trans	-90.4	-12.8	178.1	-69.2	-171.4	-53.7	0	0	113.2	W884 T897 R898 L900 P924	W884-Q926 VanDerWaalsContact CZ3-O 3.27Å; W884-Q926 WeakPolarHBondContact CZ3-O 3Å; T897-Q926 CarbonylContact C-O 3.59Å; T897-Q926 VanDerWaalsContact CA-O 3.24Å; T897-Q926 WeakPolarHBondContact CA-O 3.23Å; R898-Q926 PolarHBondContact N-O 2.84Å; L900-Q926 HydrophobicContact CD1-CG 3.54Å; L900-Q926 HydrophobicContact CG-CG 3.78Å; P924-Q926 PolarHBondContact O-N 3.43Å
927	I	83.5	Confident	78.6	Confident	91 Å²	91	87.2 Å²	87.2	47%	0.467	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.7	-177.5	-50.5	-177.7	0	0	0	107.4	Q895 Q896 T897	Q895-I927 HydrophobicContact CB-CG2 3.97Å; Q895-I927 HydrophobicContact CG-CG2 4.14Å; Q896-I927 WeakPolarHBondContact O-CA 3.48Å; T897-I927 HydrophobicContact CG2-CG1 4.15Å
928	Q	85.3	Confident	78	Confident	66 Å²	66	91.4 Å²	91.4	31%	0.308	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.9	169.9	70.5	178.4	-3.6	0	0	111	W884 Q896	W884-Q928 VanDerWaalsContact CD1-NE2 3.25Å; W884-Q928 HydrophobicContact CD2-CG 3.93Å; W884-Q928 VanDerWaalsContact CD2-NE2 3.3Å; W884-Q928 HydrophobicContact CE3-CG 3.85Å; W884-Q928 HydrophobicContact CH2-CB 3.73Å; W884-Q928 HydrophobicContact CH2-CG 3.63Å; W884-Q928 HydrophobicContact CZ2-CB 4.04Å; W884-Q928 HydrophobicContact CZ2-CG 3.71Å; W884-Q928 HydrophobicContact CZ3-CB 4.11Å; W884-Q928 HydrophobicContact CZ3-CG 3.7Å; Q896-Q928 HydrophobicContact CG-CG 3.49Å; Q896-Q928 VanDerWaalsContact CG-CG 3.49Å; Q896-Q928 PolarHBondContact N-O 3.46Å; Q896-Q928 PolarHBondContact O-N 3.24Å
929	P	83.4	Confident	77.3	Confident	97 Å²	97	98.3 Å²	98.3	63%	0.63	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.9	145.8	174.2	27.8	-33.4	0	0	0	110.9	G894 T932	G894-P929 WeakPolarHBondContact O-CA 3.4Å; P929-T932 HydrophobicContact CB-CG2 4.31Å
930	C	82.4	Confident	76.4	Confident	11 Å²	11	103.2 Å²	103.2	7%	0.074	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-143.4	156.9	176.8	50.7	0	0	0	0	110.3	C887 G894 Q896 T932	C887-C930 WeakPolarHBondContact CA-SG 3.42Å; C887-C930 HydrophobicContact CB-CB 3.85Å; C887-C930 WeakPolarHBondContact CB-SG 3.26Å; C887-C930 VanDerWaalsContact SG-C 3.59Å; C887-C930 WeakPolarHBondContact SG-CB 3.2Å; C887-C930 CovalentContact SG-SG 2.01Å; C887-C930 PolarHBondContact SG-SG 3.08Å; G894-C930 CarbonylContact C-O 3.57Å; G894-C930 VanDerWaalsContact C-SG 3.55Å; G894-C930 PolarHBondContact N-O 2.99Å; G894-C930 PolarHBondContact O-N 3.25Å; Q896-C930 HydrophobicContact CB-CB 4.47Å; Q896-C930 HydrophobicContact CG-CB 4Å; Q896-C930 PolarHBondContact N-SG 3.1Å; C930-T932 PolarHBondContact O-N 3.46Å
931	H	77.9	Confident	75.6	Confident	87 Å²	87	105.9 Å²	105.9	40%	0.403	61%	0.607	S	S	.	*			trans	47.8	52.5	-179.7	-55.3	152.8	0	0	0	114.3	C887 R889 G893 Q933	C887-H931 WeakPolarHBondContact CB-ND1 3.34Å; C887-H931 PolarHBondContact SG-ND1 2.93Å; R889-H931 PolarHBondContact O-ND1 2.9Å; G893-H931 WeakPolarHBondContact CA-O 3.49Å; G893-H931 PolarHBondContact N-O 3.12Å; H931-Q933 PolarHBondContact O-N 3.06Å
932	T	73.6	Confident	75.5	Confident	113 Å²	113	102 Å²	102	69%	0.693	60%	0.598	S	S	*	*			trans	-73.8	2.3	-179.9	50.4	0	0	0	0	114.6	P929 C930	P929-T932 HydrophobicContact CB-CG2 4.31Å; C930-T932 PolarHBondContact O-N 3.46Å
933	Q	76.7	Confident	74.5	Confident	133 Å²	133	100.9 Å²	100.9	62%	0.621	60%	0.603	S	S	*	*	S	Bend	trans	-77.2	138	178.4	50.9	-157.6	1.2	0	0	112	G892 H931	G892-Q933 PolarHBondContact N-O 3.5Å; H931-Q933 PolarHBondContact O-N 3.06Å
934	A	71.9	Confident	73.7	Confident	96 Å²	96	110.5 Å²	110.5	79%	0.793	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.9	-177	0	0	0	0	0	111.7
935	C	73.4	Confident	73.1	Confident	64 Å²	64	113.7 Å²	113.7	43%	0.432	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-69.9	146.5	177	-63	0	0	0	0	110.8	C891 G892	C891-C935 HydrophobicContact CB-CB 4.04Å; C891-C935 WeakPolarHBondContact CB-SG 3.48Å; C891-C935 WeakPolarHBondContact SG-CB 3.24Å; C891-C935 CovalentContact SG-SG 2.04Å; C891-C935 PolarHBondContact SG-SG 3.21Å; G892-C935 PolarHBondContact N-SG 3.43Å
936	P	75.5	Confident	71.3	Confident	114 Å²	114	123.4 Å²	123.4	74%	0.74	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-58.6	142.8	176.8	-19.3	30.2	0	0	0	111.8
937	P	70.4	Confident	70.8	Confident	111 Å²	111	124.9 Å²	124.9	72%	0.721	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-68	135.5	179.9	26.4	-32.6	0	0	0	112
938	E	65.2	Low	70.1	Confident	197 Å²	197	126.7 Å²	126.7	92%	0.921	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-84.7	124.3	173.3	-124.5	178.6	178.6	0	0	109.4
939	W	63.2	Low	69.3	Low	245 Å²	245	130.1 Å²	130.1	93%	0.928	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-83.1	128.8	174.3	-66.6	90.6	0	0	0	109.9
940	S	63.3	Low	68.4	Low	115 Å²	115	132 Å²	132	80%	0.804	74%	0.743	S	S	*	*			trans	-116.5	133.8	168.6	59.1	0	0	0	0	110
941	S	63.3	Low	67.6	Low	127 Å²	127	139.6 Å²	139.6	89%	0.888	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.9	125.4	177.8	55.7	0	0	0	0	111.1
942	G	73.5	Confident	66.9	Low	71 Å²	71	143.1 Å²	143.1	73%	0.732	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-92.7	171.1	171.5	0	0	0	0	0	113.6
943	S	57.6	Low	66.4	Low	124 Å²	124	145.2 Å²	145.2	87%	0.867	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.5	141.1	-178.1	-13.4	0	0	0	0	113.1
944	W	62.6	Low	65.6	Low	257 Å²	257	146.2 Å²	146.2	97%	0.973	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.3	-179.8	-75.4	90.9	0	0	0	113.4
945	S	69.1	Low	65.1	Low	112 Å²	112	150.3 Å²	150.3	78%	0.783	84%	0.836	S	S	*	*			trans	-129.8	148.3	165.4	58.5	0	0	0	0	108.9
946	Q	43.9	Very low	64.3	Low	267 Å²	267	158.2 Å²	158.2	100%	1.248	87%	0.873	S	S	*	*			trans	-78.1	0	-170.4	-170.7	175.2	5.5	0	0	113.2

Retrieved 946 of 946 residues in 717.6 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).