A0A077YZ98_TRITR Loading...

Kunitz BPTI and Lustrin cystein domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ98, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,204 aa.

						>A0A077YZ98_TRITR|A0A077YZ98
MRFLHSYGTLRFLDGVGDTNEKCARPIAAGSGPYRVERWAYDTKSQSCTSFWFAGLGGNANNFPSLQQCEAACVNGTTKKLIALKCKQGIAIEFSHSLTIAFLYFQVPFASGLSICRLPLVVGVGSSRLARWYFDSRSSSCNPFTYTGLGGNENNFLELSHSKHECEAACPGKGRLRLQSIIDQPDICSQSHWCHIGATAVLSVCCPATDPCQLPLNRGNGNSVLVRWYYSANTKTCLSFSYTGRGGNQNNFLTSDDCKARCPVFDNPCSTGPPHIGLDGRITLCGVATPNICPNTYWCHVGTTLESSVCCPGASNPCELPKSTGKGAASLLRYYYDSATQRCNVFEYSGTAGNENNFMTLQDCEQRCPVFPNPCANGEPARDENEQIVACSVSDLDSCPGGYWCHVGADEQSTLCCPHADTVCMAPVEDGEGKYSLPRYYYNSLTKQCLPFTYSGSGGNRNNFLSLGDCESACPGQPATTSAGHYVLCTATNGQLCPANYWCHVGEPNSVSVCCPGGENPCLLPLESGDGDAMLVRWYFDRTSRRCNRFFYGGVRGNENNFVSKTDCMLRCPELQNPCHHGDPAVSAHGSLLQCDAENQEMCPVGYWCHIGADASTTLCCQEGNPCLLPMLPGEGDQKLKRWYFNQASRQCLEFTYTGRAGNQNNFQSEEECAGKCPVFENPCPDPKSGDKIIHCTGQTKDACPAGYWCHVGLTSATSVCCSGSRLHAQPCAEPLNEGENAWTATAPRWYFDLLERTCKPFFYSGAGGNSNNFLTKSECRLKCPEFVNPCARGEPYRELSTGMIRFCNQGSASTCPLGYWCHVGVNRDSTVCCPGGEKMCELPLSIGTGDATLNRWHFNAAAKRCVHFIYRGLGGNRNNFLSKKLCQEHCTGIFRSAACLNSSIRAPRGHHLRNSSQLAFKPIVATVDSTFPGGKACEQPQNAGLGPYTLRRWFYNKRSGACEPFIYHGTLGNANNFAAEELYSRNPCSGQPFRTTDGELICDDAAGMPCPKTYYCHTDADLSGGVCCHGMSDPCKYPIEVGIGMDNIKRWYFDATSRQCLSFVYSGLGGNANNFMTYSECTIRCKMISSRRCPYGEPYGSNEWEPNGCKAGCPLNYRCISMDGLDQYCCPDASTLSFCLDAICLLPIHRGYSHCKHVPQMRFAFHAPSGQCVPFEFSGCGGNLNNFDTIEFCQSQCELENNE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	24.5	Very low	248 Å²	248	182.9 Å²	182.9	100%	1.222	89%	0.892	S	S	*	*				0	125	0	-72.8	-118.9	-140.8	0	0	108.8	F3	M1-F3 PolarHBondContact O-N 3.48Å
2	R	25.7	Very low	24.5	Very low	242 Å²	242	183.2 Å²	183.2	91%	0.913	89%	0.885	S	S	*	*			trans	-79.6	105	-179.1	-70	172.6	172.9	172.9	-2.9	109.6
3	F	25.6	Very low	24.4	Very low	205 Å²	205	180.1 Å²	180.1	90%	0.899	88%	0.875	S	S	*	*			trans	-163.7	58.5	165.6	-104.7	-70.3	0	0	0	112.1	M1	M1-F3 PolarHBondContact O-N 3.48Å
4	L	26.6	Very low	24.3	Very low	175 Å²	175	179.8 Å²	179.8	92%	0.916	88%	0.88	S	S	*	*			trans	-150	72.9	162.1	-76.5	-179.7	0	0	0	109.5
5	H	23	Very low	24.3	Very low	196 Å²	196	173 Å²	173	91%	0.907	88%	0.875	S	S	*	*			trans	-138	79.9	167.5	-102.3	-72.4	0	0	0	108.3
6	S	23.7	Very low	24.6	Very low	100 Å²	100	171.7 Å²	171.7	70%	0.699	88%	0.877	S	S	*	*			trans	-171.3	69.1	166.5	57.2	0	0	0	0	111.8
7	Y	25.6	Very low	24.8	Very low	240 Å²	240	165.5 Å²	165.5	94%	0.941	87%	0.866	S	S	*	*			trans	-148.2	122.5	148.2	-84.1	-69.7	0	0	0	108.7
8	G	25.2	Very low	25.6	Very low	70 Å²	70	160.8 Å²	160.8	72%	0.722	84%	0.842	S	S	*	*			trans	-72.3	147.5	-172.5	0	0	0	0	0	113.6	L10	G8-L10 PolarHBondContact O-N 3.16Å; G8-L10 VanDerWaalsContact O-N 3.14Å
9	T	22.1	Very low	26.6	Very low	145 Å²	145	157.8 Å²	157.8	89%	0.89	83%	0.831	S	S	*	*			trans	-62.3	98.2	174.9	-36.5	0	0	0	0	111.2
10	L	21.9	Very low	27.9	Very low	153 Å²	153	154.7 Å²	154.7	80%	0.801	82%	0.815	S	S	*	*			trans	-83.7	120.4	167.4	-107.8	149.1	0	0	0	109.6	G8 F12	G8-L10 PolarHBondContact O-N 3.16Å; G8-L10 VanDerWaalsContact O-N 3.14Å; L10-F12 PolarHBondContact O-N 3.27Å
11	R	21.1	Very low	29.7	Very low	238 Å²	238	152.4 Å²	152.4	90%	0.898	80%	0.8	S	S	*	*			trans	-70.6	116.7	-179.3	-65.9	-175.7	-178.6	-171	1.8	110.7
12	F	23.8	Very low	31.9	Very low	186 Å²	186	145 Å²	145	82%	0.816	76%	0.761	S	S	*	*			trans	-118.4	90.6	164.6	-85.1	-88.2	0	0	0	109.3	L10	L10-F12 PolarHBondContact O-N 3.27Å
13	L	23.6	Very low	34.7	Very low	143 Å²	143	133.7 Å²	133.7	75%	0.749	72%	0.719	S	S	*	*			trans	-149.4	89	166.9	-75.3	178.6	0	0	0	107.8
14	D	22.4	Very low	37.4	Very low	176 Å²	176	127.2 Å²	127.2	94%	0.941	70%	0.703	S	S	*	*			trans	-170.9	108.5	151.5	-87.7	-28.2	0	0	0	106.7
15	G	25.1	Very low	40.2	Very low	78 Å²	78	123.4 Å²	123.4	80%	0.804	68%	0.677	S	S	*	*			trans	165.1	-11.6	179.5	0	0	0	0	0	117.3	G17	G15-G17 PolarHBondContact O-N 2.92Å
16	V	28.6	Very low	43.3	Very low	152 Å²	152	118.8 Å²	118.8	92%	0.921	66%	0.664	S	S	*	*			trans	-97.4	68.8	172.1	-169.7	0	0	0	0	109.4
17	G	28.6	Very low	46.5	Very low	67 Å²	67	117.2 Å²	117.2	69%	0.691	65%	0.647	S	S	*	*			trans	-106	147.8	171.9	0	0	0	0	0	111.8	G15	G15-G17 PolarHBondContact O-N 2.92Å
18	D	37.9	Very low	49.5	Very low	81 Å²	81	106.9 Å²	106.9	43%	0.433	61%	0.611	S	S	.	*			trans	106.9	9.5	139	-146	25	0	0	0	121.7	E21	D18-E21 WeakPolarHBondContact OD1-CB 3.35Å
19	T	45.2	Very low	52.3	Low	103 Å²	103	105.8 Å²	105.8	63%	0.632	60%	0.596	S	S	*	*	H	α-helix	trans	-80.6	-36.3	162.1	51.9	0	0	0	0	112.2	C23	T19-C23 PolarHBondContact O-SG 2.77Å; T19-C23 VanDerWaalsContact O-SG 3.39Å
20	N	52.6	Low	55.1	Low	95 Å²	95	100.6 Å²	100.6	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-79.1	-23.1	-178	-130.2	26.7	0	0	0	113.1	A24	N20-A24 WeakPolarHBondContact O-CB 3.21Å; N20-A24 PolarHBondContact O-N 3.5Å; N20-A24 VanDerWaalsContact O-N 3.1Å
21	E	66.5	Low	57.6	Low	108 Å²	108	97 Å²	97	51%	0.505	56%	0.559	S	S	.	*	H	α-helix	trans	-71.3	-38.5	-179.9	-135.2	-167.7	-128.8	0	0	111.1	D18 C23 A24 R25	D18-E21 WeakPolarHBondContact OD1-CB 3.35Å; E21-C23 PolarHBondContact O-N 2.72Å; E21-A24 PolarHBondContact O-N 3.33Å; E21-R25 WeakPolarHBondContact O-CG 3.17Å; E21-R25 PolarHBondContact O-N 2.8Å; E21-R25 IonicContact OE2-CZ 3.56Å; E21-R25 IonicContact OE2-NE 3.17Å; E21-R25 IonicContact OE2-NH2 3.49Å; E21-R25 PolarHBondContact OE2-NH2 3Å
22	K	75.1	Confident	60.1	Low	92 Å²	92	87.6 Å²	87.6	40%	0.4	54%	0.536	S	S	.	.	H	α-helix	trans	-57.7	-48.7	174.8	-59.1	-173.3	180	-179.2	0	111.2	A24 R25 A60 N61	K22-A24 VanDerWaalsContact C-N 3.28Å; K22-A24 PolarHBondContact O-N 2.81Å; K22-R25 PolarHBondContact O-N 3.05Å; K22-A60 HydrophobicContact CB-CB 3.97Å; K22-A60 HydrophobicContact CD-CB 3.93Å; K22-A60 HydrophobicContact CG-CB 3.61Å; K22-N61 WeakPolarHBondContact O-CB 3.37Å
23	C	83.5	Confident	62.4	Low	5 Å²	5	84.2 Å²	84.2	3%	0.034	53%	0.533	C	S	.	.	H	α-helix	trans	-70.9	-22.2	-178.4	-52.6	0	0	0	0	113.5	T19 E21 Y41 C73	T19-C23 PolarHBondContact O-SG 2.77Å; T19-C23 VanDerWaalsContact O-SG 3.39Å; E21-C23 PolarHBondContact O-N 2.72Å; C23-Y41 HydrophobicContact CB-CD1 4.17Å; C23-Y41 HydrophobicContact CB-CG 4.47Å; C23-C73 HydrophobicContact CB-CB 3.68Å; C23-C73 WeakPolarHBondContact CB-SG 3.4Å; C23-C73 WeakPolarHBondContact SG-CA 3.04Å; C23-C73 WeakPolarHBondContact SG-CB 3.34Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 2.05Å
24	A	82.8	Confident	64.2	Low	68 Å²	68	84.1 Å²	84.1	56%	0.562	52%	0.523	S	S	*	.	H	α-helix	trans	-83.7	-12.9	176.7	0	0	0	0	0	113.4	N20 E21 K22	N20-A24 WeakPolarHBondContact O-CB 3.21Å; N20-A24 PolarHBondContact O-N 3.5Å; N20-A24 VanDerWaalsContact O-N 3.1Å; E21-A24 PolarHBondContact O-N 3.33Å; K22-A24 VanDerWaalsContact C-N 3.28Å; K22-A24 PolarHBondContact O-N 2.81Å
25	R	86.7	Confident	66.9	Low	96 Å²	96	85.4 Å²	85.4	36%	0.362	52%	0.515	S	S	.	.	S	Bend	trans	-72.8	147.6	179	-73.9	169.2	-170.8	-144.8	4.7	111	E21 K22 N61	E21-R25 WeakPolarHBondContact O-CG 3.17Å; E21-R25 PolarHBondContact O-N 2.8Å; E21-R25 IonicContact OE2-CZ 3.56Å; E21-R25 IonicContact OE2-NE 3.17Å; E21-R25 IonicContact OE2-NH2 3.49Å; E21-R25 PolarHBondContact OE2-NH2 3Å; K22-R25 PolarHBondContact O-N 3.05Å; R25-N61 HydrophobicContact CB-CB 4.19Å; R25-N61 PolarHBondContact O-ND2 3.47Å
26	P	87.9	Confident	69.7	Low	98 Å²	98	84.6 Å²	84.6	64%	0.636	49%	0.494	S	S	*	.			trans	-65.1	155	179.8	26.7	-34.5	0	0	0	111.9	A28 N59	P26-A28 PolarHBondContact O-N 3.24Å; P26-A28 VanDerWaalsContact O-N 3.13Å; P26-N59 PolarHBondContact O-ND2 3.17Å; P26-N59 PolarHBondContact O-OD1 3.34Å
27	I	90	Very high	72.6	Confident	67 Å²	67	82.1 Å²	82.1	34%	0.344	47%	0.473	S	S	.	.			trans	-67.4	113.2	173.1	-54.7	-176.9	0	0	0	108.8	A40 D42 F51	I27-A40 HydrophobicContact CB-CB 4.35Å; I27-A40 HydrophobicContact CD1-CB 4.02Å; I27-A40 HydrophobicContact CG1-CB 3.72Å; I27-A40 HydrophobicContact CG2-CB 4.02Å; I27-D42 HydrophobicContact CD1-CB 4.1Å; I27-F51 HydrophobicContact CG2-CB 3.88Å; I27-F51 HydrophobicContact CG2-CD1 3.75Å; I27-F51 HydrophobicContact CG2-CD2 3.74Å; I27-F51 HydrophobicContact CG2-CE1 4.19Å; I27-F51 HydrophobicContact CG2-CE2 4.17Å; I27-F51 HydrophobicContact CG2-CG 3.49Å; I27-F51 VanDerWaalsContact CG2-CG 3.49Å; I27-F51 HydrophobicContact CG2-CZ 4.37Å
28	A	89.2	Confident	75.7	Confident	23 Å²	23	82.4 Å²	82.4	19%	0.19	45%	0.453	C	S	.	.			trans	-109.8	99.7	-177.3	0	0	0	0	0	110.9	P26 G30 F51 N59	P26-A28 PolarHBondContact O-N 3.24Å; P26-A28 VanDerWaalsContact O-N 3.13Å; A28-G30 PolarHBondContact O-N 3.45Å; A28-F51 WeakPolarHBondContact O-CE2 3.22Å; A28-N59 HydrophobicContact CB-CB 4.48Å; A28-N59 VanDerWaalsContact CB-ND2 3.32Å; A28-N59 WeakPolarHBondContact CB-ND2 3.08Å
29	A	83.4	Confident	78.3	Confident	48 Å²	48	81.5 Å²	81.5	40%	0.397	44%	0.443	S	S	.	.			trans	-58.8	-27.3	173.7	0	0	0	0	0	112.6	F51 F53 A54	A29-F51 HydrophobicContact CB-CD2 4.44Å; A29-F53 CarbonylContact O-C 3.49Å; A29-F53 WeakPolarHBondContact O-CA 3.39Å; A29-F53 WeakPolarHBondContact O-CD2 3.43Å; A29-A54 WeakPolarHBondContact O-CB 3.42Å; A29-A54 PolarHBondContact O-N 3.37Å
30	G	81.7	Confident	80.6	Confident	35 Å²	35	76.6 Å²	76.6	36%	0.361	41%	0.413	S	S	.	.			trans	75.6	-169.5	-178.6	0	0	0	0	0	113.4	A28 L56	A28-G30 PolarHBondContact O-N 3.45Å; G30-L56 CarbonylContact C-O 3.53Å; G30-L56 WeakPolarHBondContact CA-O 3.46Å
31	S	74.4	Confident	82.4	Confident	78 Å²	78	74 Å²	74	55%	0.545	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-123.8	151.5	176.8	53.3	0	0	0	0	110.9	A54 L56	S31-A54 VanDerWaalsContact C-CB 3.47Å; S31-L56 PolarHBondContact N-O 2.92Å; S31-L56 WeakPolarHBondContact O-CA 3.32Å; S31-L56 WeakPolarHBondContact O-CB 3.26Å; S31-L56 PolarHBondContact O-N 3.41Å
32	G	73.9	Confident	83.6	Confident	41 Å²	41	70.8 Å²	70.8	42%	0.423	38%	0.383	S	S	.	.	S	Bend	trans	136.1	168	-179	0	0	0	0	0	113.3	Y34 A54	G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 PolarHBondContact O-N 3.48Å; G32-A54 CarbonylContact C-O 3.35Å; G32-A54 WeakPolarHBondContact CA-O 3.44Å
33	P	72.1	Confident	83.9	Confident	115 Å²	115	70.3 Å²	70.3	75%	0.747	39%	0.388	S	S	*	.	S	Bend	trans	-81.2	-6.3	-174.6	33	-35.7	0	0	0	113.7
34	Y	60.9	Low	83.8	Confident	141 Å²	141	79.1 Å²	79.1	55%	0.553	43%	0.426	S	S	*	.			trans	-86.2	158.6	-172.9	-56.1	-72	0	0	0	112	G32 A54	G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 PolarHBondContact O-N 3.48Å; Y34-A54 PolarHBondContact N-O 2.95Å; Y34-A54 VanDerWaalsContact O-CA 3.28Å; Y34-A54 WeakPolarHBondContact O-CA 3.43Å
35	R	79.9	Confident	84	Confident	202 Å²	202	78.6 Å²	78.6	76%	0.762	42%	0.418	S	S	*	.			trans	-132.9	93.9	168	-70.6	-170.1	-177	-148.9	2.2	107.9	W52	R35-W52 HydrophobicContact CB-CD2 4.44Å; R35-W52 HydrophobicContact CB-CE3 3.92Å
36	V	82.2	Confident	83.7	Confident	62 Å²	62	81.1 Å²	81.1	38%	0.376	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121	179.3	-176.3	0	0	0	0	108.8	R38 F53	V36-R38 HydrophobicContact CG1-CG 4.41Å; V36-R38 PolarHBondContact O-N 2.96Å; V36-F53 PolarHBondContact N-O 3.28Å; V36-F53 PolarHBondContact O-N 3.13Å
37	E	89.5	Confident	83.7	Confident	99 Å²	99	78.8 Å²	78.8	46%	0.463	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.5	175.8	-168.5	171.6	-149.2	0	0	109.7	W52	E37-W52 HydrophobicContact CB-CE3 4.02Å; E37-W52 HydrophobicContact CB-CH2 3.9Å; E37-W52 HydrophobicContact CB-CZ3 3.61Å; E37-W52 HydrophobicContact CG-CH2 4.5Å; E37-W52 VanDerWaalsContact N-CE3 3.35Å
38	R	93.6	Very high	83.8	Confident	74 Å²	74	76.2 Å²	76.2	28%	0.279	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	166.3	179.1	-66.8	-64.1	-177.9	91.7	-2.6	108.9	V36 S50 F51 F53 N62	V36-R38 HydrophobicContact CG1-CG 4.41Å; V36-R38 PolarHBondContact O-N 2.96Å; R38-S50 CarbonylContact O-C 3.59Å; R38-S50 WeakPolarHBondContact O-CA 3.37Å; R38-F51 HydrophobicContact CB-CD1 4.11Å; R38-F51 HydrophobicContact CB-CE1 3.58Å; R38-F51 HydrophobicContact CB-CZ 3.9Å; R38-F51 PolarHBondContact N-O 3.41Å; R38-F51 PolarHBondContact O-N 2.91Å; R38-F53 HydrophobicContact CB-CB 4.34Å; R38-F53 HydrophobicContact CG-CB 3.71Å; R38-F53 HydrophobicContact CG-CG 4.49Å; R38-N62 WeakPolarHBondContact CB-OD1 3.33Å; R38-N62 VanDerWaalsContact CD-OD1 3.3Å; R38-N62 WeakPolarHBondContact CD-OD1 3Å; R38-N62 WeakPolarHBondContact CG-OD1 2.87Å; R38-N62 PolarHBondContact NH1-OD1 3.1Å
39	W	93.5	Very high	83.9	Confident	62 Å²	62	77.2 Å²	77.2	24%	0.235	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.2	-179.8	-67.4	79.9	0	0	0	109.9	T49 N62 F63 S65 L66 C69	W39-T49 CarbonylContact C-O 3.41Å; W39-T49 WeakPolarHBondContact CA-O 3.41Å; W39-N62 CarbonylContact O-C 3.59Å; W39-F63 HydrophobicContact CB-CB 4.28Å; W39-F63 PolarHBondContact N-O 3.4Å; W39-F63 WeakPolarHBondContact O-CB 3.36Å; W39-F63 WeakPolarHBondContact O-CD2 3.37Å; W39-F63 PolarHBondContact O-N 3.29Å; W39-S65 VanDerWaalsContact CD1-C 3.48Å; W39-L66 HydrophobicContact CD2-CB 3.77Å; W39-L66 HydrophobicContact CD2-CD1 4.44Å; W39-L66 HydrophobicContact CE3-CB 3.79Å; W39-L66 HydrophobicContact CE3-CD1 3.64Å; W39-L66 HydrophobicContact CE3-CG 4.23Å; W39-L66 HydrophobicContact CG-CB 4.42Å; W39-L66 HydrophobicContact CH2-CB 4.04Å; W39-L66 HydrophobicContact CH2-CD1 4.4Å; W39-L66 HydrophobicContact CH2-CD2 4.17Å; W39-L66 HydrophobicContact CH2-CG 4.43Å; W39-L66 HydrophobicContact CZ2-CB 4.02Å; W39-L66 HydrophobicContact CZ3-CB 3.93Å; W39-L66 HydrophobicContact CZ3-CD1 3.62Å; W39-L66 HydrophobicContact CZ3-CD2 4.17Å; W39-L66 HydrophobicContact CZ3-CG 4.1Å; W39-C69 HydrophobicContact CB-CB 4.15Å
40	A	93	Very high	84.4	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148	177.7	0	0	0	0	0	109.8	I27 D42 C48 T49 F51 N61 C69	I27-A40 HydrophobicContact CB-CB 4.35Å; I27-A40 HydrophobicContact CD1-CB 4.02Å; I27-A40 HydrophobicContact CG1-CB 3.72Å; I27-A40 HydrophobicContact CG2-CB 4.02Å; A40-D42 PolarHBondContact O-N 2.86Å; A40-C48 CarbonylContact O-C 3.58Å; A40-C48 WeakPolarHBondContact O-CA 3.37Å; A40-T49 PolarHBondContact N-O 3.37Å; A40-T49 PolarHBondContact O-N 3.45Å; A40-F51 HydrophobicContact CB-CD1 3.82Å; A40-F51 HydrophobicContact CB-CE1 3.68Å; A40-N61 WeakPolarHBondContact CB-O 3.04Å; A40-C69 VanDerWaalsContact C-SG 3.59Å
41	Y	91.8	Very high	84.9	Confident	41 Å²	41	77.1 Å²	77.1	16%	0.161	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115	175.2	-173.3	-104.1	0	0	0	109.5	C23 T43 Q46 N61 C69 C73 V74	C23-Y41 HydrophobicContact CB-CD1 4.17Å; C23-Y41 HydrophobicContact CB-CG 4.47Å; Y41-T43 HydrophobicContact CD1-CG2 4.06Å; Y41-T43 HydrophobicContact CE1-CG2 4.15Å; Y41-Q46 WeakPolarHBondContact OH-CA 3.04Å; Y41-N61 PolarHBondContact N-OD1 2.86Å; Y41-N61 PolarHBondContact O-ND2 2.81Å; Y41-C69 PolarHBondContact N-SG 2.03Å; Y41-C73 HydrophobicContact CD1-CB 4.27Å; Y41-C73 HydrophobicContact CD2-CB 3.57Å; Y41-C73 HydrophobicContact CE2-CB 4.26Å; Y41-C73 HydrophobicContact CG-CB 3.57Å; Y41-V74 HydrophobicContact CD2-CG2 4.17Å; Y41-V74 HydrophobicContact CE2-CG2 3.88Å
42	D	90.2	Very high	85.6	Confident	40 Å²	40	80.1 Å²	80.1	21%	0.214	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.9	173.9	173.2	20.6	0	0	0	109	I27 A40 K44 S45 Q46 S47 T49	I27-D42 HydrophobicContact CD1-CB 4.1Å; A40-D42 PolarHBondContact O-N 2.86Å; D42-K44 PolarHBondContact O-N 2.74Å; D42-K44 WeakPolarHBondContact OD1-CB 3.47Å; D42-K44 PolarHBondContact OD1-N 2.85Å; D42-S45 WeakPolarHBondContact CB-OG 3.46Å; D42-S45 VanDerWaalsContact CG-OG 3.3Å; D42-S45 PolarHBondContact O-N 3.16Å; D42-S45 VanDerWaalsContact OD2-CB 3.29Å; D42-S45 WeakPolarHBondContact OD2-CB 3.23Å; D42-S45 PolarHBondContact OD2-N 3.4Å; D42-S45 VanDerWaalsContact OD2-N 3.16Å; D42-S45 PolarHBondContact OD2-OG 2.65Å; D42-Q46 VanDerWaalsContact O-CA 3.28Å; D42-Q46 WeakPolarHBondContact O-CA 3.28Å; D42-Q46 PolarHBondContact O-N 3.25Å; D42-S47 PolarHBondContact N-O 3.35Å; D42-S47 PolarHBondContact O-N 3.28Å; D42-T49 HydrophobicContact CB-CG2 4.32Å
43	T	81.9	Confident	86.1	Confident	81 Å²	81	79.2 Å²	79.2	50%	0.497	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	179.2	53.9	0	0	0	0	113.1	Y41	Y41-T43 HydrophobicContact CD1-CG2 4.06Å; Y41-T43 HydrophobicContact CE1-CG2 4.15Å
44	K	82.3	Confident	86.5	Confident	191 Å²	191	74.4 Å²	74.4	83%	0.83	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-50.4	176.1	-65	-175.7	179.3	-179.5	0	112	D42 Q46	D42-K44 PolarHBondContact O-N 2.74Å; D42-K44 WeakPolarHBondContact OD1-CB 3.47Å; D42-K44 PolarHBondContact OD1-N 2.85Å; K44-Q46 VanDerWaalsContact C-N 3.26Å
45	S	85.4	Confident	86.8	Confident	57 Å²	57	68.9 Å²	68.9	40%	0.399	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.8	175.1	61.1	0	0	0	0	113.6	D42 S47	D42-S45 WeakPolarHBondContact CB-OG 3.46Å; D42-S45 VanDerWaalsContact CG-OG 3.3Å; D42-S45 PolarHBondContact O-N 3.16Å; D42-S45 VanDerWaalsContact OD2-CB 3.29Å; D42-S45 WeakPolarHBondContact OD2-CB 3.23Å; D42-S45 PolarHBondContact OD2-N 3.4Å; D42-S45 VanDerWaalsContact OD2-N 3.16Å; D42-S45 PolarHBondContact OD2-OG 2.65Å; S45-S47 PolarHBondContact O-N 3.04Å; S45-S47 PolarHBondContact OG-OG 3.45Å
46	Q	80.9	Confident	86.5	Confident	148 Å²	148	64.1 Å²	64.1	69%	0.692	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	33.3	-172.7	-59.3	-170.5	-25.7	0	0	112.8	Y41 D42 K44	Y41-Q46 WeakPolarHBondContact OH-CA 3.04Å; D42-Q46 VanDerWaalsContact O-CA 3.28Å; D42-Q46 WeakPolarHBondContact O-CA 3.28Å; D42-Q46 PolarHBondContact O-N 3.25Å; K44-Q46 VanDerWaalsContact C-N 3.26Å
47	S	87.9	Confident	86	Confident	49 Å²	49	64.3 Å²	64.3	34%	0.343	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.1	-175.7	74.4	0	0	0	0	111.3	D42 S45	D42-S47 PolarHBondContact N-O 3.35Å; D42-S47 PolarHBondContact O-N 3.28Å; S45-S47 PolarHBondContact O-N 3.04Å; S45-S47 PolarHBondContact OG-OG 3.45Å
48	C	92.8	Very high	85.3	Confident	13 Å²	13	61.2 Å²	61.2	9%	0.088	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.1	173.7	-75	0	0	0	0	110.1	A40 L66 C69 E70	A40-C48 CarbonylContact O-C 3.58Å; A40-C48 WeakPolarHBondContact O-CA 3.37Å; C48-L66 HydrophobicContact CB-CD1 3.57Å; C48-C69 HydrophobicContact CB-CB 3.72Å; C48-C69 WeakPolarHBondContact CB-SG 2.99Å; C48-C69 WeakPolarHBondContact SG-CB 3.36Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.12Å; C48-E70 HydrophobicContact CB-CG 4.31Å; C48-E70 PolarHBondContact SG-N 2.67Å
49	T	91.7	Very high	85	Confident	45 Å²	45	59.5 Å²	59.5	28%	0.276	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.6	-178.8	56.1	0	0	0	0	110.7	W39 A40 D42	W39-T49 CarbonylContact C-O 3.41Å; W39-T49 WeakPolarHBondContact CA-O 3.41Å; A40-T49 PolarHBondContact N-O 3.37Å; A40-T49 PolarHBondContact O-N 3.45Å; D42-T49 HydrophobicContact CB-CG2 4.32Å
50	S	93.1	Very high	84.6	Confident	59 Å²	59	58.2 Å²	58.2	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.3	176	65.6	0	0	0	0	111.5	R38	R38-S50 CarbonylContact O-C 3.59Å; R38-S50 WeakPolarHBondContact O-CA 3.37Å
51	F	92.3	Very high	84.5	Confident	22 Å²	22	58.3 Å²	58.3	10%	0.096	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.4	172.8	78.1	-75	0	0	0	110.9	I27 A28 A29 R38 A40 F53 N62	I27-F51 HydrophobicContact CG2-CB 3.88Å; I27-F51 HydrophobicContact CG2-CD1 3.75Å; I27-F51 HydrophobicContact CG2-CD2 3.74Å; I27-F51 HydrophobicContact CG2-CE1 4.19Å; I27-F51 HydrophobicContact CG2-CE2 4.17Å; I27-F51 HydrophobicContact CG2-CG 3.49Å; I27-F51 VanDerWaalsContact CG2-CG 3.49Å; I27-F51 HydrophobicContact CG2-CZ 4.37Å; A28-F51 WeakPolarHBondContact O-CE2 3.22Å; A29-F51 HydrophobicContact CB-CD2 4.44Å; R38-F51 HydrophobicContact CB-CD1 4.11Å; R38-F51 HydrophobicContact CB-CE1 3.58Å; R38-F51 HydrophobicContact CB-CZ 3.9Å; R38-F51 PolarHBondContact N-O 3.41Å; R38-F51 PolarHBondContact O-N 2.91Å; A40-F51 HydrophobicContact CB-CD1 3.82Å; A40-F51 HydrophobicContact CB-CE1 3.68Å; F51-F53 HydrophobicContact CE2-CB 3.95Å; F51-F53 HydrophobicContact CE2-CD2 4.19Å; F51-F53 HydrophobicContact CZ-CB 4.33Å; F51-N62 HydrophobicContact CZ-CB 4.1Å
52	W	87.9	Confident	84.4	Confident	141 Å²	141	57.7 Å²	57.7	53%	0.534	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.4	177.5	-64	102	0	0	0	110.6	R35 E37	R35-W52 HydrophobicContact CB-CD2 4.44Å; R35-W52 HydrophobicContact CB-CE3 3.92Å; E37-W52 HydrophobicContact CB-CE3 4.02Å; E37-W52 HydrophobicContact CB-CH2 3.9Å; E37-W52 HydrophobicContact CB-CZ3 3.61Å; E37-W52 HydrophobicContact CG-CH2 4.5Å; E37-W52 VanDerWaalsContact N-CE3 3.35Å
53	F	85	Confident	84.4	Confident	21 Å²	21	56.9 Å²	56.9	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.8	176	-176.2	-120.3	0	0	0	111.2	A29 V36 R38 F51 G55 N62	A29-F53 CarbonylContact O-C 3.49Å; A29-F53 WeakPolarHBondContact O-CA 3.39Å; A29-F53 WeakPolarHBondContact O-CD2 3.43Å; V36-F53 PolarHBondContact N-O 3.28Å; V36-F53 PolarHBondContact O-N 3.13Å; R38-F53 HydrophobicContact CB-CB 4.34Å; R38-F53 HydrophobicContact CG-CB 3.71Å; R38-F53 HydrophobicContact CG-CG 4.49Å; F51-F53 HydrophobicContact CE2-CB 3.95Å; F51-F53 HydrophobicContact CE2-CD2 4.19Å; F51-F53 HydrophobicContact CZ-CB 4.33Å; F53-G55 VanDerWaalsContact C-N 3.27Å; F53-G55 VanDerWaalsContact CE1-C 3.46Å; F53-G55 VanDerWaalsContact CE1-CA 3.47Å; F53-G55 WeakPolarHBondContact CE1-O 3.38Å; F53-G55 VanDerWaalsContact CZ-C 3.49Å; F53-G55 PolarHBondContact O-N 3.4Å; F53-N62 WeakPolarHBondContact CD2-ND2 3.26Å; F53-N62 WeakPolarHBondContact CG-ND2 3.04Å
54	A	80	Confident	84.6	Confident	14 Å²	14	57.1 Å²	57.1	12%	0.116	33%	0.334	C	S	.	.			trans	-78.5	-7.2	-173.5	0	0	0	0	0	114.6	A29 S31 G32 Y34	A29-A54 WeakPolarHBondContact O-CB 3.42Å; A29-A54 PolarHBondContact O-N 3.37Å; S31-A54 VanDerWaalsContact C-CB 3.47Å; G32-A54 CarbonylContact C-O 3.35Å; G32-A54 WeakPolarHBondContact CA-O 3.44Å; Y34-A54 PolarHBondContact N-O 2.95Å; Y34-A54 VanDerWaalsContact O-CA 3.28Å; Y34-A54 WeakPolarHBondContact O-CA 3.43Å
55	G	68.4	Low	84.7	Confident	26 Å²	26	49.9 Å²	49.9	27%	0.268	31%	0.308	S	S	.	.	S	Bend	trans	104.7	-27.4	175.2	0	0	0	0	0	114.7	F53	F53-G55 VanDerWaalsContact C-N 3.27Å; F53-G55 VanDerWaalsContact CE1-C 3.46Å; F53-G55 VanDerWaalsContact CE1-CA 3.47Å; F53-G55 WeakPolarHBondContact CE1-O 3.38Å; F53-G55 VanDerWaalsContact CZ-C 3.49Å; F53-G55 PolarHBondContact O-N 3.4Å
56	L	74	Confident	84.7	Confident	101 Å²	101	50.1 Å²	50.1	53%	0.529	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-128	153.2	178.1	-56.9	159.7	0	0	0	111.7	G30 S31 G58	G30-L56 CarbonylContact C-O 3.53Å; G30-L56 WeakPolarHBondContact CA-O 3.46Å; S31-L56 PolarHBondContact N-O 2.92Å; S31-L56 WeakPolarHBondContact O-CA 3.32Å; S31-L56 WeakPolarHBondContact O-CB 3.26Å; S31-L56 PolarHBondContact O-N 3.41Å; L56-G58 PolarHBondContact O-N 2.83Å
57	G	71.5	Confident	84.5	Confident	66 Å²	66	50.4 Å²	50.4	68%	0.68	31%	0.306	S	S	*	.	S	Bend	trans	74.9	18.8	168.9	0	0	0	0	0	116.2
58	G	74.7	Confident	83.9	Confident	34 Å²	34	52.8 Å²	52.8	35%	0.351	31%	0.311	S	S	.	.			trans	-75.7	166.2	171.9	0	0	0	0	0	112.2	L56	L56-G58 PolarHBondContact O-N 2.83Å
59	N	86.8	Confident	83.6	Confident	39 Å²	39	52.2 Å²	52.2	21%	0.209	31%	0.307	C	S	.	.			trans	-112.8	-176.1	170.4	66.5	44.1	0	0	0	110.7	P26 A28 N61 N62	P26-N59 PolarHBondContact O-ND2 3.17Å; P26-N59 PolarHBondContact O-OD1 3.34Å; A28-N59 HydrophobicContact CB-CB 4.48Å; A28-N59 VanDerWaalsContact CB-ND2 3.32Å; A28-N59 WeakPolarHBondContact CB-ND2 3.08Å; N59-N61 PolarHBondContact O-N 2.87Å; N59-N61 WeakPolarHBondContact OD1-CB 3.23Å; N59-N61 PolarHBondContact OD1-N 2.7Å; N59-N62 VanDerWaalsContact O-CB 3.3Å; N59-N62 WeakPolarHBondContact O-CB 3.09Å
60	A	84.9	Confident	83.3	Confident	35 Å²	35	53.6 Å²	53.6	29%	0.289	31%	0.311	S	S	.	.	S	Bend	trans	-73	-8.6	-173.8	0	0	0	0	0	114.7	K22 N62	K22-A60 HydrophobicContact CB-CB 3.97Å; K22-A60 HydrophobicContact CD-CB 3.93Å; K22-A60 HydrophobicContact CG-CB 3.61Å; A60-N62 PolarHBondContact O-N 2.9Å
61	N	91.5	Very high	82	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	32%	0.315	C	S	.	.			trans	-80.9	58.4	169.5	-158.9	4.1	0	0	0	110.1	K22 R25 A40 Y41 N59	K22-N61 WeakPolarHBondContact O-CB 3.37Å; R25-N61 HydrophobicContact CB-CB 4.19Å; R25-N61 PolarHBondContact O-ND2 3.47Å; A40-N61 WeakPolarHBondContact CB-O 3.04Å; Y41-N61 PolarHBondContact N-OD1 2.86Å; Y41-N61 PolarHBondContact O-ND2 2.81Å; N59-N61 PolarHBondContact O-N 2.87Å; N59-N61 WeakPolarHBondContact OD1-CB 3.23Å; N59-N61 PolarHBondContact OD1-N 2.7Å
62	N	90.2	Very high	81.1	Confident	28 Å²	28	54.4 Å²	54.4	15%	0.15	33%	0.325	C	S	.	.			trans	-150.4	101.5	-172.8	-179	-22.5	0	0	0	108.7	R38 W39 F51 F53 N59 A60	R38-N62 WeakPolarHBondContact CB-OD1 3.33Å; R38-N62 VanDerWaalsContact CD-OD1 3.3Å; R38-N62 WeakPolarHBondContact CD-OD1 3Å; R38-N62 WeakPolarHBondContact CG-OD1 2.87Å; R38-N62 PolarHBondContact NH1-OD1 3.1Å; W39-N62 CarbonylContact O-C 3.59Å; F51-N62 HydrophobicContact CZ-CB 4.1Å; F53-N62 WeakPolarHBondContact CD2-ND2 3.26Å; F53-N62 WeakPolarHBondContact CG-ND2 3.04Å; N59-N62 VanDerWaalsContact O-CB 3.3Å; N59-N62 WeakPolarHBondContact O-CB 3.09Å; A60-N62 PolarHBondContact O-N 2.9Å
63	F	89.7	Confident	80.8	Confident	24 Å²	24	48 Å²	48	11%	0.105	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-111.1	145.7	-173.8	-59.4	-84.2	0	0	0	110.8	W39 S65 C69 A72	W39-F63 HydrophobicContact CB-CB 4.28Å; W39-F63 PolarHBondContact N-O 3.4Å; W39-F63 WeakPolarHBondContact O-CB 3.36Å; W39-F63 WeakPolarHBondContact O-CD2 3.37Å; W39-F63 PolarHBondContact O-N 3.29Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.35Å; F63-C69 HydrophobicContact CB-CB 3.89Å; F63-C69 HydrophobicContact CD2-CB 3.59Å; F63-C69 HydrophobicContact CE2-CB 4.28Å; F63-C69 HydrophobicContact CG-CB 3.76Å; F63-A72 HydrophobicContact CE1-CB 3.65Å; F63-A72 HydrophobicContact CZ-CB 3.89Å
64	P	84.9	Confident	80.3	Confident	86 Å²	86	49.7 Å²	49.7	56%	0.558	31%	0.313	S	S	*	.	S	Bend	trans	-67.8	-25	177.5	-15	24.2	0	0	0	114.5
65	S	84.4	Confident	79.4	Confident	38 Å²	38	54 Å²	54	27%	0.266	34%	0.335	S	S	.	.	S	Bend	trans	-149.3	155.9	-173.5	62.2	0	0	0	0	111.8	W39 F63 Q67 Q68 C69	W39-S65 VanDerWaalsContact CD1-C 3.48Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.35Å; S65-Q67 VanDerWaalsContact C-N 3.32Å; S65-Q67 PolarHBondContact O-N 3.22Å; S65-Q68 PolarHBondContact O-N 3.06Å; S65-Q68 WeakPolarHBondContact OG-CG 3.4Å; S65-Q68 PolarHBondContact OG-N 3.48Å; S65-Q68 PolarHBondContact OG-OE1 3.22Å; S65-Q68 VanDerWaalsContact OG-OE1 3.11Å; S65-C69 PolarHBondContact O-N 3.08Å
66	L	85.6	Confident	78.4	Confident	62 Å²	62	53.8 Å²	53.8	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-54	-48	173.8	174.9	58.3	0	0	0	111.5	W39 C48 Q68 C69 E70	W39-L66 HydrophobicContact CD2-CB 3.77Å; W39-L66 HydrophobicContact CD2-CD1 4.44Å; W39-L66 HydrophobicContact CE3-CB 3.79Å; W39-L66 HydrophobicContact CE3-CD1 3.64Å; W39-L66 HydrophobicContact CE3-CG 4.23Å; W39-L66 HydrophobicContact CG-CB 4.42Å; W39-L66 HydrophobicContact CH2-CB 4.04Å; W39-L66 HydrophobicContact CH2-CD1 4.4Å; W39-L66 HydrophobicContact CH2-CD2 4.17Å; W39-L66 HydrophobicContact CH2-CG 4.43Å; W39-L66 HydrophobicContact CZ2-CB 4.02Å; W39-L66 HydrophobicContact CZ3-CB 3.93Å; W39-L66 HydrophobicContact CZ3-CD1 3.62Å; W39-L66 HydrophobicContact CZ3-CD2 4.17Å; W39-L66 HydrophobicContact CZ3-CG 4.1Å; C48-L66 HydrophobicContact CB-CD1 3.57Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 3.47Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 2.97Å; L66-C69 VanDerWaalsContact O-N 3.11Å; L66-E70 HydrophobicContact CD1-CG 3.87Å; L66-E70 HydrophobicContact CG-CG 4.32Å; L66-E70 WeakPolarHBondContact O-CG 3.25Å; L66-E70 PolarHBondContact O-N 2.85Å
67	Q	76.3	Confident	76.7	Confident	155 Å²	155	53.2 Å²	53.2	72%	0.724	33%	0.333	S	S	*	.	H	α-helix	trans	-57.4	-40.9	-178.9	-110.7	174.8	3.3	0	0	113.3	S65 A71	S65-Q67 VanDerWaalsContact C-N 3.32Å; S65-Q67 PolarHBondContact O-N 3.22Å; Q67-A71 VanDerWaalsContact O-CB 3.27Å; Q67-A71 WeakPolarHBondContact O-CB 3.46Å; Q67-A71 PolarHBondContact O-N 3.29Å
68	Q	76.2	Confident	75.1	Confident	99 Å²	99	54.3 Å²	54.3	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-71.5	-37.4	178.2	-76.3	169.5	-30	0	0	112.1	S65 L66 A72	S65-Q68 PolarHBondContact O-N 3.06Å; S65-Q68 WeakPolarHBondContact OG-CG 3.4Å; S65-Q68 PolarHBondContact OG-N 3.48Å; S65-Q68 PolarHBondContact OG-OE1 3.22Å; S65-Q68 VanDerWaalsContact OG-OE1 3.11Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 3.47Å; Q68-A72 VanDerWaalsContact O-CB 3.31Å; Q68-A72 WeakPolarHBondContact O-CB 3.34Å; Q68-A72 PolarHBondContact O-N 2.63Å; Q68-A72 VanDerWaalsContact O-N 3.07Å
69	C	87.6	Confident	73.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-47	173.4	-178.6	0	0	0	0	111	W39 A40 Y41 C48 F63 S65 L66 A72 C73	W39-C69 HydrophobicContact CB-CB 4.15Å; A40-C69 VanDerWaalsContact C-SG 3.59Å; Y41-C69 PolarHBondContact N-SG 2.03Å; C48-C69 HydrophobicContact CB-CB 3.72Å; C48-C69 WeakPolarHBondContact CB-SG 2.99Å; C48-C69 WeakPolarHBondContact SG-CB 3.36Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.12Å; F63-C69 HydrophobicContact CB-CB 3.89Å; F63-C69 HydrophobicContact CD2-CB 3.59Å; F63-C69 HydrophobicContact CE2-CB 4.28Å; F63-C69 HydrophobicContact CG-CB 3.76Å; S65-C69 PolarHBondContact O-N 3.08Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 2.97Å; L66-C69 VanDerWaalsContact O-N 3.11Å; C69-A72 PolarHBondContact O-N 3.35Å; C69-C73 WeakPolarHBondContact O-CB 2.95Å; C69-C73 PolarHBondContact O-N 3.48Å
70	E	83.4	Confident	70.6	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.35	37%	0.368	S	S	.	.	I	π-helix	trans	-64.1	-44.1	178.9	-70.4	179.4	158.5	0	0	111.9	C48 L66 A72 V74 N75	C48-E70 HydrophobicContact CB-CG 4.31Å; C48-E70 PolarHBondContact SG-N 2.67Å; L66-E70 HydrophobicContact CD1-CG 3.87Å; L66-E70 HydrophobicContact CG-CG 4.32Å; L66-E70 WeakPolarHBondContact O-CG 3.25Å; L66-E70 PolarHBondContact O-N 2.85Å; E70-A72 VanDerWaalsContact C-N 3.29Å; E70-A72 PolarHBondContact O-N 3.11Å; E70-V74 HydrophobicContact CB-CB 4.28Å; E70-V74 HydrophobicContact CB-CG2 4.27Å; E70-V74 HydrophobicContact CG-CG2 4.16Å; E70-V74 CarbonylContact O-C 3.46Å; E70-V74 WeakPolarHBondContact O-CA 3.24Å; E70-V74 VanDerWaalsContact O-CB 3.3Å; E70-V74 WeakPolarHBondContact O-CB 3.06Å; E70-V74 PolarHBondContact O-N 3.21Å; E70-N75 PolarHBondContact O-N 2.96Å
71	A	67.1	Low	68.1	Low	61 Å²	61	69.9 Å²	69.9	50%	0.504	38%	0.38	S	S	.	.	I	π-helix	trans	-61.1	-38	177.1	0	0	0	0	0	112.5	Q67	Q67-A71 VanDerWaalsContact O-CB 3.27Å; Q67-A71 WeakPolarHBondContact O-CB 3.46Å; Q67-A71 PolarHBondContact O-N 3.29Å
72	A	72.5	Confident	65.3	Low	36 Å²	36	73.6 Å²	73.6	30%	0.298	40%	0.399	S	S	.	.	I	π-helix	trans	-78.1	-47.4	-179.6	0	0	0	0	0	112.8	F63 Q68 C69 E70	F63-A72 HydrophobicContact CE1-CB 3.65Å; F63-A72 HydrophobicContact CZ-CB 3.89Å; Q68-A72 VanDerWaalsContact O-CB 3.31Å; Q68-A72 WeakPolarHBondContact O-CB 3.34Å; Q68-A72 PolarHBondContact O-N 2.63Å; Q68-A72 VanDerWaalsContact O-N 3.07Å; C69-A72 PolarHBondContact O-N 3.35Å; E70-A72 VanDerWaalsContact C-N 3.29Å; E70-A72 PolarHBondContact O-N 3.11Å
73	C	82.2	Confident	62.5	Low	6 Å²	6	75.3 Å²	75.3	4%	0.041	42%	0.418	C	S	.	.	I	π-helix	trans	-107	-33.5	-165.8	-59.9	0	0	0	0	114.3	C23 Y41 C69	C23-C73 HydrophobicContact CB-CB 3.68Å; C23-C73 WeakPolarHBondContact CB-SG 3.4Å; C23-C73 WeakPolarHBondContact SG-CA 3.04Å; C23-C73 WeakPolarHBondContact SG-CB 3.34Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 2.05Å; Y41-C73 HydrophobicContact CD1-CB 4.27Å; Y41-C73 HydrophobicContact CD2-CB 3.57Å; Y41-C73 HydrophobicContact CE2-CB 4.26Å; Y41-C73 HydrophobicContact CG-CB 3.57Å; C69-C73 WeakPolarHBondContact O-CB 2.95Å; C69-C73 PolarHBondContact O-N 3.48Å
74	V	74.2	Confident	59.7	Low	58 Å²	58	79.7 Å²	79.7	35%	0.352	44%	0.442	S	S	.	.	I	π-helix	trans	-87.4	-47.7	-179	-179.6	0	0	0	0	110.5	Y41 E70 T77	Y41-V74 HydrophobicContact CD2-CG2 4.17Å; Y41-V74 HydrophobicContact CE2-CG2 3.88Å; E70-V74 HydrophobicContact CB-CB 4.28Å; E70-V74 HydrophobicContact CB-CG2 4.27Å; E70-V74 HydrophobicContact CG-CG2 4.16Å; E70-V74 CarbonylContact O-C 3.46Å; E70-V74 WeakPolarHBondContact O-CA 3.24Å; E70-V74 VanDerWaalsContact O-CB 3.3Å; E70-V74 WeakPolarHBondContact O-CB 3.06Å; E70-V74 PolarHBondContact O-N 3.21Å; V74-T77 PolarHBondContact O-OG1 2.9Å
75	N	61	Low	57.1	Low	105 Å²	105	78.3 Å²	78.3	56%	0.561	43%	0.427	S	S	*	.	S	Bend	trans	-91.2	-11.3	-177	-69.2	-21.5	0	0	0	113.8	E70 T77 T78	E70-N75 PolarHBondContact O-N 2.96Å; N75-T77 VanDerWaalsContact C-N 3.33Å; N75-T77 PolarHBondContact O-N 3.19Å; N75-T78 PolarHBondContact O-OG1 2.84Å
76	G	47	Very low	54.5	Low	21 Å²	21	80.1 Å²	80.1	22%	0.216	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.9	-175.8	0	0	0	0	0	115	T78 K79	G76-T78 PolarHBondContact O-N 3.26Å; G76-K79 PolarHBondContact O-N 3.13Å
77	T	39.1	Very low	51.9	Low	89 Å²	89	85 Å²	85	55%	0.546	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.9	178.5	29.6	0	0	0	0	113	V74 N75 K79	V74-T77 PolarHBondContact O-OG1 2.9Å; N75-T77 VanDerWaalsContact C-N 3.33Å; N75-T77 PolarHBondContact O-N 3.19Å; T77-K79 VanDerWaalsContact C-N 3.32Å; T77-K79 PolarHBondContact O-N 2.99Å
78	T	37.3	Very low	49.7	Very low	88 Å²	88	84 Å²	84	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-28.4	179.3	-41.4	0	0	0	0	112.9	N75 G76 K80 L81 I82	N75-T78 PolarHBondContact O-OG1 2.84Å; G76-T78 PolarHBondContact O-N 3.26Å; T78-K80 PolarHBondContact O-N 2.68Å; T78-L81 PolarHBondContact O-N 3.26Å; T78-I82 HydrophobicContact CG2-CD1 4.49Å
79	K	35.2	Very low	47.4	Very low	170 Å²	170	82.7 Å²	82.7	74%	0.739	47%	0.465	S	S	*	.	H	α-helix	trans	-68.1	-29.3	-178.2	-76.9	-176.3	176.2	178	0	113.8	G76 T77 A83	G76-K79 PolarHBondContact O-N 3.13Å; T77-K79 VanDerWaalsContact C-N 3.32Å; T77-K79 PolarHBondContact O-N 2.99Å; K79-A83 PolarHBondContact O-N 3.44Å
80	K	32.6	Very low	44.6	Very low	159 Å²	159	86.9 Å²	86.9	69%	0.691	49%	0.487	S	S	*	.	H	α-helix	trans	-71.1	-31.6	178.8	-106.9	-175.1	178.7	-179.7	0	113	T78 L84	T78-K80 PolarHBondContact O-N 2.68Å; K80-L84 PolarHBondContact O-N 3.31Å
81	L	31.9	Very low	41.9	Very low	106 Å²	106	87.7 Å²	87.7	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-74.5	-34.6	-179.2	-156.9	74.4	0	0	0	111.9	T78 K85	T78-L81 PolarHBondContact O-N 3.26Å; L81-K85 PolarHBondContact O-N 2.77Å
82	I	33.9	Very low	40	Very low	79 Å²	79	88.5 Å²	88.5	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-68.2	-45.1	178.3	-60.2	169.3	0	0	0	110.4	T78 L84 K85 C86	T78-I82 HydrophobicContact CG2-CD1 4.49Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 2.82Å; I82-K85 PolarHBondContact O-N 3.34Å; I82-C86 PolarHBondContact O-N 2.93Å; I82-C86 VanDerWaalsContact O-N 3.08Å
83	A	31.1	Very low	37.7	Very low	65 Å²	65	94.6 Å²	94.6	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-33.9	179.1	0	0	0	0	0	113.1	K79	K79-A83 PolarHBondContact O-N 3.44Å
84	L	30.4	Very low	35	Very low	116 Å²	116	101.5 Å²	101.5	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-75.7	-37.1	179.9	-152.4	80.8	0	0	0	112.4	K80 I82 K87	K80-L84 PolarHBondContact O-N 3.31Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 2.82Å; L84-K87 PolarHBondContact O-N 3.29Å
85	K	29.5	Very low	32.8	Very low	56 Å²	56	103.5 Å²	103.5	24%	0.243	57%	0.57	C	S	.	*	H	α-helix	trans	-78.7	-30	179.7	-76.3	-169.9	170.1	-169	0	113.7	L81 I82 K87 Q88 I92	L81-K85 PolarHBondContact O-N 2.77Å; I82-K85 PolarHBondContact O-N 3.34Å; K85-K87 PolarHBondContact O-N 3.13Å; K85-Q88 PolarHBondContact O-N 3.47Å; K85-I92 HydrophobicContact CB-CD1 4.02Å; K85-I92 HydrophobicContact CD-CD1 3.78Å; K85-I92 HydrophobicContact CD-CG1 4.48Å
86	C	30	Very low	30.9	Very low	76 Å²	76	106.6 Å²	106.6	51%	0.514	58%	0.581	S	S	.	*	H	α-helix	trans	-60.8	-31.4	170	-84.3	0	0	0	0	112.8	I82 Q88 G89	I82-C86 PolarHBondContact O-N 2.93Å; I82-C86 VanDerWaalsContact O-N 3.08Å; C86-Q88 PolarHBondContact O-N 3.27Å; C86-G89 PolarHBondContact O-N 3.36Å
87	K	31.1	Very low	29.9	Very low	166 Å²	166	110 Å²	110	72%	0.722	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-15.9	174.8	-82.9	-169.5	175.2	-175.1	0	114.2	L84 K85	L84-K87 PolarHBondContact O-N 3.29Å; K85-K87 PolarHBondContact O-N 3.13Å
88	Q	31.5	Very low	29.1	Very low	133 Å²	133	112.7 Å²	112.7	62%	0.621	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	6.6	-179.7	-68.9	-177.1	-17.1	0	0	113.1	K85 C86 I90	K85-Q88 PolarHBondContact O-N 3.47Å; C86-Q88 PolarHBondContact O-N 3.27Å; Q88-I90 HydrophobicContact CB-CD1 4.16Å; Q88-I90 HydrophobicContact CB-CG1 4.13Å; Q88-I90 PolarHBondContact O-N 2.86Å; Q88-I90 VanDerWaalsContact O-N 3.11Å
89	G	27.3	Very low	28.5	Very low	71 Å²	71	115.2 Å²	115.2	73%	0.732	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.1	13.1	179.5	0	0	0	0	0	113.8	C86 A91	C86-G89 PolarHBondContact O-N 3.36Å; G89-A91 PolarHBondContact O-N 2.97Å
90	I	29.2	Very low	28	Very low	88 Å²	88	110.5 Å²	110.5	45%	0.451	61%	0.609	S	S	.	*			trans	-83.9	104.5	178.8	-57.3	175.9	0	0	0	107.2	Q88 I92	Q88-I90 HydrophobicContact CB-CD1 4.16Å; Q88-I90 HydrophobicContact CB-CG1 4.13Å; Q88-I90 PolarHBondContact O-N 2.86Å; Q88-I90 VanDerWaalsContact O-N 3.11Å; I90-I92 PolarHBondContact O-N 3.4Å
91	A	26.6	Very low	27.6	Very low	92 Å²	92	107 Å²	107	76%	0.76	61%	0.61	S	S	*	*			trans	-56.8	121.7	171.5	0	0	0	0	0	109.5	G89	G89-A91 PolarHBondContact O-N 2.97Å
92	I	25.6	Very low	27.1	Very low	78 Å²	78	110.5 Å²	110.5	40%	0.4	62%	0.621	S	S	.	*			trans	-102.7	107.2	166.2	-56.1	176.9	0	0	0	105.9	K85 I90 F94	K85-I92 HydrophobicContact CB-CD1 4.02Å; K85-I92 HydrophobicContact CD-CD1 3.78Å; K85-I92 HydrophobicContact CD-CG1 4.48Å; I90-I92 PolarHBondContact O-N 3.4Å; I92-F94 HydrophobicContact CB-CE2 4.37Å; I92-F94 HydrophobicContact CG2-CD2 3.76Å; I92-F94 HydrophobicContact CG2-CE2 3.46Å; I92-F94 VanDerWaalsContact CG2-CE2 3.46Å; I92-F94 HydrophobicContact CG2-CZ 4.15Å; I92-F94 PolarHBondContact O-N 2.83Å; I92-F94 VanDerWaalsContact O-N 3.16Å
93	E	26	Very low	26.6	Very low	165 Å²	165	114.1 Å²	114.1	77%	0.771	64%	0.641	S	S	*	*			trans	-64.8	104.5	168.7	-70.7	-175.9	161.1	0	0	108.5
94	F	25.6	Very low	26.3	Very low	150 Å²	150	121.5 Å²	121.5	66%	0.658	66%	0.656	S	S	*	*			trans	-98.2	106.3	158.1	-80.8	-77.8	0	0	0	108.2	I92 H96	I92-F94 HydrophobicContact CB-CE2 4.37Å; I92-F94 HydrophobicContact CG2-CD2 3.76Å; I92-F94 HydrophobicContact CG2-CE2 3.46Å; I92-F94 VanDerWaalsContact CG2-CE2 3.46Å; I92-F94 HydrophobicContact CG2-CZ 4.15Å; I92-F94 PolarHBondContact O-N 2.83Å; I92-F94 VanDerWaalsContact O-N 3.16Å; F94-H96 PolarHBondContact O-N 2.64Å
95	S	26.6	Very low	26	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	67%	0.669	S	S	*	*	S	Bend	trans	-50.7	127.7	141.3	39.6	0	0	0	0	108
96	H	22.1	Very low	25.7	Very low	171 Å²	171	132 Å²	132	79%	0.792	70%	0.7	S	S	*	*	S	Bend	trans	83.7	79.9	-167.8	-56.6	-85.1	0	0	0	116	F94	F94-H96 PolarHBondContact O-N 2.64Å
97	S	25.5	Very low	25.4	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	72%	0.717	S	S	*	*	S	Bend	trans	42.2	96.6	134.2	-52.7	0	0	0	0	118.2
98	L	22.1	Very low	25.2	Very low	145 Å²	145	132.2 Å²	132.2	76%	0.759	71%	0.714	S	S	*	*				154.7	79.8	121.8	-81.9	158	0	0	0	109.9
99	T	23.9	Very low	25	Very low	142 Å²	142	134.6 Å²	134.6	87%	0.871	72%	0.723	S	S	*	*			trans	-102.8	78.6	164.7	0.9	0	0	0	0	108.8
100	I	24.9	Very low	25.2	Very low	71 Å²	71	134.2 Å²	134.2	36%	0.364	71%	0.713	S	S	.	*			trans	-140.6	116.3	158.6	-51.1	168.6	0	0	0	106.5	C206 P207	I100-C206 HydrophobicContact CD1-CB 3.33Å; I100-C206 WeakPolarHBondContact CD1-SG 3.37Å; I100-P207 HydrophobicContact CD1-CG 4.45Å; I100-P207 HydrophobicContact CG1-CG 3.99Å; I100-P207 HydrophobicContact CG2-CG 4.35Å
101	A	24.1	Very low	25.3	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	72%	0.72	S	S	*	*			trans	158.2	73.7	143.2	0	0	0	0	0	108.8
102	F	23.2	Very low	25.8	Very low	179 Å²	179	130.2 Å²	130.2	79%	0.785	69%	0.689	S	S	*	*	S	Bend	trans	-109	125.4	145.5	-86.4	-84.3	0	0	0	105.9
103	L	23.4	Very low	26.8	Very low	155 Å²	155	131.4 Å²	131.4	81%	0.812	70%	0.696	S	S	*	*	S	Bend	trans	99.4	121.8	-177.3	-53.7	171.6	0	0	0	114.9
104	Y	23.9	Very low	28.3	Very low	220 Å²	220	127.6 Å²	127.6	86%	0.863	69%	0.687	S	S	*	*			trans	91.4	71.6	177.1	-58.6	-76.7	0	0	0	118.2	Q106	Y104-Q106 PolarHBondContact O-N 3.06Å
105	F	23	Very low	30.2	Very low	202 Å²	202	121.9 Å²	121.9	89%	0.886	66%	0.663	S	S	*	*			trans	-57.9	107.5	133	-89.4	-92.2	0	0	0	109.3
106	Q	23.3	Very low	32.6	Very low	189 Å²	189	117.5 Å²	117.5	88%	0.883	63%	0.632	S	S	*	*			trans	168.7	57.4	138	-96.9	-178.2	-51.7	0	0	110.9	Y104	Y104-Q106 PolarHBondContact O-N 3.06Å
107	V	24.5	Very low	35.2	Very low	143 Å²	143	119.3 Å²	119.3	87%	0.867	63%	0.632	S	S	*	*	S	Bend	trans	-144.8	121.3	153.2	-166	0	0	0	0	108.6
108	P	27.7	Very low	37.8	Very low	104 Å²	104	117.6 Å²	117.6	68%	0.675	62%	0.615	S	S	*	*			trans	-78.9	135.7	-168.8	28.3	-31.6	0	0	0	114.5
109	F	26.7	Very low	40.7	Very low	184 Å²	184	114.8 Å²	114.8	81%	0.807	61%	0.606	S	S	*	*			trans	4.6	109.9	159.8	-70.4	-91.2	0	0	0	119.9	S111	F109-S111 PolarHBondContact O-N 3.44Å
110	A	30.7	Very low	43.7	Very low	63 Å²	63	111.2 Å²	111.2	52%	0.521	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	10.4	171.9	0	0	0	0	0	115.8	G112 V201	A110-G112 PolarHBondContact O-N 3.29Å; A110-V201 HydrophobicContact CB-CG1 3.84Å
111	S	32.4	Very low	46.6	Very low	86 Å²	86	110.5 Å²	110.5	60%	0.601	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-10.9	168.4	37.3	0	0	0	0	112.9	F109 L113	F109-S111 PolarHBondContact O-N 3.44Å; S111-L113 PolarHBondContact O-N 3.25Å
112	G	37	Very low	49.4	Very low	10 Å²	10	109.5 Å²	109.5	10%	0.103	57%	0.565	C	S	.	*	H	α-helix	trans	-65.9	-28.2	-179.1	0	0	0	0	0	115.4	A110 S114 I115 C116	A110-G112 PolarHBondContact O-N 3.29Å; G112-S114 PolarHBondContact O-N 2.88Å; G112-S114 VanDerWaalsContact O-N 3.17Å; G112-I115 VanDerWaalsContact O-CB 3.28Å; G112-I115 WeakPolarHBondContact O-CB 3.44Å; G112-I115 PolarHBondContact O-N 3.17Å; G112-C116 PolarHBondContact O-N 3.09Å; G112-C116 PolarHBondContact O-SG 3.39Å
113	L	46.9	Very low	51.9	Low	103 Å²	103	101.9 Å²	101.9	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-22.9	-174.1	-88.2	137.8	0	0	0	114.4	S111	S111-L113 PolarHBondContact O-N 3.25Å
114	S	55.8	Low	54.5	Low	84 Å²	84	100.9 Å²	100.9	59%	0.587	54%	0.537	S	S	*	.	H	α-helix	trans	-68.6	-42.2	170.9	177.1	0	0	0	0	111.1	G112 C116 R117	G112-S114 PolarHBondContact O-N 2.88Å; G112-S114 VanDerWaalsContact O-N 3.17Å; S114-C116 VanDerWaalsContact C-N 3.27Å; S114-C116 PolarHBondContact O-N 2.99Å; S114-R117 PolarHBondContact O-N 2.78Å
115	I	66.6	Low	56.8	Low	30 Å²	30	91.2 Å²	91.2	15%	0.154	50%	0.504	C	S	.	.	H	α-helix	trans	-59.3	-41.8	179.8	-62.3	175.4	0	0	0	110.3	G112 R117 L118 E153 N154 F156	G112-I115 VanDerWaalsContact O-CB 3.28Å; G112-I115 WeakPolarHBondContact O-CB 3.44Å; G112-I115 PolarHBondContact O-N 3.17Å; I115-R117 PolarHBondContact O-N 3.2Å; I115-L118 WeakPolarHBondContact O-CB 3.25Å; I115-L118 PolarHBondContact O-N 3.44Å; I115-E153 HydrophobicContact CB-CB 4.41Å; I115-E153 HydrophobicContact CD1-CB 3.99Å; I115-E153 WeakPolarHBondContact CD1-OE2 3.32Å; I115-E153 HydrophobicContact CG1-CB 3.78Å; I115-E153 VanDerWaalsContact CG1-OE2 3.32Å; I115-E153 WeakPolarHBondContact CG1-OE2 3.35Å; I115-E153 HydrophobicContact CG2-CB 3.95Å; I115-E153 WeakPolarHBondContact CG2-O 3.26Å; I115-N154 HydrophobicContact CG2-CB 4.19Å; I115-N154 WeakPolarHBondContact O-CB 3.32Å; I115-F156 HydrophobicContact CG2-CE2 4.32Å; I115-F156 HydrophobicContact CG2-CZ 3.89Å
116	C	76.7	Confident	59.5	Low	8 Å²	8	87.5 Å²	87.5	5%	0.054	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.5	-178.6	-46.4	0	0	0	0	114.7	G112 S114 F134 C170	G112-C116 PolarHBondContact O-N 3.09Å; G112-C116 PolarHBondContact O-SG 3.39Å; S114-C116 VanDerWaalsContact C-N 3.27Å; S114-C116 PolarHBondContact O-N 2.99Å; C116-F134 HydrophobicContact CB-CD1 3.71Å; C116-F134 HydrophobicContact CB-CE1 4.12Å; C116-F134 HydrophobicContact CB-CG 4.31Å; C116-F134 WeakPolarHBondContact O-CD1 3.46Å; C116-C170 VanDerWaalsContact CA-SG 3.54Å; C116-C170 HydrophobicContact CB-CB 3.85Å; C116-C170 WeakPolarHBondContact CB-SG 3.3Å; C116-C170 WeakPolarHBondContact SG-CA 3.36Å; C116-C170 WeakPolarHBondContact SG-CB 3.4Å; C116-C170 CovalentContact SG-SG 2.02Å; C116-C170 PolarHBondContact SG-SG 2.73Å
117	R	76.6	Confident	61.7	Low	210 Å²	210	81.2 Å²	81.2	79%	0.792	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.7	177.5	-67.1	-175.5	176	-178.8	-1.3	113.2	S114 I115	S114-R117 PolarHBondContact O-N 2.78Å; I115-R117 PolarHBondContact O-N 3.2Å
118	L	80.3	Confident	64.3	Low	55 Å²	55	85.3 Å²	85.3	29%	0.288	48%	0.48	S	S	.	.	S	Bend	trans	-71	140.1	179.9	-60.8	172.1	0	0	0	109.8	I115 N152 E153 N154	I115-L118 WeakPolarHBondContact O-CB 3.25Å; I115-L118 PolarHBondContact O-N 3.44Å; L118-N152 HydrophobicContact CD1-CB 4.13Å; L118-E153 HydrophobicContact CD1-CB 4.05Å; L118-N154 HydrophobicContact CB-CB 4Å; L118-N154 PolarHBondContact O-ND2 3.25Å
119	P	82.8	Confident	66.9	Low	87 Å²	87	83.6 Å²	83.6	57%	0.565	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-64.6	154.6	178.6	27.4	-34.5	0	0	0	110.9	V121 N152	P119-V121 HydrophobicContact CG-CG2 4.36Å; P119-V121 PolarHBondContact O-N 3.43Å; P119-N152 PolarHBondContact O-ND2 2.68Å; P119-N152 PolarHBondContact O-OD1 3.5Å
120	L	86.5	Confident	69.6	Low	67 Å²	67	76.7 Å²	76.7	35%	0.351	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-60.4	122.5	167.3	170.5	62.9	0	0	0	109.8	V122 Y133 F144	L120-V122 HydrophobicContact CG-CG2 4.49Å; L120-Y133 HydrophobicContact CB-CD2 3.78Å; L120-Y133 HydrophobicContact CB-CE2 3.81Å; L120-Y133 HydrophobicContact CB-CG 4.23Å; L120-Y133 HydrophobicContact CD1-CD1 3.78Å; L120-Y133 HydrophobicContact CD1-CD2 4.21Å; L120-Y133 HydrophobicContact CD1-CE1 4.23Å; L120-Y133 HydrophobicContact CD1-CG 3.76Å; L120-Y133 HydrophobicContact CD2-CD1 4.24Å; L120-Y133 HydrophobicContact CD2-CE1 3.82Å; L120-Y133 HydrophobicContact CD2-CE2 4.23Å; L120-Y133 HydrophobicContact CG-CD1 4.44Å; L120-Y133 HydrophobicContact CG-CD2 4.41Å; L120-Y133 HydrophobicContact CG-CE1 4.46Å; L120-Y133 HydrophobicContact CG-CE2 4.43Å; L120-Y133 HydrophobicContact CG-CG 4.4Å; L120-F144 HydrophobicContact CD1-CB 3.98Å; L120-F144 HydrophobicContact CD1-CD1 3.81Å; L120-F144 HydrophobicContact CD1-CD2 3.4Å; L120-F144 VanDerWaalsContact CD1-CD2 3.4Å; L120-F144 HydrophobicContact CD1-CE1 4.04Å; L120-F144 HydrophobicContact CD1-CE2 3.64Å; L120-F144 HydrophobicContact CD1-CG 3.46Å; L120-F144 VanDerWaalsContact CD1-CG 3.46Å; L120-F144 HydrophobicContact CD1-CZ 3.94Å; L120-F144 HydrophobicContact CD2-CB 4.47Å
121	V	85.9	Confident	72.4	Confident	55 Å²	55	75.7 Å²	75.7	33%	0.333	43%	0.425	S	S	.	.			trans	-125.1	107.6	173	-179.5	0	0	0	0	109.4	P119 G123 G151 N152	P119-V121 HydrophobicContact CG-CG2 4.36Å; P119-V121 PolarHBondContact O-N 3.43Å; V121-G123 PolarHBondContact O-N 3.35Å; V121-G151 WeakPolarHBondContact O-CA 3.21Å; V121-N152 VanDerWaalsContact CG2-ND2 3.32Å; V121-N152 WeakPolarHBondContact CG2-ND2 3.48Å
122	V	82.7	Confident	75	Confident	65 Å²	65	73.7 Å²	73.7	39%	0.394	40%	0.404	S	S	.	.			trans	-66.1	-24.4	-178.6	170.7	0	0	0	0	112.6	L120 F144 T145 Y146 T147	L120-V122 HydrophobicContact CG-CG2 4.49Å; V122-F144 HydrophobicContact CG2-CD2 4.39Å; V122-T145 WeakPolarHBondContact CG1-O 3.21Å; V122-Y146 VanDerWaalsContact O-CD2 3.25Å; V122-Y146 WeakPolarHBondContact O-CD2 3.33Å; V122-T147 HydrophobicContact CG1-CG2 3.65Å; V122-T147 PolarHBondContact O-N 2.76Å; V122-T147 PolarHBondContact O-OG1 3.45Å
123	G	76	Confident	77.5	Confident	20 Å²	20	75 Å²	75	21%	0.206	41%	0.406	C	S	.	.			trans	83.9	178.3	-174.1	0	0	0	0	0	113.1	V121 T147 L149	V121-G123 PolarHBondContact O-N 3.35Å; G123-T147 VanDerWaalsContact CA-OG1 3.25Å; G123-T147 WeakPolarHBondContact CA-OG1 3.46Å; G123-T147 PolarHBondContact O-OG1 2.82Å; G123-L149 CarbonylContact C-O 3.43Å; G123-L149 WeakPolarHBondContact CA-O 3.31Å
124	V	77.8	Confident	79.3	Confident	133 Å²	133	71.1 Å²	71.1	81%	0.806	39%	0.385	S	S	*	.	S	Bend	trans	-118.1	12.5	-177.1	-66.8	0	0	0	0	113.1	T147 L149	V124-T147 PolarHBondContact N-OG1 2.03Å; V124-L149 PolarHBondContact N-O 3.44Å
125	G	72.7	Confident	80.7	Confident	17 Å²	17	68.9 Å²	68.9	18%	0.175	37%	0.367	C	S	.	.	S	Bend	trans	-78.8	-173.1	178.9	0	0	0	0	0	113.7	T147	G125-T147 CarbonylContact C-O 3.59Å; G125-T147 VanDerWaalsContact C-O 3.24Å; G125-T147 WeakPolarHBondContact CA-O 3.43Å; G125-T147 PolarHBondContact N-OG1 3.47Å; G125-T147 VanDerWaalsContact O-CB 3.31Å; G125-T147 WeakPolarHBondContact O-CB 3.02Å
126	S	78.8	Confident	81	Confident	124 Å²	124	70.8 Å²	70.8	87%	0.867	38%	0.383	S	S	*	.	S	Bend	trans	-114	-0.5	178.3	-37.6	0	0	0	0	113.3	T147	S126-T147 PolarHBondContact N-O 3.31Å
127	S	69.7	Low	80.9	Confident	58 Å²	58	81.4 Å²	81.4	41%	0.406	42%	0.421	S	S	.	.			trans	-71.5	160.6	176.2	-49.1	0	0	0	0	110.5	T147	S127-T147 WeakPolarHBondContact CA-O 3.28Å; S127-T147 VanDerWaalsContact CB-O 3.25Å; S127-T147 WeakPolarHBondContact CB-O 3.19Å; S127-T147 PolarHBondContact N-O 3.04Å; S127-T147 CarbonylContact O-C 3.4Å; S127-T147 WeakPolarHBondContact O-CA 3.42Å
128	R	80.5	Confident	81.1	Confident	229 Å²	229	74.3 Å²	74.3	86%	0.864	40%	0.404	S	S	*	.			trans	-125.9	79.4	171.4	-72.8	-166.4	-105.5	-171.5	-4.5	108.7	T145	R128-T145 HydrophobicContact CB-CG2 3.91Å; R128-T145 HydrophobicContact CG-CG2 4.18Å
129	L	82	Confident	80.6	Confident	67 Å²	67	74.6 Å²	74.6	35%	0.351	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.9	-177.6	-56.5	175.9	0	0	0	108.4	T145 Y146	L129-T145 CarbonylContact O-C 3.58Å; L129-T145 WeakPolarHBondContact O-CA 3.48Å; L129-Y146 WeakPolarHBondContact CB-O 3.39Å; L129-Y146 HydrophobicContact CD1-CD1 4.09Å; L129-Y146 PolarHBondContact N-O 3.28Å; L129-Y146 PolarHBondContact O-N 2.9Å
130	A	82.8	Confident	80.6	Confident	39 Å²	39	72.4 Å²	72.4	32%	0.322	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.7	173.6	0	0	0	0	0	110.2	E158	A130-E158 HydrophobicContact CB-CB 4.4Å; A130-E158 VanDerWaalsContact CB-CD 3.5Å; A130-E158 HydrophobicContact CB-CG 4.5Å; A130-E158 WeakPolarHBondContact CB-OE2 3.3Å; A130-E158 WeakPolarHBondContact O-CB 3.5Å
131	R	89.1	Confident	80.6	Confident	43 Å²	43	69.5 Å²	69.5	16%	0.162	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	170.4	-169.6	-64.3	-64.3	177.4	87.8	-5.7	109.6	P143 F144 Y146 N155 F156	R131-P143 CarbonylContact O-C 3.55Å; R131-P143 VanDerWaalsContact O-CA 3.26Å; R131-P143 WeakPolarHBondContact O-CA 3.38Å; R131-F144 HydrophobicContact CB-CD1 3.83Å; R131-F144 HydrophobicContact CB-CE1 3.41Å; R131-F144 VanDerWaalsContact CB-CE1 3.41Å; R131-F144 HydrophobicContact CB-CE2 4.46Å; R131-F144 HydrophobicContact CB-CZ 3.8Å; R131-F144 HydrophobicContact CG-CZ 4.48Å; R131-F144 PolarHBondContact N-O 3.02Å; R131-F144 PolarHBondContact O-N 3.26Å; R131-F144 VanDerWaalsContact O-O 3.06Å; R131-Y146 HydrophobicContact CG-CG 4.43Å; R131-N155 WeakPolarHBondContact CB-OD1 3.01Å; R131-N155 WeakPolarHBondContact CD-OD1 3.39Å; R131-N155 WeakPolarHBondContact CG-OD1 3.04Å; R131-N155 PolarHBondContact NH1-OD1 2.84Å; R131-F156 CarbonylContact C-O 3.54Å; R131-F156 WeakPolarHBondContact CA-O 3.04Å; R131-F156 VanDerWaalsContact CB-O 3.31Å; R131-F156 WeakPolarHBondContact CB-O 3.41Å; R131-F156 VanDerWaalsContact CD-O 3.23Å; R131-F156 WeakPolarHBondContact CD-O 3.16Å
132	W	87.5	Confident	80.6	Confident	43 Å²	43	69 Å²	69	16%	0.163	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147	175.1	-65.3	76.7	0	0	0	109.9	C141 N142 P143 F144 F156 S162 K163 C166	W132-C141 HydrophobicContact CE3-CB 4.35Å; W132-C141 WeakPolarHBondContact CZ3-O 3.28Å; W132-N142 CarbonylContact C-O 3.51Å; W132-N142 WeakPolarHBondContact CA-O 3.34Å; W132-P143 HydrophobicContact CD2-CB 4.17Å; W132-P143 HydrophobicContact CE3-CB 4.21Å; W132-P143 HydrophobicContact CH2-CB 4.22Å; W132-P143 HydrophobicContact CH2-CG 4.24Å; W132-P143 HydrophobicContact CZ2-CB 4.17Å; W132-P143 HydrophobicContact CZ3-CB 4.24Å; W132-P143 HydrophobicContact CZ3-CG 4.23Å; W132-F144 WeakPolarHBondContact O-CE1 3.49Å; W132-F156 HydrophobicContact CB-CB 4.15Å; W132-F156 PolarHBondContact N-O 2.62Å; W132-F156 WeakPolarHBondContact O-CD2 3.27Å; W132-F156 PolarHBondContact O-N 2.85Å; W132-S162 VanDerWaalsContact CD1-CB 3.48Å; W132-S162 PolarHBondContact NE1-OG 3.45Å; W132-K163 HydrophobicContact CD2-CB 4.2Å; W132-K163 HydrophobicContact CE3-CB 4.12Å; W132-K163 HydrophobicContact CE3-CG 3.96Å; W132-K163 HydrophobicContact CH2-CB 4.12Å; W132-K163 HydrophobicContact CH2-CD 4.1Å; W132-K163 HydrophobicContact CH2-CG 4.16Å; W132-K163 HydrophobicContact CZ2-CB 4.19Å; W132-K163 HydrophobicContact CZ3-CB 4.07Å; W132-K163 HydrophobicContact CZ3-CD 3.93Å; W132-K163 HydrophobicContact CZ3-CG 3.75Å; W132-C166 HydrophobicContact CB-CB 4.3Å
133	Y	89.3	Confident	80.9	Confident	39 Å²	39	69.9 Å²	69.9	15%	0.153	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.9	171.5	79.4	-75.9	0	0	0	109.3	L120 D135 C141 N142 F144 N154	L120-Y133 HydrophobicContact CB-CD2 3.78Å; L120-Y133 HydrophobicContact CB-CE2 3.81Å; L120-Y133 HydrophobicContact CB-CG 4.23Å; L120-Y133 HydrophobicContact CD1-CD1 3.78Å; L120-Y133 HydrophobicContact CD1-CD2 4.21Å; L120-Y133 HydrophobicContact CD1-CE1 4.23Å; L120-Y133 HydrophobicContact CD1-CG 3.76Å; L120-Y133 HydrophobicContact CD2-CD1 4.24Å; L120-Y133 HydrophobicContact CD2-CE1 3.82Å; L120-Y133 HydrophobicContact CD2-CE2 4.23Å; L120-Y133 HydrophobicContact CG-CD1 4.44Å; L120-Y133 HydrophobicContact CG-CD2 4.41Å; L120-Y133 HydrophobicContact CG-CE1 4.46Å; L120-Y133 HydrophobicContact CG-CE2 4.43Å; L120-Y133 HydrophobicContact CG-CG 4.4Å; Y133-D135 HydrophobicContact CE2-CB 3.83Å; Y133-C141 CarbonylContact O-C 3.51Å; Y133-C141 WeakPolarHBondContact O-CA 3.46Å; Y133-N142 HydrophobicContact CD1-CB 4.22Å; Y133-N142 WeakPolarHBondContact CD1-O 3.21Å; Y133-N142 HydrophobicContact CE1-CB 3.64Å; Y133-N142 PolarHBondContact N-O 2.92Å; Y133-N142 PolarHBondContact O-N 3.49Å; Y133-F144 HydrophobicContact CD1-CB 4.06Å; Y133-F144 AromaticContact CD1-CD1 3.74Å; Y133-F144 HydrophobicContact CD1-CD1 3.74Å; Y133-F144 HydrophobicContact CD1-CG 4.17Å; Y133-F144 HydrophobicContact CE1-CB 4.32Å; Y133-F144 HydrophobicContact CG-CD1 4.26Å; Y133-N154 WeakPolarHBondContact CA-OD1 3.47Å; Y133-N154 VanDerWaalsContact CB-O 3.23Å; Y133-N154 WeakPolarHBondContact CB-O 3.29Å
134	F	86.2	Confident	81.5	Confident	21 Å²	21	69.9 Å²	69.9	9%	0.092	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.8	172.9	-174.6	-100.1	0	0	0	109.9	C116 N154 C170	C116-F134 HydrophobicContact CB-CD1 3.71Å; C116-F134 HydrophobicContact CB-CE1 4.12Å; C116-F134 HydrophobicContact CB-CG 4.31Å; C116-F134 WeakPolarHBondContact O-CD1 3.46Å; F134-N154 PolarHBondContact N-OD1 3.5Å; F134-N154 PolarHBondContact O-ND2 3Å; F134-C170 HydrophobicContact CB-CB 3.86Å; F134-C170 HydrophobicContact CD1-CB 4.03Å; F134-C170 HydrophobicContact CD2-CB 3.3Å; F134-C170 HydrophobicContact CE1-CB 4.36Å; F134-C170 HydrophobicContact CE2-CB 3.72Å; F134-C170 WeakPolarHBondContact CE2-O 3.33Å; F134-C170 HydrophobicContact CG-CB 3.45Å; F134-C170 VanDerWaalsContact CG-CB 3.45Å; F134-C170 HydrophobicContact CZ-CB 4.21Å
135	D	83.3	Confident	81.8	Confident	37 Å²	37	67 Å²	67	20%	0.198	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.7	169.4	-176.7	-6.8	0	0	0	109	Y133 R137 S138 S139 S140 N142	Y133-D135 HydrophobicContact CE2-CB 3.83Å; D135-R137 PolarHBondContact O-N 3.42Å; D135-R137 WeakPolarHBondContact OD1-CB 3.39Å; D135-R137 PolarHBondContact OD1-N 2.77Å; D135-S138 WeakPolarHBondContact CB-OG 3.26Å; D135-S138 PolarHBondContact O-N 3.39Å; D135-S138 PolarHBondContact O-OG 2.84Å; D135-S139 VanDerWaalsContact O-CA 3.3Å; D135-S139 WeakPolarHBondContact O-CA 3.42Å; D135-S139 PolarHBondContact O-N 3.45Å; D135-S140 PolarHBondContact N-O 2.83Å; D135-S140 PolarHBondContact O-N 2.79Å; D135-N142 VanDerWaalsContact CB-ND2 3.32Å; D135-N142 WeakPolarHBondContact CB-ND2 3.43Å
136	S	74.3	Confident	82.3	Confident	70 Å²	70	67.4 Å²	67.4	49%	0.49	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.7	177.5	61.9	0	0	0	0	114.1
137	R	75	Confident	82.5	Confident	230 Å²	230	62.6 Å²	62.6	87%	0.868	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-45.3	178.8	-57.4	-177.2	-138.3	-178.9	4.3	111.5	D135 S139	D135-R137 PolarHBondContact O-N 3.42Å; D135-R137 WeakPolarHBondContact OD1-CB 3.39Å; D135-R137 PolarHBondContact OD1-N 2.77Å; R137-S139 VanDerWaalsContact C-N 3.33Å
138	S	80.2	Confident	82.7	Confident	62 Å²	62	61 Å²	61	43%	0.434	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9	175.6	61.7	0	0	0	0	113	D135 S140	D135-S138 WeakPolarHBondContact CB-OG 3.26Å; D135-S138 PolarHBondContact O-N 3.39Å; D135-S138 PolarHBondContact O-OG 2.84Å; S138-S140 WeakPolarHBondContact CB-OG 3.4Å; S138-S140 PolarHBondContact O-N 2.02Å; S138-S140 PolarHBondContact OG-OG 2.04Å
139	S	70.6	Confident	82.1	Confident	60 Å²	60	54.4 Å²	54.4	42%	0.42	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	38.5	-170.9	-62.5	0	0	0	0	112.2	D135 R137 G172	D135-S139 VanDerWaalsContact O-CA 3.3Å; D135-S139 WeakPolarHBondContact O-CA 3.42Å; D135-S139 PolarHBondContact O-N 3.45Å; R137-S139 VanDerWaalsContact C-N 3.33Å; S139-G172 WeakPolarHBondContact O-CA 3.14Å
140	S	81.7	Confident	81.5	Confident	42 Å²	42	53.7 Å²	53.7	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150	-176.2	70.6	0	0	0	0	111.9	D135 S138 N142	D135-S140 PolarHBondContact N-O 2.83Å; D135-S140 PolarHBondContact O-N 2.79Å; S138-S140 WeakPolarHBondContact CB-OG 3.4Å; S138-S140 PolarHBondContact O-N 2.02Å; S138-S140 PolarHBondContact OG-OG 2.04Å; S140-N142 PolarHBondContact OG-OD1 3.11Å
141	C	86.1	Confident	81	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.1	171.2	-70.5	0	0	0	0	110.4	W132 Y133 K163 C166 E167	W132-C141 HydrophobicContact CE3-CB 4.35Å; W132-C141 WeakPolarHBondContact CZ3-O 3.28Å; Y133-C141 CarbonylContact O-C 3.51Å; Y133-C141 WeakPolarHBondContact O-CA 3.46Å; C141-K163 HydrophobicContact CB-CG 4.29Å; C141-C166 HydrophobicContact CB-CB 3.71Å; C141-C166 WeakPolarHBondContact CB-SG 3.48Å; C141-C166 WeakPolarHBondContact SG-CB 3.46Å; C141-C166 PolarHBondContact SG-O 3.2Å; C141-C166 CovalentContact SG-SG 2.03Å; C141-C166 PolarHBondContact SG-SG 3.4Å; C141-E167 HydrophobicContact CB-CG 4.32Å; C141-E167 PolarHBondContact SG-N 3.17Å; C141-E167 VanDerWaalsContact SG-N 3.37Å
142	N	86.8	Confident	80.6	Confident	44 Å²	44	53.2 Å²	53.2	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.1	-177.6	-61.9	-38.8	0	0	0	110.1	W132 Y133 D135 S140	W132-N142 CarbonylContact C-O 3.51Å; W132-N142 WeakPolarHBondContact CA-O 3.34Å; Y133-N142 HydrophobicContact CD1-CB 4.22Å; Y133-N142 WeakPolarHBondContact CD1-O 3.21Å; Y133-N142 HydrophobicContact CE1-CB 3.64Å; Y133-N142 PolarHBondContact N-O 2.92Å; Y133-N142 PolarHBondContact O-N 3.49Å; D135-N142 VanDerWaalsContact CB-ND2 3.32Å; D135-N142 WeakPolarHBondContact CB-ND2 3.43Å; S140-N142 PolarHBondContact OG-OD1 3.11Å
143	P	88.1	Confident	80.3	Confident	84 Å²	84	57.4 Å²	57.4	55%	0.545	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.4	176.6	31.3	-33.2	0	0	0	111.2	R131 W132	R131-P143 CarbonylContact O-C 3.55Å; R131-P143 VanDerWaalsContact O-CA 3.26Å; R131-P143 WeakPolarHBondContact O-CA 3.38Å; W132-P143 HydrophobicContact CD2-CB 4.17Å; W132-P143 HydrophobicContact CE3-CB 4.21Å; W132-P143 HydrophobicContact CH2-CB 4.22Å; W132-P143 HydrophobicContact CH2-CG 4.24Å; W132-P143 HydrophobicContact CZ2-CB 4.17Å; W132-P143 HydrophobicContact CZ3-CB 4.24Å; W132-P143 HydrophobicContact CZ3-CG 4.23Å
144	F	89	Confident	80.1	Confident	19 Å²	19	55.6 Å²	55.6	8%	0.083	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.3	170.2	80.4	-76.3	0	0	0	111.3	L120 V122 R131 W132 Y133 Y146 N155	L120-F144 HydrophobicContact CD1-CB 3.98Å; L120-F144 HydrophobicContact CD1-CD1 3.81Å; L120-F144 HydrophobicContact CD1-CD2 3.4Å; L120-F144 VanDerWaalsContact CD1-CD2 3.4Å; L120-F144 HydrophobicContact CD1-CE1 4.04Å; L120-F144 HydrophobicContact CD1-CE2 3.64Å; L120-F144 HydrophobicContact CD1-CG 3.46Å; L120-F144 VanDerWaalsContact CD1-CG 3.46Å; L120-F144 HydrophobicContact CD1-CZ 3.94Å; L120-F144 HydrophobicContact CD2-CB 4.47Å; V122-F144 HydrophobicContact CG2-CD2 4.39Å; R131-F144 HydrophobicContact CB-CD1 3.83Å; R131-F144 HydrophobicContact CB-CE1 3.41Å; R131-F144 VanDerWaalsContact CB-CE1 3.41Å; R131-F144 HydrophobicContact CB-CE2 4.46Å; R131-F144 HydrophobicContact CB-CZ 3.8Å; R131-F144 HydrophobicContact CG-CZ 4.48Å; R131-F144 PolarHBondContact N-O 3.02Å; R131-F144 PolarHBondContact O-N 3.26Å; R131-F144 VanDerWaalsContact O-O 3.06Å; W132-F144 WeakPolarHBondContact O-CE1 3.49Å; Y133-F144 HydrophobicContact CD1-CB 4.06Å; Y133-F144 AromaticContact CD1-CD1 3.74Å; Y133-F144 HydrophobicContact CD1-CD1 3.74Å; Y133-F144 HydrophobicContact CD1-CG 4.17Å; Y133-F144 HydrophobicContact CE1-CB 4.32Å; Y133-F144 HydrophobicContact CG-CD1 4.26Å; F144-Y146 HydrophobicContact CE2-CD2 4.4Å; F144-N155 HydrophobicContact CE1-CB 4.43Å; F144-N155 HydrophobicContact CZ-CB 3.94Å
145	T	85.1	Confident	80.2	Confident	74 Å²	74	56 Å²	56	45%	0.454	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.8	174.7	-50.7	0	0	0	0	109.8	V122 R128 L129	V122-T145 WeakPolarHBondContact CG1-O 3.21Å; R128-T145 HydrophobicContact CB-CG2 3.91Å; R128-T145 HydrophobicContact CG-CG2 4.18Å; L129-T145 CarbonylContact O-C 3.58Å; L129-T145 WeakPolarHBondContact O-CA 3.48Å
146	Y	83.2	Confident	80.1	Confident	24 Å²	24	55.3 Å²	55.3	9%	0.094	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.2	172.6	176	-121.8	0	0	0	110.8	V122 L129 R131 F144 G148 L149 G150 N155	V122-Y146 VanDerWaalsContact O-CD2 3.25Å; V122-Y146 WeakPolarHBondContact O-CD2 3.33Å; L129-Y146 WeakPolarHBondContact CB-O 3.39Å; L129-Y146 HydrophobicContact CD1-CD1 4.09Å; L129-Y146 PolarHBondContact N-O 3.28Å; L129-Y146 PolarHBondContact O-N 2.9Å; R131-Y146 HydrophobicContact CG-CG 4.43Å; F144-Y146 HydrophobicContact CE2-CD2 4.4Å; Y146-G148 VanDerWaalsContact CE1-C 3.45Å; Y146-G148 PolarHBondContact O-N 3.45Å; Y146-G148 PolarHBondContact OH-O 3.13Å; Y146-G148 VanDerWaalsContact OH-O 3.06Å; Y146-L149 VanDerWaalsContact OH-C 3.26Å; Y146-L149 VanDerWaalsContact OH-CA 3.29Å; Y146-L149 WeakPolarHBondContact OH-CA 3.38Å; Y146-L149 PolarHBondContact OH-N 3.28Å; Y146-L149 VanDerWaalsContact OH-N 3.15Å; Y146-G150 WeakPolarHBondContact CE2-O 3.44Å; Y146-G150 PolarHBondContact OH-N 3.44Å; Y146-G150 PolarHBondContact OH-O 3.4Å; Y146-N155 VanDerWaalsContact CD2-ND2 3.27Å; Y146-N155 WeakPolarHBondContact CD2-ND2 3.3Å; Y146-N155 VanDerWaalsContact CG-ND2 3.29Å
147	T	82.3	Confident	80.3	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.147	32%	0.319	C	S	.	.			trans	-81.9	3.7	-173.6	57.5	0	0	0	0	114.8	V122 G123 V124 G125 S126 S127 L149	V122-T147 HydrophobicContact CG1-CG2 3.65Å; V122-T147 PolarHBondContact O-N 2.76Å; V122-T147 PolarHBondContact O-OG1 3.45Å; G123-T147 VanDerWaalsContact CA-OG1 3.25Å; G123-T147 WeakPolarHBondContact CA-OG1 3.46Å; G123-T147 PolarHBondContact O-OG1 2.82Å; V124-T147 PolarHBondContact N-OG1 2.03Å; G125-T147 CarbonylContact C-O 3.59Å; G125-T147 VanDerWaalsContact C-O 3.24Å; G125-T147 WeakPolarHBondContact CA-O 3.43Å; G125-T147 PolarHBondContact N-OG1 3.47Å; G125-T147 VanDerWaalsContact O-CB 3.31Å; G125-T147 WeakPolarHBondContact O-CB 3.02Å; S126-T147 PolarHBondContact N-O 3.31Å; S127-T147 WeakPolarHBondContact CA-O 3.28Å; S127-T147 VanDerWaalsContact CB-O 3.25Å; S127-T147 WeakPolarHBondContact CB-O 3.19Å; S127-T147 PolarHBondContact N-O 3.04Å; S127-T147 CarbonylContact O-C 3.4Å; S127-T147 WeakPolarHBondContact O-CA 3.42Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.49Å
148	G	73.7	Confident	79.8	Confident	25 Å²	25	49.4 Å²	49.4	26%	0.258	30%	0.299	S	S	.	.	S	Bend	trans	88.5	-21.3	177.2	0	0	0	0	0	114.8	Y146	Y146-G148 VanDerWaalsContact CE1-C 3.45Å; Y146-G148 PolarHBondContact O-N 3.45Å; Y146-G148 PolarHBondContact OH-O 3.13Å; Y146-G148 VanDerWaalsContact OH-O 3.06Å
149	L	68.6	Low	78.6	Confident	89 Å²	89	52.5 Å²	52.5	47%	0.466	31%	0.31	S	S	.	.	S	Bend	trans	-132.7	129.4	-179.8	-92.4	144	0	0	0	112.2	G123 V124 Y146 T147	G123-L149 CarbonylContact C-O 3.43Å; G123-L149 WeakPolarHBondContact CA-O 3.31Å; V124-L149 PolarHBondContact N-O 3.44Å; Y146-L149 VanDerWaalsContact OH-C 3.26Å; Y146-L149 VanDerWaalsContact OH-CA 3.29Å; Y146-L149 WeakPolarHBondContact OH-CA 3.38Å; Y146-L149 PolarHBondContact OH-N 3.28Å; Y146-L149 VanDerWaalsContact OH-N 3.15Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.49Å
150	G	68.5	Low	77.5	Confident	52 Å²	52	55.3 Å²	55.3	54%	0.536	33%	0.33	S	S	.	.	S	Bend	trans	94.1	-144.1	-175.7	0	0	0	0	0	111.7	Y146	Y146-G150 WeakPolarHBondContact CE2-O 3.44Å; Y146-G150 PolarHBondContact OH-N 3.44Å; Y146-G150 PolarHBondContact OH-O 3.4Å
151	G	73.4	Confident	76	Confident	31 Å²	31	60 Å²	60	32%	0.32	35%	0.347	S	S	.	.			trans	80.5	176.1	-177	0	0	0	0	0	113.2	V121	V121-G151 WeakPolarHBondContact O-CA 3.21Å
152	N	80.9	Confident	74.8	Confident	41 Å²	41	60.1 Å²	60.1	22%	0.219	35%	0.348	C	S	.	.			trans	-128.4	-174.7	170.7	61.4	36.9	0	0	0	108.9	L118 P119 V121 N154 N155	L118-N152 HydrophobicContact CD1-CB 4.13Å; P119-N152 PolarHBondContact O-ND2 2.68Å; P119-N152 PolarHBondContact O-OD1 3.5Å; V121-N152 VanDerWaalsContact CG2-ND2 3.32Å; V121-N152 WeakPolarHBondContact CG2-ND2 3.48Å; N152-N154 PolarHBondContact O-N 3.22Å; N152-N154 WeakPolarHBondContact OD1-CB 3.49Å; N152-N154 PolarHBondContact OD1-N 3Å; N152-N155 VanDerWaalsContact O-CB 3.22Å; N152-N155 WeakPolarHBondContact O-CB 3.44Å
153	E	80.7	Confident	73.9	Confident	132 Å²	132	62.5 Å²	62.5	62%	0.617	36%	0.356	S	S	*	.	S	Bend	trans	-69.5	-12	-174.1	-62.7	-171.6	171	0	0	114	I115 L118 N155	I115-E153 HydrophobicContact CB-CB 4.41Å; I115-E153 HydrophobicContact CD1-CB 3.99Å; I115-E153 WeakPolarHBondContact CD1-OE2 3.32Å; I115-E153 HydrophobicContact CG1-CB 3.78Å; I115-E153 VanDerWaalsContact CG1-OE2 3.32Å; I115-E153 WeakPolarHBondContact CG1-OE2 3.35Å; I115-E153 HydrophobicContact CG2-CB 3.95Å; I115-E153 WeakPolarHBondContact CG2-O 3.26Å; L118-E153 HydrophobicContact CD1-CB 4.05Å; E153-N155 PolarHBondContact O-N 2.82Å
154	N	85.7	Confident	73	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	36%	0.358	C	S	.	.			trans	-78.6	57.8	174.3	-165.1	10.1	0	0	0	110.5	I115 L118 Y133 F134 N152 F156	I115-N154 HydrophobicContact CG2-CB 4.19Å; I115-N154 WeakPolarHBondContact O-CB 3.32Å; L118-N154 HydrophobicContact CB-CB 4Å; L118-N154 PolarHBondContact O-ND2 3.25Å; Y133-N154 WeakPolarHBondContact CA-OD1 3.47Å; Y133-N154 VanDerWaalsContact CB-O 3.23Å; Y133-N154 WeakPolarHBondContact CB-O 3.29Å; F134-N154 PolarHBondContact N-OD1 3.5Å; F134-N154 PolarHBondContact O-ND2 3Å; N152-N154 PolarHBondContact O-N 3.22Å; N152-N154 WeakPolarHBondContact OD1-CB 3.49Å; N152-N154 PolarHBondContact OD1-N 3Å; N154-F156 WeakPolarHBondContact OD1-CE2 3.26Å
155	N	86.5	Confident	71.9	Confident	28 Å²	28	68.9 Å²	68.9	15%	0.15	38%	0.379	C	S	.	.			trans	-151.4	79	-167.4	-178.3	-6.4	0	0	0	109.8	R131 F144 Y146 N152 E153	R131-N155 WeakPolarHBondContact CB-OD1 3.01Å; R131-N155 WeakPolarHBondContact CD-OD1 3.39Å; R131-N155 WeakPolarHBondContact CG-OD1 3.04Å; R131-N155 PolarHBondContact NH1-OD1 2.84Å; F144-N155 HydrophobicContact CE1-CB 4.43Å; F144-N155 HydrophobicContact CZ-CB 3.94Å; Y146-N155 VanDerWaalsContact CD2-ND2 3.27Å; Y146-N155 WeakPolarHBondContact CD2-ND2 3.3Å; Y146-N155 VanDerWaalsContact CG-ND2 3.29Å; N152-N155 VanDerWaalsContact O-CB 3.22Å; N152-N155 WeakPolarHBondContact O-CB 3.44Å; E153-N155 PolarHBondContact O-N 2.82Å
156	F	82.8	Confident	71.6	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.105	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.2	-176	-57.9	-89.7	0	0	0	111.1	I115 R131 W132 N154 C166 A169	I115-F156 HydrophobicContact CG2-CE2 4.32Å; I115-F156 HydrophobicContact CG2-CZ 3.89Å; R131-F156 CarbonylContact C-O 3.54Å; R131-F156 WeakPolarHBondContact CA-O 3.04Å; R131-F156 VanDerWaalsContact CB-O 3.31Å; R131-F156 WeakPolarHBondContact CB-O 3.41Å; R131-F156 VanDerWaalsContact CD-O 3.23Å; R131-F156 WeakPolarHBondContact CD-O 3.16Å; W132-F156 HydrophobicContact CB-CB 4.15Å; W132-F156 PolarHBondContact N-O 2.62Å; W132-F156 WeakPolarHBondContact O-CD2 3.27Å; W132-F156 PolarHBondContact O-N 2.85Å; N154-F156 WeakPolarHBondContact OD1-CE2 3.26Å; F156-C166 HydrophobicContact CB-CB 4.11Å; F156-C166 HydrophobicContact CD1-CB 4.24Å; F156-C166 HydrophobicContact CD2-CB 3.63Å; F156-C166 HydrophobicContact CE2-CB 4.09Å; F156-C166 HydrophobicContact CG-CB 3.73Å; F156-A169 HydrophobicContact CE1-CB 3.61Å; F156-A169 HydrophobicContact CZ-CB 3.87Å
157	L	77.3	Confident	71.1	Confident	77 Å²	77	67.4 Å²	67.4	40%	0.403	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.1	-173.4	-176.7	64.9	0	0	0	112	L159 S162	L157-L159 HydrophobicContact CD2-CB 4.44Å; L157-L159 HydrophobicContact CD2-CD1 3.41Å; L157-L159 VanDerWaalsContact CD2-CD1 3.41Å; L157-L159 HydrophobicContact CD2-CG 3.73Å; L157-L159 HydrophobicContact CG-CB 4.5Å; L157-L159 HydrophobicContact CG-CD1 4.24Å; L157-L159 HydrophobicContact CG-CG 4.01Å; L157-L159 PolarHBondContact O-N 2.07Å; L157-S162 WeakPolarHBondContact O-CA 3.27Å; L157-S162 WeakPolarHBondContact O-CB 3.31Å
158	E	64.2	Low	70.2	Confident	99 Å²	99	69.4 Å²	69.4	46%	0.463	39%	0.387	S	S	.	.			trans	-70	-13.8	-174.9	-168.5	178.3	-147.1	0	0	116.8	A130 S160 S162	A130-E158 HydrophobicContact CB-CB 4.4Å; A130-E158 VanDerWaalsContact CB-CD 3.5Å; A130-E158 HydrophobicContact CB-CG 4.5Å; A130-E158 WeakPolarHBondContact CB-OE2 3.3Å; A130-E158 WeakPolarHBondContact O-CB 3.5Å; E158-S160 PolarHBondContact O-N 2.8Å; E158-S162 VanDerWaalsContact C-OG 3.26Å; E158-S162 WeakPolarHBondContact CA-OG 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.42Å; E158-S162 PolarHBondContact O-OG 2.77Å
159	L	55.7	Low	69.8	Low	127 Å²	127	69.8 Å²	69.8	67%	0.665	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	97.3	-172.6	-72.7	176.2	0	0	0	114.4	L157 H161	L157-L159 HydrophobicContact CD2-CB 4.44Å; L157-L159 HydrophobicContact CD2-CD1 3.41Å; L157-L159 VanDerWaalsContact CD2-CD1 3.41Å; L157-L159 HydrophobicContact CD2-CG 3.73Å; L157-L159 HydrophobicContact CG-CB 4.5Å; L157-L159 HydrophobicContact CG-CD1 4.24Å; L157-L159 HydrophobicContact CG-CG 4.01Å; L157-L159 PolarHBondContact O-N 2.07Å; L159-H161 PolarHBondContact O-N 2.9Å
160	S	47.9	Very low	69.9	Low	118 Å²	118	65.7 Å²	65.7	83%	0.825	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.9	-2.9	167.4	57.4	0	0	0	0	121.2	E158	E158-S160 PolarHBondContact O-N 2.8Å
161	H	49.9	Very low	69.3	Low	140 Å²	140	67.6 Å²	67.6	65%	0.648	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	20.6	179	-76.6	166.1	0	0	0	110.6	L159 H164 E165	L159-H161 PolarHBondContact O-N 2.9Å; H161-H164 CarbonylContact O-C 3.57Å; H161-H164 WeakPolarHBondContact O-CA 3.47Å; H161-H164 WeakPolarHBondContact O-CB 3.25Å; H161-H164 PolarHBondContact O-N 2.86Å; H161-E165 PolarHBondContact O-N 3.48Å
162	S	60	Low	67.9	Low	10 Å²	10	68 Å²	68	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-72.8	-36.1	-165.7	48.9	0	0	0	0	116.2	W132 L157 E158 H164 E165 C166	W132-S162 VanDerWaalsContact CD1-CB 3.48Å; W132-S162 PolarHBondContact NE1-OG 3.45Å; L157-S162 WeakPolarHBondContact O-CA 3.27Å; L157-S162 WeakPolarHBondContact O-CB 3.31Å; E158-S162 VanDerWaalsContact C-OG 3.26Å; E158-S162 WeakPolarHBondContact CA-OG 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.42Å; E158-S162 PolarHBondContact O-OG 2.77Å; S162-H164 PolarHBondContact O-N 3.46Å; S162-E165 PolarHBondContact O-N 2.8Å; S162-C166 PolarHBondContact O-N 2.85Å
163	K	68.6	Low	65.8	Low	94 Å²	94	75.1 Å²	75.1	41%	0.409	40%	0.401	S	S	.	.	H	α-helix	trans	-60.2	-36.9	167.2	-167.6	-175.3	-176.1	-125.1	0	110.3	W132 C141 C166 E167	W132-K163 HydrophobicContact CD2-CB 4.2Å; W132-K163 HydrophobicContact CE3-CB 4.12Å; W132-K163 HydrophobicContact CE3-CG 3.96Å; W132-K163 HydrophobicContact CH2-CB 4.12Å; W132-K163 HydrophobicContact CH2-CD 4.1Å; W132-K163 HydrophobicContact CH2-CG 4.16Å; W132-K163 HydrophobicContact CZ2-CB 4.19Å; W132-K163 HydrophobicContact CZ3-CB 4.07Å; W132-K163 HydrophobicContact CZ3-CD 3.93Å; W132-K163 HydrophobicContact CZ3-CG 3.75Å; C141-K163 HydrophobicContact CB-CG 4.29Å; K163-C166 PolarHBondContact O-N 3.32Å; K163-E167 WeakPolarHBondContact CE-OE1 3.49Å; K163-E167 HydrophobicContact CG-CG 4.3Å; K163-E167 IonicContact NZ-OE1 3.96Å; K163-E167 PolarHBondContact NZ-OE1 3.3Å; K163-E167 WeakPolarHBondContact O-CB 3.25Å; K163-E167 VanDerWaalsContact O-CG 3.25Å; K163-E167 WeakPolarHBondContact O-CG 3.37Å; K163-E167 PolarHBondContact O-N 2.81Å
164	H	68.8	Low	63.5	Low	127 Å²	127	72.2 Å²	72.2	59%	0.588	41%	0.407	S	S	*	.	H	α-helix	trans	-72.1	-36.6	-177.5	-137	45	0	0	0	112.6	H161 S162 E167 A168	H161-H164 CarbonylContact O-C 3.57Å; H161-H164 WeakPolarHBondContact O-CA 3.47Å; H161-H164 WeakPolarHBondContact O-CB 3.25Å; H161-H164 PolarHBondContact O-N 2.86Å; S162-H164 PolarHBondContact O-N 3.46Å; H164-E167 IonicContact ND1-OE2 3.39Å; H164-E167 PolarHBondContact ND1-OE2 3.08Å; H164-E167 PolarHBondContact O-N 3.35Å; H164-A168 WeakPolarHBondContact O-CB 2.95Å; H164-A168 PolarHBondContact O-N 3.25Å
165	E	66.9	Low	60.7	Low	110 Å²	110	83.3 Å²	83.3	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-43.2	171.3	-73.1	-174.3	170.8	0	0	111.7	H161 S162 A168 A169	H161-E165 PolarHBondContact O-N 3.48Å; S162-E165 PolarHBondContact O-N 2.8Å; E165-A168 PolarHBondContact O-N 3.26Å; E165-A169 VanDerWaalsContact O-CB 3.23Å; E165-A169 WeakPolarHBondContact O-CB 3.18Å; E165-A169 PolarHBondContact O-N 3.01Å
166	C	77.5	Confident	57.9	Low	0 Å²	0	89.1 Å²	89.1	0%	0	48%	0.48	C	S	.	.	H	α-helix	trans	-64.5	-45.3	174.8	177.7	0	0	0	0	111.6	W132 C141 F156 S162 K163 A168 A169 C170	W132-C166 HydrophobicContact CB-CB 4.3Å; C141-C166 HydrophobicContact CB-CB 3.71Å; C141-C166 WeakPolarHBondContact CB-SG 3.48Å; C141-C166 WeakPolarHBondContact SG-CB 3.46Å; C141-C166 PolarHBondContact SG-O 3.2Å; C141-C166 CovalentContact SG-SG 2.03Å; C141-C166 PolarHBondContact SG-SG 3.4Å; F156-C166 HydrophobicContact CB-CB 4.11Å; F156-C166 HydrophobicContact CD1-CB 4.24Å; F156-C166 HydrophobicContact CD2-CB 3.63Å; F156-C166 HydrophobicContact CE2-CB 4.09Å; F156-C166 HydrophobicContact CG-CB 3.73Å; S162-C166 PolarHBondContact O-N 2.85Å; K163-C166 PolarHBondContact O-N 3.32Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-A168 PolarHBondContact O-N 3.17Å; C166-A169 PolarHBondContact O-N 2.99Å; C166-C170 WeakPolarHBondContact O-CA 3.27Å; C166-C170 VanDerWaalsContact O-CB 3.29Å; C166-C170 WeakPolarHBondContact O-CB 3.19Å; C166-C170 PolarHBondContact O-N 2.89Å
167	E	72.6	Confident	55.3	Low	67 Å²	67	97 Å²	97	31%	0.313	51%	0.509	S	S	.	.	H	α-helix	trans	-66.4	-33.8	177.6	-74.1	171.9	163.2	0	0	112.5	C141 K163 H164 C170 P171	C141-E167 HydrophobicContact CB-CG 4.32Å; C141-E167 PolarHBondContact SG-N 3.17Å; C141-E167 VanDerWaalsContact SG-N 3.37Å; K163-E167 WeakPolarHBondContact CE-OE1 3.49Å; K163-E167 HydrophobicContact CG-CG 4.3Å; K163-E167 IonicContact NZ-OE1 3.96Å; K163-E167 PolarHBondContact NZ-OE1 3.3Å; K163-E167 WeakPolarHBondContact O-CB 3.25Å; K163-E167 VanDerWaalsContact O-CG 3.25Å; K163-E167 WeakPolarHBondContact O-CG 3.37Å; K163-E167 PolarHBondContact O-N 2.81Å; H164-E167 IonicContact ND1-OE2 3.39Å; H164-E167 PolarHBondContact ND1-OE2 3.08Å; H164-E167 PolarHBondContact O-N 3.35Å; E167-C170 CarbonylContact O-C 3.46Å; E167-C170 VanDerWaalsContact O-C 3.29Å; E167-P171 WeakPolarHBondContact O-CA 3.43Å; E167-P171 VanDerWaalsContact O-N 3.09Å
168	A	64.4	Low	53.3	Low	66 Å²	66	97.4 Å²	97.4	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-74.1	-38.2	176.7	0	0	0	0	0	111.8	H164 E165 C166	H164-A168 WeakPolarHBondContact O-CB 2.95Å; H164-A168 PolarHBondContact O-N 3.25Å; E165-A168 PolarHBondContact O-N 3.26Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-A168 PolarHBondContact O-N 3.17Å
169	A	64.7	Low	51.8	Low	32 Å²	32	97.5 Å²	97.5	26%	0.264	51%	0.511	S	S	.	.	H	α-helix	trans	-73.2	-34	175	0	0	0	0	0	112.2	F156 E165 C166 P171	F156-A169 HydrophobicContact CE1-CB 3.61Å; F156-A169 HydrophobicContact CZ-CB 3.87Å; E165-A169 VanDerWaalsContact O-CB 3.23Å; E165-A169 WeakPolarHBondContact O-CB 3.18Å; E165-A169 PolarHBondContact O-N 3.01Å; C166-A169 PolarHBondContact O-N 2.99Å; A169-P171 VanDerWaalsContact C-CD 3.49Å
170	C	70.4	Confident	51	Low	3 Å²	3	94.2 Å²	94.2	2%	0.02	50%	0.499	C	S	.	.	S	Bend	trans	-128.9	68.1	-175.1	-58	0	0	0	0	111.2	C116 F134 C166 E167 G172	C116-C170 VanDerWaalsContact CA-SG 3.54Å; C116-C170 HydrophobicContact CB-CB 3.85Å; C116-C170 WeakPolarHBondContact CB-SG 3.3Å; C116-C170 WeakPolarHBondContact SG-CA 3.36Å; C116-C170 WeakPolarHBondContact SG-CB 3.4Å; C116-C170 CovalentContact SG-SG 2.02Å; C116-C170 PolarHBondContact SG-SG 2.73Å; F134-C170 HydrophobicContact CB-CB 3.86Å; F134-C170 HydrophobicContact CD1-CB 4.03Å; F134-C170 HydrophobicContact CD2-CB 3.3Å; F134-C170 HydrophobicContact CE1-CB 4.36Å; F134-C170 HydrophobicContact CE2-CB 3.72Å; F134-C170 WeakPolarHBondContact CE2-O 3.33Å; F134-C170 HydrophobicContact CG-CB 3.45Å; F134-C170 VanDerWaalsContact CG-CB 3.45Å; F134-C170 HydrophobicContact CZ-CB 4.21Å; C166-C170 WeakPolarHBondContact O-CA 3.27Å; C166-C170 VanDerWaalsContact O-CB 3.29Å; C166-C170 WeakPolarHBondContact O-CB 3.19Å; C166-C170 PolarHBondContact O-N 2.89Å; E167-C170 CarbonylContact O-C 3.46Å; E167-C170 VanDerWaalsContact O-C 3.29Å; C170-G172 PolarHBondContact O-N 3.04Å
171	P	55.9	Low	50.5	Low	93 Å²	93	90.9 Å²	90.9	60%	0.604	47%	0.471	S	S	*	.			trans	-61.6	103.1	-176.6	21.3	-30.8	0	0	0	110.9	E167 A169 K173	E167-P171 WeakPolarHBondContact O-CA 3.43Å; E167-P171 VanDerWaalsContact O-N 3.09Å; A169-P171 VanDerWaalsContact C-CD 3.49Å; P171-K173 VanDerWaalsContact C-N 3.31Å; P171-K173 PolarHBondContact O-N 3.17Å
172	G	44.9	Very low	50.1	Low	38 Å²	38	87 Å²	87	39%	0.392	46%	0.455	S	S	.	.			trans	-72	81.4	178.7	0	0	0	0	0	111	S139 C170	S139-G172 WeakPolarHBondContact O-CA 3.14Å; C170-G172 PolarHBondContact O-N 3.04Å
173	K	36.7	Very low	49.3	Very low	191 Å²	191	91.7 Å²	91.7	83%	0.83	48%	0.479	S	S	*	.			trans	-172.3	102	150.2	-104.5	163.5	-172	-177.6	0	107.5	P171	P171-K173 VanDerWaalsContact C-N 3.31Å; P171-K173 PolarHBondContact O-N 3.17Å
174	G	32.4	Very low	48.2	Very low	72 Å²	72	93.3 Å²	93.3	74%	0.742	49%	0.488	S	S	*	.			trans	-51.6	152.4	171.1	0	0	0	0	0	111.4
175	R	26.2	Very low	46.8	Very low	233 Å²	233	92.6 Å²	92.6	88%	0.879	49%	0.494	S	S	*	.			trans	67.5	55.3	158.1	-146.7	179.4	172.9	117.3	2.8	113.1	R177	R175-R177 PolarHBondContact O-N 3.31Å
176	L	28.7	Very low	45.9	Very low	151 Å²	151	94.6 Å²	94.6	79%	0.791	51%	0.509	S	S	*	.			trans	-57.2	98.6	146.7	-82.6	165.3	0	0	0	106.1	L178	L176-L178 PolarHBondContact O-N 3.47Å; L176-L178 VanDerWaalsContact O-N 3.17Å
177	R	28.6	Very low	45.2	Very low	189 Å²	189	99.2 Å²	99.2	71%	0.713	53%	0.533	S	S	*	.			trans	-46.7	122.9	174.7	-122.4	178	176.9	169.8	-1.5	105.6	R175 Q179 S180	R175-R177 PolarHBondContact O-N 3.31Å; R177-Q179 HydrophobicContact CB-CB 4.07Å; R177-Q179 HydrophobicContact CG-CB 4.43Å; R177-Q179 PolarHBondContact O-N 3.45Å; R177-S180 PolarHBondContact O-N 2.79Å; R177-S180 PolarHBondContact O-OG 2.04Å
178	L	34.4	Very low	44.8	Very low	86 Å²	86	96.8 Å²	96.8	45%	0.45	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-26.1	171.7	-172.7	66.3	0	0	0	111.9	L176 S180 I181 I182	L176-L178 PolarHBondContact O-N 3.47Å; L176-L178 VanDerWaalsContact O-N 3.17Å; L178-S180 PolarHBondContact O-N 2.95Å; L178-I181 PolarHBondContact O-N 3.4Å; L178-I182 HydrophobicContact CD2-CD1 4.4Å; L178-I182 HydrophobicContact CG-CD1 3.99Å; L178-I182 WeakPolarHBondContact O-CG1 3.48Å; L178-I182 PolarHBondContact O-N 2.81Å
179	Q	32.7	Very low	44.9	Very low	101 Å²	101	97 Å²	97	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-49	-43.1	171.1	-142.4	66.5	37.4	0	0	115.4	R177 I181 I182 D183	R177-Q179 HydrophobicContact CB-CB 4.07Å; R177-Q179 HydrophobicContact CG-CB 4.43Å; R177-Q179 PolarHBondContact O-N 3.45Å; Q179-I181 VanDerWaalsContact C-N 3.28Å; Q179-I181 PolarHBondContact O-N 2.86Å; Q179-I182 WeakPolarHBondContact O-CB 3.07Å; Q179-I182 PolarHBondContact O-N 3.23Å; Q179-D183 PolarHBondContact O-N 3.24Å
180	S	38.8	Very low	44.8	Very low	58 Å²	58	105.3 Å²	105.3	41%	0.406	55%	0.553	S	S	.	*	H	α-helix	trans	-72.5	-21.6	-175.4	66.5	0	0	0	0	113.7	R177 L178	R177-S180 PolarHBondContact O-N 2.79Å; R177-S180 PolarHBondContact O-OG 2.04Å; L178-S180 PolarHBondContact O-N 2.95Å
181	I	37.7	Very low	44.6	Very low	48 Å²	48	108.7 Å²	108.7	25%	0.246	58%	0.577	C	S	.	*	H	α-helix	trans	-80.9	-32	171.1	-63.4	172.1	0	0	0	110.1	L178 Q179 D183 A200	L178-I181 PolarHBondContact O-N 3.4Å; Q179-I181 VanDerWaalsContact C-N 3.28Å; Q179-I181 PolarHBondContact O-N 2.86Å; I181-D183 VanDerWaalsContact C-N 3.33Å; I181-A200 HydrophobicContact CD1-CB 4.41Å
182	I	41.8	Very low	45.4	Very low	58 Å²	58	107.2 Å²	107.2	30%	0.297	56%	0.562	S	S	.	*	H	α-helix	trans	-68.1	-35	175.7	-65	165.8	0	0	0	110.8	L178 Q179 Q184 L253	L178-I182 HydrophobicContact CD2-CD1 4.4Å; L178-I182 HydrophobicContact CG-CD1 3.99Å; L178-I182 WeakPolarHBondContact O-CG1 3.48Å; L178-I182 PolarHBondContact O-N 2.81Å; Q179-I182 WeakPolarHBondContact O-CB 3.07Å; Q179-I182 PolarHBondContact O-N 3.23Å; I182-Q184 VanDerWaalsContact C-N 3.31Å; I182-Q184 PolarHBondContact O-N 2.99Å; I182-L253 HydrophobicContact CD1-CD2 3.85Å; I182-L253 HydrophobicContact CG1-CD2 3.83Å; I182-L253 HydrophobicContact CG2-CD2 4.21Å
183	D	42.2	Very low	46.7	Very low	108 Å²	108	107.2 Å²	107.2	58%	0.578	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	0.2	-175.1	-61.2	-25.2	0	0	0	114.2	Q179 I181	Q179-D183 PolarHBondContact O-N 3.24Å; I181-D183 VanDerWaalsContact C-N 3.33Å
184	Q	44.9	Very low	48.6	Very low	128 Å²	128	100.1 Å²	100.1	60%	0.598	52%	0.524	S	S	*	.			trans	-129.4	85.7	-179.8	-62.4	-130.4	-48.1	0	0	112.4	I182 D186 I187	I182-Q184 VanDerWaalsContact C-N 3.31Å; I182-Q184 PolarHBondContact O-N 2.99Å; Q184-D186 PolarHBondContact O-N 2.87Å; Q184-I187 HydrophobicContact CB-CD1 3.99Å; Q184-I187 HydrophobicContact CB-CG1 4.17Å
185	P	40.8	Very low	50.8	Low	112 Å²	112	97.3 Å²	97.3	73%	0.727	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19	-178.3	-17.8	30.8	0	0	0	114.3	I187	P185-I187 PolarHBondContact O-N 2.78Å
186	D	48.3	Very low	53.4	Low	153 Å²	153	87.7 Å²	87.7	82%	0.818	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-92	12.3	-171.6	-67.6	-34.7	0	0	0	115.1	Q184 C188	Q184-D186 PolarHBondContact O-N 2.87Å; D186-C188 PolarHBondContact O-N 2.97Å
187	I	62.2	Low	55.8	Low	97 Å²	97	80.6 Å²	80.6	50%	0.497	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-65.1	-29.8	177.9	-75.9	171.4	0	0	0	111.9	Q184 P185	Q184-I187 HydrophobicContact CB-CD1 3.99Å; Q184-I187 HydrophobicContact CB-CG1 4.17Å; P185-I187 PolarHBondContact O-N 2.78Å
188	C	64.8	Low	58.1	Low	15 Å²	15	73.3 Å²	73.3	10%	0.101	40%	0.401	C	S	.	.	S	Bend	trans	-97.1	142.4	176.8	-58.4	0	0	0	0	110.7	D186 H192 C194 C205	D186-C188 PolarHBondContact O-N 2.97Å; C188-H192 HydrophobicContact CB-CB 4.05Å; C188-C194 VanDerWaalsContact SG-CA 3.52Å; C188-C205 WeakPolarHBondContact CA-SG 3.36Å; C188-C205 HydrophobicContact CB-CB 3.85Å; C188-C205 WeakPolarHBondContact CB-SG 3.47Å; C188-C205 WeakPolarHBondContact SG-CA 3.44Å; C188-C205 WeakPolarHBondContact SG-CB 3.4Å; C188-C205 CovalentContact SG-SG 2.04Å; C188-C205 PolarHBondContact SG-SG 3.31Å
189	S	66.9	Low	59.7	Low	70 Å²	70	72.6 Å²	72.6	49%	0.49	40%	0.4	S	S	.	.			trans	-59.3	158.5	174.6	65.8	0	0	0	0	111.2	S191 H192	S189-S191 PolarHBondContact O-N 2.83Å; S189-S191 PolarHBondContact OG-OG 2.95Å; S189-H192 WeakPolarHBondContact O-CA 3.38Å; S189-H192 PolarHBondContact O-N 3.31Å; S189-H192 PolarHBondContact OG-ND1 3.01Å
190	Q	61.3	Low	60.7	Low	207 Å²	207	70.9 Å²	70.9	97%	0.967	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.4	-177.5	-70.3	178.5	-5	0	0	114.9
191	S	66.4	Low	61.5	Low	75 Å²	75	72.2 Å²	72.2	52%	0.524	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.2	176.1	60.8	0	0	0	0	114.1	S189 A208	S189-S191 PolarHBondContact O-N 2.83Å; S189-S191 PolarHBondContact OG-OG 2.95Å; S191-A208 WeakPolarHBondContact O-CB 3.33Å; S191-A208 PolarHBondContact O-N 3.11Å
192	H	72.5	Confident	63.1	Low	61 Å²	61	72.5 Å²	72.5	28%	0.282	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.3	-177.6	-70.2	66.5	0	0	0	111.1	C188 S189 C205 C206	C188-H192 HydrophobicContact CB-CB 4.05Å; S189-H192 WeakPolarHBondContact O-CA 3.38Å; S189-H192 PolarHBondContact O-N 3.31Å; S189-H192 PolarHBondContact OG-ND1 3.01Å; H192-C205 HydrophobicContact CB-CB 4.23Å; H192-C206 CarbonylContact C-O 3.44Å; H192-C206 WeakPolarHBondContact CA-O 3Å; H192-C206 VanDerWaalsContact CB-O 3.29Å; H192-C206 WeakPolarHBondContact CB-O 3.03Å; H192-C206 VanDerWaalsContact CD2-C 3.42Å
193	W	72.1	Confident	64.7	Low	39 Å²	39	70.7 Å²	70.7	15%	0.148	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.1	171.9	76.3	-78.2	0	0	0	110.5	H195 C205 C206 A208 N248 Q249	W193-H195 HydrophobicContact CE3-CB 4.48Å; W193-H195 HydrophobicContact CH2-CB 3.77Å; W193-H195 AromaticContact CH2-CD2 3.6Å; W193-H195 HydrophobicContact CZ2-CB 3.83Å; W193-H195 AromaticContact CZ2-CD2 3.87Å; W193-H195 HydrophobicContact CZ3-CB 4.13Å; W193-H195 PolarHBondContact O-N 3.45Å; W193-C205 CarbonylContact O-C 3.19Å; W193-C205 WeakPolarHBondContact O-CA 3.18Å; W193-C206 PolarHBondContact N-O 3.09Å; W193-C206 VanDerWaalsContact NE1-CB 3.32Å; W193-C206 PolarHBondContact O-N 3.06Å; W193-A208 HydrophobicContact CB-CB 4.44Å; W193-N248 VanDerWaalsContact CH2-O 3.27Å; W193-N248 WeakPolarHBondContact CH2-O 3.45Å; W193-N248 VanDerWaalsContact CZ2-C 3.49Å; W193-Q249 HydrophobicContact CB-CG 4.1Å; W193-Q249 HydrophobicContact CD2-CB 3.96Å; W193-Q249 HydrophobicContact CD2-CG 3.45Å; W193-Q249 VanDerWaalsContact CD2-CG 3.45Å; W193-Q249 HydrophobicContact CE3-CB 4.43Å; W193-Q249 HydrophobicContact CE3-CG 3.8Å; W193-Q249 HydrophobicContact CG-CB 4.3Å; W193-Q249 VanDerWaalsContact CG-CD 3.45Å; W193-Q249 HydrophobicContact CG-CG 3.56Å; W193-Q249 HydrophobicContact CH2-CB 4.41Å; W193-Q249 VanDerWaalsContact CZ2-CA 3.44Å; W193-Q249 HydrophobicContact CZ2-CB 3.95Å; W193-Q249 HydrophobicContact CZ2-CG 4.35Å; W193-Q249 HydrophobicContact CZ3-CG 4.35Å
194	C	76.6	Confident	66.2	Low	42 Å²	42	69 Å²	69	28%	0.284	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	103.7	175.6	-169.8	0	0	0	0	109.8	C188 I196	C188-C194 VanDerWaalsContact SG-CA 3.52Å; C194-I196 PolarHBondContact O-N 3.21Å
195	H	79.9	Confident	67.7	Low	12 Å²	12	65.1 Å²	65.1	6%	0.056	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.2	169.9	169.8	-79.3	0	0	0	109.1	W193 L202 S203 V204 Y242 G246	W193-H195 HydrophobicContact CE3-CB 4.48Å; W193-H195 HydrophobicContact CH2-CB 3.77Å; W193-H195 AromaticContact CH2-CD2 3.6Å; W193-H195 HydrophobicContact CZ2-CB 3.83Å; W193-H195 AromaticContact CZ2-CD2 3.87Å; W193-H195 HydrophobicContact CZ3-CB 4.13Å; W193-H195 PolarHBondContact O-N 3.45Å; H195-L202 PolarHBondContact CE1-O 2.99Å; H195-L202 PolarHBondContact ND1-O 3.1Å; H195-S203 CarbonylContact O-C 3.52Å; H195-S203 WeakPolarHBondContact O-CA 3.4Å; H195-V204 HydrophobicContact CB-CG2 4.33Å; H195-V204 WeakPolarHBondContact CB-O 3.31Å; H195-V204 PolarHBondContact N-O 3.14Å; H195-V204 PolarHBondContact O-N 3.24Å; H195-Y242 PolarHBondContact CE1-OH 2.85Å; H195-Y242 AromaticContact NE2-CZ 3.79Å; H195-Y242 PolarHBondContact NE2-OH 2.75Å; H195-G246 PolarHBondContact NE2-O 3.33Å
196	I	79.4	Confident	69.5	Low	31 Å²	31	60.4 Å²	60.4	16%	0.159	35%	0.353	C	S	.	.			trans	-98.4	102.3	180	-55.9	178.6	0	0	0	110.4	C194 R227 L253	C194-I196 PolarHBondContact O-N 3.21Å; I196-R227 PolarHBondContact O-NH1 3.35Å; I196-L253 HydrophobicContact CD1-CD2 4.46Å
197	G	80	Confident	70.8	Confident	2 Å²	2	56 Å²	56	2%	0.021	33%	0.332	C	S	.	.			trans	-79.2	-170.9	176.5	0	0	0	0	0	114	T199 L202 S203 G244	G197-T199 VanDerWaalsContact C-N 3.29Å; G197-L202 WeakPolarHBondContact CA-O 3.37Å; G197-L202 PolarHBondContact N-O 3.32Å; G197-S203 PolarHBondContact N-OG 3.14Å; G197-G244 CarbonylContact C-O 3.52Å; G197-G244 VanDerWaalsContact CA-O 3.32Å; G197-G244 WeakPolarHBondContact CA-O 3.47Å
198	A	76.4	Confident	71.3	Confident	36 Å²	36	53.2 Å²	53.2	30%	0.298	32%	0.324	S	S	.	.	S	Bend	trans	-71.3	-22.7	174.9	0	0	0	0	0	114.2	L202 S223 L225 G244	A198-L202 HydrophobicContact CB-CD1 4.31Å; A198-S223 WeakPolarHBondContact CB-OG 3.37Å; A198-L225 HydrophobicContact CB-CD1 3.89Å; A198-G244 PolarHBondContact N-O 3.03Å
199	T	67.7	Low	72	Confident	71 Å²	71	56.2 Å²	56.2	44%	0.436	34%	0.342	S	S	.	.	S	Bend	trans	-134.4	159.1	-179.6	67.6	0	0	0	0	108.7	G197 V201 L202 S203	G197-T199 VanDerWaalsContact C-N 3.29Å; T199-V201 PolarHBondContact O-N 3.22Å; T199-V201 VanDerWaalsContact O-N 3.13Å; T199-L202 CarbonylContact O-C 3.42Å; T199-L202 WeakPolarHBondContact O-CA 3.46Å; T199-L202 PolarHBondContact O-N 2.77Å; T199-L202 WeakPolarHBondContact OG1-CG 2.97Å; T199-L202 PolarHBondContact OG1-N 3.42Å; T199-S203 PolarHBondContact O-N 2.84Å; T199-S203 VanDerWaalsContact O-N 3.16Å; T199-S203 PolarHBondContact O-OG 3.44Å
200	A	55	Low	72.8	Confident	65 Å²	65	56.7 Å²	56.7	54%	0.537	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-55.4	-30.9	176.4	0	0	0	0	0	112.8	I181 L202 S203	I181-A200 HydrophobicContact CD1-CB 4.41Å; A200-L202 VanDerWaalsContact C-N 3.31Å; A200-L202 PolarHBondContact O-N 3.28Å; A200-S203 PolarHBondContact O-N 3.35Å
201	V	55.5	Low	74	Confident	86 Å²	86	46.8 Å²	46.8	52%	0.521	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-70.3	-28	176.6	-179.1	0	0	0	0	112.3	A110 T199 S203	A110-V201 HydrophobicContact CB-CG1 3.84Å; T199-V201 PolarHBondContact O-N 3.22Å; T199-V201 VanDerWaalsContact O-N 3.13Å; V201-S203 VanDerWaalsContact C-N 3.31Å
202	L	71.2	Confident	75.1	Confident	54 Å²	54	43.4 Å²	43.4	28%	0.283	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-89.8	-1.5	175.2	-61.7	174	0	0	0	112.1	H195 G197 A198 T199 A200 G244 R245	H195-L202 PolarHBondContact CE1-O 2.99Å; H195-L202 PolarHBondContact ND1-O 3.1Å; G197-L202 WeakPolarHBondContact CA-O 3.37Å; G197-L202 PolarHBondContact N-O 3.32Å; A198-L202 HydrophobicContact CB-CD1 4.31Å; T199-L202 CarbonylContact O-C 3.42Å; T199-L202 WeakPolarHBondContact O-CA 3.46Å; T199-L202 PolarHBondContact O-N 2.77Å; T199-L202 WeakPolarHBondContact OG1-CG 2.97Å; T199-L202 PolarHBondContact OG1-N 3.42Å; A200-L202 VanDerWaalsContact C-N 3.31Å; A200-L202 PolarHBondContact O-N 3.28Å; L202-G244 WeakPolarHBondContact CD1-O 3.36Å; L202-R245 HydrophobicContact CD1-CB 4.3Å; L202-R245 HydrophobicContact CD2-CG 4.17Å
203	S	73.8	Confident	75.8	Confident	21 Å²	21	47.3 Å²	47.3	15%	0.147	29%	0.287	C	S	.	.			trans	-92.6	107.4	174.4	-62.6	0	0	0	0	110.1	H195 G197 T199 A200 V201	H195-S203 CarbonylContact O-C 3.52Å; H195-S203 WeakPolarHBondContact O-CA 3.4Å; G197-S203 PolarHBondContact N-OG 3.14Å; T199-S203 PolarHBondContact O-N 2.84Å; T199-S203 VanDerWaalsContact O-N 3.16Å; T199-S203 PolarHBondContact O-OG 3.44Å; A200-S203 PolarHBondContact O-N 3.35Å; V201-S203 VanDerWaalsContact C-N 3.31Å
204	V	74.5	Confident	76.5	Confident	72 Å²	72	47.5 Å²	47.5	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.4	-168.4	-66.8	0	0	0	0	111.5	H195	H195-V204 HydrophobicContact CB-CG2 4.33Å; H195-V204 WeakPolarHBondContact CB-O 3.31Å; H195-V204 PolarHBondContact N-O 3.14Å; H195-V204 PolarHBondContact O-N 3.24Å
205	C	77.5	Confident	77.1	Confident	47 Å²	47	50 Å²	50	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.7	172.3	-63.9	0	0	0	0	110.7	C188 H192 W193	C188-C205 WeakPolarHBondContact CA-SG 3.36Å; C188-C205 HydrophobicContact CB-CB 3.85Å; C188-C205 WeakPolarHBondContact CB-SG 3.47Å; C188-C205 WeakPolarHBondContact SG-CA 3.44Å; C188-C205 WeakPolarHBondContact SG-CB 3.4Å; C188-C205 CovalentContact SG-SG 2.04Å; C188-C205 PolarHBondContact SG-SG 3.31Å; H192-C205 HydrophobicContact CB-CB 4.23Å; W193-C205 CarbonylContact O-C 3.19Å; W193-C205 WeakPolarHBondContact O-CA 3.18Å
206	C	76.8	Confident	77.6	Confident	13 Å²	13	52.6 Å²	52.6	9%	0.088	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.9	-178.5	-65.1	0	0	0	0	110.9	I100 H192 W193 A208	I100-C206 HydrophobicContact CD1-CB 3.33Å; I100-C206 WeakPolarHBondContact CD1-SG 3.37Å; H192-C206 CarbonylContact C-O 3.44Å; H192-C206 WeakPolarHBondContact CA-O 3Å; H192-C206 VanDerWaalsContact CB-O 3.29Å; H192-C206 WeakPolarHBondContact CB-O 3.03Å; H192-C206 VanDerWaalsContact CD2-C 3.42Å; W193-C206 PolarHBondContact N-O 3.09Å; W193-C206 VanDerWaalsContact NE1-CB 3.32Å; W193-C206 PolarHBondContact O-N 3.06Å; C206-A208 PolarHBondContact O-N 3.35Å
207	P	76.6	Confident	78.2	Confident	60 Å²	60	54 Å²	54	39%	0.39	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	129	176.6	-25.3	35	0	0	0	110.3	I100	I100-P207 HydrophobicContact CD1-CG 4.45Å; I100-P207 HydrophobicContact CG1-CG 3.99Å; I100-P207 HydrophobicContact CG2-CG 4.35Å
208	A	72.2	Confident	78.7	Confident	39 Å²	39	60.4 Å²	60.4	32%	0.322	35%	0.352	S	S	.	.			trans	-78.5	133.6	-179.5	0	0	0	0	0	110.1	S191 W193 C206	S191-A208 WeakPolarHBondContact O-CB 3.33Å; S191-A208 PolarHBondContact O-N 3.11Å; W193-A208 HydrophobicContact CB-CB 4.44Å; C206-A208 PolarHBondContact O-N 3.35Å
209	T	79.3	Confident	79.2	Confident	78 Å²	78	59.7 Å²	59.7	48%	0.479	35%	0.348	S	S	.	.			trans	-122.4	174.5	164.5	51.5	0	0	0	0	108	P211 L214 Q249	T209-P211 WeakPolarHBondContact O-CD 3.25Å; T209-P211 VanDerWaalsContact O-N 3.11Å; T209-L214 WeakPolarHBondContact OG1-CD1 3.07Å; T209-Q249 PolarHBondContact O-OE1 2.87Å
210	D	85.2	Confident	79.8	Confident	79 Å²	79	61.2 Å²	61.2	42%	0.422	35%	0.354	S	S	.	.			trans	-65.9	109.9	170.3	-179	0.3	0	0	0	109.5	C212 Q213	D210-C212 PolarHBondContact O-N 3.31Å; D210-C212 WeakPolarHBondContact OD1-CB 3.35Å; D210-C212 PolarHBondContact OD1-N 3.03Å; D210-C212 PolarHBondContact OD1-SG 2.87Å; D210-C212 VanDerWaalsContact OD1-SG 3.34Å; D210-Q213 HydrophobicContact CB-CG 4.21Å; D210-Q213 PolarHBondContact O-N 2.04Å; D210-Q213 WeakPolarHBondContact OD2-CG 3.21Å
211	P	85.7	Confident	81.1	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-61.7	-27.7	-179.5	22.3	-29.5	0	0	0	113.1	T209 Q213 L214 Q249 N250 F252 R261	T209-P211 WeakPolarHBondContact O-CD 3.25Å; T209-P211 VanDerWaalsContact O-N 3.11Å; P211-Q213 PolarHBondContact O-N 2.86Å; P211-L214 PolarHBondContact O-N 3.11Å; P211-L214 VanDerWaalsContact O-N 3.17Å; P211-Q249 HydrophobicContact CB-CB 3.96Å; P211-Q249 HydrophobicContact CB-CG 3.81Å; P211-Q249 WeakPolarHBondContact CB-O 3.25Å; P211-Q249 HydrophobicContact CG-CG 4.3Å; P211-N250 WeakPolarHBondContact O-CB 3.23Å; P211-F252 HydrophobicContact CB-CE2 4.43Å; P211-F252 HydrophobicContact CB-CZ 3.76Å; P211-F252 HydrophobicContact CG-CE1 4.44Å; P211-F252 HydrophobicContact CG-CZ 3.89Å; P211-R261 HydrophobicContact CG-CG 3.74Å
212	C	89.3	Confident	82.4	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.02	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-74.6	-14.1	-170.7	-43	0	0	0	0	112.3	D210 Y230 C262	D210-C212 PolarHBondContact O-N 3.31Å; D210-C212 WeakPolarHBondContact OD1-CB 3.35Å; D210-C212 PolarHBondContact OD1-N 3.03Å; D210-C212 PolarHBondContact OD1-SG 2.87Å; D210-C212 VanDerWaalsContact OD1-SG 3.34Å; C212-Y230 HydrophobicContact CB-CD1 3.67Å; C212-Y230 HydrophobicContact CB-CE1 3.88Å; C212-Y230 HydrophobicContact CB-CG 4.38Å; C212-Y230 VanDerWaalsContact O-CD1 3.32Å; C212-Y230 WeakPolarHBondContact O-CD1 3.5Å; C212-C262 VanDerWaalsContact CA-SG 3.52Å; C212-C262 HydrophobicContact CB-CB 3.9Å; C212-C262 WeakPolarHBondContact CB-SG 3.16Å; C212-C262 WeakPolarHBondContact SG-CA 3.05Å; C212-C262 WeakPolarHBondContact SG-CB 3.02Å; C212-C262 CovalentContact SG-SG 2.04Å; C212-C262 PolarHBondContact SG-SG 2.73Å
213	Q	86.6	Confident	82.7	Confident	143 Å²	143	62.3 Å²	62.3	67%	0.668	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-98	-7.5	175.8	-56.3	-59.4	-32.3	0	0	113.1	D210 P211	D210-Q213 HydrophobicContact CB-CG 4.21Å; D210-Q213 PolarHBondContact O-N 2.04Å; D210-Q213 WeakPolarHBondContact OD2-CG 3.21Å; P211-Q213 PolarHBondContact O-N 2.86Å
214	L	88.4	Confident	83.1	Confident	44 Å²	44	66.9 Å²	66.9	23%	0.23	38%	0.382	C	S	.	.	S	Bend	trans	-86.2	143.3	-176.6	-58.7	173.3	0	0	0	110.7	T209 P211 N248 Q249 N250	T209-L214 WeakPolarHBondContact OG1-CD1 3.07Å; P211-L214 PolarHBondContact O-N 3.11Å; P211-L214 VanDerWaalsContact O-N 3.17Å; L214-N248 HydrophobicContact CD1-CB 4.03Å; L214-Q249 HydrophobicContact CD1-CB 3.73Å; L214-N250 HydrophobicContact CB-CB 4.02Å; L214-N250 PolarHBondContact O-ND2 2.62Å
215	P	89	Confident	83.6	Confident	95 Å²	95	65.7 Å²	65.7	62%	0.617	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-69	158.8	175.1	29.4	-35.3	0	0	0	111.6	N217 N248	P215-N217 PolarHBondContact O-N 3.07Å; P215-N248 PolarHBondContact O-ND2 2.8Å; P215-N248 PolarHBondContact O-OD1 3.13Å
216	L	90.5	Very high	83.9	Confident	65 Å²	65	68.3 Å²	68.3	34%	0.34	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-55.2	123.8	167.9	172.8	102.5	0	0	0	110	R218 Y229 F240	L216-R218 HydrophobicContact CD2-CG 4.21Å; L216-Y229 HydrophobicContact CB-CD2 3.94Å; L216-Y229 HydrophobicContact CB-CE2 3.94Å; L216-Y229 HydrophobicContact CB-CG 4.37Å; L216-Y229 HydrophobicContact CD1-CD1 3.29Å; L216-Y229 HydrophobicContact CD1-CD2 3.93Å; L216-Y229 HydrophobicContact CD1-CE1 3.48Å; L216-Y229 VanDerWaalsContact CD1-CE1 3.48Å; L216-Y229 HydrophobicContact CD1-CE2 4.09Å; L216-Y229 HydrophobicContact CD1-CG 3.53Å; L216-F240 HydrophobicContact CD1-CB 3.67Å; L216-F240 HydrophobicContact CD1-CD1 3.93Å; L216-F240 HydrophobicContact CD1-CD2 3.7Å; L216-F240 HydrophobicContact CD1-CE1 4.48Å; L216-F240 HydrophobicContact CD1-CE2 4.27Å; L216-F240 HydrophobicContact CD1-CG 3.49Å; L216-F240 VanDerWaalsContact CD1-CG 3.49Å
217	N	91.4	Very high	84.7	Confident	61 Å²	61	68.2 Å²	68.2	33%	0.326	39%	0.385	S	S	.	.			trans	-125.4	109.4	172.2	-170.9	-25	0	0	0	110.7	P215 G219 N248	P215-N217 PolarHBondContact O-N 3.07Å; N217-G219 PolarHBondContact O-N 3.29Å; N217-G219 PolarHBondContact OD1-N 2.73Å; N217-N248 HydrophobicContact CB-CB 4.41Å
218	R	89.4	Confident	85.3	Confident	136 Å²	136	68.9 Å²	68.9	51%	0.513	38%	0.38	S	S	.	.			trans	-66.7	-14.4	-179.8	-69.1	179.9	176.2	-110.5	2.6	113.3	L216 F240 Y242 T243	L216-R218 HydrophobicContact CD2-CG 4.21Å; R218-F240 HydrophobicContact CG-CD2 4.27Å; R218-Y242 VanDerWaalsContact O-CD2 3.31Å; R218-Y242 WeakPolarHBondContact O-CD2 3.31Å; R218-T243 HydrophobicContact CB-CG2 4.45Å; R218-T243 VanDerWaalsContact O-CB 3.29Å; R218-T243 WeakPolarHBondContact O-CB 3.42Å; R218-T243 VanDerWaalsContact O-CG2 3.3Å; R218-T243 WeakPolarHBondContact O-CG2 3.2Å; R218-T243 PolarHBondContact O-N 2.79Å; R218-T243 PolarHBondContact O-OG1 2.74Å
219	G	87.6	Confident	86.3	Confident	21 Å²	21	69.3 Å²	69.3	22%	0.216	37%	0.374	C	S	.	.			trans	77.1	-174.8	-169.9	0	0	0	0	0	112.5	N217 T243 R245	N217-G219 PolarHBondContact O-N 3.29Å; N217-G219 PolarHBondContact OD1-N 2.73Å; G219-T243 VanDerWaalsContact CA-OG1 3.27Å; G219-T243 WeakPolarHBondContact CA-OG1 3.39Å; G219-T243 PolarHBondContact O-OG1 3.2Å; G219-R245 CarbonylContact C-O 3.58Å; G219-R245 WeakPolarHBondContact CA-O 3.33Å
220	N	80.9	Confident	86.8	Confident	104 Å²	104	66.2 Å²	66.2	56%	0.556	35%	0.353	S	S	*	.	S	Bend	trans	-126	20.9	-177.1	67.6	-10.4	0	0	0	113.3	T243 R245	N220-T243 PolarHBondContact N-OG1 3.43Å; N220-T243 VanDerWaalsContact N-OG1 3.14Å; N220-R245 PolarHBondContact N-O 3.15Å; N220-R245 PolarHBondContact OD1-O 2.72Å
221	G	82.7	Confident	86.9	Confident	17 Å²	17	63.2 Å²	63.2	18%	0.175	34%	0.338	C	S	.	.	S	Bend	trans	-86.2	-169.1	175.3	0	0	0	0	0	113.1	T243	G221-T243 CarbonylContact C-O 3.57Å; G221-T243 VanDerWaalsContact C-O 3.3Å; G221-T243 VanDerWaalsContact CA-O 3.26Å; G221-T243 WeakPolarHBondContact CA-O 3.32Å; G221-T243 PolarHBondContact N-OG1 3.5Å; G221-T243 VanDerWaalsContact O-CB 3.29Å; G221-T243 WeakPolarHBondContact O-CB 3.34Å
222	N	82.6	Confident	86.5	Confident	164 Å²	164	65.7 Å²	65.7	88%	0.877	36%	0.359	S	S	*	.	S	Bend	trans	-121.5	7.2	179.2	-63.4	-7.1	0	0	0	112.9	T243	N222-T243 PolarHBondContact N-O 3.01Å
223	S	76.2	Confident	85.5	Confident	46 Å²	46	71.7 Å²	71.7	32%	0.322	39%	0.391	S	S	.	.			trans	-81	167.3	175.3	-55.7	0	0	0	0	110.8	A198 T243	A198-S223 WeakPolarHBondContact CB-OG 3.37Å; S223-T243 WeakPolarHBondContact CA-O 3.36Å; S223-T243 WeakPolarHBondContact CB-O 3.1Å; S223-T243 PolarHBondContact N-O 3.02Å; S223-T243 WeakPolarHBondContact O-CA 3.24Å
224	V	82.6	Confident	84.7	Confident	117 Å²	117	66.6 Å²	66.6	71%	0.709	37%	0.369	S	S	*	.			trans	-130.4	86.1	176	178.8	0	0	0	0	106.1	S241	V224-S241 WeakPolarHBondContact CG1-OG 3.36Å
225	L	84.6	Confident	84.2	Confident	48 Å²	48	69.7 Å²	69.7	25%	0.251	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.5	-177.5	-58	168.9	0	0	0	108.3	A198 R227 Y242	A198-L225 HydrophobicContact CB-CD1 3.89Å; L225-R227 HydrophobicContact CB-CG 4.49Å; L225-R227 PolarHBondContact O-N 3.38Å; L225-Y242 HydrophobicContact CB-CD1 4.27Å; L225-Y242 HydrophobicContact CD1-CD1 3.98Å; L225-Y242 HydrophobicContact CD1-CE1 4.3Å; L225-Y242 PolarHBondContact N-O 3.39Å; L225-Y242 WeakPolarHBondContact O-CB 3.31Å; L225-Y242 PolarHBondContact O-N 3.33Å
226	V	85	Confident	83.8	Confident	101 Å²	101	67.2 Å²	67.2	61%	0.612	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.2	174.8	-177.8	0	0	0	0	108.4
227	R	92.8	Very high	83.6	Confident	11 Å²	11	64.8 Å²	64.8	4%	0.042	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	169.5	179.8	-63	-64.2	167.5	77.9	-2.5	109.6	I196 L225 S239 F240 Y242 N251 F252	I196-R227 PolarHBondContact O-NH1 3.35Å; L225-R227 HydrophobicContact CB-CG 4.49Å; L225-R227 PolarHBondContact O-N 3.38Å; R227-S239 CarbonylContact O-C 3.53Å; R227-S239 WeakPolarHBondContact O-CA 3.39Å; R227-F240 HydrophobicContact CB-CD1 4.05Å; R227-F240 HydrophobicContact CB-CE1 3.53Å; R227-F240 HydrophobicContact CB-CZ 3.92Å; R227-F240 PolarHBondContact N-O 3.36Å; R227-F240 WeakPolarHBondContact O-CD1 3.41Å; R227-F240 PolarHBondContact O-N 2.93Å; R227-Y242 HydrophobicContact CG-CD1 4.09Å; R227-Y242 HydrophobicContact CG-CG 4.14Å; R227-N251 WeakPolarHBondContact CB-OD1 3.43Å; R227-N251 WeakPolarHBondContact CG-OD1 3.19Å; R227-F252 CarbonylContact C-O 3.49Å; R227-F252 WeakPolarHBondContact CA-O 3.42Å; R227-F252 WeakPolarHBondContact CB-O 3.31Å; R227-F252 WeakPolarHBondContact CD-O 3.39Å
228	W	90.3	Very high	83.4	Confident	74 Å²	74	65.2 Å²	65.2	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.7	-178.9	-65.4	81.1	0	0	0	110	C237 L238 N251 F252 S255 C258	W228-C237 HydrophobicContact CE3-CB 4.34Å; W228-C237 WeakPolarHBondContact CZ3-O 3.03Å; W228-L238 CarbonylContact C-O 3.57Å; W228-L238 WeakPolarHBondContact CA-O 3.47Å; W228-L238 VanDerWaalsContact CE3-C 3.47Å; W228-N251 CarbonylContact O-C 3.54Å; W228-N251 WeakPolarHBondContact O-CA 3.27Å; W228-F252 HydrophobicContact CB-CB 4.15Å; W228-F252 PolarHBondContact N-O 3.06Å; W228-F252 WeakPolarHBondContact O-CD2 3.03Å; W228-F252 PolarHBondContact O-N 3.23Å; W228-S255 VanDerWaalsContact CD1-N 3.3Å; W228-C258 HydrophobicContact CB-CB 4.18Å
229	Y	92.6	Very high	83.4	Confident	48 Å²	48	62 Å²	62	19%	0.188	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.5	172.9	83.3	-77	0	0	0	109.4	L216 C237 L238 F240 N250	L216-Y229 HydrophobicContact CB-CD2 3.94Å; L216-Y229 HydrophobicContact CB-CE2 3.94Å; L216-Y229 HydrophobicContact CB-CG 4.37Å; L216-Y229 HydrophobicContact CD1-CD1 3.29Å; L216-Y229 HydrophobicContact CD1-CD2 3.93Å; L216-Y229 HydrophobicContact CD1-CE1 3.48Å; L216-Y229 VanDerWaalsContact CD1-CE1 3.48Å; L216-Y229 HydrophobicContact CD1-CE2 4.09Å; L216-Y229 HydrophobicContact CD1-CG 3.53Å; Y229-C237 CarbonylContact O-C 3.31Å; Y229-C237 WeakPolarHBondContact O-CA 3.39Å; Y229-L238 HydrophobicContact CD1-CB 4.16Å; Y229-L238 WeakPolarHBondContact CD1-O 3.34Å; Y229-L238 HydrophobicContact CE1-CB 3.61Å; Y229-L238 HydrophobicContact CE1-CD1 4.43Å; Y229-L238 PolarHBondContact N-O 3.3Å; Y229-L238 PolarHBondContact O-N 3.25Å; Y229-F240 HydrophobicContact CD1-CB 4.22Å; Y229-F240 AromaticContact CD1-CD1 3.85Å; Y229-F240 HydrophobicContact CD1-CD1 3.85Å; Y229-F240 HydrophobicContact CD1-CG 4.3Å; Y229-F240 HydrophobicContact CG-CD1 4.35Å; Y229-N250 WeakPolarHBondContact CA-OD1 3.43Å; Y229-N250 WeakPolarHBondContact CB-O 3.41Å; Y229-N250 WeakPolarHBondContact CB-OD1 3.28Å
230	Y	90.8	Very high	83.5	Confident	14 Å²	14	61.7 Å²	61.7	6%	0.055	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.2	172.7	177.7	-100.5	0	0	0	110.2	C212 A232 K235 N250 C262 P263 V264	C212-Y230 HydrophobicContact CB-CD1 3.67Å; C212-Y230 HydrophobicContact CB-CE1 3.88Å; C212-Y230 HydrophobicContact CB-CG 4.38Å; C212-Y230 VanDerWaalsContact O-CD1 3.32Å; C212-Y230 WeakPolarHBondContact O-CD1 3.5Å; Y230-A232 HydrophobicContact CE1-CB 4.15Å; Y230-K235 HydrophobicContact CE2-CB 4.37Å; Y230-N250 PolarHBondContact N-OD1 2.68Å; Y230-N250 PolarHBondContact O-ND2 2.88Å; Y230-C262 HydrophobicContact CD1-CB 4.17Å; Y230-C262 HydrophobicContact CD2-CB 3.47Å; Y230-C262 VanDerWaalsContact CD2-CB 3.47Å; Y230-C262 HydrophobicContact CE2-CB 4Å; Y230-C262 HydrophobicContact CG-CB 3.56Å; Y230-P263 VanDerWaalsContact CE2-O 3.32Å; Y230-P263 WeakPolarHBondContact CE2-O 3.17Å; Y230-P263 PolarHBondContact OH-O 3.23Å; Y230-V264 HydrophobicContact CD2-CG2 4.19Å; Y230-V264 HydrophobicContact CE2-CG2 4.38Å
231	S	86.3	Confident	83.8	Confident	15 Å²	15	58.7 Å²	58.7	11%	0.105	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	105.4	173.8	167.5	0	0	0	0	108.9	N233 T234 K235 T236	S231-N233 PolarHBondContact O-N 2.81Å; S231-N233 VanDerWaalsContact O-N 3.13Å; S231-T234 WeakPolarHBondContact CB-OG1 3.43Å; S231-T234 PolarHBondContact O-N 3.01Å; S231-T234 PolarHBondContact O-OG1 3.4Å; S231-T234 PolarHBondContact OG-N 3.26Å; S231-T234 PolarHBondContact OG-OG1 3.45Å; S231-K235 VanDerWaalsContact O-CA 3.26Å; S231-K235 WeakPolarHBondContact O-CA 3.45Å; S231-K235 PolarHBondContact O-N 3.22Å; S231-T236 PolarHBondContact N-O 2.67Å
232	A	76.3	Confident	84.1	Confident	52 Å²	52	57.9 Å²	57.9	43%	0.43	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.6	178.9	0	0	0	0	0	113.5	Y230	Y230-A232 HydrophobicContact CE1-CB 4.15Å
233	N	69.3	Low	84.4	Confident	130 Å²	130	51.4 Å²	51.4	70%	0.695	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-49.7	178	-62.2	-4	0	0	0	111.3	S231	S231-N233 PolarHBondContact O-N 2.81Å; S231-N233 VanDerWaalsContact O-N 3.13Å
234	T	70.4	Confident	84.7	Confident	35 Å²	35	49.2 Å²	49.2	22%	0.215	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.7	-178.3	62.1	0	0	0	0	113.1	S231 T236 I276	S231-T234 WeakPolarHBondContact CB-OG1 3.43Å; S231-T234 PolarHBondContact O-N 3.01Å; S231-T234 PolarHBondContact O-OG1 3.4Å; S231-T234 PolarHBondContact OG-N 3.26Å; S231-T234 PolarHBondContact OG-OG1 3.45Å; T234-T236 WeakPolarHBondContact O-CG2 3.09Å; T234-T236 PolarHBondContact O-N 3.23Å; T234-T236 PolarHBondContact OG1-N 3.41Å; T234-T236 PolarHBondContact OG1-OG1 2.62Å; T234-I276 HydrophobicContact CG2-CD1 4.24Å
235	K	77.6	Confident	84.8	Confident	109 Å²	109	50.1 Å²	50.1	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	32.2	-167.4	-57.5	-172.8	177.6	-179.4	0	113.6	Y230 S231 V264 F265	Y230-K235 HydrophobicContact CE2-CB 4.37Å; S231-K235 VanDerWaalsContact O-CA 3.26Å; S231-K235 WeakPolarHBondContact O-CA 3.45Å; S231-K235 PolarHBondContact O-N 3.22Å; K235-V264 WeakPolarHBondContact O-CA 3.48Å; K235-F265 HydrophobicContact CB-CB 3.72Å; K235-F265 PolarHBondContact O-N 3.36Å
236	T	79.7	Confident	84.7	Confident	44 Å²	44	49.2 Å²	49.2	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.4	179.6	63.8	0	0	0	0	112.2	S231 T234	S231-T236 PolarHBondContact N-O 2.67Å; T234-T236 WeakPolarHBondContact O-CG2 3.09Å; T234-T236 PolarHBondContact O-N 3.23Å; T234-T236 PolarHBondContact OG1-N 3.41Å; T234-T236 PolarHBondContact OG1-OG1 2.62Å
237	C	87	Confident	84.7	Confident	13 Å²	13	45.7 Å²	45.7	9%	0.088	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.5	170.7	-71	0	0	0	0	109.8	W228 Y229 C258 V264	W228-C237 HydrophobicContact CE3-CB 4.34Å; W228-C237 WeakPolarHBondContact CZ3-O 3.03Å; Y229-C237 CarbonylContact O-C 3.31Å; Y229-C237 WeakPolarHBondContact O-CA 3.39Å; C237-C258 HydrophobicContact CB-CB 3.71Å; C237-C258 WeakPolarHBondContact CB-SG 3.43Å; C237-C258 WeakPolarHBondContact SG-CB 3.31Å; C237-C258 CovalentContact SG-SG 2.02Å; C237-C258 PolarHBondContact SG-SG 2.81Å; C237-V264 HydrophobicContact CB-CG2 4.42Å; C237-V264 WeakPolarHBondContact SG-CG2 3.35Å
238	L	86.2	Confident	84.5	Confident	70 Å²	70	46.4 Å²	46.4	37%	0.366	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.5	-178.9	-63.7	173.6	0	0	0	110.4	W228 Y229	W228-L238 CarbonylContact C-O 3.57Å; W228-L238 WeakPolarHBondContact CA-O 3.47Å; W228-L238 VanDerWaalsContact CE3-C 3.47Å; Y229-L238 HydrophobicContact CD1-CB 4.16Å; Y229-L238 WeakPolarHBondContact CD1-O 3.34Å; Y229-L238 HydrophobicContact CE1-CB 3.61Å; Y229-L238 HydrophobicContact CE1-CD1 4.43Å; Y229-L238 PolarHBondContact N-O 3.3Å; Y229-L238 PolarHBondContact O-N 3.25Å
239	S	89.1	Confident	84.4	Confident	70 Å²	70	43.7 Å²	43.7	49%	0.49	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	143.3	176	69	0	0	0	0	111.8	R227	R227-S239 CarbonylContact O-C 3.53Å; R227-S239 WeakPolarHBondContact O-CA 3.39Å
240	F	90.6	Very high	84.4	Confident	14 Å²	14	41.4 Å²	41.4	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.8	172.6	77.7	-74.5	0	0	0	111.9	L216 R218 R227 Y229 Y242 N251	L216-F240 HydrophobicContact CD1-CB 3.67Å; L216-F240 HydrophobicContact CD1-CD1 3.93Å; L216-F240 HydrophobicContact CD1-CD2 3.7Å; L216-F240 HydrophobicContact CD1-CE1 4.48Å; L216-F240 HydrophobicContact CD1-CE2 4.27Å; L216-F240 HydrophobicContact CD1-CG 3.49Å; L216-F240 VanDerWaalsContact CD1-CG 3.49Å; R218-F240 HydrophobicContact CG-CD2 4.27Å; R227-F240 HydrophobicContact CB-CD1 4.05Å; R227-F240 HydrophobicContact CB-CE1 3.53Å; R227-F240 HydrophobicContact CB-CZ 3.92Å; R227-F240 PolarHBondContact N-O 3.36Å; R227-F240 WeakPolarHBondContact O-CD1 3.41Å; R227-F240 PolarHBondContact O-N 2.93Å; Y229-F240 HydrophobicContact CD1-CB 4.22Å; Y229-F240 AromaticContact CD1-CD1 3.85Å; Y229-F240 HydrophobicContact CD1-CD1 3.85Å; Y229-F240 HydrophobicContact CD1-CG 4.3Å; Y229-F240 HydrophobicContact CG-CD1 4.35Å; F240-Y242 HydrophobicContact CE2-CD2 4.23Å; F240-Y242 HydrophobicContact CE2-CG 4.4Å; F240-Y242 HydrophobicContact CZ-CD2 4.5Å; F240-Y242 PolarHBondContact O-N 3.15Å; F240-N251 HydrophobicContact CE1-CB 4.49Å; F240-N251 HydrophobicContact CZ-CB 4.06Å
241	S	88	Confident	84.5	Confident	40 Å²	40	41.3 Å²	41.3	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	105.1	172.5	177.8	0	0	0	0	110.3	V224	V224-S241 WeakPolarHBondContact CG1-OG 3.36Å
242	Y	88.7	Confident	84.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.2	173.7	173.8	-122.1	0	0	0	111.1	H195 R218 L225 R227 F240 G244 R245 G246 N251	H195-Y242 PolarHBondContact CE1-OH 2.85Å; H195-Y242 AromaticContact NE2-CZ 3.79Å; H195-Y242 PolarHBondContact NE2-OH 2.75Å; R218-Y242 VanDerWaalsContact O-CD2 3.31Å; R218-Y242 WeakPolarHBondContact O-CD2 3.31Å; L225-Y242 HydrophobicContact CB-CD1 4.27Å; L225-Y242 HydrophobicContact CD1-CD1 3.98Å; L225-Y242 HydrophobicContact CD1-CE1 4.3Å; L225-Y242 PolarHBondContact N-O 3.39Å; L225-Y242 WeakPolarHBondContact O-CB 3.31Å; L225-Y242 PolarHBondContact O-N 3.33Å; R227-Y242 HydrophobicContact CG-CD1 4.09Å; R227-Y242 HydrophobicContact CG-CG 4.14Å; F240-Y242 HydrophobicContact CE2-CD2 4.23Å; F240-Y242 HydrophobicContact CE2-CG 4.4Å; F240-Y242 HydrophobicContact CZ-CD2 4.5Å; F240-Y242 PolarHBondContact O-N 3.15Å; Y242-G244 PolarHBondContact O-N 2.68Å; Y242-G244 VanDerWaalsContact OH-C 3.25Å; Y242-R245 VanDerWaalsContact OH-C 3.29Å; Y242-R245 WeakPolarHBondContact OH-CA 3.37Å; Y242-R245 PolarHBondContact OH-N 3.28Å; Y242-R245 VanDerWaalsContact OH-N 3.13Å; Y242-G246 WeakPolarHBondContact CE2-O 3.19Å; Y242-G246 PolarHBondContact OH-N 3.35Å; Y242-G246 PolarHBondContact OH-O 3.31Å; Y242-N251 VanDerWaalsContact CD2-ND2 3.27Å; Y242-N251 WeakPolarHBondContact CD2-ND2 3.4Å; Y242-N251 WeakPolarHBondContact CE2-ND2 3.23Å
243	T	88.3	Confident	85	Confident	28 Å²	28	41.8 Å²	41.8	17%	0.172	23%	0.232	C	C	.	.			trans	-78.6	-1.3	-173.1	61.5	0	0	0	0	114.9	R218 G219 N220 G221 N222 S223 R245	R218-T243 HydrophobicContact CB-CG2 4.45Å; R218-T243 VanDerWaalsContact O-CB 3.29Å; R218-T243 WeakPolarHBondContact O-CB 3.42Å; R218-T243 VanDerWaalsContact O-CG2 3.3Å; R218-T243 WeakPolarHBondContact O-CG2 3.2Å; R218-T243 PolarHBondContact O-N 2.79Å; R218-T243 PolarHBondContact O-OG1 2.74Å; G219-T243 VanDerWaalsContact CA-OG1 3.27Å; G219-T243 WeakPolarHBondContact CA-OG1 3.39Å; G219-T243 PolarHBondContact O-OG1 3.2Å; N220-T243 PolarHBondContact N-OG1 3.43Å; N220-T243 VanDerWaalsContact N-OG1 3.14Å; G221-T243 CarbonylContact C-O 3.57Å; G221-T243 VanDerWaalsContact C-O 3.3Å; G221-T243 VanDerWaalsContact CA-O 3.26Å; G221-T243 WeakPolarHBondContact CA-O 3.32Å; G221-T243 PolarHBondContact N-OG1 3.5Å; G221-T243 VanDerWaalsContact O-CB 3.29Å; G221-T243 WeakPolarHBondContact O-CB 3.34Å; N222-T243 PolarHBondContact N-O 3.01Å; S223-T243 WeakPolarHBondContact CA-O 3.36Å; S223-T243 WeakPolarHBondContact CB-O 3.1Å; S223-T243 PolarHBondContact N-O 3.02Å; S223-T243 WeakPolarHBondContact O-CA 3.24Å; T243-R245 VanDerWaalsContact C-N 3.32Å; T243-R245 PolarHBondContact O-N 3.32Å
244	G	82.8	Confident	85.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	85.8	-7.9	174.2	0	0	0	0	0	116	G197 A198 L202 Y242	G197-G244 CarbonylContact C-O 3.52Å; G197-G244 VanDerWaalsContact CA-O 3.32Å; G197-G244 WeakPolarHBondContact CA-O 3.47Å; A198-G244 PolarHBondContact N-O 3.03Å; L202-G244 WeakPolarHBondContact CD1-O 3.36Å; Y242-G244 PolarHBondContact O-N 2.68Å; Y242-G244 VanDerWaalsContact OH-C 3.25Å
245	R	84.9	Confident	86.4	Confident	135 Å²	135	37.5 Å²	37.5	51%	0.509	21%	0.212	S	C	.	.	S	Bend	trans	-140	134.8	177.2	-175.9	-178.9	-177.9	-169.5	-0.2	110.7	L202 G219 N220 Y242 T243	L202-R245 HydrophobicContact CD1-CB 4.3Å; L202-R245 HydrophobicContact CD2-CG 4.17Å; G219-R245 CarbonylContact C-O 3.58Å; G219-R245 WeakPolarHBondContact CA-O 3.33Å; N220-R245 PolarHBondContact N-O 3.15Å; N220-R245 PolarHBondContact OD1-O 2.72Å; Y242-R245 VanDerWaalsContact OH-C 3.29Å; Y242-R245 WeakPolarHBondContact OH-CA 3.37Å; Y242-R245 PolarHBondContact OH-N 3.28Å; Y242-R245 VanDerWaalsContact OH-N 3.13Å; T243-R245 VanDerWaalsContact C-N 3.32Å; T243-R245 PolarHBondContact O-N 3.32Å
246	G	82.9	Confident	86.6	Confident	29 Å²	29	37.3 Å²	37.3	30%	0.299	22%	0.216	S	C	.	.			trans	71.7	-155.6	-178.3	0	0	0	0	0	111.8	H195 Y242	H195-G246 PolarHBondContact NE2-O 3.33Å; Y242-G246 WeakPolarHBondContact CE2-O 3.19Å; Y242-G246 PolarHBondContact OH-N 3.35Å; Y242-G246 PolarHBondContact OH-O 3.31Å
247	G	83.9	Confident	86.7	Confident	27 Å²	27	38.8 Å²	38.8	28%	0.278	22%	0.222	S	C	.	.			trans	98.9	-168.3	-171.7	0	0	0	0	0	111.7
248	N	88.2	Confident	86.7	Confident	27 Å²	27	38.1 Å²	38.1	14%	0.144	22%	0.218	C	C	.	.			trans	-138.8	-177.8	179.9	64.5	18.8	0	0	0	109.9	W193 L214 P215 N217 N250 N251	W193-N248 VanDerWaalsContact CH2-O 3.27Å; W193-N248 WeakPolarHBondContact CH2-O 3.45Å; W193-N248 VanDerWaalsContact CZ2-C 3.49Å; L214-N248 HydrophobicContact CD1-CB 4.03Å; P215-N248 PolarHBondContact O-ND2 2.8Å; P215-N248 PolarHBondContact O-OD1 3.13Å; N217-N248 HydrophobicContact CB-CB 4.41Å; N248-N250 PolarHBondContact O-N 3.21Å; N248-N250 PolarHBondContact OD1-N 3.47Å; N248-N251 VanDerWaalsContact O-CB 3.25Å; N248-N251 WeakPolarHBondContact O-CB 3.4Å
249	Q	89.8	Confident	86.5	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.075	22%	0.222	C	C	.	.	S	Bend	trans	-69.7	-12.2	-173	-160.5	171.9	-12.4	0	0	114.1	W193 T209 P211 L214 N251	W193-Q249 HydrophobicContact CB-CG 4.1Å; W193-Q249 HydrophobicContact CD2-CB 3.96Å; W193-Q249 HydrophobicContact CD2-CG 3.45Å; W193-Q249 VanDerWaalsContact CD2-CG 3.45Å; W193-Q249 HydrophobicContact CE3-CB 4.43Å; W193-Q249 HydrophobicContact CE3-CG 3.8Å; W193-Q249 HydrophobicContact CG-CB 4.3Å; W193-Q249 VanDerWaalsContact CG-CD 3.45Å; W193-Q249 HydrophobicContact CG-CG 3.56Å; W193-Q249 HydrophobicContact CH2-CB 4.41Å; W193-Q249 VanDerWaalsContact CZ2-CA 3.44Å; W193-Q249 HydrophobicContact CZ2-CB 3.95Å; W193-Q249 HydrophobicContact CZ2-CG 4.35Å; W193-Q249 HydrophobicContact CZ3-CG 4.35Å; T209-Q249 PolarHBondContact O-OE1 2.87Å; P211-Q249 HydrophobicContact CB-CB 3.96Å; P211-Q249 HydrophobicContact CB-CG 3.81Å; P211-Q249 WeakPolarHBondContact CB-O 3.25Å; P211-Q249 HydrophobicContact CG-CG 4.3Å; L214-Q249 HydrophobicContact CD1-CB 3.73Å; Q249-N251 PolarHBondContact O-N 2.88Å
250	N	92.5	Very high	86.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	24%	0.235	C	C	.	.			trans	-80.3	55.4	172.4	-159.8	3.5	0	0	0	110.9	P211 L214 Y229 Y230 N248 F252	P211-N250 WeakPolarHBondContact O-CB 3.23Å; L214-N250 HydrophobicContact CB-CB 4.02Å; L214-N250 PolarHBondContact O-ND2 2.62Å; Y229-N250 WeakPolarHBondContact CA-OD1 3.43Å; Y229-N250 WeakPolarHBondContact CB-O 3.41Å; Y229-N250 WeakPolarHBondContact CB-OD1 3.28Å; Y230-N250 PolarHBondContact N-OD1 2.68Å; Y230-N250 PolarHBondContact O-ND2 2.88Å; N248-N250 PolarHBondContact O-N 3.21Å; N248-N250 PolarHBondContact OD1-N 3.47Å; N250-F252 WeakPolarHBondContact OD1-CE2 3.46Å
251	N	91.2	Very high	85.8	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.064	26%	0.26	C	S	.	.			trans	-151.2	85.9	-172.4	-179.1	-3	0	0	0	108.5	R227 W228 F240 Y242 N248 Q249	R227-N251 WeakPolarHBondContact CB-OD1 3.43Å; R227-N251 WeakPolarHBondContact CG-OD1 3.19Å; W228-N251 CarbonylContact O-C 3.54Å; W228-N251 WeakPolarHBondContact O-CA 3.27Å; F240-N251 HydrophobicContact CE1-CB 4.49Å; F240-N251 HydrophobicContact CZ-CB 4.06Å; Y242-N251 VanDerWaalsContact CD2-ND2 3.27Å; Y242-N251 WeakPolarHBondContact CD2-ND2 3.4Å; Y242-N251 WeakPolarHBondContact CE2-ND2 3.23Å; N248-N251 VanDerWaalsContact O-CB 3.25Å; N248-N251 WeakPolarHBondContact O-CB 3.4Å; Q249-N251 PolarHBondContact O-N 2.88Å
252	F	89.1	Confident	85.7	Confident	21 Å²	21	46 Å²	46	9%	0.092	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-95.4	146.1	-176.3	-58.4	-84	0	0	0	110.8	P211 R227 W228 N250 D257 C258 R261	P211-F252 HydrophobicContact CB-CE2 4.43Å; P211-F252 HydrophobicContact CB-CZ 3.76Å; P211-F252 HydrophobicContact CG-CE1 4.44Å; P211-F252 HydrophobicContact CG-CZ 3.89Å; R227-F252 CarbonylContact C-O 3.49Å; R227-F252 WeakPolarHBondContact CA-O 3.42Å; R227-F252 WeakPolarHBondContact CB-O 3.31Å; R227-F252 WeakPolarHBondContact CD-O 3.39Å; W228-F252 HydrophobicContact CB-CB 4.15Å; W228-F252 PolarHBondContact N-O 3.06Å; W228-F252 WeakPolarHBondContact O-CD2 3.03Å; W228-F252 PolarHBondContact O-N 3.23Å; N250-F252 WeakPolarHBondContact OD1-CE2 3.46Å; F252-D257 HydrophobicContact CB-CB 4.29Å; F252-D257 HydrophobicContact CD1-CB 4.32Å; F252-C258 HydrophobicContact CB-CB 3.72Å; F252-C258 HydrophobicContact CD1-CB 4.2Å; F252-C258 HydrophobicContact CD2-CB 3.46Å; F252-C258 VanDerWaalsContact CD2-CB 3.46Å; F252-C258 WeakPolarHBondContact CD2-SG 3.49Å; F252-C258 HydrophobicContact CE2-CB 4.08Å; F252-C258 HydrophobicContact CG-CB 3.52Å; F252-R261 HydrophobicContact CE1-CB 3.66Å; F252-R261 HydrophobicContact CE1-CG 3.86Å; F252-R261 HydrophobicContact CZ-CB 4.15Å; F252-R261 HydrophobicContact CZ-CG 4.2Å
253	L	84.5	Confident	85.1	Confident	55 Å²	55	50.4 Å²	50.4	29%	0.288	28%	0.277	S	S	.	.	S	Bend	trans	-71.4	-45.7	-179.3	-176.8	61	0	0	0	111	I182 I196	I182-L253 HydrophobicContact CD1-CD2 3.85Å; I182-L253 HydrophobicContact CG1-CD2 3.83Å; I182-L253 HydrophobicContact CG2-CD2 4.21Å; I196-L253 HydrophobicContact CD1-CD2 4.46Å
254	T	86.4	Confident	84.4	Confident	56 Å²	56	50.6 Å²	50.6	34%	0.344	28%	0.278	S	S	.	.	S	Bend	trans	-119	161.8	177.1	72.8	0	0	0	0	111.7	D256 D257 C258	T254-D256 PolarHBondContact O-N 2.04Å; T254-D256 PolarHBondContact OG1-N 2.93Å; T254-D257 WeakPolarHBondContact CB-OD2 3.35Å; T254-D257 PolarHBondContact N-OD2 3.19Å; T254-D257 PolarHBondContact O-N 2.9Å; T254-D257 PolarHBondContact OG1-N 2.92Å; T254-D257 VanDerWaalsContact OG1-N 3.09Å; T254-D257 PolarHBondContact OG1-OD1 3.03Å; T254-D257 PolarHBondContact OG1-OD2 2.61Å; T254-C258 PolarHBondContact O-N 2.82Å
255	S	83.5	Confident	83.9	Confident	20 Å²	20	52.2 Å²	52.2	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-33.1	172.5	179.8	0	0	0	0	111.3	W228 C258 K259	W228-S255 VanDerWaalsContact CD1-N 3.3Å; S255-C258 WeakPolarHBondContact O-CB 3.49Å; S255-C258 PolarHBondContact O-N 3.02Å; S255-K259 VanDerWaalsContact O-CG 3.29Å; S255-K259 WeakPolarHBondContact O-CG 3.47Å; S255-K259 PolarHBondContact O-N 2.83Å; S255-K259 VanDerWaalsContact OG-CE 3.26Å; S255-K259 WeakPolarHBondContact OG-CE 3.42Å
256	D	80.9	Confident	83.4	Confident	104 Å²	104	52.5 Å²	52.5	56%	0.556	30%	0.297	S	S	*	.	H	α-helix	trans	-75.1	-34.8	-176.1	-61.1	-31	0	0	0	111	T254 C258 K259 A260	T254-D256 PolarHBondContact O-N 2.04Å; T254-D256 PolarHBondContact OG1-N 2.93Å; D256-C258 VanDerWaalsContact C-N 3.28Å; D256-C258 PolarHBondContact O-N 3.15Å; D256-K259 PolarHBondContact O-N 2.85Å; D256-K259 IonicContact OD1-NZ 3.71Å; D256-K259 PolarHBondContact OD1-NZ 3.37Å; D256-A260 VanDerWaalsContact O-CB 3.28Å; D256-A260 WeakPolarHBondContact O-CB 3.33Å; D256-A260 PolarHBondContact O-N 3.37Å
257	D	82.6	Confident	83.3	Confident	75 Å²	75	54.5 Å²	54.5	40%	0.401	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-40.7	170	-57.1	-38.2	0	0	0	111.5	F252 T254 R261	F252-D257 HydrophobicContact CB-CB 4.29Å; F252-D257 HydrophobicContact CD1-CB 4.32Å; T254-D257 WeakPolarHBondContact CB-OD2 3.35Å; T254-D257 PolarHBondContact N-OD2 3.19Å; T254-D257 PolarHBondContact O-N 2.9Å; T254-D257 PolarHBondContact OG1-N 2.92Å; T254-D257 VanDerWaalsContact OG1-N 3.09Å; T254-D257 PolarHBondContact OG1-OD1 3.03Å; T254-D257 PolarHBondContact OG1-OD2 2.61Å; D257-R261 WeakPolarHBondContact O-CB 3.45Å; D257-R261 PolarHBondContact O-N 2.76Å; D257-R261 VanDerWaalsContact O-N 3.15Å
258	C	86.9	Confident	83.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-45.5	176.6	-178.3	0	0	0	0	111.5	W228 C237 F252 T254 S255 D256 R261 C262	W228-C258 HydrophobicContact CB-CB 4.18Å; C237-C258 HydrophobicContact CB-CB 3.71Å; C237-C258 WeakPolarHBondContact CB-SG 3.43Å; C237-C258 WeakPolarHBondContact SG-CB 3.31Å; C237-C258 CovalentContact SG-SG 2.02Å; C237-C258 PolarHBondContact SG-SG 2.81Å; F252-C258 HydrophobicContact CB-CB 3.72Å; F252-C258 HydrophobicContact CD1-CB 4.2Å; F252-C258 HydrophobicContact CD2-CB 3.46Å; F252-C258 VanDerWaalsContact CD2-CB 3.46Å; F252-C258 WeakPolarHBondContact CD2-SG 3.49Å; F252-C258 HydrophobicContact CE2-CB 4.08Å; F252-C258 HydrophobicContact CG-CB 3.52Å; T254-C258 PolarHBondContact O-N 2.82Å; S255-C258 WeakPolarHBondContact O-CB 3.49Å; S255-C258 PolarHBondContact O-N 3.02Å; D256-C258 VanDerWaalsContact C-N 3.28Å; D256-C258 PolarHBondContact O-N 3.15Å; C258-R261 PolarHBondContact O-N 2.04Å; C258-C262 WeakPolarHBondContact O-CB 3.38Å; C258-C262 PolarHBondContact O-N 3.41Å
259	K	82.6	Confident	83.3	Confident	105 Å²	105	52.4 Å²	52.4	46%	0.457	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-37.2	177.1	-70.7	166.9	-175	166.4	0	113.1	S255 D256 R261 V264	S255-K259 VanDerWaalsContact O-CG 3.29Å; S255-K259 WeakPolarHBondContact O-CG 3.47Å; S255-K259 PolarHBondContact O-N 2.83Å; S255-K259 VanDerWaalsContact OG-CE 3.26Å; S255-K259 WeakPolarHBondContact OG-CE 3.42Å; D256-K259 PolarHBondContact O-N 2.85Å; D256-K259 IonicContact OD1-NZ 3.71Å; D256-K259 PolarHBondContact OD1-NZ 3.37Å; K259-R261 VanDerWaalsContact C-N 3.32Å; K259-V264 HydrophobicContact CB-CB 4.5Å; K259-V264 HydrophobicContact CB-CG2 4.13Å; K259-V264 HydrophobicContact CG-CB 4.15Å; K259-V264 HydrophobicContact CG-CG1 4.17Å; K259-V264 HydrophobicContact CG-CG2 3.81Å
260	A	81.3	Confident	83.1	Confident	93 Å²	93	54.3 Å²	54.3	77%	0.769	30%	0.299	S	S	*	.	H	α-helix	trans	-71.4	-28.7	178.6	0	0	0	0	0	112.3	D256	D256-A260 VanDerWaalsContact O-CB 3.28Å; D256-A260 WeakPolarHBondContact O-CB 3.33Å; D256-A260 PolarHBondContact O-N 3.37Å
261	R	82.9	Confident	82.6	Confident	155 Å²	155	58.5 Å²	58.5	59%	0.585	33%	0.325	S	S	*	.	H	α-helix	trans	-94.6	-33.1	-177.1	-173.2	55.9	178	-174.4	1.8	114.2	P211 F252 D257 C258 K259	P211-R261 HydrophobicContact CG-CG 3.74Å; F252-R261 HydrophobicContact CE1-CB 3.66Å; F252-R261 HydrophobicContact CE1-CG 3.86Å; F252-R261 HydrophobicContact CZ-CB 4.15Å; F252-R261 HydrophobicContact CZ-CG 4.2Å; D257-R261 WeakPolarHBondContact O-CB 3.45Å; D257-R261 PolarHBondContact O-N 2.76Å; D257-R261 VanDerWaalsContact O-N 3.15Å; C258-R261 PolarHBondContact O-N 2.04Å; K259-R261 VanDerWaalsContact C-N 3.32Å
262	C	86	Confident	82.1	Confident	6 Å²	6	60 Å²	60	4%	0.041	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	149.4	-177.1	-69.5	0	0	0	0	111.9	C212 Y230 C258 V264	C212-C262 VanDerWaalsContact CA-SG 3.52Å; C212-C262 HydrophobicContact CB-CB 3.9Å; C212-C262 WeakPolarHBondContact CB-SG 3.16Å; C212-C262 WeakPolarHBondContact SG-CA 3.05Å; C212-C262 WeakPolarHBondContact SG-CB 3.02Å; C212-C262 CovalentContact SG-SG 2.04Å; C212-C262 PolarHBondContact SG-SG 2.73Å; Y230-C262 HydrophobicContact CD1-CB 4.17Å; Y230-C262 HydrophobicContact CD2-CB 3.47Å; Y230-C262 VanDerWaalsContact CD2-CB 3.47Å; Y230-C262 HydrophobicContact CE2-CB 4Å; Y230-C262 HydrophobicContact CG-CB 3.56Å; C258-C262 WeakPolarHBondContact O-CB 3.38Å; C258-C262 PolarHBondContact O-N 3.41Å; C262-V264 PolarHBondContact O-N 3.02Å
263	P	76.8	Confident	81.8	Confident	92 Å²	92	63.1 Å²	63.1	60%	0.597	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	82.7	177.8	29.2	-33.5	0	0	0	109.6	Y230 F265	Y230-P263 VanDerWaalsContact CE2-O 3.32Å; Y230-P263 WeakPolarHBondContact CE2-O 3.17Å; Y230-P263 PolarHBondContact OH-O 3.23Å; P263-F265 PolarHBondContact O-N 3.12Å
264	V	72	Confident	82	Confident	32 Å²	32	61 Å²	61	19%	0.194	36%	0.355	C	S	.	.			trans	-72.4	129.9	174.9	174.9	0	0	0	0	108.2	Y230 K235 C237 K259 C262 D266	Y230-V264 HydrophobicContact CD2-CG2 4.19Å; Y230-V264 HydrophobicContact CE2-CG2 4.38Å; K235-V264 WeakPolarHBondContact O-CA 3.48Å; C237-V264 HydrophobicContact CB-CG2 4.42Å; C237-V264 WeakPolarHBondContact SG-CG2 3.35Å; K259-V264 HydrophobicContact CB-CB 4.5Å; K259-V264 HydrophobicContact CB-CG2 4.13Å; K259-V264 HydrophobicContact CG-CB 4.15Å; K259-V264 HydrophobicContact CG-CG1 4.17Å; K259-V264 HydrophobicContact CG-CG2 3.81Å; C262-V264 PolarHBondContact O-N 3.02Å; V264-D266 PolarHBondContact O-N 2.96Å; V264-D266 VanDerWaalsContact O-N 3.13Å
265	F	72.8	Confident	81.9	Confident	35 Å²	35	60.4 Å²	60.4	15%	0.154	35%	0.348	C	S	.	.			trans	-64.6	110.4	169.6	174.7	-95	0	0	0	108.6	K235 P263 N267 P268 P274 I282 V309	K235-F265 HydrophobicContact CB-CB 3.72Å; K235-F265 PolarHBondContact O-N 3.36Å; P263-F265 PolarHBondContact O-N 3.12Å; F265-N267 HydrophobicContact CE1-CB 4.43Å; F265-N267 PolarHBondContact O-N 2.82Å; F265-P268 HydrophobicContact CZ-CG 4.16Å; F265-P274 HydrophobicContact CD1-CG 4.45Å; F265-P274 HydrophobicContact CE1-CG 3.43Å; F265-P274 VanDerWaalsContact CE1-CG 3.43Å; F265-P274 HydrophobicContact CZ-CG 3.91Å; F265-I282 HydrophobicContact CB-CD1 4.2Å; F265-I282 HydrophobicContact CD1-CD1 3.47Å; F265-I282 VanDerWaalsContact CD1-CD1 3.47Å; F265-I282 HydrophobicContact CD2-CD1 3.55Å; F265-I282 HydrophobicContact CE1-CD1 3.62Å; F265-I282 HydrophobicContact CE2-CD1 3.68Å; F265-I282 HydrophobicContact CG-CD1 3.43Å; F265-I282 VanDerWaalsContact CG-CD1 3.43Å; F265-I282 HydrophobicContact CZ-CD1 3.72Å; F265-I282 HydrophobicContact CZ-CG2 4.3Å; F265-V309 HydrophobicContact CE2-CG1 4.23Å; F265-V309 HydrophobicContact CZ-CG1 3.91Å; F265-V309 HydrophobicContact CZ-CG2 4.46Å
266	D	74.1	Confident	81.7	Confident	142 Å²	142	63 Å²	63	76%	0.759	36%	0.36	S	S	*	.			trans	-69.1	110.9	171.1	-83.4	-31	0	0	0	108.5	V264 P268	V264-D266 PolarHBondContact O-N 2.96Å; V264-D266 VanDerWaalsContact O-N 3.13Å; D266-P268 WeakPolarHBondContact O-CD 3.22Å; D266-P268 VanDerWaalsContact O-N 3.11Å
267	N	80.4	Confident	81.3	Confident	71 Å²	71	58.8 Å²	58.8	38%	0.38	34%	0.341	S	S	.	.			trans	-65.1	110.5	-177.2	-177	10.7	0	0	0	110.5	F265 C269 G272 P274	F265-N267 HydrophobicContact CE1-CB 4.43Å; F265-N267 PolarHBondContact O-N 2.82Å; N267-C269 PolarHBondContact O-N 3.22Å; N267-C269 WeakPolarHBondContact OD1-CB 3.38Å; N267-C269 PolarHBondContact OD1-N 3.47Å; N267-C269 PolarHBondContact OD1-SG 3.24Å; N267-C269 VanDerWaalsContact OD1-SG 3.33Å; N267-G272 PolarHBondContact ND2-O 3.12Å; N267-P274 WeakPolarHBondContact OD1-CD 3.32Å
268	P	84.8	Confident	80.6	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	37%	0.371	C	S	.	.			trans	-78.4	-9.1	179.7	36	-36.5	0	0	0	111.7	F265 D266 H300 V309 T351 A352	F265-P268 HydrophobicContact CZ-CG 4.16Å; D266-P268 WeakPolarHBondContact O-CD 3.22Å; D266-P268 VanDerWaalsContact O-N 3.11Å; P268-H300 PolarHBondContact O-NE2 3.42Å; P268-V309 HydrophobicContact CG-CG1 4.49Å; P268-V309 HydrophobicContact CG-CG2 3.32Å; P268-T351 HydrophobicContact CB-CG2 4.09Å; P268-A352 WeakPolarHBondContact O-CA 3.37Å; P268-A352 PolarHBondContact O-N 3.1Å
269	C	89.1	Confident	79.5	Confident	9 Å²	9	69.9 Å²	69.9	6%	0.061	40%	0.399	C	S	.	.			trans	-72.9	138.3	178.7	-53.2	0	0	0	0	111.7	N267 T271 C311	N267-C269 PolarHBondContact O-N 3.22Å; N267-C269 WeakPolarHBondContact OD1-CB 3.38Å; N267-C269 PolarHBondContact OD1-N 3.47Å; N267-C269 PolarHBondContact OD1-SG 3.24Å; N267-C269 VanDerWaalsContact OD1-SG 3.33Å; C269-T271 VanDerWaalsContact C-N 3.31Å; C269-T271 PolarHBondContact O-N 3.26Å; C269-C311 WeakPolarHBondContact CA-SG 3.27Å; C269-C311 HydrophobicContact CB-CB 3.66Å; C269-C311 WeakPolarHBondContact CB-SG 3.44Å; C269-C311 WeakPolarHBondContact SG-CA 3.19Å; C269-C311 WeakPolarHBondContact SG-CB 3.45Å; C269-C311 CovalentContact SG-SG 2.03Å; C269-C311 PolarHBondContact SG-SG 3.04Å
270	S	84.9	Confident	78.2	Confident	55 Å²	55	66.3 Å²	66.3	39%	0.385	39%	0.392	S	S	.	.	S	Bend	trans	-67	-32.9	175.6	50.4	0	0	0	0	112.8	A352 G353	S270-A352 WeakPolarHBondContact CB-O 3.3Å; S270-G353 VanDerWaalsContact CB-O 3.26Å; S270-G353 WeakPolarHBondContact CB-O 2.97Å; S270-G353 PolarHBondContact OG-O 3.17Å
271	T	82.5	Confident	77.7	Confident	90 Å²	90	70.2 Å²	70.2	55%	0.552	39%	0.387	S	S	*	.	S	Bend	trans	-140.1	145.1	176.8	62.8	0	0	0	0	111.1	C269 P312	C269-T271 VanDerWaalsContact C-N 3.31Å; C269-T271 PolarHBondContact O-N 3.26Å; T271-P312 VanDerWaalsContact O-CD 3.31Å; T271-P312 WeakPolarHBondContact O-CD 3.22Å; T271-P312 WeakPolarHBondContact O-CG 3.22Å
272	G	80.8	Confident	77.5	Confident	43 Å²	43	64.4 Å²	64.4	44%	0.443	37%	0.367	S	S	.	.	S	Bend	trans	62.2	173.2	177.4	0	0	0	0	0	115.4	N267	N267-G272 PolarHBondContact ND2-O 3.12Å
273	P	82.4	Confident	77.3	Confident	87 Å²	87	65.1 Å²	65.1	57%	0.565	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-78.5	152.7	176.2	32.2	-33.6	0	0	0	111.4	P312	P273-P312 WeakPolarHBondContact O-CD 3.04Å; P273-P312 WeakPolarHBondContact O-CG 3.08Å
274	P	87.4	Confident	77.8	Confident	11 Å²	11	64.6 Å²	64.6	7%	0.071	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.9	160.1	171.1	-13.2	24.2	0	0	0	111.8	F265 N267 I276 I282 V309 C310	F265-P274 HydrophobicContact CD1-CG 4.45Å; F265-P274 HydrophobicContact CE1-CG 3.43Å; F265-P274 VanDerWaalsContact CE1-CG 3.43Å; F265-P274 HydrophobicContact CZ-CG 3.91Å; N267-P274 WeakPolarHBondContact OD1-CD 3.32Å; P274-I276 PolarHBondContact O-N 3.15Å; P274-I282 HydrophobicContact CB-CG2 3.83Å; P274-I282 HydrophobicContact CG-CG2 4.32Å; P274-V309 HydrophobicContact CB-CB 4.23Å; P274-V309 HydrophobicContact CB-CG2 3.96Å; P274-V309 HydrophobicContact CG-CG2 4.13Å; P274-C310 CarbonylContact C-O 3.59Å; P274-C310 VanDerWaalsContact CA-O 3.22Å; P274-C310 WeakPolarHBondContact CA-O 3.37Å
275	H	86.3	Confident	78.5	Confident	43 Å²	43	63.2 Å²	63.2	20%	0.199	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.2	132.1	173.1	-176.6	-103.2	0	0	0	110.5	I282 T283 P294 Y297 C310	H275-I282 WeakPolarHBondContact O-CA 3.23Å; H275-T283 PolarHBondContact ND1-OG1 3.48Å; H275-T283 PolarHBondContact O-N 3.14Å; H275-P294 WeakPolarHBondContact NE2-CG 3.49Å; H275-Y297 HydrophobicContact CB-CD1 3.61Å; H275-Y297 HydrophobicContact CB-CD2 4.34Å; H275-Y297 HydrophobicContact CB-CE1 3.64Å; H275-Y297 HydrophobicContact CB-CE2 4.38Å; H275-Y297 HydrophobicContact CB-CG 3.99Å; H275-Y297 AromaticContact CD2-CE2 3.82Å; H275-Y297 VanDerWaalsContact N-CE1 3.31Å; H275-C310 HydrophobicContact CB-CB 3.7Å; H275-C310 PolarHBondContact N-O 2.82Å
276	I	77.9	Confident	78.7	Confident	74 Å²	74	62.1 Å²	62.1	38%	0.379	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-107.4	118	173.5	-56.5	-179.1	0	0	0	106.9	T234 P274 G280 R281	T234-I276 HydrophobicContact CG2-CD1 4.24Å; P274-I276 PolarHBondContact O-N 3.15Å; I276-G280 WeakPolarHBondContact CG2-O 3.38Å; I276-R281 CarbonylContact C-O 3.58Å; I276-R281 WeakPolarHBondContact CA-O 3.08Å
277	G	73.9	Confident	78.3	Confident	16 Å²	16	59.9 Å²	59.9	17%	0.165	35%	0.345	C	S	.	.			trans	-61.3	167.6	176.1	0	0	0	0	0	112.4	D279 G280 R281	G277-D279 PolarHBondContact O-N 3.17Å; G277-D279 VanDerWaalsContact O-N 3.08Å; G277-G280 PolarHBondContact O-N 3.23Å; G277-R281 PolarHBondContact N-O 2.92Å
278	L	67.4	Low	77.3	Confident	198 Å²	198	61.2 Å²	61.2	100%	1.037	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.1	176.7	-64.8	173.2	0	0	0	113.1	G280	L278-G280 VanDerWaalsContact C-N 3.26Å
279	D	62.9	Low	76.2	Confident	109 Å²	109	64.4 Å²	64.4	58%	0.583	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.3	174.1	69.2	-18.6	0	0	0	113.7	G277 R281	G277-D279 PolarHBondContact O-N 3.17Å; G277-D279 VanDerWaalsContact O-N 3.08Å; D279-R281 VanDerWaalsContact C-N 3.32Å; D279-R281 PolarHBondContact OD1-N 3.32Å; D279-R281 WeakPolarHBondContact OD2-CD 3.41Å
280	G	55.4	Low	74.8	Confident	30 Å²	30	67.5 Å²	67.5	31%	0.309	41%	0.405	S	S	.	.	S	Bend	trans	79.2	8.8	-178.3	0	0	0	0	0	114.4	I276 G277 L278	I276-G280 WeakPolarHBondContact CG2-O 3.38Å; G277-G280 PolarHBondContact O-N 3.23Å; L278-G280 VanDerWaalsContact C-N 3.26Å
281	R	72	Confident	73.9	Confident	176 Å²	176	72.4 Å²	72.4	66%	0.664	43%	0.427	S	S	*	.	S	Bend	trans	-102.8	154.2	179.2	-61.3	-177.2	177.3	-177.5	0.1	111.8	I276 G277 D279 T283	I276-R281 CarbonylContact C-O 3.58Å; I276-R281 WeakPolarHBondContact CA-O 3.08Å; G277-R281 PolarHBondContact N-O 2.92Å; D279-R281 VanDerWaalsContact C-N 3.32Å; D279-R281 PolarHBondContact OD1-N 3.32Å; D279-R281 WeakPolarHBondContact OD2-CD 3.41Å; R281-T283 PolarHBondContact O-N 2.95Å
282	I	77	Confident	73.9	Confident	32 Å²	32	72.3 Å²	72.3	16%	0.164	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-64.9	127.7	174	-63.7	168.8	0	0	0	109	F265 P274 H275 L284 V309	F265-I282 HydrophobicContact CB-CD1 4.2Å; F265-I282 HydrophobicContact CD1-CD1 3.47Å; F265-I282 VanDerWaalsContact CD1-CD1 3.47Å; F265-I282 HydrophobicContact CD2-CD1 3.55Å; F265-I282 HydrophobicContact CE1-CD1 3.62Å; F265-I282 HydrophobicContact CE2-CD1 3.68Å; F265-I282 HydrophobicContact CG-CD1 3.43Å; F265-I282 VanDerWaalsContact CG-CD1 3.43Å; F265-I282 HydrophobicContact CZ-CD1 3.72Å; F265-I282 HydrophobicContact CZ-CG2 4.3Å; P274-I282 HydrophobicContact CB-CG2 3.83Å; P274-I282 HydrophobicContact CG-CG2 4.32Å; H275-I282 WeakPolarHBondContact O-CA 3.23Å; I282-L284 PolarHBondContact O-N 3.25Å; I282-L284 VanDerWaalsContact O-N 3.16Å; I282-V309 HydrophobicContact CG2-CB 3.99Å; I282-V309 HydrophobicContact CG2-CG1 3.63Å
283	T	83	Confident	74.2	Confident	22 Å²	22	71.1 Å²	71.1	14%	0.135	41%	0.407	C	S	.	.			trans	-73.9	106.6	176.6	-55.4	0	0	0	0	109.6	H275 R281 I292 V309 C310	H275-T283 PolarHBondContact ND1-OG1 3.48Å; H275-T283 PolarHBondContact O-N 3.14Å; R281-T283 PolarHBondContact O-N 2.95Å; T283-I292 HydrophobicContact CG2-CG1 4.2Å; T283-I292 HydrophobicContact CG2-CG2 4.28Å; T283-V309 WeakPolarHBondContact O-CA 3.2Å; T283-C310 PolarHBondContact O-N 2.69Å
284	L	87.1	Confident	74.4	Confident	81 Å²	81	69.2 Å²	69.2	42%	0.424	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-74.4	139.9	171.8	-58.6	172.1	0	0	0	109.1	I282 S308 V309	I282-L284 PolarHBondContact O-N 3.25Å; I282-L284 VanDerWaalsContact O-N 3.16Å; L284-S308 WeakPolarHBondContact CA-O 3.41Å; L284-V309 HydrophobicContact CD2-CG1 4.03Å
285	C	86.8	Confident	73.9	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.014	43%	0.433	C	S	.	.			trans	-130	167	175.7	75.1	0	0	0	0	109.5	I292 C299 S308 V309	C285-I292 HydrophobicContact CB-CG2 3.63Å; C285-C299 HydrophobicContact CB-CB 3.74Å; C285-C299 WeakPolarHBondContact CB-SG 3.16Å; C285-C299 WeakPolarHBondContact SG-CA 3.29Å; C285-C299 WeakPolarHBondContact SG-CB 3.07Å; C285-C299 CovalentContact SG-SG 2.03Å; C285-C299 PolarHBondContact SG-SG 2.93Å; C285-S308 PolarHBondContact N-O 2.72Å; C285-S308 WeakPolarHBondContact O-CB 3.4Å; C285-V309 PolarHBondContact SG-O 3.43Å; C285-V309 VanDerWaalsContact SG-O 3.41Å
286	G	76.2	Confident	73.7	Confident	12 Å²	12	79 Å²	79	12%	0.124	45%	0.452	C	S	.	.			trans	-169.7	178.9	176.6	0	0	0	0	0	111.6	A288 T289	G286-A288 PolarHBondContact O-N 3.07Å; G286-T289 PolarHBondContact N-OG1 3.31Å; G286-T289 CarbonylContact O-C 3.51Å; G286-T289 PolarHBondContact O-N 2.98Å
287	V	65.5	Low	74.3	Confident	95 Å²	95	78.2 Å²	78.2	58%	0.576	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-35	-178.6	-174.5	0	0	0	0	111.8	T289 P290 M359	V287-T289 VanDerWaalsContact C-N 3.34Å; V287-P290 WeakPolarHBondContact O-CD 3.37Å; V287-M359 HydrophobicContact CB-CE 4.15Å; V287-M359 HydrophobicContact CG1-CE 3.65Å; V287-M359 HydrophobicContact CG2-CE 3.34Å; V287-M359 HydrophobicContact CG2-SD 3.71Å
288	A	60.8	Low	75	Confident	99 Å²	99	78.8 Å²	78.8	82%	0.818	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.7	177.3	0	0	0	0	0	113.8	G286	G286-A288 PolarHBondContact O-N 3.07Å
289	T	60.5	Low	76	Confident	69 Å²	69	70.8 Å²	70.8	42%	0.423	40%	0.401	S	S	.	.			trans	-137.1	54.8	-176.5	53.1	0	0	0	0	112.5	G286 V287 N291 I292	G286-T289 PolarHBondContact N-OG1 3.31Å; G286-T289 CarbonylContact O-C 3.51Å; G286-T289 PolarHBondContact O-N 2.98Å; V287-T289 VanDerWaalsContact C-N 3.34Å; T289-N291 VanDerWaalsContact C-N 3.3Å; T289-N291 PolarHBondContact O-N 3.14Å; T289-I292 VanDerWaalsContact O-CG2 3.28Å; T289-I292 WeakPolarHBondContact O-CG2 3.28Å; T289-I292 PolarHBondContact O-N 2.93Å
290	P	59.5	Low	77.4	Confident	74 Å²	74	65.6 Å²	65.6	48%	0.481	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.9	-30.5	-172.4	24.9	-31.8	0	0	0	113	V287 I292	V287-P290 WeakPolarHBondContact O-CD 3.37Å; P290-I292 VanDerWaalsContact C-N 3.29Å; P290-I292 PolarHBondContact O-N 2.93Å
291	N	67.7	Low	78.9	Confident	157 Å²	157	66 Å²	66	84%	0.84	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-87.2	11.5	-175.6	-63.7	-26.1	0	0	0	114.3	T289 C293	T289-N291 VanDerWaalsContact C-N 3.3Å; T289-N291 PolarHBondContact O-N 3.14Å; N291-C293 VanDerWaalsContact C-N 3.3Å
292	I	82.6	Confident	79.6	Confident	89 Å²	89	58 Å²	58	46%	0.456	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-76.2	-20.2	178.7	-158	161	0	0	0	112.7	T283 C285 T289 P290	T283-I292 HydrophobicContact CG2-CG1 4.2Å; T283-I292 HydrophobicContact CG2-CG2 4.28Å; C285-I292 HydrophobicContact CB-CG2 3.63Å; T289-I292 VanDerWaalsContact O-CG2 3.28Å; T289-I292 WeakPolarHBondContact O-CG2 3.28Å; T289-I292 PolarHBondContact O-N 2.93Å; P290-I292 VanDerWaalsContact C-N 3.29Å; P290-I292 PolarHBondContact O-N 2.93Å
293	C	86.3	Confident	79.9	Confident	18 Å²	18	60.2 Å²	60.2	12%	0.122	36%	0.357	C	S	.	.	S	Bend	trans	-79	133.9	179.1	-58.7	0	0	0	0	111.1	N291 C310	N291-C293 VanDerWaalsContact C-N 3.3Å; C293-C310 WeakPolarHBondContact CA-SG 3.47Å; C293-C310 HydrophobicContact CB-CB 3.78Å; C293-C310 WeakPolarHBondContact CB-SG 3.43Å; C293-C310 WeakPolarHBondContact SG-CA 3.37Å; C293-C310 WeakPolarHBondContact SG-CB 3.35Å; C293-C310 CovalentContact SG-SG 2.04Å; C293-C310 PolarHBondContact SG-SG 2.66Å
294	P	86	Confident	79.9	Confident	46 Å²	46	62.3 Å²	62.3	30%	0.299	37%	0.37	S	S	.	.			trans	-61.6	159.2	174.7	-18	27.2	0	0	0	112.4	H275 T296 Y297	H275-P294 WeakPolarHBondContact NE2-CG 3.49Å; P294-T296 PolarHBondContact O-N 3.3Å; P294-Y297 HydrophobicContact CB-CD2 4.48Å; P294-Y297 HydrophobicContact CG-CD2 4.44Å; P294-Y297 WeakPolarHBondContact O-CA 3.32Å; P294-Y297 PolarHBondContact O-N 3.19Å
295	N	77.9	Confident	79.4	Confident	165 Å²	165	64.2 Å²	64.2	88%	0.882	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-19.5	-174.4	-65.7	-8.5	0	0	0	116.6	A314	N295-A314 WeakPolarHBondContact O-CB 3.07Å
296	T	82.5	Confident	79	Confident	96 Å²	96	71.2 Å²	71.2	59%	0.589	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	1.3	177.4	61.7	0	0	0	0	113.8	P294 G313 A314	P294-T296 PolarHBondContact O-N 3.3Å; T296-G313 PolarHBondContact O-N 2.77Å; T296-G313 VanDerWaalsContact O-N 3.15Å; T296-A314 PolarHBondContact O-N 2.87Å
297	Y	89.5	Confident	79.4	Confident	57 Å²	57	71.4 Å²	71.4	22%	0.224	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145	-178.4	-73.8	-100.2	0	0	0	110.1	H275 P294 C310 C311 P312	H275-Y297 HydrophobicContact CB-CD1 3.61Å; H275-Y297 HydrophobicContact CB-CD2 4.34Å; H275-Y297 HydrophobicContact CB-CE1 3.64Å; H275-Y297 HydrophobicContact CB-CE2 4.38Å; H275-Y297 HydrophobicContact CB-CG 3.99Å; H275-Y297 AromaticContact CD2-CE2 3.82Å; H275-Y297 VanDerWaalsContact N-CE1 3.31Å; P294-Y297 HydrophobicContact CB-CD2 4.48Å; P294-Y297 HydrophobicContact CG-CD2 4.44Å; P294-Y297 WeakPolarHBondContact O-CA 3.32Å; P294-Y297 PolarHBondContact O-N 3.19Å; Y297-C310 HydrophobicContact CD1-CB 4.36Å; Y297-C310 WeakPolarHBondContact CD1-O 3.13Å; Y297-C311 CarbonylContact C-O 3.54Å; Y297-C311 WeakPolarHBondContact CA-O 3.38Å; Y297-C311 WeakPolarHBondContact CB-O 3.49Å; Y297-C311 WeakPolarHBondContact CD1-O 3.26Å; Y297-P312 HydrophobicContact CD1-CB 4.4Å; Y297-P312 HydrophobicContact CD1-CG 4.39Å; Y297-P312 HydrophobicContact CE1-CB 4.06Å; Y297-P312 HydrophobicContact CE1-CG 3.82Å
298	W	88.3	Confident	80.6	Confident	28 Å²	28	67.2 Å²	67.2	11%	0.106	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	156.7	175.1	66.6	-85.3	0	0	0	110.1	H300 C310 C311 P312 N354 E355	W298-H300 HydrophobicContact CE3-CB 4.4Å; W298-H300 HydrophobicContact CH2-CB 3.82Å; W298-H300 AromaticContact CH2-CD2 3.81Å; W298-H300 HydrophobicContact CZ2-CB 4.22Å; W298-H300 VanDerWaalsContact CZ3-CA 3.46Å; W298-H300 HydrophobicContact CZ3-CB 3.93Å; W298-H300 PolarHBondContact O-N 3.34Å; W298-C310 CarbonylContact O-C 3.46Å; W298-C310 WeakPolarHBondContact O-CA 3.47Å; W298-C311 HydrophobicContact CD2-CB 4.46Å; W298-C311 HydrophobicContact CZ2-CB 4.17Å; W298-C311 PolarHBondContact N-O 2.9Å; W298-C311 PolarHBondContact O-N 3.37Å; W298-P312 PolarHBondContact NE1-O 3.18Å; W298-N354 VanDerWaalsContact CH2-C 3.5Å; W298-N354 WeakPolarHBondContact CH2-O 3.25Å; W298-E355 VanDerWaalsContact CB-CD 3.43Å; W298-E355 HydrophobicContact CB-CG 3.61Å; W298-E355 WeakPolarHBondContact CB-OE2 3.22Å; W298-E355 HydrophobicContact CD2-CB 4.42Å; W298-E355 HydrophobicContact CD2-CG 3.25Å; W298-E355 HydrophobicContact CE3-CB 4.42Å; W298-E355 HydrophobicContact CE3-CG 3.62Å; W298-E355 VanDerWaalsContact CG-CD 3.48Å; W298-E355 HydrophobicContact CG-CG 3.22Å; W298-E355 HydrophobicContact CZ2-CG 4.43Å; W298-E355 HydrophobicContact CZ3-CG 4.33Å
299	C	89.6	Confident	81.9	Confident	29 Å²	29	62.5 Å²	62.5	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	105.1	178.2	179.2	0	0	0	0	111	C285 V301	C285-C299 HydrophobicContact CB-CB 3.74Å; C285-C299 WeakPolarHBondContact CB-SG 3.16Å; C285-C299 WeakPolarHBondContact SG-CA 3.29Å; C285-C299 WeakPolarHBondContact SG-CB 3.07Å; C285-C299 CovalentContact SG-SG 2.03Å; C285-C299 PolarHBondContact SG-SG 2.93Å; C299-V301 PolarHBondContact O-N 2.88Å
300	H	90.5	Very high	83.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.9	167.7	171	-77.8	0	0	0	108.9	P268 W298 S307 S308 V309 C311 Y348 G350	P268-H300 PolarHBondContact O-NE2 3.42Å; W298-H300 HydrophobicContact CE3-CB 4.4Å; W298-H300 HydrophobicContact CH2-CB 3.82Å; W298-H300 AromaticContact CH2-CD2 3.81Å; W298-H300 HydrophobicContact CZ2-CB 4.22Å; W298-H300 VanDerWaalsContact CZ3-CA 3.46Å; W298-H300 HydrophobicContact CZ3-CB 3.93Å; W298-H300 PolarHBondContact O-N 3.34Å; H300-S307 PolarHBondContact CE1-O 3.41Å; H300-S307 PolarHBondContact ND1-O 2.87Å; H300-S308 CarbonylContact O-C 3.49Å; H300-S308 WeakPolarHBondContact O-CA 3.03Å; H300-V309 WeakPolarHBondContact CB-O 3.39Å; H300-V309 PolarHBondContact N-O 3.22Å; H300-V309 PolarHBondContact O-N 2.82Å; H300-C311 HydrophobicContact CB-CB 4.18Å; H300-C311 WeakPolarHBondContact CB-SG 3.18Å; H300-Y348 PolarHBondContact CD2-OH 2.89Å; H300-Y348 AromaticContact NE2-CZ 3.83Å; H300-Y348 PolarHBondContact NE2-OH 3.24Å; H300-G350 PolarHBondContact CE1-O 3.44Å
301	V	88.1	Confident	84.9	Confident	37 Å²	37	55.8 Å²	55.8	22%	0.224	31%	0.306	C	S	.	.			trans	-101.4	110	175.4	-176.8	0	0	0	0	109.6	C299 R333	C299-V301 PolarHBondContact O-N 2.88Å; V301-R333 PolarHBondContact O-NH1 3.5Å; V301-R333 VanDerWaalsContact O-NH1 3.11Å; V301-R333 PolarHBondContact O-NH2 2.76Å
302	G	85.4	Confident	85.8	Confident	8 Å²	8	49.5 Å²	49.5	8%	0.082	27%	0.274	C	S	.	.			trans	-93.7	-155	-179	0	0	0	0	0	113.8	S307 S308 G350	G302-S307 VanDerWaalsContact CA-OG 3.3Å; G302-S307 WeakPolarHBondContact CA-OG 3.09Å; G302-S308 PolarHBondContact N-OG 3Å; G302-S308 VanDerWaalsContact N-OG 3.1Å; G302-G350 WeakPolarHBondContact CA-O 3.45Å
303	T	84	Confident	85.6	Confident	79 Å²	79	47.1 Å²	47.1	49%	0.485	27%	0.271	S	S	.	.	S	Bend	trans	-81.6	-29.5	177.4	49	0	0	0	0	113.3	S307 A329 L331	T303-S307 PolarHBondContact N-OG 3.17Å; T303-A329 HydrophobicContact CG2-CB 3.33Å; T303-L331 HydrophobicContact CG2-CD1 3.74Å; T303-L331 HydrophobicContact CG2-CD2 4.27Å; T303-L331 HydrophobicContact CG2-CG 4.18Å
304	T	83.3	Confident	84.7	Confident	67 Å²	67	48.6 Å²	48.6	41%	0.411	28%	0.284	S	S	.	.	S	Bend	trans	-127.8	160.2	-179.5	69.8	0	0	0	0	110.4	E306 S307 S308	T304-E306 PolarHBondContact O-N 2.85Å; T304-E306 PolarHBondContact OG1-N 2.9Å; T304-S307 PolarHBondContact N-OG 2.05Å; T304-S307 PolarHBondContact O-N 3.3Å; T304-S307 PolarHBondContact O-OG 3.24Å; T304-S307 PolarHBondContact OG1-N 3.17Å; T304-S307 PolarHBondContact OG1-OG 3.01Å; T304-S308 PolarHBondContact O-N 3.33Å; T304-S308 PolarHBondContact O-OG 2.03Å
305	L	76.3	Confident	84.1	Confident	121 Å²	121	48.9 Å²	48.9	63%	0.634	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-55.9	-32.8	174.8	-173.8	65.1	0	0	0	112.2	S307 S308	L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 2.82Å; L305-S308 PolarHBondContact O-N 2.86Å
306	E	79.5	Confident	84.5	Confident	149 Å²	149	44.4 Å²	44.4	70%	0.696	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-71.1	-27.7	178.7	-62.6	165.4	162.4	0	0	113	T304 S308	T304-E306 PolarHBondContact O-N 2.85Å; T304-E306 PolarHBondContact OG1-N 2.9Å; E306-S308 VanDerWaalsContact C-N 3.34Å
307	S	84.3	Confident	84.7	Confident	15 Å²	15	39.9 Å²	39.9	11%	0.105	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-88.4	-2.3	172.6	66.2	0	0	0	0	113.4	H300 G302 T303 T304 L305	H300-S307 PolarHBondContact CE1-O 3.41Å; H300-S307 PolarHBondContact ND1-O 2.87Å; G302-S307 VanDerWaalsContact CA-OG 3.3Å; G302-S307 WeakPolarHBondContact CA-OG 3.09Å; T303-S307 PolarHBondContact N-OG 3.17Å; T304-S307 PolarHBondContact N-OG 2.05Å; T304-S307 PolarHBondContact O-N 3.3Å; T304-S307 PolarHBondContact O-OG 3.24Å; T304-S307 PolarHBondContact OG1-N 3.17Å; T304-S307 PolarHBondContact OG1-OG 3.01Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 2.82Å
308	S	90.2	Very high	84.8	Confident	8 Å²	8	37.5 Å²	37.5	6%	0.056	23%	0.227	C	C	.	.			trans	-97.8	96.2	178.2	-62.1	0	0	0	0	110.5	L284 C285 H300 G302 T304 L305 E306	L284-S308 WeakPolarHBondContact CA-O 3.41Å; C285-S308 PolarHBondContact N-O 2.72Å; C285-S308 WeakPolarHBondContact O-CB 3.4Å; H300-S308 CarbonylContact O-C 3.49Å; H300-S308 WeakPolarHBondContact O-CA 3.03Å; G302-S308 PolarHBondContact N-OG 3Å; G302-S308 VanDerWaalsContact N-OG 3.1Å; T304-S308 PolarHBondContact O-N 3.33Å; T304-S308 PolarHBondContact O-OG 2.03Å; L305-S308 PolarHBondContact O-N 2.86Å; E306-S308 VanDerWaalsContact C-N 3.34Å
309	V	88.9	Confident	84.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.7	-168.2	-57.5	0	0	0	0	111.9	F265 P268 P274 I282 T283 L284 C285 H300 C311	F265-V309 HydrophobicContact CE2-CG1 4.23Å; F265-V309 HydrophobicContact CZ-CG1 3.91Å; F265-V309 HydrophobicContact CZ-CG2 4.46Å; P268-V309 HydrophobicContact CG-CG1 4.49Å; P268-V309 HydrophobicContact CG-CG2 3.32Å; P274-V309 HydrophobicContact CB-CB 4.23Å; P274-V309 HydrophobicContact CB-CG2 3.96Å; P274-V309 HydrophobicContact CG-CG2 4.13Å; I282-V309 HydrophobicContact CG2-CB 3.99Å; I282-V309 HydrophobicContact CG2-CG1 3.63Å; T283-V309 WeakPolarHBondContact O-CA 3.2Å; L284-V309 HydrophobicContact CD2-CG1 4.03Å; C285-V309 PolarHBondContact SG-O 3.43Å; C285-V309 VanDerWaalsContact SG-O 3.41Å; H300-V309 WeakPolarHBondContact CB-O 3.39Å; H300-V309 PolarHBondContact N-O 3.22Å; H300-V309 PolarHBondContact O-N 2.82Å; V309-C311 PolarHBondContact O-N 3.09Å
310	C	91	Very high	84.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.9	173.4	-63.4	0	0	0	0	111.1	P274 H275 T283 C293 Y297 W298	P274-C310 CarbonylContact C-O 3.59Å; P274-C310 VanDerWaalsContact CA-O 3.22Å; P274-C310 WeakPolarHBondContact CA-O 3.37Å; H275-C310 HydrophobicContact CB-CB 3.7Å; H275-C310 PolarHBondContact N-O 2.82Å; T283-C310 PolarHBondContact O-N 2.69Å; C293-C310 WeakPolarHBondContact CA-SG 3.47Å; C293-C310 HydrophobicContact CB-CB 3.78Å; C293-C310 WeakPolarHBondContact CB-SG 3.43Å; C293-C310 WeakPolarHBondContact SG-CA 3.37Å; C293-C310 WeakPolarHBondContact SG-CB 3.35Å; C293-C310 CovalentContact SG-SG 2.04Å; C293-C310 PolarHBondContact SG-SG 2.66Å; Y297-C310 HydrophobicContact CD1-CB 4.36Å; Y297-C310 WeakPolarHBondContact CD1-O 3.13Å; W298-C310 CarbonylContact O-C 3.46Å; W298-C310 WeakPolarHBondContact O-CA 3.47Å
311	C	90.6	Very high	84.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.6	-179.3	-71.3	0	0	0	0	112.4	C269 Y297 W298 H300 V309	C269-C311 WeakPolarHBondContact CA-SG 3.27Å; C269-C311 HydrophobicContact CB-CB 3.66Å; C269-C311 WeakPolarHBondContact CB-SG 3.44Å; C269-C311 WeakPolarHBondContact SG-CA 3.19Å; C269-C311 WeakPolarHBondContact SG-CB 3.45Å; C269-C311 CovalentContact SG-SG 2.03Å; C269-C311 PolarHBondContact SG-SG 3.04Å; Y297-C311 CarbonylContact C-O 3.54Å; Y297-C311 WeakPolarHBondContact CA-O 3.38Å; Y297-C311 WeakPolarHBondContact CB-O 3.49Å; Y297-C311 WeakPolarHBondContact CD1-O 3.26Å; W298-C311 HydrophobicContact CD2-CB 4.46Å; W298-C311 HydrophobicContact CZ2-CB 4.17Å; W298-C311 PolarHBondContact N-O 2.9Å; W298-C311 PolarHBondContact O-N 3.37Å; H300-C311 HydrophobicContact CB-CB 4.18Å; H300-C311 WeakPolarHBondContact CB-SG 3.18Å; V309-C311 PolarHBondContact O-N 3.09Å
312	P	87.6	Confident	85	Confident	26 Å²	26	51.9 Å²	51.9	17%	0.169	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	150.6	178.4	-6.1	16.9	0	0	0	111.6	T271 P273 Y297 W298	T271-P312 VanDerWaalsContact O-CD 3.31Å; T271-P312 WeakPolarHBondContact O-CD 3.22Å; T271-P312 WeakPolarHBondContact O-CG 3.22Å; P273-P312 WeakPolarHBondContact O-CD 3.04Å; P273-P312 WeakPolarHBondContact O-CG 3.08Å; Y297-P312 HydrophobicContact CD1-CB 4.4Å; Y297-P312 HydrophobicContact CD1-CG 4.39Å; Y297-P312 HydrophobicContact CE1-CB 4.06Å; Y297-P312 HydrophobicContact CE1-CG 3.82Å; W298-P312 PolarHBondContact NE1-O 3.18Å
313	G	77.8	Confident	85.4	Confident	38 Å²	38	53 Å²	53	39%	0.392	31%	0.305	S	S	.	.			trans	116	31.9	164	0	0	0	0	0	116	T296 S315	T296-G313 PolarHBondContact O-N 2.77Å; T296-G313 VanDerWaalsContact O-N 3.15Å; G313-S315 VanDerWaalsContact C-N 3.31Å; G313-S315 WeakPolarHBondContact O-CB 3.37Å; G313-S315 PolarHBondContact O-N 2.99Å; G313-S315 PolarHBondContact O-OG 2.82Å
314	A	66.6	Low	85.7	Confident	49 Å²	49	52.5 Å²	52.5	41%	0.405	30%	0.302	S	S	.	.			trans	-50.1	89	177.3	0	0	0	0	0	112.4	N295 T296 E355	N295-A314 WeakPolarHBondContact O-CB 3.07Å; T296-A314 PolarHBondContact O-N 2.87Å; A314-E355 WeakPolarHBondContact CA-OE1 3.37Å; A314-E355 PolarHBondContact N-OE1 3.12Å
315	S	75	Confident	86	Confident	53 Å²	53	50.4 Å²	50.4	37%	0.371	29%	0.294	S	S	.	.			trans	-122.4	167.1	-178.7	50.1	0	0	0	0	108.6	G313 P317 E355	G313-S315 VanDerWaalsContact C-N 3.31Å; G313-S315 WeakPolarHBondContact O-CB 3.37Å; G313-S315 PolarHBondContact O-N 2.99Å; G313-S315 PolarHBondContact O-OG 2.82Å; S315-P317 WeakPolarHBondContact O-CD 3.49Å; S315-E355 PolarHBondContact N-OE1 3.31Å
316	N	84.7	Confident	86.4	Confident	70 Å²	70	52 Å²	52	37%	0.374	30%	0.295	S	S	.	.			trans	-63.4	113	178.3	-175.3	-0.3	0	0	0	109.5	C318 E319	N316-C318 PolarHBondContact O-N 2.87Å; N316-C318 VanDerWaalsContact O-N 3.1Å; N316-C318 PolarHBondContact OD1-N 3.32Å; N316-C318 PolarHBondContact OD1-SG 3.37Å; N316-C318 VanDerWaalsContact OD1-SG 3.41Å; N316-E319 HydrophobicContact CB-CB 4.46Å; N316-E319 HydrophobicContact CB-CG 4.18Å; N316-E319 PolarHBondContact ND2-OE1 2.82Å; N316-E319 PolarHBondContact O-N 2.66Å; N316-E319 VanDerWaalsContact O-N 3.14Å
317	P	88	Confident	86.6	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58	-31.8	-175.7	-25	35.8	0	0	0	112.6	S315 E319 L320 E355 N356 F358 R367	S315-P317 WeakPolarHBondContact O-CD 3.49Å; P317-E319 PolarHBondContact O-N 2.76Å; P317-L320 PolarHBondContact O-N 3.47Å; P317-E355 HydrophobicContact CB-CB 3.82Å; P317-E355 HydrophobicContact CG-CB 3.83Å; P317-N356 VanDerWaalsContact O-CB 3.22Å; P317-N356 WeakPolarHBondContact O-CB 3.28Å; P317-F358 HydrophobicContact CB-CZ 3.84Å; P317-R367 HydrophobicContact CG-CG 4.25Å
318	C	91.1	Very high	86.6	Confident	7 Å²	7	52 Å²	52	5%	0.047	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-74.2	-13.8	-173.4	-41.6	0	0	0	0	113.2	N316 Y336 R367 C368	N316-C318 PolarHBondContact O-N 2.87Å; N316-C318 VanDerWaalsContact O-N 3.1Å; N316-C318 PolarHBondContact OD1-N 3.32Å; N316-C318 PolarHBondContact OD1-SG 3.37Å; N316-C318 VanDerWaalsContact OD1-SG 3.41Å; C318-Y336 HydrophobicContact CB-CD1 3.69Å; C318-Y336 HydrophobicContact CB-CE1 4.01Å; C318-Y336 HydrophobicContact CB-CG 4.33Å; C318-Y336 WeakPolarHBondContact O-CD1 3.33Å; C318-R367 PolarHBondContact SG-O 2.78Å; C318-R367 VanDerWaalsContact SG-O 3.42Å; C318-C368 WeakPolarHBondContact CA-SG 3.34Å; C318-C368 HydrophobicContact CB-CB 3.76Å; C318-C368 WeakPolarHBondContact CB-SG 3.02Å; C318-C368 WeakPolarHBondContact SG-CA 3.36Å; C318-C368 WeakPolarHBondContact SG-CB 3.37Å; C318-C368 CovalentContact SG-SG 2.04Å; C318-C368 PolarHBondContact SG-SG 2.83Å
319	E	89.8	Confident	86.1	Confident	151 Å²	151	52.9 Å²	52.9	71%	0.706	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-95.5	-10.5	176.2	-68.4	169.6	-152.5	0	0	112.2	N316 P317	N316-E319 HydrophobicContact CB-CB 4.46Å; N316-E319 HydrophobicContact CB-CG 4.18Å; N316-E319 PolarHBondContact ND2-OE1 2.82Å; N316-E319 PolarHBondContact O-N 2.66Å; N316-E319 VanDerWaalsContact O-N 3.14Å; P317-E319 PolarHBondContact O-N 2.76Å
320	L	90	Very high	86.1	Confident	45 Å²	45	56.5 Å²	56.5	24%	0.236	36%	0.36	C	S	.	.	S	Bend	trans	-84.8	146.5	-176.9	-59.1	175.3	0	0	0	111	P317 N354 E355 N356	P317-L320 PolarHBondContact O-N 3.47Å; L320-N354 HydrophobicContact CD1-CB 4.1Å; L320-E355 HydrophobicContact CD1-CB 3.82Å; L320-N356 HydrophobicContact CB-CB 4.07Å; L320-N356 PolarHBondContact O-ND2 3.3Å
321	P	91	Very high	85.8	Confident	97 Å²	97	58.7 Å²	58.7	63%	0.63	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-68.5	158.2	175.6	29.6	-35.6	0	0	0	111.2	S323 N354	P321-S323 PolarHBondContact O-N 3Å; P321-N354 PolarHBondContact O-ND2 3.07Å; P321-N354 PolarHBondContact O-OD1 2.84Å
322	K	91	Very high	85.8	Confident	105 Å²	105	64.7 Å²	64.7	46%	0.457	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-54.5	127.2	165.9	-176	178	78.5	-175.2	0	110.5	Y335 F346	K322-Y335 HydrophobicContact CB-CD1 4.48Å; K322-Y335 HydrophobicContact CB-CD2 3.59Å; K322-Y335 HydrophobicContact CB-CE2 3.71Å; K322-Y335 HydrophobicContact CB-CG 3.99Å; K322-Y335 HydrophobicContact CD-CD1 3.7Å; K322-Y335 HydrophobicContact CD-CD2 4.24Å; K322-Y335 HydrophobicContact CD-CE1 3.47Å; K322-Y335 VanDerWaalsContact CD-CE1 3.47Å; K322-Y335 HydrophobicContact CD-CE2 4.02Å; K322-Y335 HydrophobicContact CD-CG 4.08Å; K322-Y335 HydrophobicContact CG-CD1 3.97Å; K322-Y335 HydrophobicContact CG-CD2 3.99Å; K322-Y335 HydrophobicContact CG-CE1 4.2Å; K322-Y335 HydrophobicContact CG-CE2 4.19Å; K322-Y335 HydrophobicContact CG-CG 3.87Å; K322-F346 HydrophobicContact CD-CB 3.87Å; K322-F346 HydrophobicContact CD-CD2 3.99Å; K322-F346 HydrophobicContact CD-CG 3.97Å; K322-F346 HydrophobicContact CG-CD2 3.91Å; K322-F346 HydrophobicContact CG-CE2 4.21Å; K322-F346 HydrophobicContact CG-CG 4.17Å
323	S	92.2	Very high	86.1	Confident	31 Å²	31	64.1 Å²	64.1	22%	0.217	40%	0.398	C	S	.	.			trans	-120.5	107.4	173.9	-175.4	0	0	0	0	111.6	P321 G325 F346	P321-S323 PolarHBondContact O-N 3Å; S323-G325 PolarHBondContact O-N 3.43Å; S323-F346 WeakPolarHBondContact O-CE2 2.96Å
324	T	90.8	Very high	86.8	Confident	69 Å²	69	65.4 Å²	65.4	42%	0.423	39%	0.391	S	S	.	.			trans	-61.5	-24.2	173.7	-59	0	0	0	0	112.4	Y348 S349	T324-Y348 VanDerWaalsContact O-CD2 3.22Å; T324-Y348 WeakPolarHBondContact O-CD2 3.31Å; T324-S349 WeakPolarHBondContact O-CB 3.01Å; T324-S349 PolarHBondContact O-N 3.06Å; T324-S349 PolarHBondContact O-OG 3.23Å
325	G	89.3	Confident	88.2	Confident	23 Å²	23	64.7 Å²	64.7	24%	0.237	38%	0.378	C	S	.	.			trans	76.3	-156.6	-179	0	0	0	0	0	113.5	S323 T351	S323-G325 PolarHBondContact O-N 3.43Å; G325-T351 CarbonylContact C-O 3.51Å; G325-T351 WeakPolarHBondContact CA-O 3.49Å
326	K	85.1	Confident	89.1	Confident	154 Å²	154	62.7 Å²	62.7	67%	0.67	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-132.3	155.7	177.2	-65.6	-178.3	-178.4	175.7	0	109.8	S349 T351 A352	K326-S349 VanDerWaalsContact C-CB 3.41Å; K326-S349 CarbonylContact O-C 3.57Å; K326-S349 WeakPolarHBondContact O-CB 3.45Å; K326-S349 VanDerWaalsContact O-O 3.12Å; K326-T351 PolarHBondContact N-O 3.3Å; K326-T351 PolarHBondContact O-N 3.18Å; K326-T351 VanDerWaalsContact O-N 3.14Å; K326-T351 PolarHBondContact O-OG1 3.07Å; K326-A352 HydrophobicContact CB-CB 4.23Å; K326-A352 HydrophobicContact CD-CB 4.47Å; K326-A352 HydrophobicContact CG-CB 4.27Å
327	G	84.4	Confident	89.3	Confident	57 Å²	57	61.2 Å²	61.2	59%	0.588	36%	0.355	S	S	*	.	S	Bend	trans	124	-176.3	179	0	0	0	0	0	112.3	S349	G327-S349 WeakPolarHBondContact CA-O 3.33Å
328	A	82.9	Confident	89.1	Confident	108 Å²	108	65 Å²	65	89%	0.893	38%	0.382	S	S	*	.	S	Bend	trans	-110.7	6.4	179.3	0	0	0	0	0	112.7
329	A	81.4	Confident	88.6	Confident	26 Å²	26	69 Å²	69	22%	0.215	41%	0.414	C	S	.	.			trans	-75.3	156.9	176.4	0	0	0	0	0	110.6	T303 L331 S349	T303-A329 HydrophobicContact CG2-CB 3.33Å; A329-L331 HydrophobicContact CB-CG 4.16Å; A329-S349 WeakPolarHBondContact CB-O 3.26Å; A329-S349 PolarHBondContact N-O 2.02Å; A329-S349 VanDerWaalsContact O-CA 3.31Å; A329-S349 WeakPolarHBondContact O-CA 3.22Å
330	S	87.7	Confident	88.1	Confident	75 Å²	75	65 Å²	65	52%	0.524	40%	0.401	S	S	.	.			trans	-129.3	77	176.1	178.2	0	0	0	0	107.1	E347	S330-E347 WeakPolarHBondContact CB-OE1 3.43Å; S330-E347 WeakPolarHBondContact OG-CG 3.26Å; S330-E347 PolarHBondContact OG-OE1 2.04Å
331	L	85.1	Confident	87.7	Confident	47 Å²	47	67.2 Å²	67.2	25%	0.246	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.9	-178.1	-58.4	-178.3	0	0	0	108.8	T303 A329 R333 Y348	T303-L331 HydrophobicContact CG2-CD1 3.74Å; T303-L331 HydrophobicContact CG2-CD2 4.27Å; T303-L331 HydrophobicContact CG2-CG 4.18Å; A329-L331 HydrophobicContact CB-CG 4.16Å; L331-R333 HydrophobicContact CB-CG 4.43Å; L331-R333 PolarHBondContact O-N 2.98Å; L331-Y348 HydrophobicContact CD1-CD1 4.3Å; L331-Y348 PolarHBondContact N-O 3.1Å; L331-Y348 WeakPolarHBondContact O-CB 3.43Å; L331-Y348 PolarHBondContact O-N 3.42Å
332	L	89.7	Confident	87.3	Confident	126 Å²	126	66 Å²	66	66%	0.66	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.2	171.8	-66.9	175.8	0	0	0	109.5	V345	L332-V345 HydrophobicContact CB-CG2 4.31Å; L332-V345 HydrophobicContact CD2-CG2 4.1Å
333	R	93.7	Very high	87.3	Confident	14 Å²	14	61.6 Å²	61.6	5%	0.053	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.3	-178.2	-63.7	-66.4	-178.7	84.1	-2.4	109.2	V301 L331 V345 F346 Y348 N357 F358	V301-R333 PolarHBondContact O-NH1 3.5Å; V301-R333 VanDerWaalsContact O-NH1 3.11Å; V301-R333 PolarHBondContact O-NH2 2.76Å; L331-R333 HydrophobicContact CB-CG 4.43Å; L331-R333 PolarHBondContact O-N 2.98Å; R333-V345 CarbonylContact O-C 3.3Å; R333-V345 VanDerWaalsContact O-CA 3.26Å; R333-V345 WeakPolarHBondContact O-CA 3.49Å; R333-V345 WeakPolarHBondContact O-CG2 3.45Å; R333-F346 HydrophobicContact CB-CD1 4Å; R333-F346 HydrophobicContact CB-CE1 3.48Å; R333-F346 VanDerWaalsContact CB-CE1 3.48Å; R333-F346 HydrophobicContact CB-CZ 3.96Å; R333-F346 PolarHBondContact N-O 3.3Å; R333-F346 VanDerWaalsContact O-CD1 3.3Å; R333-F346 WeakPolarHBondContact O-CD1 3.41Å; R333-F346 PolarHBondContact O-N 3.41Å; R333-Y348 HydrophobicContact CG-CD1 4.23Å; R333-Y348 HydrophobicContact CG-CG 4.23Å; R333-N357 VanDerWaalsContact CB-OD1 3.31Å; R333-N357 WeakPolarHBondContact CB-OD1 3.32Å; R333-N357 VanDerWaalsContact CD-OD1 3.27Å; R333-N357 WeakPolarHBondContact CD-OD1 3.05Å; R333-N357 WeakPolarHBondContact CG-OD1 3.36Å; R333-N357 PolarHBondContact NH1-OD1 2.96Å; R333-F358 CarbonylContact C-O 3.44Å; R333-F358 WeakPolarHBondContact CA-O 3.5Å; R333-F358 WeakPolarHBondContact CB-O 2.96Å; R333-F358 WeakPolarHBondContact CD-O 3.44Å
334	Y	94.1	Very high	87.2	Confident	66 Å²	66	62.9 Å²	62.9	26%	0.259	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.5	175.1	-65	-96.1	0	0	0	109.6	N344 V345 F358 L361	Y334-N344 CarbonylContact C-O 3.57Å; Y334-N344 WeakPolarHBondContact CA-O 3.47Å; Y334-V345 HydrophobicContact CD1-CB 4.18Å; Y334-V345 HydrophobicContact CE1-CB 3.92Å; Y334-V345 HydrophobicContact CE1-CG2 4.45Å; Y334-F358 PolarHBondContact N-O 3.12Å; Y334-F358 WeakPolarHBondContact O-CD2 3.46Å; Y334-F358 PolarHBondContact O-N 2.93Å; Y334-L361 HydrophobicContact CD1-CB 3.98Å; Y334-L361 HydrophobicContact CD1-CD1 3.77Å; Y334-L361 HydrophobicContact CD1-CG 4.48Å; Y334-L361 HydrophobicContact CD2-CB 4.49Å; Y334-L361 VanDerWaalsContact CD2-N 3.34Å; Y334-L361 HydrophobicContact CE1-CB 3.72Å; Y334-L361 HydrophobicContact CE1-CD1 3.96Å; Y334-L361 HydrophobicContact CE1-CG 4.32Å; Y334-L361 HydrophobicContact CE2-CB 4.27Å; Y334-L361 HydrophobicContact CG-CB 4.36Å
335	Y	94.4	Very high	87.3	Confident	34 Å²	34	63.5 Å²	63.5	13%	0.133	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.1	170.6	78.6	-75.2	0	0	0	109.1	K322 D337 C343 N344 F346 N356	K322-Y335 HydrophobicContact CB-CD1 4.48Å; K322-Y335 HydrophobicContact CB-CD2 3.59Å; K322-Y335 HydrophobicContact CB-CE2 3.71Å; K322-Y335 HydrophobicContact CB-CG 3.99Å; K322-Y335 HydrophobicContact CD-CD1 3.7Å; K322-Y335 HydrophobicContact CD-CD2 4.24Å; K322-Y335 HydrophobicContact CD-CE1 3.47Å; K322-Y335 VanDerWaalsContact CD-CE1 3.47Å; K322-Y335 HydrophobicContact CD-CE2 4.02Å; K322-Y335 HydrophobicContact CD-CG 4.08Å; K322-Y335 HydrophobicContact CG-CD1 3.97Å; K322-Y335 HydrophobicContact CG-CD2 3.99Å; K322-Y335 HydrophobicContact CG-CE1 4.2Å; K322-Y335 HydrophobicContact CG-CE2 4.19Å; K322-Y335 HydrophobicContact CG-CG 3.87Å; Y335-D337 HydrophobicContact CE2-CB 3.86Å; Y335-C343 CarbonylContact O-C 3.45Å; Y335-C343 WeakPolarHBondContact O-CA 3.46Å; Y335-N344 HydrophobicContact CD1-CB 4.19Å; Y335-N344 WeakPolarHBondContact CD1-O 3.35Å; Y335-N344 HydrophobicContact CE1-CB 3.55Å; Y335-N344 PolarHBondContact N-O 3.49Å; Y335-N344 PolarHBondContact O-N 2.85Å; Y335-F346 HydrophobicContact CD1-CB 3.93Å; Y335-F346 AromaticContact CD1-CD1 3.57Å; Y335-F346 HydrophobicContact CD1-CD1 3.57Å; Y335-F346 HydrophobicContact CD1-CE1 4.31Å; Y335-F346 AromaticContact CD1-CG 3.91Å; Y335-F346 HydrophobicContact CD1-CG 3.91Å; Y335-F346 HydrophobicContact CE1-CB 4.14Å; Y335-F346 HydrophobicContact CG-CD1 4.16Å; Y335-F346 HydrophobicContact CG-CE1 4.47Å; Y335-N356 WeakPolarHBondContact CA-OD1 3.46Å; Y335-N356 VanDerWaalsContact CB-O 3.26Å; Y335-N356 WeakPolarHBondContact CB-O 3.19Å
336	Y	94	Very high	87.5	Confident	11 Å²	11	63 Å²	63	4%	0.043	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121	173.1	-179.4	-102.7	0	0	0	110.1	C318 N356 C368 P369 V370	C318-Y336 HydrophobicContact CB-CD1 3.69Å; C318-Y336 HydrophobicContact CB-CE1 4.01Å; C318-Y336 HydrophobicContact CB-CG 4.33Å; C318-Y336 WeakPolarHBondContact O-CD1 3.33Å; Y336-N356 PolarHBondContact N-OD1 3.35Å; Y336-N356 PolarHBondContact O-ND2 2.8Å; Y336-C368 HydrophobicContact CD1-CB 4.03Å; Y336-C368 HydrophobicContact CD2-CB 3.35Å; Y336-C368 HydrophobicContact CE1-CB 4.48Å; Y336-C368 HydrophobicContact CE2-CB 3.88Å; Y336-C368 HydrophobicContact CG-CB 3.42Å; Y336-C368 VanDerWaalsContact CG-CB 3.42Å; Y336-P369 VanDerWaalsContact CE2-O 3.22Å; Y336-P369 WeakPolarHBondContact CE2-O 3.44Å; Y336-P369 VanDerWaalsContact CZ-O 3.3Å; Y336-P369 PolarHBondContact OH-O 2.75Å; Y336-V370 HydrophobicContact CD2-CG2 3.96Å; Y336-V370 HydrophobicContact CE2-CG2 3.96Å
337	D	89.5	Confident	87.8	Confident	38 Å²	38	61 Å²	61	20%	0.203	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.2	170.7	177.1	4.7	0	0	0	109	Y335 A339 T340 Q341 R342	Y335-D337 HydrophobicContact CE2-CB 3.86Å; D337-A339 PolarHBondContact O-N 2.83Å; D337-A339 WeakPolarHBondContact OD1-CB 3.32Å; D337-A339 PolarHBondContact OD1-N 3.29Å; D337-T340 WeakPolarHBondContact CB-OG1 3.37Å; D337-T340 PolarHBondContact O-N 3.14Å; D337-T340 WeakPolarHBondContact OD2-CG2 3.47Å; D337-T340 PolarHBondContact OD2-OG1 2.84Å; D337-Q341 VanDerWaalsContact O-CA 3.26Å; D337-Q341 WeakPolarHBondContact O-CA 3.41Å; D337-Q341 PolarHBondContact O-N 2.79Å; D337-R342 PolarHBondContact N-O 3.03Å; D337-R342 PolarHBondContact O-N 3.48Å
338	S	83.2	Confident	88.2	Confident	82 Å²	82	58.3 Å²	58.3	57%	0.573	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20	-178.7	56.4	0	0	0	0	113.7
339	A	80.8	Confident	88.6	Confident	89 Å²	89	54.3 Å²	54.3	74%	0.736	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-39.6	176.9	0	0	0	0	0	111.8	D337	D337-A339 PolarHBondContact O-N 2.83Å; D337-A339 WeakPolarHBondContact OD1-CB 3.32Å; D337-A339 PolarHBondContact OD1-N 3.29Å
340	T	79.8	Confident	88.8	Confident	69 Å²	69	53.1 Å²	53.1	42%	0.423	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.8	178.6	57.3	0	0	0	0	113.2	D337 R342	D337-T340 WeakPolarHBondContact CB-OG1 3.37Å; D337-T340 PolarHBondContact O-N 3.14Å; D337-T340 WeakPolarHBondContact OD2-CG2 3.47Å; D337-T340 PolarHBondContact OD2-OG1 2.84Å; T340-R342 WeakPolarHBondContact O-CG 3.49Å; T340-R342 PolarHBondContact O-N 3.27Å
341	Q	81.2	Confident	89	Confident	91 Å²	91	51.7 Å²	51.7	43%	0.425	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	43.2	-170.9	-59.4	-173	-67.5	0	0	112.1	D337 V370 F371	D337-Q341 VanDerWaalsContact O-CA 3.26Å; D337-Q341 WeakPolarHBondContact O-CA 3.41Å; D337-Q341 PolarHBondContact O-N 2.79Å; Q341-V370 CarbonylContact O-C 3.49Å; Q341-V370 VanDerWaalsContact O-CA 3.3Å; Q341-V370 WeakPolarHBondContact O-CA 3.5Å; Q341-F371 HydrophobicContact CB-CB 3.91Å; Q341-F371 PolarHBondContact O-N 2.77Å
342	R	84	Confident	89.1	Confident	71 Å²	71	50.4 Å²	50.4	27%	0.268	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.2	-175.4	-77	175.5	178.1	-170	-8.4	111.9	D337 T340 E379	D337-R342 PolarHBondContact N-O 3.03Å; D337-R342 PolarHBondContact O-N 3.48Å; T340-R342 WeakPolarHBondContact O-CG 3.49Å; T340-R342 PolarHBondContact O-N 3.27Å; R342-E379 IonicContact CZ-OE2 3.04Å; R342-E379 IonicContact NH1-OE2 3.42Å; R342-E379 IonicContact NH2-OE2 2.73Å; R342-E379 PolarHBondContact NH2-OE2 2.92Å
343	C	91	Very high	89	Confident	13 Å²	13	44.4 Å²	44.4	9%	0.088	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.5	172.2	-75	0	0	0	0	110.1	Y335 L361 C364 E365 V370	Y335-C343 CarbonylContact O-C 3.45Å; Y335-C343 WeakPolarHBondContact O-CA 3.46Å; C343-L361 HydrophobicContact CB-CD1 3.58Å; C343-C364 HydrophobicContact CB-CB 3.67Å; C343-C364 WeakPolarHBondContact CB-SG 3.35Å; C343-C364 WeakPolarHBondContact SG-CB 3.2Å; C343-C364 CovalentContact SG-SG 2.02Å; C343-C364 PolarHBondContact SG-SG 3.12Å; C343-E365 HydrophobicContact CB-CG 4.27Å; C343-V370 HydrophobicContact CB-CG2 4.34Å; C343-V370 WeakPolarHBondContact SG-CG2 3.24Å
344	N	90.2	Very high	88.8	Confident	58 Å²	58	44.8 Å²	44.8	31%	0.31	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.6	-177.4	-68.8	-51.5	0	0	0	110.5	Y334 Y335	Y334-N344 CarbonylContact C-O 3.57Å; Y334-N344 WeakPolarHBondContact CA-O 3.47Å; Y335-N344 HydrophobicContact CD1-CB 4.19Å; Y335-N344 WeakPolarHBondContact CD1-O 3.35Å; Y335-N344 HydrophobicContact CE1-CB 3.55Å; Y335-N344 PolarHBondContact N-O 3.49Å; Y335-N344 PolarHBondContact O-N 2.85Å
345	V	92.8	Very high	88.6	Confident	81 Å²	81	42.5 Å²	42.5	49%	0.491	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.8	172.7	67.7	0	0	0	0	110.7	L332 R333 Y334	L332-V345 HydrophobicContact CB-CG2 4.31Å; L332-V345 HydrophobicContact CD2-CG2 4.1Å; R333-V345 CarbonylContact O-C 3.3Å; R333-V345 VanDerWaalsContact O-CA 3.26Å; R333-V345 WeakPolarHBondContact O-CA 3.49Å; R333-V345 WeakPolarHBondContact O-CG2 3.45Å; Y334-V345 HydrophobicContact CD1-CB 4.18Å; Y334-V345 HydrophobicContact CE1-CB 3.92Å; Y334-V345 HydrophobicContact CE1-CG2 4.45Å
346	F	93	Very high	88.5	Confident	14 Å²	14	41 Å²	41	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.2	172.3	79.6	-69.5	0	0	0	111.4	K322 S323 R333 Y335 Y348 N357	K322-F346 HydrophobicContact CD-CB 3.87Å; K322-F346 HydrophobicContact CD-CD2 3.99Å; K322-F346 HydrophobicContact CD-CG 3.97Å; K322-F346 HydrophobicContact CG-CD2 3.91Å; K322-F346 HydrophobicContact CG-CE2 4.21Å; K322-F346 HydrophobicContact CG-CG 4.17Å; S323-F346 WeakPolarHBondContact O-CE2 2.96Å; R333-F346 HydrophobicContact CB-CD1 4Å; R333-F346 HydrophobicContact CB-CE1 3.48Å; R333-F346 VanDerWaalsContact CB-CE1 3.48Å; R333-F346 HydrophobicContact CB-CZ 3.96Å; R333-F346 PolarHBondContact N-O 3.3Å; R333-F346 VanDerWaalsContact O-CD1 3.3Å; R333-F346 WeakPolarHBondContact O-CD1 3.41Å; R333-F346 PolarHBondContact O-N 3.41Å; Y335-F346 HydrophobicContact CD1-CB 3.93Å; Y335-F346 AromaticContact CD1-CD1 3.57Å; Y335-F346 HydrophobicContact CD1-CD1 3.57Å; Y335-F346 HydrophobicContact CD1-CE1 4.31Å; Y335-F346 AromaticContact CD1-CG 3.91Å; Y335-F346 HydrophobicContact CD1-CG 3.91Å; Y335-F346 HydrophobicContact CE1-CB 4.14Å; Y335-F346 HydrophobicContact CG-CD1 4.16Å; Y335-F346 HydrophobicContact CG-CE1 4.47Å; F346-Y348 HydrophobicContact CE2-CD2 4.29Å; F346-N357 HydrophobicContact CZ-CB 4.21Å
347	E	91.4	Very high	88.5	Confident	111 Å²	111	41.3 Å²	41.3	52%	0.519	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.3	176.7	-169.9	179.5	177.7	0	0	110	S330	S330-E347 WeakPolarHBondContact CB-OE1 3.43Å; S330-E347 WeakPolarHBondContact OG-CG 3.26Å; S330-E347 PolarHBondContact OG-OE1 2.04Å
348	Y	93.2	Very high	88.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.5	180	177.9	-124.1	0	0	0	111.3	H300 T324 L331 R333 F346 G350 T351 A352 G353 N357	H300-Y348 PolarHBondContact CD2-OH 2.89Å; H300-Y348 AromaticContact NE2-CZ 3.83Å; H300-Y348 PolarHBondContact NE2-OH 3.24Å; T324-Y348 VanDerWaalsContact O-CD2 3.22Å; T324-Y348 WeakPolarHBondContact O-CD2 3.31Å; L331-Y348 HydrophobicContact CD1-CD1 4.3Å; L331-Y348 PolarHBondContact N-O 3.1Å; L331-Y348 WeakPolarHBondContact O-CB 3.43Å; L331-Y348 PolarHBondContact O-N 3.42Å; R333-Y348 HydrophobicContact CG-CD1 4.23Å; R333-Y348 HydrophobicContact CG-CG 4.23Å; F346-Y348 HydrophobicContact CE2-CD2 4.29Å; Y348-G350 VanDerWaalsContact CE1-C 3.42Å; Y348-G350 VanDerWaalsContact CE1-CA 3.46Å; Y348-G350 PolarHBondContact O-N 2.85Å; Y348-G350 VanDerWaalsContact O-N 3.17Å; Y348-T351 VanDerWaalsContact OH-CA 3.28Å; Y348-T351 WeakPolarHBondContact OH-CA 3.3Å; Y348-T351 PolarHBondContact OH-N 3.18Å; Y348-T351 PolarHBondContact OH-O 3.34Å; Y348-A352 PolarHBondContact OH-N 2.92Å; Y348-G353 WeakPolarHBondContact OH-CA 3.16Å; Y348-G353 PolarHBondContact OH-N 3.39Å; Y348-N357 VanDerWaalsContact CD1-ND2 3.33Å; Y348-N357 WeakPolarHBondContact CD1-ND2 3.07Å; Y348-N357 WeakPolarHBondContact CD2-ND2 3.25Å; Y348-N357 WeakPolarHBondContact CE1-ND2 3.26Å; Y348-N357 VanDerWaalsContact CE2-ND2 3.32Å; Y348-N357 WeakPolarHBondContact CE2-ND2 3.49Å
349	S	90.6	Very high	88.6	Confident	24 Å²	24	40.5 Å²	40.5	17%	0.168	23%	0.226	C	C	.	.			trans	-75.5	-0.6	-174.8	-58.7	0	0	0	0	115.3	T324 K326 G327 A329	T324-S349 WeakPolarHBondContact O-CB 3.01Å; T324-S349 PolarHBondContact O-N 3.06Å; T324-S349 PolarHBondContact O-OG 3.23Å; K326-S349 VanDerWaalsContact C-CB 3.41Å; K326-S349 CarbonylContact O-C 3.57Å; K326-S349 WeakPolarHBondContact O-CB 3.45Å; K326-S349 VanDerWaalsContact O-O 3.12Å; G327-S349 WeakPolarHBondContact CA-O 3.33Å; A329-S349 WeakPolarHBondContact CB-O 3.26Å; A329-S349 PolarHBondContact N-O 2.02Å; A329-S349 VanDerWaalsContact O-CA 3.31Å; A329-S349 WeakPolarHBondContact O-CA 3.22Å
350	G	86.1	Confident	89	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	97.9	-24	171.1	0	0	0	0	0	115.4	H300 G302 Y348	H300-G350 PolarHBondContact CE1-O 3.44Å; G302-G350 WeakPolarHBondContact CA-O 3.45Å; Y348-G350 VanDerWaalsContact CE1-C 3.42Å; Y348-G350 VanDerWaalsContact CE1-CA 3.46Å; Y348-G350 PolarHBondContact O-N 2.85Å; Y348-G350 VanDerWaalsContact O-N 3.17Å
351	T	90.5	Very high	89.3	Confident	45 Å²	45	38.6 Å²	38.6	28%	0.276	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-138.4	165.3	176.5	66.8	0	0	0	0	112.2	P268 G325 K326 Y348 G353	P268-T351 HydrophobicContact CB-CG2 4.09Å; G325-T351 CarbonylContact C-O 3.51Å; G325-T351 WeakPolarHBondContact CA-O 3.49Å; K326-T351 PolarHBondContact N-O 3.3Å; K326-T351 PolarHBondContact O-N 3.18Å; K326-T351 VanDerWaalsContact O-N 3.14Å; K326-T351 PolarHBondContact O-OG1 3.07Å; Y348-T351 VanDerWaalsContact OH-CA 3.28Å; Y348-T351 WeakPolarHBondContact OH-CA 3.3Å; Y348-T351 PolarHBondContact OH-N 3.18Å; Y348-T351 PolarHBondContact OH-O 3.34Å; T351-G353 VanDerWaalsContact C-N 3.26Å; T351-G353 PolarHBondContact O-N 2.88Å
352	A	87.7	Confident	89.3	Confident	20 Å²	20	40 Å²	40	17%	0.165	21%	0.209	C	C	.	.	S	Bend	trans	59.6	28.7	174.8	0	0	0	0	0	115.3	P268 S270 K326 Y348	P268-A352 WeakPolarHBondContact O-CA 3.37Å; P268-A352 PolarHBondContact O-N 3.1Å; S270-A352 WeakPolarHBondContact CB-O 3.3Å; K326-A352 HydrophobicContact CB-CB 4.23Å; K326-A352 HydrophobicContact CD-CB 4.47Å; K326-A352 HydrophobicContact CG-CB 4.27Å; Y348-A352 PolarHBondContact OH-N 2.92Å
353	G	86.9	Confident	89.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.			trans	-75.7	177.6	168	0	0	0	0	0	113.2	S270 Y348 T351	S270-G353 VanDerWaalsContact CB-O 3.26Å; S270-G353 WeakPolarHBondContact CB-O 2.97Å; S270-G353 PolarHBondContact OG-O 3.17Å; Y348-G353 WeakPolarHBondContact OH-CA 3.16Å; Y348-G353 PolarHBondContact OH-N 3.39Å; T351-G353 VanDerWaalsContact C-N 3.26Å; T351-G353 PolarHBondContact O-N 2.88Å
354	N	90.1	Very high	89.3	Confident	23 Å²	23	39.1 Å²	39.1	12%	0.123	21%	0.209	C	C	.	.			trans	-115.2	-177	168.4	62.8	12	0	0	0	109.6	W298 L320 P321 N356 N357	W298-N354 VanDerWaalsContact CH2-C 3.5Å; W298-N354 WeakPolarHBondContact CH2-O 3.25Å; L320-N354 HydrophobicContact CD1-CB 4.1Å; P321-N354 PolarHBondContact O-ND2 3.07Å; P321-N354 PolarHBondContact O-OD1 2.84Å; N354-N356 PolarHBondContact O-N 3.29Å; N354-N356 PolarHBondContact OD1-N 2.85Å; N354-N357 WeakPolarHBondContact O-CB 3.49Å
355	E	90.4	Very high	89.1	Confident	18 Å²	18	40.7 Å²	40.7	8%	0.084	21%	0.214	C	C	.	.	S	Bend	trans	-68.1	-17.1	-175.6	-69.6	178.4	-113.4	0	0	114.2	W298 A314 S315 P317 L320 N357	W298-E355 VanDerWaalsContact CB-CD 3.43Å; W298-E355 HydrophobicContact CB-CG 3.61Å; W298-E355 WeakPolarHBondContact CB-OE2 3.22Å; W298-E355 HydrophobicContact CD2-CB 4.42Å; W298-E355 HydrophobicContact CD2-CG 3.25Å; W298-E355 HydrophobicContact CE3-CB 4.42Å; W298-E355 HydrophobicContact CE3-CG 3.62Å; W298-E355 VanDerWaalsContact CG-CD 3.48Å; W298-E355 HydrophobicContact CG-CG 3.22Å; W298-E355 HydrophobicContact CZ2-CG 4.43Å; W298-E355 HydrophobicContact CZ3-CG 4.33Å; A314-E355 WeakPolarHBondContact CA-OE1 3.37Å; A314-E355 PolarHBondContact N-OE1 3.12Å; S315-E355 PolarHBondContact N-OE1 3.31Å; P317-E355 HydrophobicContact CB-CB 3.82Å; P317-E355 HydrophobicContact CG-CB 3.83Å; L320-E355 HydrophobicContact CD1-CB 3.82Å; E355-N357 PolarHBondContact O-N 3.48Å
356	N	92.9	Very high	88.7	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.223	C	C	.	.			trans	-78.5	55.5	176.4	-159.6	1.7	0	0	0	111.5	P317 L320 Y335 Y336 N354 F358	P317-N356 VanDerWaalsContact O-CB 3.22Å; P317-N356 WeakPolarHBondContact O-CB 3.28Å; L320-N356 HydrophobicContact CB-CB 4.07Å; L320-N356 PolarHBondContact O-ND2 3.3Å; Y335-N356 WeakPolarHBondContact CA-OD1 3.46Å; Y335-N356 VanDerWaalsContact CB-O 3.26Å; Y335-N356 WeakPolarHBondContact CB-O 3.19Å; Y336-N356 PolarHBondContact N-OD1 3.35Å; Y336-N356 PolarHBondContact O-ND2 2.8Å; N354-N356 PolarHBondContact O-N 3.29Å; N354-N356 PolarHBondContact OD1-N 2.85Å; N356-F358 WeakPolarHBondContact OD1-CE2 3.46Å
357	N	92.3	Very high	88.3	Confident	19 Å²	19	49.7 Å²	49.7	10%	0.102	25%	0.245	C	C	.	.			trans	-150.4	89.8	-171.3	-177.1	-22.1	0	0	0	108.9	R333 F346 Y348 N354 E355	R333-N357 VanDerWaalsContact CB-OD1 3.31Å; R333-N357 WeakPolarHBondContact CB-OD1 3.32Å; R333-N357 VanDerWaalsContact CD-OD1 3.27Å; R333-N357 WeakPolarHBondContact CD-OD1 3.05Å; R333-N357 WeakPolarHBondContact CG-OD1 3.36Å; R333-N357 PolarHBondContact NH1-OD1 2.96Å; F346-N357 HydrophobicContact CZ-CB 4.21Å; Y348-N357 VanDerWaalsContact CD1-ND2 3.33Å; Y348-N357 WeakPolarHBondContact CD1-ND2 3.07Å; Y348-N357 WeakPolarHBondContact CD2-ND2 3.25Å; Y348-N357 WeakPolarHBondContact CE1-ND2 3.26Å; Y348-N357 VanDerWaalsContact CE2-ND2 3.32Å; Y348-N357 WeakPolarHBondContact CE2-ND2 3.49Å; N354-N357 WeakPolarHBondContact O-CB 3.49Å; E355-N357 PolarHBondContact O-N 3.48Å
358	F	90.9	Very high	88.2	Confident	20 Å²	20	44.7 Å²	44.7	9%	0.088	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-100	146	-175.7	-58.7	-82.9	0	0	0	110.8	P317 R333 Y334 N356 D363 C364 R367	P317-F358 HydrophobicContact CB-CZ 3.84Å; R333-F358 CarbonylContact C-O 3.44Å; R333-F358 WeakPolarHBondContact CA-O 3.5Å; R333-F358 WeakPolarHBondContact CB-O 2.96Å; R333-F358 WeakPolarHBondContact CD-O 3.44Å; Y334-F358 PolarHBondContact N-O 3.12Å; Y334-F358 WeakPolarHBondContact O-CD2 3.46Å; Y334-F358 PolarHBondContact O-N 2.93Å; N356-F358 WeakPolarHBondContact OD1-CE2 3.46Å; F358-D363 HydrophobicContact CB-CB 4.28Å; F358-D363 HydrophobicContact CD1-CB 4.22Å; F358-C364 HydrophobicContact CB-CB 3.7Å; F358-C364 HydrophobicContact CD1-CB 4.29Å; F358-C364 HydrophobicContact CD2-CB 3.49Å; F358-C364 VanDerWaalsContact CD2-CB 3.49Å; F358-C364 WeakPolarHBondContact CD2-SG 3.29Å; F358-C364 HydrophobicContact CE2-CB 4.16Å; F358-C364 HydrophobicContact CG-CB 3.55Å; F358-R367 HydrophobicContact CE1-CB 3.57Å; F358-R367 HydrophobicContact CE1-CG 3.69Å; F358-R367 HydrophobicContact CZ-CB 3.91Å; F358-R367 HydrophobicContact CZ-CG 3.83Å
359	M	85.2	Confident	87.5	Confident	83 Å²	83	48.6 Å²	48.6	41%	0.409	25%	0.248	S	C	.	.	S	Bend	trans	-79.9	-35.5	-177.8	-167.8	171.7	61.2	0	0	112.1	V287	V287-M359 HydrophobicContact CB-CE 4.15Å; V287-M359 HydrophobicContact CG1-CE 3.65Å; V287-M359 HydrophobicContact CG2-CE 3.34Å; V287-M359 HydrophobicContact CG2-SD 3.71Å
360	T	88.8	Confident	86.9	Confident	54 Å²	54	49 Å²	49	33%	0.331	25%	0.249	S	C	.	.	S	Bend	trans	-122.3	159	177	73.3	0	0	0	0	111.2	Q362 D363 C364	T360-Q362 VanDerWaalsContact C-N 3.29Å; T360-D363 PolarHBondContact N-OD2 2.79Å; T360-D363 PolarHBondContact O-N 3.47Å; T360-D363 PolarHBondContact OG1-N 3.37Å; T360-D363 VanDerWaalsContact OG1-N 3.08Å; T360-D363 PolarHBondContact OG1-OD1 2.87Å; T360-D363 PolarHBondContact OG1-OD2 2.85Å; T360-C364 PolarHBondContact O-N 2.82Å
361	L	85.3	Confident	86.2	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-45.3	173.6	177.5	60.1	0	0	0	110.6	Y334 C343 D363 C364 E365	Y334-L361 HydrophobicContact CD1-CB 3.98Å; Y334-L361 HydrophobicContact CD1-CD1 3.77Å; Y334-L361 HydrophobicContact CD1-CG 4.48Å; Y334-L361 HydrophobicContact CD2-CB 4.49Å; Y334-L361 VanDerWaalsContact CD2-N 3.34Å; Y334-L361 HydrophobicContact CE1-CB 3.72Å; Y334-L361 HydrophobicContact CE1-CD1 3.96Å; Y334-L361 HydrophobicContact CE1-CG 4.32Å; Y334-L361 HydrophobicContact CE2-CB 4.27Å; Y334-L361 HydrophobicContact CG-CB 4.36Å; C343-L361 HydrophobicContact CB-CD1 3.58Å; L361-D363 PolarHBondContact O-N 2.93Å; L361-C364 WeakPolarHBondContact O-CB 3.21Å; L361-C364 PolarHBondContact O-N 2.72Å; L361-C364 VanDerWaalsContact O-N 3.1Å; L361-E365 HydrophobicContact CD1-CG 4.1Å; L361-E365 WeakPolarHBondContact CD1-OE1 2.97Å; L361-E365 HydrophobicContact CG-CG 4.31Å; L361-E365 WeakPolarHBondContact CG-OE1 3Å; L361-E365 WeakPolarHBondContact O-CG 3.47Å; L361-E365 PolarHBondContact O-N 2.95Å
362	Q	81.3	Confident	85.3	Confident	121 Å²	121	52.3 Å²	52.3	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-58.7	-42.7	179	-174.6	178.8	3.1	0	0	112.4	T360 C364 E365 Q366	T360-Q362 VanDerWaalsContact C-N 3.29Å; Q362-C364 VanDerWaalsContact C-N 3.27Å; Q362-C364 PolarHBondContact O-N 2.82Å; Q362-E365 PolarHBondContact O-N 2.79Å; Q362-Q366 HydrophobicContact CG-CG 4.33Å; Q362-Q366 WeakPolarHBondContact O-CB 3.39Å; Q362-Q366 VanDerWaalsContact O-CG 3.3Å; Q362-Q366 WeakPolarHBondContact O-CG 3.42Å; Q362-Q366 PolarHBondContact O-N 3.19Å
363	D	85.2	Confident	85	Confident	65 Å²	65	54.1 Å²	54.1	35%	0.348	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-37.9	177.5	-62.9	-38.3	0	0	0	111.8	F358 T360 L361 R367	F358-D363 HydrophobicContact CB-CB 4.28Å; F358-D363 HydrophobicContact CD1-CB 4.22Å; T360-D363 PolarHBondContact N-OD2 2.79Å; T360-D363 PolarHBondContact O-N 3.47Å; T360-D363 PolarHBondContact OG1-N 3.37Å; T360-D363 VanDerWaalsContact OG1-N 3.08Å; T360-D363 PolarHBondContact OG1-OD1 2.87Å; T360-D363 PolarHBondContact OG1-OD2 2.85Å; L361-D363 PolarHBondContact O-N 2.93Å; D363-R367 VanDerWaalsContact O-CB 3.29Å; D363-R367 WeakPolarHBondContact O-CB 3.46Å; D363-R367 PolarHBondContact O-N 2.75Å
364	C	90.6	Very high	84.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-48	177.1	-176	0	0	0	0	111.3	C343 F358 T360 L361 Q362 Q366 R367 C368	C343-C364 HydrophobicContact CB-CB 3.67Å; C343-C364 WeakPolarHBondContact CB-SG 3.35Å; C343-C364 WeakPolarHBondContact SG-CB 3.2Å; C343-C364 CovalentContact SG-SG 2.02Å; C343-C364 PolarHBondContact SG-SG 3.12Å; F358-C364 HydrophobicContact CB-CB 3.7Å; F358-C364 HydrophobicContact CD1-CB 4.29Å; F358-C364 HydrophobicContact CD2-CB 3.49Å; F358-C364 VanDerWaalsContact CD2-CB 3.49Å; F358-C364 WeakPolarHBondContact CD2-SG 3.29Å; F358-C364 HydrophobicContact CE2-CB 4.16Å; F358-C364 HydrophobicContact CG-CB 3.55Å; T360-C364 PolarHBondContact O-N 2.82Å; L361-C364 WeakPolarHBondContact O-CB 3.21Å; L361-C364 PolarHBondContact O-N 2.72Å; L361-C364 VanDerWaalsContact O-N 3.1Å; Q362-C364 VanDerWaalsContact C-N 3.27Å; Q362-C364 PolarHBondContact O-N 2.82Å; C364-Q366 VanDerWaalsContact C-N 3.32Å; C364-Q366 PolarHBondContact O-N 2.65Å; C364-R367 PolarHBondContact O-N 2.86Å; C364-C368 WeakPolarHBondContact O-CB 3.3Å; C364-C368 PolarHBondContact O-N 3.26Å
365	E	85.9	Confident	84.8	Confident	90 Å²	90	53.5 Å²	53.5	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-65.5	-33	-179.6	-73.3	173.2	166.6	0	0	112.8	C343 L361 Q362 V370	C343-E365 HydrophobicContact CB-CG 4.27Å; L361-E365 HydrophobicContact CD1-CG 4.1Å; L361-E365 WeakPolarHBondContact CD1-OE1 2.97Å; L361-E365 HydrophobicContact CG-CG 4.31Å; L361-E365 WeakPolarHBondContact CG-OE1 3Å; L361-E365 WeakPolarHBondContact O-CG 3.47Å; L361-E365 PolarHBondContact O-N 2.95Å; Q362-E365 PolarHBondContact O-N 2.79Å; E365-V370 HydrophobicContact CB-CG2 4.3Å; E365-V370 HydrophobicContact CG-CB 4.27Å; E365-V370 HydrophobicContact CG-CG1 4.32Å; E365-V370 HydrophobicContact CG-CG2 3.87Å
366	Q	83.7	Confident	84.5	Confident	144 Å²	144	55 Å²	55	67%	0.673	29%	0.287	S	S	*	.	H	α-helix	trans	-75.6	-32.6	175	-74	-175.8	-5.8	0	0	112.7	Q362 C364	Q362-Q366 HydrophobicContact CG-CG 4.33Å; Q362-Q366 WeakPolarHBondContact O-CB 3.39Å; Q362-Q366 VanDerWaalsContact O-CG 3.3Å; Q362-Q366 WeakPolarHBondContact O-CG 3.42Å; Q362-Q366 PolarHBondContact O-N 3.19Å; C364-Q366 VanDerWaalsContact C-N 3.32Å; C364-Q366 PolarHBondContact O-N 2.65Å
367	R	84.9	Confident	83.8	Confident	140 Å²	140	60.2 Å²	60.2	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-85.2	-30.8	-177.8	-176	56.8	173.5	-86.4	-4.4	112.9	P317 C318 F358 D363 C364	P317-R367 HydrophobicContact CG-CG 4.25Å; C318-R367 PolarHBondContact SG-O 2.78Å; C318-R367 VanDerWaalsContact SG-O 3.42Å; F358-R367 HydrophobicContact CE1-CB 3.57Å; F358-R367 HydrophobicContact CE1-CG 3.69Å; F358-R367 HydrophobicContact CZ-CB 3.91Å; F358-R367 HydrophobicContact CZ-CG 3.83Å; D363-R367 VanDerWaalsContact O-CB 3.29Å; D363-R367 WeakPolarHBondContact O-CB 3.46Å; D363-R367 PolarHBondContact O-N 2.75Å; C364-R367 PolarHBondContact O-N 2.86Å
368	C	89.2	Confident	83.3	Confident	6 Å²	6	61.4 Å²	61.4	4%	0.041	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	149.6	-172.8	-66.2	0	0	0	0	113	C318 Y336 C364 V370	C318-C368 WeakPolarHBondContact CA-SG 3.34Å; C318-C368 HydrophobicContact CB-CB 3.76Å; C318-C368 WeakPolarHBondContact CB-SG 3.02Å; C318-C368 WeakPolarHBondContact SG-CA 3.36Å; C318-C368 WeakPolarHBondContact SG-CB 3.37Å; C318-C368 CovalentContact SG-SG 2.04Å; C318-C368 PolarHBondContact SG-SG 2.83Å; Y336-C368 HydrophobicContact CD1-CB 4.03Å; Y336-C368 HydrophobicContact CD2-CB 3.35Å; Y336-C368 HydrophobicContact CE1-CB 4.48Å; Y336-C368 HydrophobicContact CE2-CB 3.88Å; Y336-C368 HydrophobicContact CG-CB 3.42Å; Y336-C368 VanDerWaalsContact CG-CB 3.42Å; C364-C368 WeakPolarHBondContact O-CB 3.3Å; C364-C368 PolarHBondContact O-N 3.26Å; C368-V370 VanDerWaalsContact C-N 3.25Å; C368-V370 PolarHBondContact O-N 2.89Å
369	P	79.5	Confident	83	Confident	83 Å²	83	64.8 Å²	64.8	54%	0.539	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	81	-176.7	28.4	-30.6	0	0	0	110.2	Y336	Y336-P369 VanDerWaalsContact CE2-O 3.22Å; Y336-P369 WeakPolarHBondContact CE2-O 3.44Å; Y336-P369 VanDerWaalsContact CZ-O 3.3Å; Y336-P369 PolarHBondContact OH-O 2.75Å
370	V	78.3	Confident	83.1	Confident	32 Å²	32	61.1 Å²	61.1	19%	0.194	33%	0.331	C	S	.	.			trans	-73.3	137	172.7	174.8	0	0	0	0	108.7	Y336 Q341 C343 E365 C368 P372	Y336-V370 HydrophobicContact CD2-CG2 3.96Å; Y336-V370 HydrophobicContact CE2-CG2 3.96Å; Q341-V370 CarbonylContact O-C 3.49Å; Q341-V370 VanDerWaalsContact O-CA 3.3Å; Q341-V370 WeakPolarHBondContact O-CA 3.5Å; C343-V370 HydrophobicContact CB-CG2 4.34Å; C343-V370 WeakPolarHBondContact SG-CG2 3.24Å; E365-V370 HydrophobicContact CB-CG2 4.3Å; E365-V370 HydrophobicContact CG-CB 4.27Å; E365-V370 HydrophobicContact CG-CG1 4.32Å; E365-V370 HydrophobicContact CG-CG2 3.87Å; C368-V370 VanDerWaalsContact C-N 3.25Å; C368-V370 PolarHBondContact O-N 2.89Å; V370-P372 WeakPolarHBondContact O-CD 3.27Å; V370-P372 VanDerWaalsContact O-N 3.15Å
371	F	71.5	Confident	83.1	Confident	33 Å²	33	58.7 Å²	58.7	15%	0.145	32%	0.316	C	S	.	.			trans	-63.9	110	170.9	174.5	-95.8	0	0	0	108.4	Q341 N373 I388 L415	Q341-F371 HydrophobicContact CB-CB 3.91Å; Q341-F371 PolarHBondContact O-N 2.77Å; F371-N373 PolarHBondContact O-N 3.36Å; F371-I388 HydrophobicContact CD1-CD1 3.98Å; F371-I388 HydrophobicContact CE1-CD1 3.36Å; F371-I388 HydrophobicContact CE2-CD1 4.19Å; F371-I388 HydrophobicContact CZ-CD1 3.45Å; F371-I388 VanDerWaalsContact CZ-CD1 3.45Å; F371-I388 HydrophobicContact CZ-CG2 4.31Å; F371-L415 HydrophobicContact CE1-CD1 4.33Å; F371-L415 HydrophobicContact CE2-CD1 4.35Å; F371-L415 HydrophobicContact CZ-CD1 3.51Å
372	P	71	Confident	83.2	Confident	83 Å²	83	61 Å²	61	54%	0.539	32%	0.32	S	S	.	.			trans	-71.4	123.3	179.4	-3.3	19.6	0	0	0	108	V370 P374	V370-P372 WeakPolarHBondContact O-CD 3.27Å; V370-P372 VanDerWaalsContact O-N 3.15Å; P372-P374 WeakPolarHBondContact O-CD 3.36Å
373	N	81.3	Confident	83.3	Confident	57 Å²	57	58.2 Å²	58.2	31%	0.305	31%	0.31	S	S	.	.			trans	-70.3	112.5	171.2	178.7	2.7	0	0	0	108.2	F371 C375 G378 P380	F371-N373 PolarHBondContact O-N 3.36Å; N373-C375 PolarHBondContact O-N 3.3Å; N373-C375 VanDerWaalsContact OD1-CB 3.3Å; N373-C375 WeakPolarHBondContact OD1-CB 3.37Å; N373-C375 PolarHBondContact OD1-N 3.49Å; N373-G378 PolarHBondContact ND2-O 3.36Å; N373-P380 WeakPolarHBondContact OD1-CD 3.32Å; N373-P380 WeakPolarHBondContact OD1-CG 3.38Å
374	P	83.6	Confident	83.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	34%	0.337	C	S	.	.			trans	-79	-6.5	-178.8	34.9	-35.3	0	0	0	112.6	P372 H406 L415 G458	P372-P374 WeakPolarHBondContact O-CD 3.36Å; P374-H406 PolarHBondContact O-CD2 3.26Å; P374-H406 PolarHBondContact O-NE2 3.4Å; P374-L415 HydrophobicContact CG-CB 4.22Å; P374-L415 HydrophobicContact CG-CD1 3.45Å; P374-L415 VanDerWaalsContact CG-CD1 3.45Å; P374-L415 HydrophobicContact CG-CG 4.01Å; P374-G458 WeakPolarHBondContact O-CA 3.48Å; P374-G458 PolarHBondContact O-N 2.71Å
375	C	88.7	Confident	82.5	Confident	10 Å²	10	70.6 Å²	70.6	7%	0.068	37%	0.369	C	S	.	.			trans	-83.6	125.3	-177.7	-54	0	0	0	0	111.5	N373 N377 G378 C417	N373-C375 PolarHBondContact O-N 3.3Å; N373-C375 VanDerWaalsContact OD1-CB 3.3Å; N373-C375 WeakPolarHBondContact OD1-CB 3.37Å; N373-C375 PolarHBondContact OD1-N 3.49Å; C375-N377 VanDerWaalsContact C-N 3.34Å; C375-N377 PolarHBondContact O-N 3.08Å; C375-G378 WeakPolarHBondContact CB-O 3.14Å; C375-C417 WeakPolarHBondContact CA-SG 3.46Å; C375-C417 HydrophobicContact CB-CB 3.71Å; C375-C417 WeakPolarHBondContact CB-SG 3.14Å; C375-C417 WeakPolarHBondContact SG-CA 3.34Å; C375-C417 WeakPolarHBondContact SG-CB 3.4Å; C375-C417 CovalentContact SG-SG 2.04Å; C375-C417 PolarHBondContact SG-SG 3.1Å
376	A	84	Confident	81.5	Confident	48 Å²	48	73.5 Å²	73.5	40%	0.397	38%	0.383	S	S	.	.	S	Bend	trans	-63.9	-36.1	178.3	0	0	0	0	0	113.4	G459	A376-G459 WeakPolarHBondContact CB-O 3.17Å
377	N	78	Confident	81.2	Confident	111 Å²	111	72.6 Å²	72.6	59%	0.594	38%	0.379	S	S	*	.	S	Bend	trans	-130.9	80.6	-171.7	-70.8	-56.9	0	0	0	112	C375 P418	C375-N377 VanDerWaalsContact C-N 3.34Å; C375-N377 PolarHBondContact O-N 3.08Å; N377-P418 WeakPolarHBondContact O-CG 3.37Å
378	G	82.4	Confident	81.1	Confident	44 Å²	44	68.5 Å²	68.5	45%	0.454	37%	0.366	S	S	.	.	S	Bend	trans	109.4	-173	174.9	0	0	0	0	0	114	N373 C375	N373-G378 PolarHBondContact ND2-O 3.36Å; C375-G378 WeakPolarHBondContact CB-O 3.14Å
379	E	83.8	Confident	81.1	Confident	92 Å²	92	69.9 Å²	69.9	43%	0.43	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-89.4	146.9	-175.3	-67.7	-70.7	121.1	0	0	111.9	R342 Y403	R342-E379 IonicContact CZ-OE2 3.04Å; R342-E379 IonicContact NH1-OE2 3.42Å; R342-E379 IonicContact NH2-OE2 2.73Å; R342-E379 PolarHBondContact NH2-OE2 2.92Å; E379-Y403 WeakPolarHBondContact O-CE1 3.26Å
380	P	88.7	Confident	81.5	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.032	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-56.6	151.8	170.7	-21	31.5	0	0	0	111.7	N373 I388 L415 C416	N373-P380 WeakPolarHBondContact OD1-CD 3.32Å; N373-P380 WeakPolarHBondContact OD1-CG 3.38Å; P380-I388 HydrophobicContact CB-CG2 3.89Å; P380-L415 HydrophobicContact CB-CD1 4.35Å; P380-L415 HydrophobicContact CG-CD1 4.21Å; P380-C416 CarbonylContact C-O 2.72Å; P380-C416 VanDerWaalsContact CA-O 3.31Å; P380-C416 WeakPolarHBondContact CA-O 3.37Å
381	A	88.9	Confident	82.1	Confident	3 Å²	3	68.3 Å²	68.3	3%	0.025	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-58.7	142.5	174.4	0	0	0	0	0	110.7	V389 P400 Y403 C416	A381-V389 HydrophobicContact CB-CB 4.13Å; A381-V389 HydrophobicContact CB-CG2 4.14Å; A381-V389 PolarHBondContact O-N 2.76Å; A381-P400 HydrophobicContact CB-CG 3.77Å; A381-Y403 HydrophobicContact CB-CD1 3.63Å; A381-Y403 HydrophobicContact CB-CD2 4.2Å; A381-Y403 HydrophobicContact CB-CE1 3.67Å; A381-Y403 HydrophobicContact CB-CE2 4.24Å; A381-Y403 HydrophobicContact CB-CG 3.92Å; A381-Y403 VanDerWaalsContact N-CE1 3.28Å; A381-C416 HydrophobicContact CB-CB 3.83Å; A381-C416 PolarHBondContact N-O 3.17Å
382	R	86.2	Confident	82.7	Confident	113 Å²	113	68.7 Å²	68.7	43%	0.426	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-116.7	142.5	173.6	-67.5	179.8	179.4	-114.5	2.4	110.3	E386 Q387	R382-E386 PolarHBondContact NH1-O 3.27Å; R382-Q387 CarbonylContact C-O 3.56Å; R382-Q387 VanDerWaalsContact CA-O 3.23Å; R382-Q387 WeakPolarHBondContact CA-O 3.27Å
383	D	84.4	Confident	83.2	Confident	63 Å²	63	68.2 Å²	68.2	34%	0.337	37%	0.373	S	S	.	.			trans	-79.1	-178.8	172.1	75.4	4.1	0	0	0	111.8	N385 E386 Q387 V389	D383-N385 PolarHBondContact O-N 3.49Å; D383-N385 WeakPolarHBondContact OD1-CA 3.22Å; D383-N385 WeakPolarHBondContact OD1-CB 3.21Å; D383-N385 PolarHBondContact OD1-N 3.06Å; D383-E386 PolarHBondContact O-N 3.24Å; D383-E386 PolarHBondContact OD1-N 2.05Å; D383-Q387 PolarHBondContact N-O 2.88Å; D383-Q387 WeakPolarHBondContact OD1-CB 3.08Å; D383-Q387 PolarHBondContact OD1-N 3.46Å; D383-V389 HydrophobicContact CB-CG2 4.17Å
384	E	80.7	Confident	83.1	Confident	199 Å²	199	71 Å²	71	93%	0.93	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.9	179.6	-63	-172.4	161.5	0	0	113.9	E386	E384-E386 VanDerWaalsContact C-N 3.34Å
385	N	77.1	Confident	83	Confident	126 Å²	126	75.1 Å²	75.1	67%	0.674	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	13.5	176.5	-60.8	-49.6	0	0	0	112.5	D383 Q387	D383-N385 PolarHBondContact O-N 3.49Å; D383-N385 WeakPolarHBondContact OD1-CA 3.22Å; D383-N385 WeakPolarHBondContact OD1-CB 3.21Å; D383-N385 PolarHBondContact OD1-N 3.06Å; N385-Q387 HydrophobicContact CB-CG 4.32Å; N385-Q387 PolarHBondContact O-N 3.46Å
386	E	66.2	Low	82.5	Confident	150 Å²	150	79 Å²	79	70%	0.701	44%	0.439	S	S	*	.	S	Bend	trans	61.8	13.9	-174.3	-55.1	-175.7	168.3	0	0	114.6	R382 D383 E384	R382-E386 PolarHBondContact NH1-O 3.27Å; D383-E386 PolarHBondContact O-N 3.24Å; D383-E386 PolarHBondContact OD1-N 2.05Å; E384-E386 VanDerWaalsContact C-N 3.34Å
387	Q	77.8	Confident	82.3	Confident	126 Å²	126	84 Å²	84	59%	0.589	46%	0.459	S	S	*	.			trans	-81.5	146.5	175.7	-63.5	-167.5	-29.4	0	0	110.9	R382 D383 N385	R382-Q387 CarbonylContact C-O 3.56Å; R382-Q387 VanDerWaalsContact CA-O 3.23Å; R382-Q387 WeakPolarHBondContact CA-O 3.27Å; D383-Q387 PolarHBondContact N-O 2.88Å; D383-Q387 WeakPolarHBondContact OD1-CB 3.08Å; D383-Q387 PolarHBondContact OD1-N 3.46Å; N385-Q387 HydrophobicContact CB-CG 4.32Å; N385-Q387 PolarHBondContact O-N 3.46Å
388	I	82.8	Confident	82.7	Confident	53 Å²	53	81.1 Å²	81.1	27%	0.272	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-72.8	129.2	-177.9	-63.1	177.4	0	0	0	109.7	F371 P380 A390 L415	F371-I388 HydrophobicContact CD1-CD1 3.98Å; F371-I388 HydrophobicContact CE1-CD1 3.36Å; F371-I388 HydrophobicContact CE2-CD1 4.19Å; F371-I388 HydrophobicContact CZ-CD1 3.45Å; F371-I388 VanDerWaalsContact CZ-CD1 3.45Å; F371-I388 HydrophobicContact CZ-CG2 4.31Å; P380-I388 HydrophobicContact CB-CG2 3.89Å; I388-A390 PolarHBondContact O-N 2.03Å; I388-L415 HydrophobicContact CG2-CD1 3.85Å; I388-L415 HydrophobicContact CG2-CD2 3.94Å; I388-L415 HydrophobicContact CG2-CG 4.41Å
389	V	88.2	Confident	83.2	Confident	36 Å²	36	80.1 Å²	80.1	22%	0.218	43%	0.433	C	S	.	.			trans	-80.2	106.5	180	-175.2	0	0	0	0	109.8	A381 D383 C416	A381-V389 HydrophobicContact CB-CB 4.13Å; A381-V389 HydrophobicContact CB-CG2 4.14Å; A381-V389 PolarHBondContact O-N 2.76Å; D383-V389 HydrophobicContact CB-CG2 4.17Å; V389-C416 HydrophobicContact CB-CB 4.41Å; V389-C416 HydrophobicContact CG1-CB 4.42Å; V389-C416 PolarHBondContact O-N 3.49Å; V389-C416 VanDerWaalsContact O-N 3.1Å
390	A	87.4	Confident	83.4	Confident	66 Å²	66	78.5 Å²	78.5	55%	0.545	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-78.3	147	169	0	0	0	0	0	110.9	I388 L415	I388-A390 PolarHBondContact O-N 2.03Å; A390-L415 HydrophobicContact CB-CD2 3.93Å
391	C	90.7	Very high	83.2	Confident	16 Å²	16	82.2 Å²	82.2	11%	0.108	47%	0.469	C	S	.	.			trans	-118.5	177.7	172.6	66.1	0	0	0	0	109.9	S398 C405 T414 L415	C391-S398 WeakPolarHBondContact CB-OG 3.47Å; C391-C405 HydrophobicContact CB-CB 3.66Å; C391-C405 WeakPolarHBondContact CB-SG 3.26Å; C391-C405 WeakPolarHBondContact SG-CA 3.43Å; C391-C405 WeakPolarHBondContact SG-CB 3.17Å; C391-C405 CovalentContact SG-SG 2.04Å; C391-C405 PolarHBondContact SG-SG 2.73Å; C391-T414 PolarHBondContact N-O 2.9Å; C391-T414 WeakPolarHBondContact O-CG2 3.03Å; C391-L415 VanDerWaalsContact SG-C 3.55Å
392	S	84.5	Confident	83	Confident	40 Å²	40	84.7 Å²	84.7	28%	0.28	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-136.1	151.4	179	76.8	0	0	0	0	111.8	S394 D395 L396	S392-S394 WeakPolarHBondContact CB-OG 3.45Å; S392-S394 PolarHBondContact O-N 3.4Å; S392-S394 PolarHBondContact OG-OG 2.82Å; S392-D395 CarbonylContact O-C 3.55Å; S392-D395 PolarHBondContact O-N 3.48Å; S392-D395 PolarHBondContact OG-N 3.37Å; S392-D395 VanDerWaalsContact OG-N 3.13Å; S392-L396 PolarHBondContact O-N 2.83Å
393	V	80.9	Confident	83.2	Confident	73 Å²	73	83.3 Å²	83.3	44%	0.442	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.3	173.1	-178.2	0	0	0	0	111.5	D395 V407 L465	V393-D395 VanDerWaalsContact C-N 3.26Å; V393-D395 PolarHBondContact O-N 3.1Å; V393-V407 HydrophobicContact CG2-CG1 3.61Å; V393-V407 HydrophobicContact CG2-CG2 4.12Å; V393-L465 HydrophobicContact CB-CD2 4.49Å; V393-L465 HydrophobicContact CG1-CD2 3.55Å; V393-L465 HydrophobicContact CG2-CD2 4.06Å
394	S	79.5	Confident	83.5	Confident	116 Å²	116	82 Å²	82	81%	0.811	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.8	174.3	39.6	0	0	0	0	114.2	S392	S392-S394 WeakPolarHBondContact CB-OG 3.45Å; S392-S394 PolarHBondContact O-N 3.4Å; S392-S394 PolarHBondContact OG-OG 2.82Å
395	D	82.7	Confident	84	Confident	87 Å²	87	72.8 Å²	72.8	47%	0.465	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-146.5	74.6	-178	-170.6	9.7	0	0	0	110.9	S392 V393 D397 S398	S392-D395 CarbonylContact O-C 3.55Å; S392-D395 PolarHBondContact O-N 3.48Å; S392-D395 PolarHBondContact OG-N 3.37Å; S392-D395 VanDerWaalsContact OG-N 3.13Å; V393-D395 VanDerWaalsContact C-N 3.26Å; V393-D395 PolarHBondContact O-N 3.1Å; D395-D397 PolarHBondContact O-N 3.39Å; D395-S398 WeakPolarHBondContact O-CB 3.21Å; D395-S398 PolarHBondContact O-N 3.25Å; D395-S398 PolarHBondContact O-OG 3.28Å
396	L	77.3	Confident	84.7	Confident	93 Å²	93	66.8 Å²	66.8	49%	0.487	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.7	-177.8	-80	139.4	0	0	0	113.5	S392 C405 V407	S392-L396 PolarHBondContact O-N 2.83Å; L396-C405 HydrophobicContact CD2-CB 4.4Å; L396-C405 WeakPolarHBondContact O-CB 3.32Å; L396-V407 HydrophobicContact CD2-CG2 4.16Å
397	D	80.8	Confident	85.9	Confident	153 Å²	153	60.2 Å²	60.2	82%	0.818	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.1	-177.3	-68	-35.6	0	0	0	113.3	D395 C399	D395-D397 PolarHBondContact O-N 3.39Å; D397-C399 PolarHBondContact O-N 3.14Å; D397-C399 VanDerWaalsContact O-N 3.17Å
398	S	86.4	Confident	86.4	Confident	50 Å²	50	54.5 Å²	54.5	35%	0.35	35%	0.351	S	S	.	.			trans	-66.4	-12.1	-178.7	51.2	0	0	0	0	115.4	C391 D395	C391-S398 WeakPolarHBondContact CB-OG 3.47Å; D395-S398 WeakPolarHBondContact O-CB 3.21Å; D395-S398 PolarHBondContact O-N 3.25Å; D395-S398 PolarHBondContact O-OG 3.28Å
399	C	91.2	Very high	86.6	Confident	22 Å²	22	53.6 Å²	53.6	15%	0.149	35%	0.351	C	S	.	.	S	Bend	trans	-80.3	147.4	-173.7	-68.2	0	0	0	0	114.3	D397 W404 C405 C416	D397-C399 PolarHBondContact O-N 3.14Å; D397-C399 VanDerWaalsContact O-N 3.17Å; C399-W404 VanDerWaalsContact SG-C 3.58Å; C399-C405 VanDerWaalsContact SG-CA 3.59Å; C399-C405 PolarHBondContact SG-N 3.5Å; C399-C416 WeakPolarHBondContact CA-SG 3.11Å; C399-C416 HydrophobicContact CB-CB 3.77Å; C399-C416 WeakPolarHBondContact CB-SG 3.22Å; C399-C416 WeakPolarHBondContact SG-CA 3.32Å; C399-C416 WeakPolarHBondContact SG-CB 3.45Å; C399-C416 CovalentContact SG-SG 2.04Å; C399-C416 PolarHBondContact SG-SG 2.83Å
400	P	88.9	Confident	86.5	Confident	59 Å²	59	54.5 Å²	54.5	38%	0.383	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-66.4	161.3	177.4	27.8	-33.9	0	0	0	112.3	A381 G402 Y403	A381-P400 HydrophobicContact CB-CG 3.77Å; P400-G402 PolarHBondContact O-N 3.31Å; P400-Y403 HydrophobicContact CG-CD2 4.07Å; P400-Y403 HydrophobicContact CG-CG 4.32Å; P400-Y403 WeakPolarHBondContact O-CB 3.22Å; P400-Y403 PolarHBondContact O-N 2.77Å
401	G	84.5	Confident	86.2	Confident	82 Å²	82	59.8 Å²	59.8	85%	0.845	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	131.3	-179.2	0	0	0	0	0	113.1	Y403	G401-Y403 VanDerWaalsContact C-N 3.34Å
402	G	84.6	Confident	85.8	Confident	55 Å²	55	65.5 Å²	65.5	57%	0.567	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-7.8	-174.8	0	0	0	0	0	114.4	P400 H419	P400-G402 PolarHBondContact O-N 3.31Å; G402-H419 PolarHBondContact O-N 3.02Å; G402-H419 VanDerWaalsContact O-N 3.07Å
403	Y	91	Very high	85.9	Confident	85 Å²	85	64.2 Å²	64.2	33%	0.333	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.4	176.5	-67.3	-102.9	0	0	0	111.2	E379 A381 P400 G401 C416 C417 P418	E379-Y403 WeakPolarHBondContact O-CE1 3.26Å; A381-Y403 HydrophobicContact CB-CD1 3.63Å; A381-Y403 HydrophobicContact CB-CD2 4.2Å; A381-Y403 HydrophobicContact CB-CE1 3.67Å; A381-Y403 HydrophobicContact CB-CE2 4.24Å; A381-Y403 HydrophobicContact CB-CG 3.92Å; A381-Y403 VanDerWaalsContact N-CE1 3.28Å; P400-Y403 HydrophobicContact CG-CD2 4.07Å; P400-Y403 HydrophobicContact CG-CG 4.32Å; P400-Y403 WeakPolarHBondContact O-CB 3.22Å; P400-Y403 PolarHBondContact O-N 2.77Å; G401-Y403 VanDerWaalsContact C-N 3.34Å; Y403-C416 HydrophobicContact CD1-CB 4.42Å; Y403-C416 WeakPolarHBondContact CD1-O 3.27Å; Y403-C417 CarbonylContact C-O 3.59Å; Y403-C417 WeakPolarHBondContact CA-O 3.45Å; Y403-C417 WeakPolarHBondContact CB-O 3.48Å; Y403-P418 HydrophobicContact CD1-CB 4.25Å; Y403-P418 VanDerWaalsContact CD1-N 3.32Å; Y403-P418 HydrophobicContact CE1-CB 3.99Å; Y403-P418 HydrophobicContact CE1-CG 4.35Å
404	W	89.3	Confident	86.4	Confident	35 Å²	35	61.4 Å²	61.4	13%	0.133	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.8	173.1	71	-76	0	0	0	109.4	C399 H406 C416 C417 P418 R461	C399-W404 VanDerWaalsContact SG-C 3.58Å; W404-H406 HydrophobicContact CH2-CB 4.04Å; W404-H406 HydrophobicContact CZ2-CB 4.03Å; W404-H406 HydrophobicContact CZ3-CB 4.36Å; W404-H406 PolarHBondContact O-N 3.41Å; W404-H406 VanDerWaalsContact O-N 3.11Å; W404-C416 WeakPolarHBondContact O-CA 2.98Å; W404-C417 PolarHBondContact N-O 3.48Å; W404-C417 PolarHBondContact O-N 2.95Å; W404-P418 PolarHBondContact NE1-O 3.49Å; W404-R461 HydrophobicContact CD2-CG 3.43Å; W404-R461 VanDerWaalsContact CD2-CG 3.43Å; W404-R461 HydrophobicContact CE3-CG 3.66Å; W404-R461 HydrophobicContact CG-CG 3.87Å; W404-R461 HydrophobicContact CH2-CG 4.11Å; W404-R461 HydrophobicContact CZ2-CG 3.92Å; W404-R461 HydrophobicContact CZ3-CG 3.99Å
405	C	91.3	Very high	86.9	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.034	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	100.8	176.7	-178.8	0	0	0	0	110.5	C391 L396 C399 V407	C391-C405 HydrophobicContact CB-CB 3.66Å; C391-C405 WeakPolarHBondContact CB-SG 3.26Å; C391-C405 WeakPolarHBondContact SG-CA 3.43Å; C391-C405 WeakPolarHBondContact SG-CB 3.17Å; C391-C405 CovalentContact SG-SG 2.04Å; C391-C405 PolarHBondContact SG-SG 2.73Å; L396-C405 HydrophobicContact CD2-CB 4.4Å; L396-C405 WeakPolarHBondContact O-CB 3.32Å; C399-C405 VanDerWaalsContact SG-CA 3.59Å; C399-C405 PolarHBondContact SG-N 3.5Å; C405-V407 PolarHBondContact O-N 3.32Å
406	H	92.2	Very high	87.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	119.6	169.4	167.8	-71	0	0	0	108.6	P374 W404 S413 T414 L415 C417 Y454 G458	P374-H406 PolarHBondContact O-CD2 3.26Å; P374-H406 PolarHBondContact O-NE2 3.4Å; W404-H406 HydrophobicContact CH2-CB 4.04Å; W404-H406 HydrophobicContact CZ2-CB 4.03Å; W404-H406 HydrophobicContact CZ3-CB 4.36Å; W404-H406 PolarHBondContact O-N 3.41Å; W404-H406 VanDerWaalsContact O-N 3.11Å; H406-S413 PolarHBondContact CE1-O 2.73Å; H406-S413 PolarHBondContact ND1-O 2.95Å; H406-T414 CarbonylContact O-C 3.53Å; H406-T414 WeakPolarHBondContact O-CA 3.17Å; H406-L415 WeakPolarHBondContact CB-O 3.28Å; H406-L415 PolarHBondContact N-O 2.58Å; H406-L415 PolarHBondContact O-N 3.32Å; H406-C417 HydrophobicContact CB-CB 3.89Å; H406-C417 WeakPolarHBondContact CB-SG 3.4Å; H406-Y454 PolarHBondContact CE1-OH 3.49Å; H406-Y454 VanDerWaalsContact CE1-OH 3.26Å; H406-Y454 AromaticContact NE2-CZ 3.94Å; H406-Y454 PolarHBondContact NE2-OH 2.89Å; H406-G458 PolarHBondContact CD2-O 3.4Å; H406-G458 PolarHBondContact NE2-N 3.15Å; H406-G458 PolarHBondContact NE2-O 3.32Å; H406-G458 VanDerWaalsContact NE2-O 3.15Å
407	V	91.3	Very high	88.1	Confident	12 Å²	12	47.8 Å²	47.8	7%	0.073	29%	0.287	C	S	.	.			trans	-99.7	107.2	177.3	-176.2	0	0	0	0	109.9	V393 L396 C405 T414 R439 L465	V393-V407 HydrophobicContact CG2-CG1 3.61Å; V393-V407 HydrophobicContact CG2-CG2 4.12Å; L396-V407 HydrophobicContact CD2-CG2 4.16Å; C405-V407 PolarHBondContact O-N 3.32Å; V407-T414 HydrophobicContact CG1-CG2 4.47Å; V407-T414 HydrophobicContact CG2-CG2 4.39Å; V407-R439 PolarHBondContact O-NH1 3.27Å; V407-R439 PolarHBondContact O-NH2 2.03Å; V407-L465 HydrophobicContact CB-CD1 3.98Å; V407-L465 HydrophobicContact CG1-CD1 4.03Å; V407-L465 HydrophobicContact CG1-CD2 4.25Å; V407-L465 HydrophobicContact CG2-CD1 4.17Å
408	G	89.1	Confident	88.5	Confident	5 Å²	5	42.2 Å²	42.2	5%	0.052	26%	0.258	C	S	.	.			trans	-87	-151	179.5	0	0	0	0	0	113.8	S413 T414 L437 R439 G456	G408-S413 WeakPolarHBondContact CA-O 3.04Å; G408-S413 WeakPolarHBondContact CA-OG 3.32Å; G408-S413 PolarHBondContact N-O 3.39Å; G408-T414 PolarHBondContact N-OG1 2.86Å; G408-L437 WeakPolarHBondContact O-CD1 3.5Å; G408-R439 PolarHBondContact O-NH2 2.94Å; G408-G456 WeakPolarHBondContact CA-O 3.47Å
409	A	86.9	Confident	88.1	Confident	34 Å²	34	43.7 Å²	43.7	28%	0.281	26%	0.26	S	S	.	.	S	Bend	trans	-84.2	-25.9	176.4	0	0	0	0	0	113.9	S413 Y435 L437 G456	A409-S413 PolarHBondContact N-OG 2.76Å; A409-Y435 HydrophobicContact CB-CD1 3.64Å; A409-Y435 HydrophobicContact CB-CD2 3.25Å; A409-Y435 HydrophobicContact CB-CE1 3.8Å; A409-Y435 HydrophobicContact CB-CE2 3.38Å; A409-Y435 HydrophobicContact CB-CG 3.34Å; A409-L437 HydrophobicContact CB-CD1 3.83Å; A409-L437 HydrophobicContact CB-CD2 4.24Å; A409-L437 HydrophobicContact CB-CG 4.45Å; A409-G456 PolarHBondContact N-O 2.84Å
410	D	86.5	Confident	86.7	Confident	55 Å²	55	46.7 Å²	46.7	29%	0.294	29%	0.286	S	S	.	.	S	Bend	trans	-147.4	177	-172.5	53.1	41.8	0	0	0	110.5	Q412 S413 T414 Y435	D410-Q412 PolarHBondContact O-N 3.4Å; D410-Q412 PolarHBondContact OD1-N 3.31Å; D410-Q412 VanDerWaalsContact OD1-N 3.14Å; D410-S413 PolarHBondContact N-OG 2.79Å; D410-S413 PolarHBondContact O-N 3.47Å; D410-S413 PolarHBondContact O-OG 2.8Å; D410-S413 WeakPolarHBondContact OD1-CB 3.1Å; D410-S413 PolarHBondContact OD1-N 3.35Å; D410-S413 PolarHBondContact OD1-OG 2.92Å; D410-T414 WeakPolarHBondContact O-CB 3.44Å; D410-T414 PolarHBondContact O-N 2.91Å; D410-T414 VanDerWaalsContact O-N 3.11Å; D410-T414 PolarHBondContact O-OG1 2.82Å; D410-Y435 PolarHBondContact OD2-OH 2.58Å
411	E	81.2	Confident	85.4	Confident	177 Å²	177	47.3 Å²	47.3	83%	0.827	29%	0.286	S	S	*	.	S	Bend	trans	-61.9	-29.8	178.8	-65.9	-179.3	177	0	0	112.5	T414	E411-T414 PolarHBondContact O-N 2.83Å
412	Q	81	Confident	84.7	Confident	137 Å²	137	48 Å²	48	64%	0.64	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-29.3	-179	-64.5	173.3	1	0	0	112.1	D410 L415	D410-Q412 PolarHBondContact O-N 3.4Å; D410-Q412 PolarHBondContact OD1-N 3.31Å; D410-Q412 VanDerWaalsContact OD1-N 3.14Å; Q412-L415 WeakPolarHBondContact O-CD1 3.34Å
413	S	86.6	Confident	84.6	Confident	13 Å²	13	47 Å²	47	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	2.8	174.3	52.6	0	0	0	0	113.2	H406 G408 A409 D410	H406-S413 PolarHBondContact CE1-O 2.73Å; H406-S413 PolarHBondContact ND1-O 2.95Å; G408-S413 WeakPolarHBondContact CA-O 3.04Å; G408-S413 WeakPolarHBondContact CA-OG 3.32Å; G408-S413 PolarHBondContact N-O 3.39Å; A409-S413 PolarHBondContact N-OG 2.76Å; D410-S413 PolarHBondContact N-OG 2.79Å; D410-S413 PolarHBondContact O-N 3.47Å; D410-S413 PolarHBondContact O-OG 2.8Å; D410-S413 WeakPolarHBondContact OD1-CB 3.1Å; D410-S413 PolarHBondContact OD1-N 3.35Å; D410-S413 PolarHBondContact OD1-OG 2.92Å
414	T	91.2	Very high	84.2	Confident	14 Å²	14	44.8 Å²	44.8	9%	0.086	25%	0.253	C	S	.	.			trans	-103.4	87.4	178.6	-58.5	0	0	0	0	111.4	C391 H406 V407 G408 D410 E411	C391-T414 PolarHBondContact N-O 2.9Å; C391-T414 WeakPolarHBondContact O-CG2 3.03Å; H406-T414 CarbonylContact O-C 3.53Å; H406-T414 WeakPolarHBondContact O-CA 3.17Å; V407-T414 HydrophobicContact CG1-CG2 4.47Å; V407-T414 HydrophobicContact CG2-CG2 4.39Å; G408-T414 PolarHBondContact N-OG1 2.86Å; D410-T414 WeakPolarHBondContact O-CB 3.44Å; D410-T414 PolarHBondContact O-N 2.91Å; D410-T414 VanDerWaalsContact O-N 3.11Å; D410-T414 PolarHBondContact O-OG1 2.82Å; E411-T414 PolarHBondContact O-N 2.83Å
415	L	91.3	Very high	83.6	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	165.8	-166.8	-55	176.5	0	0	0	112.7	F371 P374 P380 I388 A390 C391 H406 Q412 C417	F371-L415 HydrophobicContact CE1-CD1 4.33Å; F371-L415 HydrophobicContact CE2-CD1 4.35Å; F371-L415 HydrophobicContact CZ-CD1 3.51Å; P374-L415 HydrophobicContact CG-CB 4.22Å; P374-L415 HydrophobicContact CG-CD1 3.45Å; P374-L415 VanDerWaalsContact CG-CD1 3.45Å; P374-L415 HydrophobicContact CG-CG 4.01Å; P380-L415 HydrophobicContact CB-CD1 4.35Å; P380-L415 HydrophobicContact CG-CD1 4.21Å; I388-L415 HydrophobicContact CG2-CD1 3.85Å; I388-L415 HydrophobicContact CG2-CD2 3.94Å; I388-L415 HydrophobicContact CG2-CG 4.41Å; A390-L415 HydrophobicContact CB-CD2 3.93Å; C391-L415 VanDerWaalsContact SG-C 3.55Å; H406-L415 WeakPolarHBondContact CB-O 3.28Å; H406-L415 PolarHBondContact N-O 2.58Å; H406-L415 PolarHBondContact O-N 3.32Å; Q412-L415 WeakPolarHBondContact O-CD1 3.34Å; L415-C417 PolarHBondContact O-N 3.36Å
416	C	93.4	Very high	83.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	110.5	172.5	-66.2	0	0	0	0	111.4	P380 A381 V389 C399 Y403 W404	P380-C416 CarbonylContact C-O 2.72Å; P380-C416 VanDerWaalsContact CA-O 3.31Å; P380-C416 WeakPolarHBondContact CA-O 3.37Å; A381-C416 HydrophobicContact CB-CB 3.83Å; A381-C416 PolarHBondContact N-O 3.17Å; V389-C416 HydrophobicContact CB-CB 4.41Å; V389-C416 HydrophobicContact CG1-CB 4.42Å; V389-C416 PolarHBondContact O-N 3.49Å; V389-C416 VanDerWaalsContact O-N 3.1Å; C399-C416 WeakPolarHBondContact CA-SG 3.11Å; C399-C416 HydrophobicContact CB-CB 3.77Å; C399-C416 WeakPolarHBondContact CB-SG 3.22Å; C399-C416 WeakPolarHBondContact SG-CA 3.32Å; C399-C416 WeakPolarHBondContact SG-CB 3.45Å; C399-C416 CovalentContact SG-SG 2.04Å; C399-C416 PolarHBondContact SG-SG 2.83Å; Y403-C416 HydrophobicContact CD1-CB 4.42Å; Y403-C416 WeakPolarHBondContact CD1-O 3.27Å; W404-C416 WeakPolarHBondContact O-CA 2.98Å
417	C	91.9	Very high	82.8	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.02	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.8	179.3	-70.8	0	0	0	0	112.3	C375 Y403 W404 H406 L415	C375-C417 WeakPolarHBondContact CA-SG 3.46Å; C375-C417 HydrophobicContact CB-CB 3.71Å; C375-C417 WeakPolarHBondContact CB-SG 3.14Å; C375-C417 WeakPolarHBondContact SG-CA 3.34Å; C375-C417 WeakPolarHBondContact SG-CB 3.4Å; C375-C417 CovalentContact SG-SG 2.04Å; C375-C417 PolarHBondContact SG-SG 3.1Å; Y403-C417 CarbonylContact C-O 3.59Å; Y403-C417 WeakPolarHBondContact CA-O 3.45Å; Y403-C417 WeakPolarHBondContact CB-O 3.48Å; W404-C417 PolarHBondContact N-O 3.48Å; W404-C417 PolarHBondContact O-N 2.95Å; H406-C417 HydrophobicContact CB-CB 3.89Å; H406-C417 WeakPolarHBondContact CB-SG 3.4Å; L415-C417 PolarHBondContact O-N 3.36Å
418	P	89.5	Confident	82.5	Confident	35 Å²	35	56.5 Å²	56.5	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	155.3	179.2	29.9	-37.9	0	0	0	111.6	N377 Y403 W404	N377-P418 WeakPolarHBondContact O-CG 3.37Å; Y403-P418 HydrophobicContact CD1-CB 4.25Å; Y403-P418 VanDerWaalsContact CD1-N 3.32Å; Y403-P418 HydrophobicContact CE1-CB 3.99Å; Y403-P418 HydrophobicContact CE1-CG 4.35Å; W404-P418 PolarHBondContact NE1-O 3.49Å
419	H	76.6	Confident	82.5	Confident	82 Å²	82	59.6 Å²	59.6	38%	0.38	34%	0.336	S	S	.	.			trans	-122	141.9	-176.3	175.2	76.1	0	0	0	113.1	G402 D421 R461	G402-H419 PolarHBondContact O-N 3.02Å; G402-H419 VanDerWaalsContact O-N 3.07Å; H419-D421 PolarHBondContact CE1-O 2.85Å; H419-D421 PolarHBondContact NE2-O 2.77Å; H419-R461 VanDerWaalsContact ND1-CD 3.25Å; H419-R461 WeakPolarHBondContact ND1-CD 3.48Å
420	A	62.4	Low	82.5	Confident	84 Å²	84	62.2 Å²	62.2	69%	0.694	35%	0.345	S	S	*	.			trans	-128.7	-24.2	168.4	0	0	0	0	0	114.9
421	D	61.3	Low	82.5	Confident	72 Å²	72	60.8 Å²	60.8	39%	0.385	34%	0.343	S	S	.	.	S	Bend	trans	-117.3	140.5	-159	-56.6	-52.9	0	0	0	116.1	H419 V423 A426	H419-D421 PolarHBondContact CE1-O 2.85Å; H419-D421 PolarHBondContact NE2-O 2.77Å; D421-V423 PolarHBondContact O-N 2.84Å; D421-A426 HydrophobicContact CB-CB 4.21Å
422	T	69.5	Low	82.5	Confident	98 Å²	98	59.6 Å²	59.6	60%	0.601	34%	0.338	S	S	*	.			trans	-61.2	121.3	171.6	42	0	0	0	0	112.8	C424 M425 A426	T422-C424 PolarHBondContact O-N 3.26Å; T422-M425 PolarHBondContact O-N 2.8Å; T422-A426 PolarHBondContact O-N 2.85Å
423	V	83.1	Confident	82.6	Confident	34 Å²	34	55.6 Å²	55.6	21%	0.206	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-47.2	-65.5	-170.3	-173.4	0	0	0	0	114.2	D421 M425 A426 R461 N462 F464	D421-V423 PolarHBondContact O-N 2.84Å; V423-M425 PolarHBondContact O-N 3.32Å; V423-M425 VanDerWaalsContact O-N 3.09Å; V423-A426 PolarHBondContact O-N 3.37Å; V423-R461 HydrophobicContact CB-CB 4.31Å; V423-R461 HydrophobicContact CG1-CB 3.97Å; V423-R461 WeakPolarHBondContact CG1-O 3.5Å; V423-R461 HydrophobicContact CG2-CB 3.9Å; V423-N462 WeakPolarHBondContact O-CB 3.16Å; V423-F464 HydrophobicContact CG1-CE1 4.08Å; V423-F464 HydrophobicContact CG1-CE2 4.42Å; V423-F464 HydrophobicContact CG1-CZ 3.52Å
424	C	82.8	Confident	82.2	Confident	38 Å²	38	64.1 Å²	64.1	26%	0.257	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-72.2	-0.8	-176.1	-52.5	0	0	0	0	113.9	T422 Y442 A473 C474	T422-C424 PolarHBondContact O-N 3.26Å; C424-Y442 HydrophobicContact CB-CD1 3.67Å; C424-Y442 HydrophobicContact CB-CE1 4.07Å; C424-Y442 HydrophobicContact CB-CG 4.35Å; C424-Y442 VanDerWaalsContact O-CD1 3.3Å; C424-Y442 WeakPolarHBondContact O-CD1 3.33Å; C424-A473 PolarHBondContact SG-O 3.45Å; C424-C474 HydrophobicContact CB-CB 4.19Å; C424-C474 WeakPolarHBondContact CB-SG 3.28Å; C424-C474 WeakPolarHBondContact SG-CB 3.43Å; C424-C474 CovalentContact SG-SG 2.07Å; C424-C474 PolarHBondContact SG-SG 2.77Å
425	M	76.9	Confident	81.8	Confident	151 Å²	151	69.1 Å²	69.1	74%	0.744	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-111.8	-12.6	177.7	-68.1	-173.6	138.6	0	0	112.8	T422 V423	T422-M425 PolarHBondContact O-N 2.8Å; V423-M425 PolarHBondContact O-N 3.32Å; V423-M425 VanDerWaalsContact O-N 3.09Å
426	A	82	Confident	81.6	Confident	8 Å²	8	71.6 Å²	71.6	7%	0.066	40%	0.404	C	S	.	.	S	Bend	trans	-65.4	143.4	176.5	0	0	0	0	0	110.2	D421 T422 V423 N460 N462	D421-A426 HydrophobicContact CB-CB 4.21Å; T422-A426 PolarHBondContact O-N 2.85Å; V423-A426 PolarHBondContact O-N 3.37Å; A426-N460 HydrophobicContact CB-CB 4.34Å; A426-N460 WeakPolarHBondContact CB-OD1 3.48Å; A426-N462 HydrophobicContact CB-CB 4.14Å; A426-N462 PolarHBondContact O-ND2 3.48Å
427	P	83.6	Confident	81.3	Confident	84 Å²	84	73.3 Å²	73.3	55%	0.545	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-62.6	153.9	176	27.9	-34	0	0	0	110.3	E429 N460	P427-E429 PolarHBondContact O-N 2.79Å; P427-N460 PolarHBondContact O-ND2 3.24Å; P427-N460 PolarHBondContact O-OD1 3.44Å
428	V	85.6	Confident	81.1	Confident	55 Å²	55	78.2 Å²	78.2	33%	0.333	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-67.7	131.9	167.8	61.7	0	0	0	0	108.8	Y441 F452	V428-Y441 HydrophobicContact CB-CD1 4.16Å; V428-Y441 HydrophobicContact CB-CD2 3.58Å; V428-Y441 HydrophobicContact CB-CE1 4.34Å; V428-Y441 HydrophobicContact CB-CE2 3.78Å; V428-Y441 HydrophobicContact CB-CG 3.75Å; V428-Y441 HydrophobicContact CG1-CD2 4.28Å; V428-Y441 HydrophobicContact CG1-CE2 3.95Å; V428-Y441 HydrophobicContact CG2-CD1 3.72Å; V428-Y441 HydrophobicContact CG2-CD2 4.05Å; V428-Y441 HydrophobicContact CG2-CE1 4.11Å; V428-Y441 HydrophobicContact CG2-CE2 4.39Å; V428-Y441 HydrophobicContact CG2-CG 3.66Å; V428-F452 HydrophobicContact CG2-CB 3.95Å; V428-F452 HydrophobicContact CG2-CD1 4.13Å; V428-F452 HydrophobicContact CG2-CD2 3.37Å; V428-F452 HydrophobicContact CG2-CE1 4.49Å; V428-F452 HydrophobicContact CG2-CE2 3.82Å; V428-F452 HydrophobicContact CG2-CG 3.54Å; V428-F452 HydrophobicContact CG2-CZ 4.35Å
429	E	89.1	Confident	81.3	Confident	71 Å²	71	77.2 Å²	77.2	33%	0.332	44%	0.437	S	S	.	.			trans	-127.1	116.9	175.6	-76.7	178.1	-158	0	0	108.6	P427 G431 F452 G459 N460	P427-E429 PolarHBondContact O-N 2.79Å; E429-G431 PolarHBondContact O-N 2.86Å; E429-F452 WeakPolarHBondContact O-CE2 3.18Å; E429-G459 VanDerWaalsContact OE2-CA 3.23Å; E429-G459 WeakPolarHBondContact OE2-CA 3.22Å; E429-N460 VanDerWaalsContact CD-ND2 3.28Å; E429-N460 PolarHBondContact OE1-ND2 3.37Å
430	D	87.2	Confident	81.9	Confident	88 Å²	88	76.3 Å²	76.3	47%	0.471	43%	0.43	S	S	.	.			trans	-62.2	-12.3	177.6	-66	-14.5	0	0	0	112.1	Y454 S455	D430-Y454 CarbonylContact O-C 3.59Å; D430-S455 WeakPolarHBondContact O-CB 3.34Å; D430-S455 PolarHBondContact O-N 3.11Å; D430-S455 PolarHBondContact O-OG 3.47Å
431	G	87.4	Confident	83.3	Confident	25 Å²	25	74.3 Å²	74.3	26%	0.258	41%	0.405	S	S	.	.			trans	71.2	-169.1	-175.8	0	0	0	0	0	112.6	E429 S457	E429-G431 PolarHBondContact O-N 2.86Å; G431-S457 CarbonylContact C-O 3.37Å; G431-S457 WeakPolarHBondContact CA-O 3.34Å
432	E	81	Confident	84.3	Confident	153 Å²	153	72.2 Å²	72.2	72%	0.715	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-116.9	155.4	174.3	-62.1	-175.5	174.5	0	0	109.2	S455 S457	E432-S455 CarbonylContact O-C 3.46Å; E432-S455 VanDerWaalsContact O-CB 3.22Å; E432-S455 WeakPolarHBondContact O-CB 3.3Å; E432-S457 PolarHBondContact N-O 3.49Å; E432-S457 PolarHBondContact O-N 2.03Å; E432-S457 VanDerWaalsContact O-N 3.15Å; E432-S457 VanDerWaalsContact O-O 3.07Å; E432-S457 PolarHBondContact O-OG 2.95Å
433	G	81.4	Confident	84.9	Confident	52 Å²	52	69.2 Å²	69.2	54%	0.536	37%	0.372	S	S	.	.	S	Bend	trans	126.8	-174.5	178.6	0	0	0	0	0	113.7
434	K	79.9	Confident	84.2	Confident	193 Å²	193	70.5 Å²	70.5	84%	0.839	38%	0.383	S	S	*	.	S	Bend	trans	-110.3	-3.3	-178.5	-62.7	-177.2	-178.7	178.4	0	112.9
435	Y	83	Confident	83.1	Confident	119 Å²	119	76 Å²	76	47%	0.467	41%	0.409	S	S	.	.			trans	-78.2	160.8	-179.7	-58.6	-78.7	0	0	0	109.8	A409 D410 S455	A409-Y435 HydrophobicContact CB-CD1 3.64Å; A409-Y435 HydrophobicContact CB-CD2 3.25Å; A409-Y435 HydrophobicContact CB-CE1 3.8Å; A409-Y435 HydrophobicContact CB-CE2 3.38Å; A409-Y435 HydrophobicContact CB-CG 3.34Å; D410-Y435 PolarHBondContact OD2-OH 2.58Å; Y435-S455 WeakPolarHBondContact CB-O 3.44Å; Y435-S455 PolarHBondContact N-O 2.79Å; Y435-S455 WeakPolarHBondContact O-CA 3.46Å
436	S	86.1	Confident	82.7	Confident	58 Å²	58	71.9 Å²	71.9	41%	0.406	39%	0.392	S	S	.	.			trans	-132.5	68.7	179.5	172.2	0	0	0	0	106.9	T453 A588	S436-T453 VanDerWaalsContact OG-CG2 3.23Å; S436-T453 WeakPolarHBondContact OG-CG2 3.16Å; S436-A588 VanDerWaalsContact OG-CA 3.25Å; S436-A588 WeakPolarHBondContact OG-CA 3.14Å; S436-A588 WeakPolarHBondContact OG-CB 3.19Å; S436-A588 PolarHBondContact OG-O 3.34Å
437	L	87	Confident	81.8	Confident	36 Å²	36	76.9 Å²	76.9	19%	0.188	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.6	-173.7	-54.5	177.1	0	0	0	109	G408 A409 R439 Y454	G408-L437 WeakPolarHBondContact O-CD1 3.5Å; A409-L437 HydrophobicContact CB-CD1 3.83Å; A409-L437 HydrophobicContact CB-CD2 4.24Å; A409-L437 HydrophobicContact CB-CG 4.45Å; L437-R439 HydrophobicContact CB-CG 4.46Å; L437-R439 PolarHBondContact O-N 3.5Å; L437-Y454 WeakPolarHBondContact CB-O 3.47Å; L437-Y454 HydrophobicContact CD1-CD1 4.04Å; L437-Y454 PolarHBondContact N-O 3.01Å; L437-Y454 PolarHBondContact O-N 2.82Å
438	P	88.3	Confident	81.2	Confident	106 Å²	106	75.8 Å²	75.8	69%	0.688	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	123.2	173.5	27.1	-31.9	0	0	0	108.8
439	R	92.9	Very high	81	Confident	15 Å²	15	74 Å²	74	6%	0.057	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	168.2	178.1	-64.9	-67	179	82.9	-0.2	108.8	V407 G408 L437 P451 F452 Y454 N463 F464	V407-R439 PolarHBondContact O-NH1 3.27Å; V407-R439 PolarHBondContact O-NH2 2.03Å; G408-R439 PolarHBondContact O-NH2 2.94Å; L437-R439 HydrophobicContact CB-CG 4.46Å; L437-R439 PolarHBondContact O-N 3.5Å; R439-P451 CarbonylContact O-C 3.56Å; R439-P451 VanDerWaalsContact O-CA 3.25Å; R439-P451 WeakPolarHBondContact O-CA 3.47Å; R439-F452 HydrophobicContact CB-CD1 3.93Å; R439-F452 HydrophobicContact CB-CE1 3.4Å; R439-F452 HydrophobicContact CB-CZ 3.81Å; R439-F452 PolarHBondContact N-O 2.93Å; R439-F452 PolarHBondContact O-N 3.24Å; R439-Y454 HydrophobicContact CG-CD1 4.26Å; R439-Y454 HydrophobicContact CG-CG 4.23Å; R439-Y454 VanDerWaalsContact NH1-CD1 3.33Å; R439-N463 VanDerWaalsContact CB-OD1 3.31Å; R439-N463 WeakPolarHBondContact CB-OD1 3.26Å; R439-N463 WeakPolarHBondContact CD-OD1 3.33Å; R439-N463 WeakPolarHBondContact CG-OD1 3.47Å; R439-N463 PolarHBondContact NH1-ND2 2.86Å; R439-N463 PolarHBondContact NH1-OD1 2.87Å; R439-F464 CarbonylContact C-O 3.5Å; R439-F464 VanDerWaalsContact CA-O 3.27Å; R439-F464 WeakPolarHBondContact CA-O 3.35Å; R439-F464 WeakPolarHBondContact CB-O 3.22Å; R439-F464 WeakPolarHBondContact CD-O 3.27Å
440	Y	89.7	Confident	80.6	Confident	63 Å²	63	72.1 Å²	72.1	25%	0.247	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.4	174.8	-67.4	-96.1	0	0	0	109.1	L450 P451 F452 F464 L467	Y440-L450 CarbonylContact C-O 3.45Å; Y440-L450 WeakPolarHBondContact CA-O 3.1Å; Y440-P451 HydrophobicContact CD1-CB 4.18Å; Y440-P451 HydrophobicContact CE1-CB 3.93Å; Y440-F452 WeakPolarHBondContact O-CE1 3.31Å; Y440-F464 PolarHBondContact N-O 2.97Å; Y440-F464 WeakPolarHBondContact O-CB 3.17Å; Y440-F464 VanDerWaalsContact O-CD2 3.25Å; Y440-F464 WeakPolarHBondContact O-CD2 3.07Å; Y440-F464 PolarHBondContact O-N 2.92Å; Y440-L467 HydrophobicContact CD1-CB 3.89Å; Y440-L467 HydrophobicContact CD1-CD1 3.7Å; Y440-L467 HydrophobicContact CD1-CG 4.37Å; Y440-L467 HydrophobicContact CD2-CB 4.3Å; Y440-L467 HydrophobicContact CE1-CB 3.61Å; Y440-L467 HydrophobicContact CE1-CD1 3.85Å; Y440-L467 HydrophobicContact CE1-CD2 4.48Å; Y440-L467 HydrophobicContact CE1-CG 4.18Å; Y440-L467 HydrophobicContact CE2-CB 4.05Å; Y440-L467 VanDerWaalsContact CE2-N 3.27Å; Y440-L467 HydrophobicContact CG-CB 4.22Å; Y440-L467 HydrophobicContact CG-CD1 4.49Å
441	Y	91.3	Very high	80.6	Confident	41 Å²	41	70.9 Å²	70.9	16%	0.161	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.9	170.9	81	-79.2	0	0	0	109.1	V428 N443 C449 L450 F452 N462	V428-Y441 HydrophobicContact CB-CD1 4.16Å; V428-Y441 HydrophobicContact CB-CD2 3.58Å; V428-Y441 HydrophobicContact CB-CE1 4.34Å; V428-Y441 HydrophobicContact CB-CE2 3.78Å; V428-Y441 HydrophobicContact CB-CG 3.75Å; V428-Y441 HydrophobicContact CG1-CD2 4.28Å; V428-Y441 HydrophobicContact CG1-CE2 3.95Å; V428-Y441 HydrophobicContact CG2-CD1 3.72Å; V428-Y441 HydrophobicContact CG2-CD2 4.05Å; V428-Y441 HydrophobicContact CG2-CE1 4.11Å; V428-Y441 HydrophobicContact CG2-CE2 4.39Å; V428-Y441 HydrophobicContact CG2-CG 3.66Å; Y441-N443 HydrophobicContact CE2-CB 3.88Å; Y441-C449 CarbonylContact O-C 3.4Å; Y441-C449 WeakPolarHBondContact O-CA 3.37Å; Y441-L450 HydrophobicContact CD1-CB 4.11Å; Y441-L450 WeakPolarHBondContact CD1-O 3.3Å; Y441-L450 HydrophobicContact CE1-CB 3.57Å; Y441-L450 HydrophobicContact CE1-CD1 4.47Å; Y441-L450 PolarHBondContact N-O 3.25Å; Y441-L450 PolarHBondContact O-N 3.32Å; Y441-F452 HydrophobicContact CD1-CB 3.74Å; Y441-F452 AromaticContact CD1-CD1 3.7Å; Y441-F452 HydrophobicContact CD1-CD1 3.7Å; Y441-F452 AromaticContact CD1-CG 3.92Å; Y441-F452 HydrophobicContact CD1-CG 3.92Å; Y441-F452 HydrophobicContact CE1-CB 4.06Å; Y441-F452 HydrophobicContact CG-CD1 4.16Å; Y441-N462 WeakPolarHBondContact CB-O 3.44Å
442	Y	83.4	Confident	80.7	Confident	29 Å²	29	70.2 Å²	70.2	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.9	174.5	179.1	-104.1	0	0	0	110.6	C424 S444 K447 N462 C474	C424-Y442 HydrophobicContact CB-CD1 3.67Å; C424-Y442 HydrophobicContact CB-CE1 4.07Å; C424-Y442 HydrophobicContact CB-CG 4.35Å; C424-Y442 VanDerWaalsContact O-CD1 3.3Å; C424-Y442 WeakPolarHBondContact O-CD1 3.33Å; Y442-S444 PolarHBondContact O-N 3.5Å; Y442-K447 WeakPolarHBondContact OH-CD 3.02Å; Y442-N462 PolarHBondContact N-OD1 3.03Å; Y442-N462 PolarHBondContact O-ND2 2.84Å; Y442-C474 HydrophobicContact CD1-CB 3.92Å; Y442-C474 HydrophobicContact CD2-CB 3.17Å; Y442-C474 WeakPolarHBondContact CD2-O 3.02Å; Y442-C474 HydrophobicContact CE1-CB 4.24Å; Y442-C474 HydrophobicContact CE2-CB 3.59Å; Y442-C474 WeakPolarHBondContact CE2-O 3.44Å; Y442-C474 HydrophobicContact CG-CB 3.32Å
443	N	80.8	Confident	80.9	Confident	35 Å²	35	63.6 Å²	63.6	19%	0.187	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.3	170.7	-175.9	-31.9	0	0	0	109.4	Y441 L445 T446 K447 Q448 L450	Y441-N443 HydrophobicContact CE2-CB 3.88Å; N443-L445 PolarHBondContact O-N 3.38Å; N443-L445 VanDerWaalsContact O-N 3.17Å; N443-L445 WeakPolarHBondContact OD1-CB 3.45Å; N443-L445 PolarHBondContact OD1-N 2.7Å; N443-T446 VanDerWaalsContact CB-OG1 3.31Å; N443-T446 WeakPolarHBondContact CB-OG1 3.28Å; N443-T446 VanDerWaalsContact CG-OG1 3.26Å; N443-T446 PolarHBondContact O-N 3.49Å; N443-T446 PolarHBondContact OD1-N 3.5Å; N443-T446 VanDerWaalsContact OD1-N 3.17Å; N443-K447 WeakPolarHBondContact O-CA 3.43Å; N443-K447 PolarHBondContact O-N 2.96Å; N443-Q448 PolarHBondContact N-O 2.79Å; N443-L450 HydrophobicContact CB-CD1 3.79Å; N443-L450 HydrophobicContact CB-CG 4.28Å
444	S	69.7	Low	81.5	Confident	61 Å²	61	61.1 Å²	61.1	43%	0.427	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	-176.3	68.9	0	0	0	0	114.4	Y442 K447	Y442-S444 PolarHBondContact O-N 3.5Å; S444-K447 WeakPolarHBondContact O-CD 3.45Å; S444-K447 VanDerWaalsContact O-CE 3.3Å; S444-K447 WeakPolarHBondContact O-CE 3.44Å; S444-K447 PolarHBondContact O-NZ 3.3Å
445	L	59.4	Low	81.9	Confident	154 Å²	154	53.1 Å²	53.1	81%	0.806	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-48.3	177.8	-176	67.3	0	0	0	111.7	N443 K447	N443-L445 PolarHBondContact O-N 3.38Å; N443-L445 VanDerWaalsContact O-N 3.17Å; N443-L445 WeakPolarHBondContact OD1-CB 3.45Å; N443-L445 PolarHBondContact OD1-N 2.7Å; L445-K447 VanDerWaalsContact C-N 3.35Å
446	T	67.2	Low	82.2	Confident	63 Å²	63	47.5 Å²	47.5	39%	0.387	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.7	-179.7	61.8	0	0	0	0	113.3	N443 Q448	N443-T446 VanDerWaalsContact CB-OG1 3.31Å; N443-T446 WeakPolarHBondContact CB-OG1 3.28Å; N443-T446 VanDerWaalsContact CG-OG1 3.26Å; N443-T446 PolarHBondContact O-N 3.49Å; N443-T446 PolarHBondContact OD1-N 3.5Å; N443-T446 VanDerWaalsContact OD1-N 3.17Å; T446-Q448 PolarHBondContact O-N 3.17Å
447	K	64.3	Low	82.4	Confident	113 Å²	113	46 Å²	46	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	36.9	-174.5	-52.4	-61	-177.5	-162	0	112.1	Y442 N443 S444 L445 G476	Y442-K447 WeakPolarHBondContact OH-CD 3.02Å; N443-K447 WeakPolarHBondContact O-CA 3.43Å; N443-K447 PolarHBondContact O-N 2.96Å; S444-K447 WeakPolarHBondContact O-CD 3.45Å; S444-K447 VanDerWaalsContact O-CE 3.3Å; S444-K447 WeakPolarHBondContact O-CE 3.44Å; S444-K447 PolarHBondContact O-NZ 3.3Å; L445-K447 VanDerWaalsContact C-N 3.35Å; K447-G476 WeakPolarHBondContact O-CA 3.32Å
448	Q	70.7	Confident	82.4	Confident	62 Å²	62	44.6 Å²	44.6	29%	0.29	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	-177.8	-70.1	170.5	-21.1	0	0	110	N443 T446 L450 P516	N443-Q448 PolarHBondContact N-O 2.79Å; T446-Q448 PolarHBondContact O-N 3.17Å; Q448-L450 HydrophobicContact CB-CD2 3.89Å; Q448-L450 HydrophobicContact CB-CG 4.15Å; Q448-L450 PolarHBondContact O-N 2.81Å; Q448-P516 VanDerWaalsContact NE2-CB 3.26Å
449	C	81	Confident	82.3	Confident	17 Å²	17	40 Å²	40	12%	0.115	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.8	162.2	-78.3	0	0	0	0	108.4	Y441 L467 C470 E471 C474	Y441-C449 CarbonylContact O-C 3.4Å; Y441-C449 WeakPolarHBondContact O-CA 3.37Å; C449-L467 HydrophobicContact CB-CD1 3.53Å; C449-C470 HydrophobicContact CB-CB 3.69Å; C449-C470 WeakPolarHBondContact CB-SG 3.49Å; C449-C470 WeakPolarHBondContact SG-CB 3.17Å; C449-C470 PolarHBondContact SG-O 2.7Å; C449-C470 VanDerWaalsContact SG-O 3.35Å; C449-C470 CovalentContact SG-SG 2.03Å; C449-C470 PolarHBondContact SG-SG 3.35Å; C449-E471 HydrophobicContact CB-CG 4.18Å; C449-E471 PolarHBondContact SG-N 3.26Å; C449-E471 VanDerWaalsContact SG-N 3.43Å; C449-C474 PolarHBondContact SG-O 2.78Å
450	L	80.7	Confident	82.1	Confident	31 Å²	31	39.8 Å²	39.8	16%	0.162	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.7	-178.4	-62.4	178.6	0	0	0	108.9	Y440 Y441 N443 Q448	Y440-L450 CarbonylContact C-O 3.45Å; Y440-L450 WeakPolarHBondContact CA-O 3.1Å; Y441-L450 HydrophobicContact CD1-CB 4.11Å; Y441-L450 WeakPolarHBondContact CD1-O 3.3Å; Y441-L450 HydrophobicContact CE1-CB 3.57Å; Y441-L450 HydrophobicContact CE1-CD1 4.47Å; Y441-L450 PolarHBondContact N-O 3.25Å; Y441-L450 PolarHBondContact O-N 3.32Å; N443-L450 HydrophobicContact CB-CD1 3.79Å; N443-L450 HydrophobicContact CB-CG 4.28Å; Q448-L450 HydrophobicContact CB-CD2 3.89Å; Q448-L450 HydrophobicContact CB-CG 4.15Å; Q448-L450 PolarHBondContact O-N 2.81Å
451	P	86.8	Confident	82	Confident	63 Å²	63	41.2 Å²	41.2	41%	0.409	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142.9	171.1	29.6	-33.3	0	0	0	109.3	R439 Y440	R439-P451 CarbonylContact O-C 3.56Å; R439-P451 VanDerWaalsContact O-CA 3.25Å; R439-P451 WeakPolarHBondContact O-CA 3.47Å; Y440-P451 HydrophobicContact CD1-CB 4.18Å; Y440-P451 HydrophobicContact CE1-CB 3.93Å
452	F	89.8	Confident	82	Confident	11 Å²	11	39.4 Å²	39.4	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	169.2	166.3	78.2	-67.6	0	0	0	108.9	V428 E429 R439 Y440 Y441 Y454 N463	V428-F452 HydrophobicContact CG2-CB 3.95Å; V428-F452 HydrophobicContact CG2-CD1 4.13Å; V428-F452 HydrophobicContact CG2-CD2 3.37Å; V428-F452 HydrophobicContact CG2-CE1 4.49Å; V428-F452 HydrophobicContact CG2-CE2 3.82Å; V428-F452 HydrophobicContact CG2-CG 3.54Å; V428-F452 HydrophobicContact CG2-CZ 4.35Å; E429-F452 WeakPolarHBondContact O-CE2 3.18Å; R439-F452 HydrophobicContact CB-CD1 3.93Å; R439-F452 HydrophobicContact CB-CE1 3.4Å; R439-F452 HydrophobicContact CB-CZ 3.81Å; R439-F452 PolarHBondContact N-O 2.93Å; R439-F452 PolarHBondContact O-N 3.24Å; Y440-F452 WeakPolarHBondContact O-CE1 3.31Å; Y441-F452 HydrophobicContact CD1-CB 3.74Å; Y441-F452 AromaticContact CD1-CD1 3.7Å; Y441-F452 HydrophobicContact CD1-CD1 3.7Å; Y441-F452 AromaticContact CD1-CG 3.92Å; Y441-F452 HydrophobicContact CD1-CG 3.92Å; Y441-F452 HydrophobicContact CE1-CB 4.06Å; Y441-F452 HydrophobicContact CG-CD1 4.16Å; F452-Y454 HydrophobicContact CE2-CD2 4.33Å; F452-N463 HydrophobicContact CE1-CB 4.35Å; F452-N463 HydrophobicContact CZ-CB 3.8Å
453	T	86.4	Confident	82.4	Confident	14 Å²	14	38.8 Å²	38.8	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.6	-179.5	-45.9	0	0	0	0	110.3	S436 A588 H589	S436-T453 VanDerWaalsContact OG-CG2 3.23Å; S436-T453 WeakPolarHBondContact OG-CG2 3.16Å; T453-A588 HydrophobicContact CG2-CB 3.27Å; T453-H589 PolarHBondContact OG1-CD2 2.83Å; T453-H589 PolarHBondContact OG1-NE2 3.06Å
454	Y	92.5	Very high	82.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.6	-178.3	178.5	-118.2	0	0	0	111.1	H406 D430 L437 R439 F452 G456 S457 G458 N463	H406-Y454 PolarHBondContact CE1-OH 3.49Å; H406-Y454 VanDerWaalsContact CE1-OH 3.26Å; H406-Y454 AromaticContact NE2-CZ 3.94Å; H406-Y454 PolarHBondContact NE2-OH 2.89Å; D430-Y454 CarbonylContact O-C 3.59Å; L437-Y454 WeakPolarHBondContact CB-O 3.47Å; L437-Y454 HydrophobicContact CD1-CD1 4.04Å; L437-Y454 PolarHBondContact N-O 3.01Å; L437-Y454 PolarHBondContact O-N 2.82Å; R439-Y454 HydrophobicContact CG-CD1 4.26Å; R439-Y454 HydrophobicContact CG-CG 4.23Å; R439-Y454 VanDerWaalsContact NH1-CD1 3.33Å; F452-Y454 HydrophobicContact CE2-CD2 4.33Å; Y454-G456 PolarHBondContact O-N 2.04Å; Y454-S457 VanDerWaalsContact OH-CA 3.24Å; Y454-S457 WeakPolarHBondContact OH-CA 3.38Å; Y454-S457 PolarHBondContact OH-N 3.41Å; Y454-S457 PolarHBondContact OH-O 3.3Å; Y454-G458 WeakPolarHBondContact CE2-O 3.29Å; Y454-G458 PolarHBondContact OH-N 3.01Å; Y454-G458 PolarHBondContact OH-O 2.78Å; Y454-N463 VanDerWaalsContact CD1-ND2 3.34Å; Y454-N463 WeakPolarHBondContact CD1-ND2 3.27Å; Y454-N463 WeakPolarHBondContact CD2-ND2 3.31Å; Y454-N463 WeakPolarHBondContact CE1-ND2 3.27Å; Y454-N463 VanDerWaalsContact CE2-ND2 3.31Å; Y454-N463 WeakPolarHBondContact CE2-ND2 3.35Å
455	S	89.8	Confident	83.7	Confident	24 Å²	24	38.6 Å²	38.6	17%	0.168	20%	0.204	C	C	.	.			trans	-78.4	-3.1	-169.4	-57.5	0	0	0	0	114.2	D430 E432 Y435	D430-S455 WeakPolarHBondContact O-CB 3.34Å; D430-S455 PolarHBondContact O-N 3.11Å; D430-S455 PolarHBondContact O-OG 3.47Å; E432-S455 CarbonylContact O-C 3.46Å; E432-S455 VanDerWaalsContact O-CB 3.22Å; E432-S455 WeakPolarHBondContact O-CB 3.3Å; Y435-S455 WeakPolarHBondContact CB-O 3.44Å; Y435-S455 PolarHBondContact N-O 2.79Å; Y435-S455 WeakPolarHBondContact O-CA 3.46Å
456	G	87.7	Confident	85	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	95.4	-11.8	174.2	0	0	0	0	0	115.4	G408 A409 Y454	G408-G456 WeakPolarHBondContact CA-O 3.47Å; A409-G456 PolarHBondContact N-O 2.84Å; Y454-G456 PolarHBondContact O-N 2.04Å
457	S	90.5	Very high	85.6	Confident	26 Å²	26	33.2 Å²	33.2	18%	0.182	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-142.1	157.2	171.5	45.2	0	0	0	0	111.6	G431 E432 Y454	G431-S457 CarbonylContact C-O 3.37Å; G431-S457 WeakPolarHBondContact CA-O 3.34Å; E432-S457 PolarHBondContact N-O 3.49Å; E432-S457 PolarHBondContact O-N 2.03Å; E432-S457 VanDerWaalsContact O-N 3.15Å; E432-S457 VanDerWaalsContact O-O 3.07Å; E432-S457 PolarHBondContact O-OG 2.95Å; Y454-S457 VanDerWaalsContact OH-CA 3.24Å; Y454-S457 WeakPolarHBondContact OH-CA 3.38Å; Y454-S457 PolarHBondContact OH-N 3.41Å; Y454-S457 PolarHBondContact OH-O 3.3Å
458	G	87.9	Confident	86.3	Confident	8 Å²	8	29.5 Å²	29.5	8%	0.082	17%	0.171	C	C	.	.			trans	76.6	-150.7	-179.5	0	0	0	0	0	112.9	P374 H406 Y454	P374-G458 WeakPolarHBondContact O-CA 3.48Å; P374-G458 PolarHBondContact O-N 2.71Å; H406-G458 PolarHBondContact CD2-O 3.4Å; H406-G458 PolarHBondContact NE2-N 3.15Å; H406-G458 PolarHBondContact NE2-O 3.32Å; H406-G458 VanDerWaalsContact NE2-O 3.15Å; Y454-G458 WeakPolarHBondContact CE2-O 3.29Å; Y454-G458 PolarHBondContact OH-N 3.01Å; Y454-G458 PolarHBondContact OH-O 2.78Å
459	G	86.3	Confident	87	Confident	8 Å²	8	30.6 Å²	30.6	8%	0.082	18%	0.179	C	C	.	.			trans	72.5	-176	-177.6	0	0	0	0	0	114.4	A376 E429	A376-G459 WeakPolarHBondContact CB-O 3.17Å; E429-G459 VanDerWaalsContact OE2-CA 3.23Å; E429-G459 WeakPolarHBondContact OE2-CA 3.22Å
460	N	87.7	Confident	87.2	Confident	11 Å²	11	29.8 Å²	29.8	6%	0.059	17%	0.173	C	C	.	.			trans	-120.9	-171.7	178.7	63.8	55.6	0	0	0	111.4	A426 P427 E429 N462 N463	A426-N460 HydrophobicContact CB-CB 4.34Å; A426-N460 WeakPolarHBondContact CB-OD1 3.48Å; P427-N460 PolarHBondContact O-ND2 3.24Å; P427-N460 PolarHBondContact O-OD1 3.44Å; E429-N460 VanDerWaalsContact CD-ND2 3.28Å; E429-N460 PolarHBondContact OE1-ND2 3.37Å; N460-N462 VanDerWaalsContact C-N 3.3Å; N460-N462 PolarHBondContact O-N 3.25Å; N460-N462 WeakPolarHBondContact OD1-CB 3.28Å; N460-N462 PolarHBondContact OD1-N 3.08Å; N460-N463 WeakPolarHBondContact O-CB 3.39Å
461	R	88.7	Confident	87.1	Confident	94 Å²	94	32.7 Å²	32.7	36%	0.355	19%	0.186	S	C	.	.	S	Bend	trans	-76.4	-10.4	-174	-65.2	-173.8	75	-165.5	5.1	114.5	W404 H419 V423 N463	W404-R461 HydrophobicContact CD2-CG 3.43Å; W404-R461 VanDerWaalsContact CD2-CG 3.43Å; W404-R461 HydrophobicContact CE3-CG 3.66Å; W404-R461 HydrophobicContact CG-CG 3.87Å; W404-R461 HydrophobicContact CH2-CG 4.11Å; W404-R461 HydrophobicContact CZ2-CG 3.92Å; W404-R461 HydrophobicContact CZ3-CG 3.99Å; H419-R461 VanDerWaalsContact ND1-CD 3.25Å; H419-R461 WeakPolarHBondContact ND1-CD 3.48Å; V423-R461 HydrophobicContact CB-CB 4.31Å; V423-R461 HydrophobicContact CG1-CB 3.97Å; V423-R461 WeakPolarHBondContact CG1-O 3.5Å; V423-R461 HydrophobicContact CG2-CB 3.9Å; R461-N463 PolarHBondContact O-N 2.69Å
462	N	90.3	Very high	86.6	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	20%	0.202	C	C	.	.			trans	-76.3	50.9	173.6	-159.6	10.5	0	0	0	110.6	V423 A426 Y441 Y442 N460	V423-N462 WeakPolarHBondContact O-CB 3.16Å; A426-N462 HydrophobicContact CB-CB 4.14Å; A426-N462 PolarHBondContact O-ND2 3.48Å; Y441-N462 WeakPolarHBondContact CB-O 3.44Å; Y442-N462 PolarHBondContact N-OD1 3.03Å; Y442-N462 PolarHBondContact O-ND2 2.84Å; N460-N462 VanDerWaalsContact C-N 3.3Å; N460-N462 PolarHBondContact O-N 3.25Å; N460-N462 WeakPolarHBondContact OD1-CB 3.28Å; N460-N462 PolarHBondContact OD1-N 3.08Å
463	N	91.6	Very high	85.9	Confident	15 Å²	15	36.6 Å²	36.6	8%	0.08	22%	0.22	C	C	.	.			trans	-146.8	96	-169.4	178.8	-9.3	0	0	0	108	R439 F452 Y454 N460 R461	R439-N463 VanDerWaalsContact CB-OD1 3.31Å; R439-N463 WeakPolarHBondContact CB-OD1 3.26Å; R439-N463 WeakPolarHBondContact CD-OD1 3.33Å; R439-N463 WeakPolarHBondContact CG-OD1 3.47Å; R439-N463 PolarHBondContact NH1-ND2 2.86Å; R439-N463 PolarHBondContact NH1-OD1 2.87Å; F452-N463 HydrophobicContact CE1-CB 4.35Å; F452-N463 HydrophobicContact CZ-CB 3.8Å; Y454-N463 VanDerWaalsContact CD1-ND2 3.34Å; Y454-N463 WeakPolarHBondContact CD1-ND2 3.27Å; Y454-N463 WeakPolarHBondContact CD2-ND2 3.31Å; Y454-N463 WeakPolarHBondContact CE1-ND2 3.27Å; Y454-N463 VanDerWaalsContact CE2-ND2 3.31Å; Y454-N463 WeakPolarHBondContact CE2-ND2 3.35Å; N460-N463 WeakPolarHBondContact O-CB 3.39Å; R461-N463 PolarHBondContact O-N 2.69Å
464	F	90.9	Very high	85.2	Confident	25 Å²	25	36.2 Å²	36.2	11%	0.11	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-109.8	142.3	-173.6	-57.7	-82	0	0	0	110.9	V423 R439 Y440 S466 D469 C470 A473	V423-F464 HydrophobicContact CG1-CE1 4.08Å; V423-F464 HydrophobicContact CG1-CE2 4.42Å; V423-F464 HydrophobicContact CG1-CZ 3.52Å; R439-F464 CarbonylContact C-O 3.5Å; R439-F464 VanDerWaalsContact CA-O 3.27Å; R439-F464 WeakPolarHBondContact CA-O 3.35Å; R439-F464 WeakPolarHBondContact CB-O 3.22Å; R439-F464 WeakPolarHBondContact CD-O 3.27Å; Y440-F464 PolarHBondContact N-O 2.97Å; Y440-F464 WeakPolarHBondContact O-CB 3.17Å; Y440-F464 VanDerWaalsContact O-CD2 3.25Å; Y440-F464 WeakPolarHBondContact O-CD2 3.07Å; Y440-F464 PolarHBondContact O-N 2.92Å; F464-S466 VanDerWaalsContact C-N 3.34Å; F464-S466 PolarHBondContact O-N 2.9Å; F464-D469 HydrophobicContact CB-CB 4.28Å; F464-D469 HydrophobicContact CD1-CB 4.47Å; F464-C470 HydrophobicContact CB-CB 3.78Å; F464-C470 HydrophobicContact CD2-CB 3.53Å; F464-C470 VanDerWaalsContact CD2-SG 3.55Å; F464-C470 HydrophobicContact CE2-CB 4.23Å; F464-C470 HydrophobicContact CG-CB 3.71Å; F464-A473 HydrophobicContact CD1-CB 4.38Å; F464-A473 HydrophobicContact CE1-CB 3.5Å; F464-A473 HydrophobicContact CZ-CB 3.68Å
465	L	87	Confident	83.3	Confident	67 Å²	67	40.9 Å²	40.9	35%	0.351	25%	0.248	S	C	.	.	S	Bend	trans	-70.1	-30.8	-178	-85.5	71.6	0	0	0	113	V393 V407	V393-L465 HydrophobicContact CB-CD2 4.49Å; V393-L465 HydrophobicContact CG1-CD2 3.55Å; V393-L465 HydrophobicContact CG2-CD2 4.06Å; V407-L465 HydrophobicContact CB-CD1 3.98Å; V407-L465 HydrophobicContact CG1-CD1 4.03Å; V407-L465 HydrophobicContact CG1-CD2 4.25Å; V407-L465 HydrophobicContact CG2-CD1 4.17Å
466	S	86.7	Confident	81.7	Confident	44 Å²	44	42 Å²	42	31%	0.308	26%	0.263	S	S	.	.	S	Bend	trans	-136.1	158.5	179.5	76.1	0	0	0	0	111.9	F464 G468 D469 C470	F464-S466 VanDerWaalsContact C-N 3.34Å; F464-S466 PolarHBondContact O-N 2.9Å; S466-G468 PolarHBondContact O-N 2.8Å; S466-D469 WeakPolarHBondContact CB-OD2 3.38Å; S466-D469 PolarHBondContact N-OD2 2.91Å; S466-D469 PolarHBondContact O-N 2.75Å; S466-D469 PolarHBondContact OG-N 3.4Å; S466-D469 PolarHBondContact OG-OD2 2.96Å; S466-C470 PolarHBondContact O-N 3.39Å; S466-C470 VanDerWaalsContact O-N 3.09Å
467	L	81.1	Confident	80.1	Confident	60 Å²	60	50.2 Å²	50.2	31%	0.314	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-42.4	172.4	179	58.8	0	0	0	110.5	Y440 C449 D469 C470 E471	Y440-L467 HydrophobicContact CD1-CB 3.89Å; Y440-L467 HydrophobicContact CD1-CD1 3.7Å; Y440-L467 HydrophobicContact CD1-CG 4.37Å; Y440-L467 HydrophobicContact CD2-CB 4.3Å; Y440-L467 HydrophobicContact CE1-CB 3.61Å; Y440-L467 HydrophobicContact CE1-CD1 3.85Å; Y440-L467 HydrophobicContact CE1-CD2 4.48Å; Y440-L467 HydrophobicContact CE1-CG 4.18Å; Y440-L467 HydrophobicContact CE2-CB 4.05Å; Y440-L467 VanDerWaalsContact CE2-N 3.27Å; Y440-L467 HydrophobicContact CG-CB 4.22Å; Y440-L467 HydrophobicContact CG-CD1 4.49Å; C449-L467 HydrophobicContact CB-CD1 3.53Å; L467-D469 PolarHBondContact O-N 3.16Å; L467-C470 PolarHBondContact O-N 3.12Å; L467-E471 HydrophobicContact CD1-CG 3.86Å; L467-E471 HydrophobicContact CG-CG 4.12Å; L467-E471 WeakPolarHBondContact O-CB 3.38Å; L467-E471 WeakPolarHBondContact O-CG 3Å; L467-E471 PolarHBondContact O-N 2.76Å
468	G	79	Confident	79	Confident	35 Å²	35	51.8 Å²	51.8	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-39.1	178.7	0	0	0	0	0	113.1	S466 S472	S466-G468 PolarHBondContact O-N 2.8Å; G468-S472 WeakPolarHBondContact O-CB 3.17Å; G468-S472 PolarHBondContact O-N 2.71Å; G468-S472 PolarHBondContact O-OG 3.32Å
469	D	84.1	Confident	78	Confident	85 Å²	85	51.8 Å²	51.8	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-42.1	174.9	-60.3	-41.6	0	0	0	111	F464 S466 L467 A473	F464-D469 HydrophobicContact CB-CB 4.28Å; F464-D469 HydrophobicContact CD1-CB 4.47Å; S466-D469 WeakPolarHBondContact CB-OD2 3.38Å; S466-D469 PolarHBondContact N-OD2 2.91Å; S466-D469 PolarHBondContact O-N 2.75Å; S466-D469 PolarHBondContact OG-N 3.4Å; S466-D469 PolarHBondContact OG-OD2 2.96Å; L467-D469 PolarHBondContact O-N 3.16Å; D469-A473 VanDerWaalsContact O-CB 3.28Å; D469-A473 WeakPolarHBondContact O-CB 3.29Å; D469-A473 PolarHBondContact O-N 3.49Å
470	C	85.3	Confident	77.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-47.8	175.8	-176.7	0	0	0	0	111.7	C449 F464 S466 L467 S472 A473 C474	C449-C470 HydrophobicContact CB-CB 3.69Å; C449-C470 WeakPolarHBondContact CB-SG 3.49Å; C449-C470 WeakPolarHBondContact SG-CB 3.17Å; C449-C470 PolarHBondContact SG-O 2.7Å; C449-C470 VanDerWaalsContact SG-O 3.35Å; C449-C470 CovalentContact SG-SG 2.03Å; C449-C470 PolarHBondContact SG-SG 3.35Å; F464-C470 HydrophobicContact CB-CB 3.78Å; F464-C470 HydrophobicContact CD2-CB 3.53Å; F464-C470 VanDerWaalsContact CD2-SG 3.55Å; F464-C470 HydrophobicContact CE2-CB 4.23Å; F464-C470 HydrophobicContact CG-CB 3.71Å; S466-C470 PolarHBondContact O-N 3.39Å; S466-C470 VanDerWaalsContact O-N 3.09Å; L467-C470 PolarHBondContact O-N 3.12Å; C470-S472 VanDerWaalsContact C-N 3.35Å; C470-S472 PolarHBondContact O-N 3.25Å; C470-A473 CarbonylContact O-C 3.53Å; C470-A473 PolarHBondContact O-N 3.18Å; C470-C474 WeakPolarHBondContact O-CA 3.41Å; C470-C474 PolarHBondContact O-N 3.14Å
471	E	79.2	Confident	76.4	Confident	92 Å²	92	57.3 Å²	57.3	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-37.1	-178.5	-73.6	179.7	161.3	0	0	111.8	C449 L467 A473 C474 P475	C449-E471 HydrophobicContact CB-CG 4.18Å; C449-E471 PolarHBondContact SG-N 3.26Å; C449-E471 VanDerWaalsContact SG-N 3.43Å; L467-E471 HydrophobicContact CD1-CG 3.86Å; L467-E471 HydrophobicContact CG-CG 4.12Å; L467-E471 WeakPolarHBondContact O-CB 3.38Å; L467-E471 WeakPolarHBondContact O-CG 3Å; L467-E471 PolarHBondContact O-N 2.76Å; E471-A473 VanDerWaalsContact C-N 3.29Å; E471-C474 CarbonylContact O-C 3.49Å; E471-C474 VanDerWaalsContact O-C 3.31Å; E471-C474 PolarHBondContact O-N 2.66Å; E471-P475 WeakPolarHBondContact O-CA 3.17Å; E471-P475 WeakPolarHBondContact O-CD 3.38Å
472	S	75.2	Confident	75.2	Confident	107 Å²	107	59.6 Å²	59.6	75%	0.748	37%	0.373	S	S	*	.	H	α-helix	trans	-65.1	-36	173.3	-60.9	0	0	0	0	111.2	G468 C470	G468-S472 WeakPolarHBondContact O-CB 3.17Å; G468-S472 PolarHBondContact O-N 2.71Å; G468-S472 PolarHBondContact O-OG 3.32Å; C470-S472 VanDerWaalsContact C-N 3.35Å; C470-S472 PolarHBondContact O-N 3.25Å
473	A	76	Confident	74.1	Confident	50 Å²	50	63 Å²	63	41%	0.413	40%	0.402	S	S	.	.	H	α-helix	trans	-75.3	-33.8	171.9	0	0	0	0	0	112.8	C424 F464 D469 C470 E471	C424-A473 PolarHBondContact SG-O 3.45Å; F464-A473 HydrophobicContact CD1-CB 4.38Å; F464-A473 HydrophobicContact CE1-CB 3.5Å; F464-A473 HydrophobicContact CZ-CB 3.68Å; D469-A473 VanDerWaalsContact O-CB 3.28Å; D469-A473 WeakPolarHBondContact O-CB 3.29Å; D469-A473 PolarHBondContact O-N 3.49Å; C470-A473 CarbonylContact O-C 3.53Å; C470-A473 PolarHBondContact O-N 3.18Å; E471-A473 VanDerWaalsContact C-N 3.29Å
474	C	71.8	Confident	72.4	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.034	42%	0.422	C	S	.	.	S	Bend	trans	-156.2	88.7	-168.2	-33.3	0	0	0	0	113.9	C424 Y442 C449 C470 E471	C424-C474 HydrophobicContact CB-CB 4.19Å; C424-C474 WeakPolarHBondContact CB-SG 3.28Å; C424-C474 WeakPolarHBondContact SG-CB 3.43Å; C424-C474 CovalentContact SG-SG 2.07Å; C424-C474 PolarHBondContact SG-SG 2.77Å; Y442-C474 HydrophobicContact CD1-CB 3.92Å; Y442-C474 HydrophobicContact CD2-CB 3.17Å; Y442-C474 WeakPolarHBondContact CD2-O 3.02Å; Y442-C474 HydrophobicContact CE1-CB 4.24Å; Y442-C474 HydrophobicContact CE2-CB 3.59Å; Y442-C474 WeakPolarHBondContact CE2-O 3.44Å; Y442-C474 HydrophobicContact CG-CB 3.32Å; C449-C474 PolarHBondContact SG-O 2.78Å; C470-C474 WeakPolarHBondContact O-CA 3.41Å; C470-C474 PolarHBondContact O-N 3.14Å; E471-C474 CarbonylContact O-C 3.49Å; E471-C474 VanDerWaalsContact O-C 3.31Å; E471-C474 PolarHBondContact O-N 2.66Å
475	P	53.5	Low	71.5	Confident	99 Å²	99	69.9 Å²	69.9	64%	0.643	45%	0.446	S	S	*	.			trans	-84.6	157	-168.5	28.5	-34.8	0	0	0	120.1	E471	E471-P475 WeakPolarHBondContact O-CA 3.17Å; E471-P475 WeakPolarHBondContact O-CD 3.38Å
476	G	55.5	Low	71.1	Confident	48 Å²	48	73.6 Å²	73.6	50%	0.495	46%	0.457	S	S	.	.			trans	-135.3	175.9	-179.3	0	0	0	0	0	118.8	K447	K447-G476 WeakPolarHBondContact O-CA 3.32Å
477	Q	53.2	Low	70.9	Confident	173 Å²	173	72.9 Å²	72.9	81%	0.808	45%	0.45	S	S	*	.			trans	-142.1	154.3	-166.5	-62.7	-173	-7.6	0	0	119.2	P516	Q477-P516 VanDerWaalsContact O-CG 3.31Å; Q477-P516 WeakPolarHBondContact O-CG 3.26Å
478	P	67.1	Low	70.9	Confident	58 Å²	58	75.1 Å²	75.1	38%	0.377	46%	0.462	S	S	.	.			trans	-75.9	165.3	176.1	-15	29.9	0	0	0	118	Y486	P478-Y486 HydrophobicContact CB-CD1 4.13Å; P478-Y486 HydrophobicContact CB-CE1 4.03Å; P478-Y486 HydrophobicContact CG-CE1 4.11Å
479	A	67.8	Low	71.3	Confident	8 Å²	8	73.6 Å²	73.6	7%	0.066	45%	0.446	C	S	.	.			trans	-71.8	131.1	179.1	0	0	0	0	0	112.9	Y486 V487 Y501 C514	A479-Y486 WeakPolarHBondContact O-CA 3.33Å; A479-V487 HydrophobicContact CB-CG2 4.32Å; A479-V487 PolarHBondContact O-N 3.33Å; A479-Y501 HydrophobicContact CB-CD1 3.37Å; A479-Y501 HydrophobicContact CB-CD2 4.47Å; A479-Y501 HydrophobicContact CB-CE1 3.14Å; A479-Y501 HydrophobicContact CB-CE2 4.27Å; A479-Y501 HydrophobicContact CB-CG 4.07Å; A479-Y501 VanDerWaalsContact N-CE1 3.29Å; A479-C514 HydrophobicContact CB-CB 4.32Å
480	T	67.2	Low	71.3	Confident	74 Å²	74	72.1 Å²	72.1	45%	0.454	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-120.7	146.9	173.6	58.8	0	0	0	0	111.3	G484 H485 Y486	T480-G484 WeakPolarHBondContact CG2-O 3.42Å; T480-H485 CarbonylContact C-O 3.37Å; T480-H485 VanDerWaalsContact CA-O 3.23Å; T480-H485 WeakPolarHBondContact CA-O 3.19Å; T480-Y486 HydrophobicContact CG2-CD1 4.01Å; T480-Y486 HydrophobicContact CG2-CE1 4.22Å
481	T	72.8	Confident	70.6	Confident	61 Å²	61	75.2 Å²	75.2	37%	0.374	47%	0.466	S	S	.	.			trans	-58.2	167.7	163.2	60.9	0	0	0	0	110.6	A483 G484 H485 V487	T481-A483 PolarHBondContact O-N 2.99Å; T481-G484 PolarHBondContact O-N 3.37Å; T481-H485 PolarHBondContact N-O 3.41Å; T481-H485 PolarHBondContact OG1-N 2.77Å; T481-H485 PolarHBondContact OG1-O 3.32Å; T481-V487 HydrophobicContact CG2-CG2 4.12Å
482	S	64.1	Low	70.4	Confident	142 Å²	142	77.6 Å²	77.6	99%	0.993	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.2	173.8	42.1	0	0	0	0	114.1
483	A	67	Low	70.4	Confident	76 Å²	76	75.2 Å²	75.2	63%	0.628	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1.9	173.5	0	0	0	0	0	113.9	T481	T481-A483 PolarHBondContact O-N 2.99Å
484	G	56.4	Low	69.7	Low	48 Å²	48	74.2 Å²	74.2	50%	0.495	46%	0.46	S	S	.	.	S	Bend	trans	82.9	5.1	-179	0	0	0	0	0	115	T480 T481	T480-G484 WeakPolarHBondContact CG2-O 3.42Å; T481-G484 PolarHBondContact O-N 3.37Å
485	H	72.5	Confident	69.8	Low	136 Å²	136	83 Å²	83	63%	0.63	50%	0.501	S	S	*	.			trans	-85.8	139.4	178.1	-66.3	-161.1	0	0	0	110.9	T480 T481	T480-H485 CarbonylContact C-O 3.37Å; T480-H485 VanDerWaalsContact CA-O 3.23Å; T480-H485 WeakPolarHBondContact CA-O 3.19Å; T481-H485 PolarHBondContact N-O 3.41Å; T481-H485 PolarHBondContact OG1-N 2.77Å; T481-H485 PolarHBondContact OG1-O 3.32Å
486	Y	77	Confident	70.9	Confident	144 Å²	144	83 Å²	83	57%	0.565	50%	0.495	S	S	*	.	B	Isolated β-bridge	trans	-56.8	139	174.9	-60.2	-58.9	0	0	0	112.2	P478 A479 T480 L488	P478-Y486 HydrophobicContact CB-CD1 4.13Å; P478-Y486 HydrophobicContact CB-CE1 4.03Å; P478-Y486 HydrophobicContact CG-CE1 4.11Å; A479-Y486 WeakPolarHBondContact O-CA 3.33Å; T480-Y486 HydrophobicContact CG2-CD1 4.01Å; T480-Y486 HydrophobicContact CG2-CE1 4.22Å; Y486-L488 PolarHBondContact O-N 2.49Å
487	V	82.7	Confident	72.1	Confident	29 Å²	29	81.5 Å²	81.5	18%	0.176	48%	0.477	C	S	.	.			trans	-76.9	109.7	174.9	-175.2	0	0	0	0	108.5	A479 T481 V513 C514	A479-V487 HydrophobicContact CB-CG2 4.32Å; A479-V487 PolarHBondContact O-N 3.33Å; T481-V487 HydrophobicContact CG2-CG2 4.12Å; V487-V513 CarbonylContact O-C 3.48Å; V487-V513 VanDerWaalsContact O-CA 3.28Å; V487-V513 WeakPolarHBondContact O-CA 3.46Å; V487-C514 HydrophobicContact CB-CB 4.07Å; V487-C514 HydrophobicContact CG1-CB 4.34Å; V487-C514 VanDerWaalsContact CG1-SG 3.58Å; V487-C514 PolarHBondContact O-N 3.03Å
488	L	82.7	Confident	73.3	Confident	107 Å²	107	76.2 Å²	76.2	56%	0.56	46%	0.457	S	S	*	.	B	Isolated β-bridge	trans	-80.3	142	177.4	-73.2	148.8	0	0	0	111	Y486 S512 V513	Y486-L488 PolarHBondContact O-N 2.49Å; L488-S512 WeakPolarHBondContact CA-O 3.22Å; L488-V513 HydrophobicContact CD2-CG1 4.01Å; L488-V513 HydrophobicContact CG-CG1 4.44Å
489	C	86.1	Confident	73.4	Confident	4 Å²	4	77.7 Å²	77.7	3%	0.027	48%	0.475	C	S	.	.			trans	-142	172.9	-179.8	75.8	0	0	0	0	111	C503 S512	C489-C503 HydrophobicContact CB-CB 3.8Å; C489-C503 WeakPolarHBondContact CB-SG 3.27Å; C489-C503 WeakPolarHBondContact SG-CA 3.34Å; C489-C503 WeakPolarHBondContact SG-CB 3.43Å; C489-C503 CovalentContact SG-SG 2.03Å; C489-C503 PolarHBondContact SG-SG 3.38Å; C489-S512 PolarHBondContact N-O 3.16Å; C489-S512 WeakPolarHBondContact O-CB 3.27Å
490	T	83.8	Confident	73.4	Confident	54 Å²	54	83.2 Å²	83.2	33%	0.331	50%	0.503	S	S	.	.			trans	-146.6	167.9	-179	71	0	0	0	0	109.7	T492 N493 G494 C503	T490-T492 PolarHBondContact O-N 3.36Å; T490-T492 VanDerWaalsContact O-N 3.11Å; T490-T492 PolarHBondContact OG1-N 2.96Å; T490-T492 PolarHBondContact OG1-OG1 3.1Å; T490-N493 WeakPolarHBondContact CA-OD1 3.45Å; T490-N493 WeakPolarHBondContact CB-OD1 3.4Å; T490-N493 PolarHBondContact N-OD1 3.38Å; T490-N493 PolarHBondContact O-N 2.73Å; T490-N493 PolarHBondContact O-OD1 2.95Å; T490-N493 PolarHBondContact OG1-N 3.45Å; T490-N493 PolarHBondContact OG1-ND2 3.08Å; T490-N493 PolarHBondContact OG1-OD1 2.81Å; T490-G494 PolarHBondContact O-N 3.04Å; T490-G494 VanDerWaalsContact O-N 3.12Å; T490-C503 PolarHBondContact N-SG 2.92Å; T490-C503 VanDerWaalsContact N-SG 3.4Å; T490-C503 PolarHBondContact O-SG 3.16Å
491	A	71.1	Confident	74	Confident	65 Å²	65	83.1 Å²	83.1	54%	0.537	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.9	177.5	0	0	0	0	0	114.2	V505 V563	A491-V505 HydrophobicContact CB-CG1 4.35Å; A491-V505 HydrophobicContact CB-CG2 4.28Å; A491-V563 HydrophobicContact CB-CG2 4.25Å
492	T	75	Confident	74.4	Confident	141 Å²	141	82.1 Å²	82.1	87%	0.865	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.8	-177.9	54.2	0	0	0	0	114.1	T490	T490-T492 PolarHBondContact O-N 3.36Å; T490-T492 VanDerWaalsContact O-N 3.11Å; T490-T492 PolarHBondContact OG1-N 2.96Å; T490-T492 PolarHBondContact OG1-OG1 3.1Å
493	N	74.8	Confident	75.4	Confident	57 Å²	57	76.4 Å²	76.4	31%	0.305	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	25.1	-177.1	71.8	4.1	0	0	0	113.3	T490 Q495 L496	T490-N493 WeakPolarHBondContact CA-OD1 3.45Å; T490-N493 WeakPolarHBondContact CB-OD1 3.4Å; T490-N493 PolarHBondContact N-OD1 3.38Å; T490-N493 PolarHBondContact O-N 2.73Å; T490-N493 PolarHBondContact O-OD1 2.95Å; T490-N493 PolarHBondContact OG1-N 3.45Å; T490-N493 PolarHBondContact OG1-ND2 3.08Å; T490-N493 PolarHBondContact OG1-OD1 2.81Å; N493-Q495 PolarHBondContact O-N 3.16Å; N493-L496 HydrophobicContact CB-CD1 3.88Å; N493-L496 HydrophobicContact CB-CG 4.3Å; N493-L496 WeakPolarHBondContact ND2-CD1 3.04Å; N493-L496 WeakPolarHBondContact O-CB 3.41Å; N493-L496 WeakPolarHBondContact O-CG 3.22Å; N493-L496 PolarHBondContact O-N 2.88Å
494	G	61.6	Low	76.4	Confident	29 Å²	29	73.2 Å²	73.2	30%	0.299	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-55.1	-20.4	179.7	0	0	0	0	0	115	T490 L496 C497	T490-G494 PolarHBondContact O-N 3.04Å; T490-G494 VanDerWaalsContact O-N 3.12Å; G494-L496 PolarHBondContact O-N 3.16Å; G494-L496 VanDerWaalsContact O-N 3.13Å; G494-C497 PolarHBondContact O-N 3.38Å
495	Q	73.4	Confident	77.8	Confident	189 Å²	189	72.4 Å²	72.4	88%	0.883	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-53.4	-22.8	167.7	158.3	-176.5	-36.6	0	0	114.4	N493 C497	N493-Q495 PolarHBondContact O-N 3.16Å; Q495-C497 PolarHBondContact O-N 3.18Å
496	L	76.7	Confident	78.3	Confident	101 Å²	101	66 Å²	66	53%	0.529	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-65.9	-18.6	179	-70.6	171	0	0	0	113	N493 G494	N493-L496 HydrophobicContact CB-CD1 3.88Å; N493-L496 HydrophobicContact CB-CG 4.3Å; N493-L496 WeakPolarHBondContact ND2-CD1 3.04Å; N493-L496 WeakPolarHBondContact O-CB 3.41Å; N493-L496 WeakPolarHBondContact O-CG 3.22Å; N493-L496 PolarHBondContact O-N 2.88Å; G494-L496 PolarHBondContact O-N 3.16Å; G494-L496 VanDerWaalsContact O-N 3.13Å
497	C	80.6	Confident	78.6	Confident	16 Å²	16	63.8 Å²	63.8	11%	0.108	37%	0.367	C	S	.	.	S	Bend	trans	-70.5	136.7	179.1	-63	0	0	0	0	111.5	G494 Q495 C514	G494-C497 PolarHBondContact O-N 3.38Å; Q495-C497 PolarHBondContact O-N 3.18Å; C497-C514 WeakPolarHBondContact CA-SG 3.45Å; C497-C514 HydrophobicContact CB-CB 3.72Å; C497-C514 WeakPolarHBondContact CB-SG 3.16Å; C497-C514 VanDerWaalsContact SG-CA 3.51Å; C497-C514 WeakPolarHBondContact SG-CB 3.22Å; C497-C514 CovalentContact SG-SG 2.05Å; C497-C514 PolarHBondContact SG-SG 3.28Å
498	P	78.9	Confident	78.5	Confident	61 Å²	61	66 Å²	66	40%	0.396	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-57.4	164.2	175.4	-21.7	31.4	0	0	0	112.2	N500 Y501	P498-N500 PolarHBondContact O-N 3.17Å; P498-Y501 HydrophobicContact CB-CD2 3.93Å; P498-Y501 HydrophobicContact CG-CD2 4.26Å; P498-Y501 WeakPolarHBondContact O-CB 3.46Å; P498-Y501 PolarHBondContact O-N 3.18Å
499	A	70.1	Confident	78.2	Confident	90 Å²	90	66.4 Å²	66.4	74%	0.744	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.8	170.1	0	0	0	0	0	110.6	Y501	A499-Y501 PolarHBondContact O-N 3.47Å
500	N	66.2	Low	77.8	Confident	124 Å²	124	70.2 Å²	70.2	66%	0.663	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	26.5	-172.3	-47.6	-28.1	0	0	0	114.4	P498 G517	P498-N500 PolarHBondContact O-N 3.17Å; N500-G517 CarbonylContact C-O 3.53Å; N500-G517 VanDerWaalsContact CA-O 3.26Å; N500-G517 WeakPolarHBondContact CA-O 3.45Å; N500-G517 CarbonylContact O-C 3.11Å; N500-G517 PolarHBondContact O-N 3.21Å
501	Y	81.4	Confident	77.6	Confident	72 Å²	72	69.6 Å²	69.6	28%	0.282	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144	162.1	-72.3	-102.1	0	0	0	110.4	A479 P498 A499 C514 C515 P516 G517	A479-Y501 HydrophobicContact CB-CD1 3.37Å; A479-Y501 HydrophobicContact CB-CD2 4.47Å; A479-Y501 HydrophobicContact CB-CE1 3.14Å; A479-Y501 HydrophobicContact CB-CE2 4.27Å; A479-Y501 HydrophobicContact CB-CG 4.07Å; A479-Y501 VanDerWaalsContact N-CE1 3.29Å; P498-Y501 HydrophobicContact CB-CD2 3.93Å; P498-Y501 HydrophobicContact CG-CD2 4.26Å; P498-Y501 WeakPolarHBondContact O-CB 3.46Å; P498-Y501 PolarHBondContact O-N 3.18Å; A499-Y501 PolarHBondContact O-N 3.47Å; Y501-C514 HydrophobicContact CD1-CB 4.31Å; Y501-C514 WeakPolarHBondContact CD1-O 3.35Å; Y501-C515 CarbonylContact C-O 3.55Å; Y501-C515 WeakPolarHBondContact CA-O 3.03Å; Y501-C515 WeakPolarHBondContact CB-O 3.18Å; Y501-C515 VanDerWaalsContact CD1-O 3.29Å; Y501-C515 WeakPolarHBondContact CD1-O 3.36Å; Y501-P516 HydrophobicContact CD1-CB 4.41Å; Y501-P516 HydrophobicContact CD1-CG 4.35Å; Y501-P516 VanDerWaalsContact CD1-N 3.31Å; Y501-P516 HydrophobicContact CE1-CB 3.93Å; Y501-P516 HydrophobicContact CE1-CG 3.63Å; Y501-G517 CarbonylContact C-O 3.51Å; Y501-G517 VanDerWaalsContact CA-O 3.27Å; Y501-G517 WeakPolarHBondContact CA-O 3.18Å; Y501-G517 PolarHBondContact N-O 3.17Å
502	W	81	Confident	78.3	Confident	40 Å²	40	66.7 Å²	66.7	15%	0.152	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.4	172.6	76.5	-79.7	0	0	0	110.7	H504 C514 C515 N558 E559	W502-H504 HydrophobicContact CH2-CB 3.88Å; W502-H504 AromaticContact CH2-CD2 3.83Å; W502-H504 HydrophobicContact CZ2-CB 3.95Å; W502-H504 HydrophobicContact CZ3-CB 4.23Å; W502-H504 PolarHBondContact O-N 3.22Å; W502-C514 WeakPolarHBondContact O-CA 3.21Å; W502-C515 PolarHBondContact N-O 3.13Å; W502-C515 PolarHBondContact O-N 3.15Å; W502-N558 WeakPolarHBondContact CH2-O 3.4Å; W502-E559 HydrophobicContact CB-CG 3.89Å; W502-E559 HydrophobicContact CD2-CB 4.45Å; W502-E559 HydrophobicContact CD2-CG 3.48Å; W502-E559 VanDerWaalsContact CD2-CG 3.48Å; W502-E559 HydrophobicContact CE3-CB 4.49Å; W502-E559 HydrophobicContact CE3-CG 3.96Å; W502-E559 HydrophobicContact CG-CG 3.42Å; W502-E559 VanDerWaalsContact CG-CG 3.42Å; W502-E559 HydrophobicContact CZ2-CG 4.46Å
503	C	85.5	Confident	78.8	Confident	21 Å²	21	61.2 Å²	61.2	14%	0.142	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.1	176.6	179.1	0	0	0	0	111	C489 T490 V505	C489-C503 HydrophobicContact CB-CB 3.8Å; C489-C503 WeakPolarHBondContact CB-SG 3.27Å; C489-C503 WeakPolarHBondContact SG-CA 3.34Å; C489-C503 WeakPolarHBondContact SG-CB 3.43Å; C489-C503 CovalentContact SG-SG 2.03Å; C489-C503 PolarHBondContact SG-SG 3.38Å; T490-C503 PolarHBondContact N-SG 2.92Å; T490-C503 VanDerWaalsContact N-SG 3.4Å; T490-C503 PolarHBondContact O-SG 3.16Å; C503-V505 PolarHBondContact O-N 2.79Å
504	H	86.8	Confident	79.3	Confident	10 Å²	10	58.5 Å²	58.5	5%	0.046	34%	0.335	C	S	.	.			trans	-68.7	123.6	167.1	170.7	-92.8	0	0	0	109	W502 V511 S512 V513 Y552 G554	W502-H504 HydrophobicContact CH2-CB 3.88Å; W502-H504 AromaticContact CH2-CD2 3.83Å; W502-H504 HydrophobicContact CZ2-CB 3.95Å; W502-H504 HydrophobicContact CZ3-CB 4.23Å; W502-H504 PolarHBondContact O-N 3.22Å; H504-V511 PolarHBondContact CE1-O 3.24Å; H504-V511 PolarHBondContact ND1-O 2.79Å; H504-S512 CarbonylContact O-C 3.6Å; H504-S512 WeakPolarHBondContact O-CA 3.12Å; H504-S512 WeakPolarHBondContact O-CB 3.07Å; H504-V513 WeakPolarHBondContact CB-O 3.11Å; H504-V513 PolarHBondContact N-O 3.3Å; H504-V513 VanDerWaalsContact N-O 3.08Å; H504-V513 PolarHBondContact O-N 2.03Å; H504-Y552 PolarHBondContact CD2-OH 3.39Å; H504-Y552 AromaticContact NE2-CZ 3.84Å; H504-Y552 PolarHBondContact NE2-OH 3.45Å; H504-G554 PolarHBondContact CE1-O 3.13Å
505	V	85	Confident	80.2	Confident	30 Å²	30	58.6 Å²	58.6	18%	0.182	33%	0.33	C	S	.	.			trans	-111.9	102	177.9	-176.1	0	0	0	0	110	A491 C503 R537	A491-V505 HydrophobicContact CB-CG1 4.35Å; A491-V505 HydrophobicContact CB-CG2 4.28Å; C503-V505 PolarHBondContact O-N 2.79Å; V505-R537 PolarHBondContact O-NH1 3.13Å; V505-R537 VanDerWaalsContact O-NH1 3.13Å; V505-R537 PolarHBondContact O-NH2 2.79Å
506	G	84.3	Confident	80.1	Confident	2 Å²	2	51.5 Å²	51.5	2%	0.021	30%	0.301	C	S	.	.			trans	-122.1	-177.6	-172.7	0	0	0	0	0	115.2	S512 G554	G506-S512 PolarHBondContact N-OG 2.98Å; G506-S512 PolarHBondContact O-OG 3.03Å; G506-G554 CarbonylContact C-O 3.56Å; G506-G554 WeakPolarHBondContact CA-O 3.17Å
507	E	82.8	Confident	79.6	Confident	98 Å²	98	47.6 Å²	47.6	46%	0.458	29%	0.285	S	S	.	.	S	Bend	trans	-132.2	130.4	177.9	-175.7	64.2	-147.1	0	0	110.2	A533 L535 G554	E507-A533 HydrophobicContact CB-CB 4.01Å; E507-A533 HydrophobicContact CG-CB 4.38Å; E507-L535 HydrophobicContact CB-CD1 4.08Å; E507-G554 PolarHBondContact N-O 3.44Å
508	P	81.1	Confident	78.4	Confident	74 Å²	74	49.6 Å²	49.6	48%	0.481	31%	0.308	S	S	.	.	S	Bend	cis	-67.2	161.5	-3.1	29.5	-34.8	0	0	0	112.5	S510 V511	P508-S510 PolarHBondContact O-N 3.34Å; P508-V511 WeakPolarHBondContact O-CG2 2.97Å; P508-V511 PolarHBondContact O-N 3.24Å
509	N	75.7	Confident	77.4	Confident	116 Å²	116	51 Å²	51	62%	0.62	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-50.2	-21.2	-177.9	-76.5	-21.7	0	0	0	115.2	V511 S512	N509-V511 PolarHBondContact O-N 3.12Å; N509-S512 WeakPolarHBondContact O-CB 3.43Å; N509-S512 PolarHBondContact O-N 3.25Å
510	S	78.5	Confident	77.5	Confident	84 Å²	84	50.8 Å²	50.8	59%	0.587	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64.3	-17.6	174.7	57.8	0	0	0	0	114.7	P508	P508-S510 PolarHBondContact O-N 3.34Å
511	V	78.5	Confident	78.1	Confident	42 Å²	42	45.2 Å²	45.2	26%	0.255	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-90.9	-0.1	173	-61.5	0	0	0	0	112.9	H504 P508 N509 V513 V555	H504-V511 PolarHBondContact CE1-O 3.24Å; H504-V511 PolarHBondContact ND1-O 2.79Å; P508-V511 WeakPolarHBondContact O-CG2 2.97Å; P508-V511 PolarHBondContact O-N 3.24Å; N509-V511 PolarHBondContact O-N 3.12Å; V511-V513 PolarHBondContact O-N 3.04Å; V511-V513 VanDerWaalsContact O-N 3.1Å; V511-V555 HydrophobicContact CB-CG1 4Å; V511-V555 HydrophobicContact CG1-CG1 3.96Å; V511-V555 HydrophobicContact CG2-CG1 3.74Å
512	S	86.6	Confident	78.2	Confident	3 Å²	3	42 Å²	42	2%	0.021	26%	0.255	C	S	.	.			trans	-81.3	90.3	177	-61.8	0	0	0	0	110.2	L488 C489 H504 G506 N509	L488-S512 WeakPolarHBondContact CA-O 3.22Å; C489-S512 PolarHBondContact N-O 3.16Å; C489-S512 WeakPolarHBondContact O-CB 3.27Å; H504-S512 CarbonylContact O-C 3.6Å; H504-S512 WeakPolarHBondContact O-CA 3.12Å; H504-S512 WeakPolarHBondContact O-CB 3.07Å; G506-S512 PolarHBondContact N-OG 2.98Å; G506-S512 PolarHBondContact O-OG 3.03Å; N509-S512 WeakPolarHBondContact O-CB 3.43Å; N509-S512 PolarHBondContact O-N 3.25Å
513	V	86.1	Confident	78.2	Confident	26 Å²	26	42.4 Å²	42.4	16%	0.158	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-130.1	159.5	-171.7	-63.6	0	0	0	0	111.9	V487 L488 H504 V511 C515	V487-V513 CarbonylContact O-C 3.48Å; V487-V513 VanDerWaalsContact O-CA 3.28Å; V487-V513 WeakPolarHBondContact O-CA 3.46Å; L488-V513 HydrophobicContact CD2-CG1 4.01Å; L488-V513 HydrophobicContact CG-CG1 4.44Å; H504-V513 WeakPolarHBondContact CB-O 3.11Å; H504-V513 PolarHBondContact N-O 3.3Å; H504-V513 VanDerWaalsContact N-O 3.08Å; H504-V513 PolarHBondContact O-N 2.03Å; V511-V513 PolarHBondContact O-N 3.04Å; V511-V513 VanDerWaalsContact O-N 3.1Å; V513-C515 PolarHBondContact O-N 3.43Å
514	C	84.3	Confident	78	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	107.5	175.2	-61.7	0	0	0	0	110.5	A479 V487 C497 Y501 W502	A479-C514 HydrophobicContact CB-CB 4.32Å; V487-C514 HydrophobicContact CB-CB 4.07Å; V487-C514 HydrophobicContact CG1-CB 4.34Å; V487-C514 VanDerWaalsContact CG1-SG 3.58Å; V487-C514 PolarHBondContact O-N 3.03Å; C497-C514 WeakPolarHBondContact CA-SG 3.45Å; C497-C514 HydrophobicContact CB-CB 3.72Å; C497-C514 WeakPolarHBondContact CB-SG 3.16Å; C497-C514 VanDerWaalsContact SG-CA 3.51Å; C497-C514 WeakPolarHBondContact SG-CB 3.22Å; C497-C514 CovalentContact SG-SG 2.05Å; C497-C514 PolarHBondContact SG-SG 3.28Å; Y501-C514 HydrophobicContact CD1-CB 4.31Å; Y501-C514 WeakPolarHBondContact CD1-O 3.35Å; W502-C514 WeakPolarHBondContact O-CA 3.21Å
515	C	80.4	Confident	77.8	Confident	30 Å²	30	46 Å²	46	20%	0.203	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.4	178.7	-64.2	0	0	0	0	109.7	Y501 W502 V513 G517	Y501-C515 CarbonylContact C-O 3.55Å; Y501-C515 WeakPolarHBondContact CA-O 3.03Å; Y501-C515 WeakPolarHBondContact CB-O 3.18Å; Y501-C515 VanDerWaalsContact CD1-O 3.29Å; Y501-C515 WeakPolarHBondContact CD1-O 3.36Å; W502-C515 PolarHBondContact N-O 3.13Å; W502-C515 PolarHBondContact O-N 3.15Å; V513-C515 PolarHBondContact O-N 3.43Å; C515-G517 PolarHBondContact O-N 3.07Å
516	P	72	Confident	77.8	Confident	41 Å²	41	47.6 Å²	47.6	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	133.9	174.7	-15.6	26.7	0	0	0	109.3	Q448 Q477 Y501	Q448-P516 VanDerWaalsContact NE2-CB 3.26Å; Q477-P516 VanDerWaalsContact O-CG 3.31Å; Q477-P516 WeakPolarHBondContact O-CG 3.26Å; Y501-P516 HydrophobicContact CD1-CB 4.41Å; Y501-P516 HydrophobicContact CD1-CG 4.35Å; Y501-P516 VanDerWaalsContact CD1-N 3.31Å; Y501-P516 HydrophobicContact CE1-CB 3.93Å; Y501-P516 HydrophobicContact CE1-CG 3.63Å
517	G	65.5	Low	77.9	Confident	19 Å²	19	51.7 Å²	51.7	20%	0.196	31%	0.307	C	S	.	.			trans	163.6	143.9	-177.1	0	0	0	0	0	111.7	N500 Y501 C515 E559	N500-G517 CarbonylContact C-O 3.53Å; N500-G517 VanDerWaalsContact CA-O 3.26Å; N500-G517 WeakPolarHBondContact CA-O 3.45Å; N500-G517 CarbonylContact O-C 3.11Å; N500-G517 PolarHBondContact O-N 3.21Å; Y501-G517 CarbonylContact C-O 3.51Å; Y501-G517 VanDerWaalsContact CA-O 3.27Å; Y501-G517 WeakPolarHBondContact CA-O 3.18Å; Y501-G517 PolarHBondContact N-O 3.17Å; C515-G517 PolarHBondContact O-N 3.07Å; G517-E559 VanDerWaalsContact CA-OE1 3.27Å; G517-E559 WeakPolarHBondContact CA-OE1 3.4Å
518	G	56.5	Low	78	Confident	57 Å²	57	50.3 Å²	50.3	59%	0.588	31%	0.308	S	S	*	.			trans	-167.4	21.5	-178.8	0	0	0	0	0	111.3	E559	G518-E559 PolarHBondContact N-OE1 2.95Å
519	E	58.3	Low	78.1	Confident	92 Å²	92	47.9 Å²	47.9	43%	0.43	30%	0.296	S	S	.	.	S	Bend	trans	-89	166.5	-178.8	-67.5	-172.6	-175.6	0	0	110.4	P521	E519-P521 WeakPolarHBondContact O-CD 3.49Å
520	N	71.4	Confident	78.2	Confident	85 Å²	85	47.9 Å²	47.9	46%	0.455	30%	0.297	S	S	.	.			trans	-69.2	111.9	173.7	-175.3	-13.4	0	0	0	109.2	C522 L523	N520-C522 PolarHBondContact O-N 3.41Å; N520-C522 WeakPolarHBondContact OD1-CB 3.24Å; N520-C522 PolarHBondContact OD1-N 3.41Å; N520-C522 PolarHBondContact OD1-SG 3.45Å; N520-L523 HydrophobicContact CB-CD1 4.15Å; N520-L523 HydrophobicContact CB-CG 4.2Å; N520-L523 PolarHBondContact O-N 3.2Å
521	P	79.3	Confident	78.3	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.039	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.3	-27.6	-173.8	-24.7	35.1	0	0	0	113.2	E519 L523 L524 E559 N560 F562 R571	E519-P521 WeakPolarHBondContact O-CD 3.49Å; P521-L523 PolarHBondContact O-N 3.37Å; P521-L523 VanDerWaalsContact O-N 3.11Å; P521-L524 PolarHBondContact O-N 3.23Å; P521-E559 HydrophobicContact CB-CB 3.78Å; P521-E559 WeakPolarHBondContact CB-O 3.34Å; P521-E559 HydrophobicContact CG-CB 3.91Å; P521-N560 VanDerWaalsContact O-CB 3.26Å; P521-N560 WeakPolarHBondContact O-CB 3.33Å; P521-F562 HydrophobicContact CB-CE1 4.42Å; P521-F562 HydrophobicContact CB-CZ 3.85Å; P521-R571 HydrophobicContact CG-CG 4.3Å
522	C	83.2	Confident	78.5	Confident	6 Å²	6	51.4 Å²	51.4	4%	0.041	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.7	-13.5	-178.1	-42.4	0	0	0	0	113.4	N520 F540 R542 R571 C572	N520-C522 PolarHBondContact O-N 3.41Å; N520-C522 WeakPolarHBondContact OD1-CB 3.24Å; N520-C522 PolarHBondContact OD1-N 3.41Å; N520-C522 PolarHBondContact OD1-SG 3.45Å; C522-F540 HydrophobicContact CB-CB 4.48Å; C522-F540 HydrophobicContact CB-CD1 3.8Å; C522-F540 HydrophobicContact CB-CE1 4.31Å; C522-F540 HydrophobicContact CB-CG 4.25Å; C522-F540 WeakPolarHBondContact O-CD1 3.34Å; C522-R542 WeakPolarHBondContact O-CD 3.04Å; C522-R542 WeakPolarHBondContact O-CG 3.19Å; C522-R571 PolarHBondContact SG-O 3.47Å; C522-R571 VanDerWaalsContact SG-O 3.35Å; C522-C572 VanDerWaalsContact CA-SG 3.52Å; C522-C572 HydrophobicContact CB-CB 3.83Å; C522-C572 WeakPolarHBondContact CB-SG 3.26Å; C522-C572 WeakPolarHBondContact SG-CA 3.46Å; C522-C572 WeakPolarHBondContact SG-CB 3.44Å; C522-C572 CovalentContact SG-SG 2.02Å; C522-C572 PolarHBondContact SG-SG 2.9Å
523	L	81.2	Confident	78.3	Confident	47 Å²	47	52.4 Å²	52.4	25%	0.246	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-95	-18.4	179.9	-58.1	-177.8	0	0	0	113	N520 P521 R542	N520-L523 HydrophobicContact CB-CD1 4.15Å; N520-L523 HydrophobicContact CB-CG 4.2Å; N520-L523 PolarHBondContact O-N 3.2Å; P521-L523 PolarHBondContact O-N 3.37Å; P521-L523 VanDerWaalsContact O-N 3.11Å; L523-R542 WeakPolarHBondContact O-CD 3.27Å; L523-R542 PolarHBondContact O-NH1 3.44Å
524	L	80.9	Confident	78.3	Confident	28 Å²	28	58.5 Å²	58.5	15%	0.147	35%	0.351	C	S	.	.	S	Bend	trans	-76	146.5	-175.9	-53.5	174.6	0	0	0	111	P521 N558 E559 N560	P521-L524 PolarHBondContact O-N 3.23Å; L524-N558 HydrophobicContact CD1-CB 4.06Å; L524-E559 HydrophobicContact CD1-CB 3.64Å; L524-E559 HydrophobicContact CD1-CG 4.16Å; L524-N560 HydrophobicContact CB-CB 4.06Å; L524-N560 PolarHBondContact O-ND2 2.77Å
525	P	83.2	Confident	78.4	Confident	78 Å²	78	60.6 Å²	60.6	51%	0.506	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.8	161.9	176.5	28.2	-34.7	0	0	0	111.6	E527 N558	P525-E527 PolarHBondContact O-N 3.44Å; P525-N558 PolarHBondContact O-ND2 3.25Å; P525-N558 PolarHBondContact O-OD1 3.01Å
526	L	84.7	Confident	78.8	Confident	64 Å²	64	62.1 Å²	62.1	34%	0.335	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-67.7	117.4	168.1	172.6	61.6	0	0	0	109.5	Y539 F550	L526-Y539 HydrophobicContact CB-CD2 3.87Å; L526-Y539 HydrophobicContact CB-CE2 3.92Å; L526-Y539 HydrophobicContact CB-CG 4.39Å; L526-Y539 HydrophobicContact CD1-CD1 3.8Å; L526-Y539 HydrophobicContact CD1-CD2 4.04Å; L526-Y539 HydrophobicContact CD1-CE1 4.26Å; L526-Y539 HydrophobicContact CD1-CE2 4.48Å; L526-Y539 HydrophobicContact CD1-CG 3.68Å; L526-Y539 HydrophobicContact CD2-CD1 4.32Å; L526-Y539 HydrophobicContact CD2-CE1 3.92Å; L526-Y539 HydrophobicContact CD2-CE2 4.13Å; L526-Y539 HydrophobicContact CG-CD2 4.36Å; L526-Y539 HydrophobicContact CG-CE2 4.4Å; L526-Y539 HydrophobicContact CG-CG 4.44Å; L526-F550 HydrophobicContact CD1-CB 4.14Å; L526-F550 HydrophobicContact CD1-CD1 3.82Å; L526-F550 HydrophobicContact CD1-CD2 3.41Å; L526-F550 VanDerWaalsContact CD1-CD2 3.41Å; L526-F550 HydrophobicContact CD1-CE1 3.94Å; L526-F550 HydrophobicContact CD1-CE2 3.54Å; L526-F550 HydrophobicContact CD1-CG 3.54Å; L526-F550 HydrophobicContact CD1-CZ 3.79Å; L526-F550 HydrophobicContact CD2-CB 4.48Å; L526-F550 HydrophobicContact CG-CD2 4.48Å
527	E	85.3	Confident	79.8	Confident	89 Å²	89	61.2 Å²	61.2	42%	0.416	36%	0.361	S	S	.	.			trans	-108.5	117.1	170.6	-77.6	-64.5	161.9	0	0	110.3	P525 G529 F550 N558	P525-E527 PolarHBondContact O-N 3.44Å; E527-G529 PolarHBondContact O-N 3.21Å; E527-F550 WeakPolarHBondContact O-CE2 3.17Å; E527-N558 HydrophobicContact CG-CB 4.48Å; E527-N558 VanDerWaalsContact CG-ND2 3.32Å; E527-N558 WeakPolarHBondContact CG-ND2 3.1Å
528	S	85.5	Confident	81.1	Confident	69 Å²	69	63.2 Å²	63.2	48%	0.483	36%	0.363	S	S	.	.			trans	-72.6	-19.5	179.7	-62	0	0	0	0	112.1	Y552 G553	S528-Y552 CarbonylContact O-C 3.45Å; S528-Y552 WeakPolarHBondContact O-CA 3.46Å; S528-Y552 VanDerWaalsContact O-CD2 3.22Å; S528-Y552 WeakPolarHBondContact O-CD2 3.33Å; S528-G553 PolarHBondContact O-N 2.75Å
529	G	83.5	Confident	82.8	Confident	22 Å²	22	62.5 Å²	62.5	23%	0.227	34%	0.342	C	S	.	.			trans	74.9	167.8	-175.3	0	0	0	0	0	113.4	E527 V555	E527-G529 PolarHBondContact O-N 3.21Å; G529-V555 CarbonylContact C-O 3.55Å; G529-V555 WeakPolarHBondContact CA-O 3.44Å
530	D	77.1	Confident	84.1	Confident	117 Å²	117	58.2 Å²	58.2	63%	0.626	32%	0.322	S	S	*	.	S	Bend	trans	-114	13.6	-159.7	-131.5	22.1	0	0	0	113.4	V555 R556	D530-V555 HydrophobicContact CB-CG2 4.37Å; D530-V555 PolarHBondContact N-O 3.19Å; D530-R556 HydrophobicContact CB-CB 4.12Å; D530-R556 HydrophobicContact CB-CG 4.24Å; D530-R556 IonicContact OD2-CZ 3.7Å; D530-R556 IonicContact OD2-NH1 2.72Å; D530-R556 PolarHBondContact OD2-NH1 3.09Å
531	G	80.7	Confident	84.7	Confident	26 Å²	26	55.8 Å²	55.8	27%	0.268	31%	0.31	S	S	.	.	S	Bend	trans	-112.6	171.4	-177.9	0	0	0	0	0	113.6	A533 G553	G531-A533 VanDerWaalsContact C-N 3.32Å; G531-A533 PolarHBondContact O-N 3.32Å; G531-G553 CarbonylContact C-O 3.04Å; G531-G553 WeakPolarHBondContact CA-O 3.38Å; G531-G553 WeakPolarHBondContact O-CA 3.01Å
532	D	82.9	Confident	84.5	Confident	173 Å²	173	60.1 Å²	60.1	93%	0.925	33%	0.325	S	S	*	.	S	Bend	trans	-87.6	2.4	-176	-59	-37.4	0	0	0	113.7
533	A	82.4	Confident	83.8	Confident	24 Å²	24	66.4 Å²	66.4	20%	0.198	36%	0.363	C	S	.	.			trans	-71.8	144.6	177.3	0	0	0	0	0	110.1	E507 G531 L535 Y552 G553	E507-A533 HydrophobicContact CB-CB 4.01Å; E507-A533 HydrophobicContact CG-CB 4.38Å; G531-A533 VanDerWaalsContact C-N 3.32Å; G531-A533 PolarHBondContact O-N 3.32Å; A533-L535 HydrophobicContact CB-CD1 4.21Å; A533-L535 HydrophobicContact CB-CD2 4.41Å; A533-L535 HydrophobicContact CB-CG 3.89Å; A533-Y552 CarbonylContact O-C 3.56Å; A533-G553 WeakPolarHBondContact CB-O 3.19Å; A533-G553 PolarHBondContact N-O 3.5Å; A533-G553 VanDerWaalsContact N-O 3.16Å; A533-G553 WeakPolarHBondContact O-CA 3.03Å
534	M	85.4	Confident	83.3	Confident	155 Å²	155	66.4 Å²	66.4	76%	0.764	37%	0.368	S	S	*	.			trans	-110.6	65.2	172.7	-71.1	-158.4	-67.8	0	0	110.2	V536 F551	M534-V536 PolarHBondContact O-N 3.5Å; M534-F551 HydrophobicContact CB-CD1 4.46Å
535	L	86.5	Confident	82.8	Confident	44 Å²	44	68.6 Å²	68.6	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.9	-177.4	-56	175.6	0	0	0	109.6	E507 A533 R537 F551 Y552	E507-L535 HydrophobicContact CB-CD1 4.08Å; A533-L535 HydrophobicContact CB-CD1 4.21Å; A533-L535 HydrophobicContact CB-CD2 4.41Å; A533-L535 HydrophobicContact CB-CG 3.89Å; L535-R537 HydrophobicContact CB-CG 4.38Å; L535-R537 VanDerWaalsContact CD1-NH2 3.29Å; L535-R537 PolarHBondContact O-N 3.02Å; L535-F551 CarbonylContact O-C 3.59Å; L535-F551 WeakPolarHBondContact O-CA 3.31Å; L535-Y552 WeakPolarHBondContact CB-O 3.41Å; L535-Y552 HydrophobicContact CD1-CD1 4.21Å; L535-Y552 PolarHBondContact N-O 3.29Å; L535-Y552 PolarHBondContact O-N 3.01Å
536	V	89.4	Confident	82.7	Confident	63 Å²	63	72 Å²	72	38%	0.382	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.1	174.3	177.6	0	0	0	0	109	M534 R549 F551	M534-V536 PolarHBondContact O-N 3.5Å; V536-R549 HydrophobicContact CG1-CG 3.65Å; V536-F551 HydrophobicContact CG2-CD1 4.09Å; V536-F551 HydrophobicContact CG2-CE1 3.74Å
537	R	93.8	Very high	82.7	Confident	21 Å²	21	69.1 Å²	69.1	8%	0.079	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	169.8	-177.7	-62.5	-65.6	175.5	79.4	-2.6	110.6	V505 L535 R549 F550 Y552 N561 F562	V505-R537 PolarHBondContact O-NH1 3.13Å; V505-R537 VanDerWaalsContact O-NH1 3.13Å; V505-R537 PolarHBondContact O-NH2 2.79Å; L535-R537 HydrophobicContact CB-CG 4.38Å; L535-R537 VanDerWaalsContact CD1-NH2 3.29Å; L535-R537 PolarHBondContact O-N 3.02Å; R537-R549 CarbonylContact O-C 3.55Å; R537-R549 VanDerWaalsContact O-CA 3.32Å; R537-R549 WeakPolarHBondContact O-CA 3.45Å; R537-R549 WeakPolarHBondContact O-CG 3.47Å; R537-F550 HydrophobicContact CB-CD1 3.83Å; R537-F550 HydrophobicContact CB-CE1 3.36Å; R537-F550 HydrophobicContact CB-CZ 3.76Å; R537-F550 PolarHBondContact N-O 2.04Å; R537-F550 PolarHBondContact O-N 3.47Å; R537-Y552 HydrophobicContact CG-CD1 4.48Å; R537-Y552 HydrophobicContact CG-CG 4.41Å; R537-Y552 VanDerWaalsContact NH1-CD1 3.29Å; R537-N561 WeakPolarHBondContact CB-OD1 3.48Å; R537-N561 VanDerWaalsContact CD-OD1 3.23Å; R537-N561 WeakPolarHBondContact CD-OD1 3.39Å; R537-N561 WeakPolarHBondContact CG-OD1 3.2Å; R537-N561 PolarHBondContact NH1-OD1 2.93Å; R537-F562 CarbonylContact C-O 3.45Å; R537-F562 WeakPolarHBondContact CA-O 3.07Å
538	W	91.9	Very high	82.8	Confident	61 Å²	61	67.6 Å²	67.6	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.2	177.5	-63.8	80.2	0	0	0	109.2	N548 R549 F562 K565 C568	W538-N548 CarbonylContact C-O 3.45Å; W538-N548 VanDerWaalsContact CA-O 3.25Å; W538-N548 WeakPolarHBondContact CA-O 3.41Å; W538-R549 HydrophobicContact CD2-CB 4.17Å; W538-R549 HydrophobicContact CD2-CG 4.49Å; W538-R549 HydrophobicContact CE3-CB 4.04Å; W538-R549 HydrophobicContact CH2-CB 4.06Å; W538-R549 HydrophobicContact CZ2-CB 4.18Å; W538-R549 HydrophobicContact CZ2-CG 4.28Å; W538-R549 HydrophobicContact CZ3-CB 3.99Å; W538-F562 HydrophobicContact CB-CB 4.18Å; W538-F562 PolarHBondContact N-O 3.3Å; W538-F562 WeakPolarHBondContact O-CB 3.27Å; W538-F562 VanDerWaalsContact O-CD2 3.3Å; W538-F562 WeakPolarHBondContact O-CD2 3.02Å; W538-F562 PolarHBondContact O-N 3.12Å; W538-K565 HydrophobicContact CD2-CB 3.57Å; W538-K565 HydrophobicContact CD2-CG 4.06Å; W538-K565 HydrophobicContact CE3-CB 3.7Å; W538-K565 HydrophobicContact CE3-CD 4.15Å; W538-K565 HydrophobicContact CE3-CG 3.63Å; W538-K565 HydrophobicContact CG-CB 4.21Å; W538-K565 HydrophobicContact CH2-CB 3.89Å; W538-K565 HydrophobicContact CH2-CD 3.73Å; W538-K565 HydrophobicContact CH2-CG 4Å; W538-K565 HydrophobicContact CZ2-CB 3.76Å; W538-K565 HydrophobicContact CZ2-CD 4.44Å; W538-K565 HydrophobicContact CZ2-CG 4.39Å; W538-K565 HydrophobicContact CZ3-CB 3.86Å; W538-K565 HydrophobicContact CZ3-CD 3.57Å; W538-K565 HydrophobicContact CZ3-CG 3.6Å; W538-C568 HydrophobicContact CB-CB 4.04Å
539	Y	91.8	Very high	83.1	Confident	42 Å²	42	71.5 Å²	71.5	17%	0.165	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.3	174.6	79.5	-76.2	0	0	0	109.4	L526 D541 C547 N548 F550 N560	L526-Y539 HydrophobicContact CB-CD2 3.87Å; L526-Y539 HydrophobicContact CB-CE2 3.92Å; L526-Y539 HydrophobicContact CB-CG 4.39Å; L526-Y539 HydrophobicContact CD1-CD1 3.8Å; L526-Y539 HydrophobicContact CD1-CD2 4.04Å; L526-Y539 HydrophobicContact CD1-CE1 4.26Å; L526-Y539 HydrophobicContact CD1-CE2 4.48Å; L526-Y539 HydrophobicContact CD1-CG 3.68Å; L526-Y539 HydrophobicContact CD2-CD1 4.32Å; L526-Y539 HydrophobicContact CD2-CE1 3.92Å; L526-Y539 HydrophobicContact CD2-CE2 4.13Å; L526-Y539 HydrophobicContact CG-CD2 4.36Å; L526-Y539 HydrophobicContact CG-CE2 4.4Å; L526-Y539 HydrophobicContact CG-CG 4.44Å; Y539-D541 HydrophobicContact CE2-CB 3.83Å; Y539-C547 CarbonylContact O-C 3.57Å; Y539-C547 WeakPolarHBondContact O-CA 3.07Å; Y539-N548 HydrophobicContact CD1-CB 4.21Å; Y539-N548 WeakPolarHBondContact CD1-O 3.27Å; Y539-N548 HydrophobicContact CE1-CB 3.63Å; Y539-N548 PolarHBondContact N-O 3.25Å; Y539-N548 PolarHBondContact O-N 2.96Å; Y539-F550 HydrophobicContact CD1-CB 4.06Å; Y539-F550 AromaticContact CD1-CD1 3.69Å; Y539-F550 HydrophobicContact CD1-CD1 3.69Å; Y539-F550 HydrophobicContact CD1-CE1 4.43Å; Y539-F550 HydrophobicContact CD1-CG 4.14Å; Y539-F550 HydrophobicContact CE1-CB 4.23Å; Y539-F550 HydrophobicContact CG-CD1 4.25Å; Y539-N560 WeakPolarHBondContact CA-OD1 3.35Å; Y539-N560 WeakPolarHBondContact CB-O 3.47Å
540	F	86.6	Confident	83.5	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.009	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.4	173.4	-172.8	-102.8	0	0	0	109.3	C522 R542 R545 N560 C572	C522-F540 HydrophobicContact CB-CB 4.48Å; C522-F540 HydrophobicContact CB-CD1 3.8Å; C522-F540 HydrophobicContact CB-CE1 4.31Å; C522-F540 HydrophobicContact CB-CG 4.25Å; C522-F540 WeakPolarHBondContact O-CD1 3.34Å; F540-R542 HydrophobicContact CD1-CG 4.3Å; F540-R542 PolarHBondContact O-N 3.12Å; F540-R545 HydrophobicContact CZ-CB 4.1Å; F540-N560 PolarHBondContact N-OD1 3.21Å; F540-N560 PolarHBondContact O-ND2 3.09Å; F540-C572 HydrophobicContact CB-CB 3.81Å; F540-C572 HydrophobicContact CD1-CB 4.21Å; F540-C572 HydrophobicContact CD2-CB 3.29Å; F540-C572 HydrophobicContact CE2-CB 3.81Å; F540-C572 HydrophobicContact CG-CB 3.5Å; F540-C572 VanDerWaalsContact CG-CB 3.5Å; F540-C572 HydrophobicContact CZ-CB 4.45Å
541	D	83.9	Confident	84	Confident	35 Å²	35	71.4 Å²	71.4	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.2	171.8	173.5	2.2	0	0	0	108.8	Y539 T543 S544 R545 R546 N548	Y539-D541 HydrophobicContact CE2-CB 3.83Å; D541-T543 VanDerWaalsContact C-N 3.32Å; D541-T543 PolarHBondContact O-N 2.03Å; D541-T543 WeakPolarHBondContact OD1-CB 3.29Å; D541-T543 PolarHBondContact OD1-N 3.41Å; D541-S544 WeakPolarHBondContact CB-OG 3.47Å; D541-S544 PolarHBondContact OD1-N 3.41Å; D541-S544 WeakPolarHBondContact OD2-CB 3.4Å; D541-S544 PolarHBondContact OD2-OG 2.93Å; D541-R545 CarbonylContact O-C 3.31Å; D541-R545 WeakPolarHBondContact O-CA 3.3Å; D541-R545 PolarHBondContact O-N 3.25Å; D541-R546 PolarHBondContact N-O 3.07Å; D541-R546 PolarHBondContact O-N 3.45Å; D541-N548 WeakPolarHBondContact CB-ND2 3.39Å; D541-N548 PolarHBondContact OD2-ND2 2.84Å
542	R	74.8	Confident	84.5	Confident	97 Å²	97	70.2 Å²	70.2	37%	0.366	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.4	-178.8	-67.6	170.4	66.4	-163.4	-8.2	112.8	C522 L523 F540 R545 H589 G590	C522-R542 WeakPolarHBondContact O-CD 3.04Å; C522-R542 WeakPolarHBondContact O-CG 3.19Å; L523-R542 WeakPolarHBondContact O-CD 3.27Å; L523-R542 PolarHBondContact O-NH1 3.44Å; F540-R542 HydrophobicContact CD1-CG 4.3Å; F540-R542 PolarHBondContact O-N 3.12Å; R542-R545 WeakPolarHBondContact O-CD 3.45Å; R542-R545 WeakPolarHBondContact O-CG 3.47Å; R542-H589 PolarHBondContact NH2-O 3.12Å; R542-G590 VanDerWaalsContact NH2-CA 3.28Å
543	T	68	Low	84.6	Confident	137 Å²	137	62.4 Å²	62.4	84%	0.84	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-46.7	-177.8	-50.8	0	0	0	0	110.2	D541	D541-T543 VanDerWaalsContact C-N 3.32Å; D541-T543 PolarHBondContact O-N 2.03Å; D541-T543 WeakPolarHBondContact OD1-CB 3.29Å; D541-T543 PolarHBondContact OD1-N 3.41Å
544	S	70.8	Confident	84.8	Confident	48 Å²	48	61.2 Å²	61.2	34%	0.336	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.4	175.4	66.6	0	0	0	0	114.1	D541 R546	D541-S544 WeakPolarHBondContact CB-OG 3.47Å; D541-S544 PolarHBondContact OD1-N 3.41Å; D541-S544 WeakPolarHBondContact OD2-CB 3.4Å; D541-S544 PolarHBondContact OD2-OG 2.93Å; S544-R546 WeakPolarHBondContact O-CG 3.48Å; S544-R546 PolarHBondContact O-N 3.48Å
545	R	71.2	Confident	84.7	Confident	73 Å²	73	55.4 Å²	55.4	28%	0.275	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	38.6	-173.1	-66.4	-73.7	-62.6	177.4	8.2	112.6	F540 D541 R542 P573 E574	F540-R545 HydrophobicContact CZ-CB 4.1Å; D541-R545 CarbonylContact O-C 3.31Å; D541-R545 WeakPolarHBondContact O-CA 3.3Å; D541-R545 PolarHBondContact O-N 3.25Å; R542-R545 WeakPolarHBondContact O-CD 3.45Å; R542-R545 WeakPolarHBondContact O-CG 3.47Å; R545-P573 PolarHBondContact NH2-O 3.39Å; R545-E574 WeakPolarHBondContact O-CG 2.88Å
546	R	79.4	Confident	84.2	Confident	150 Å²	150	61.8 Å²	61.8	57%	0.566	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.6	-176.1	-71.8	174.8	-174	-149.8	-0.4	112.2	D541 S544 N548	D541-R546 PolarHBondContact N-O 3.07Å; D541-R546 PolarHBondContact O-N 3.45Å; S544-R546 WeakPolarHBondContact O-CG 3.48Å; S544-R546 PolarHBondContact O-N 3.48Å; R546-N548 PolarHBondContact O-N 3.46Å
547	C	85.7	Confident	83.8	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	108.5	172.2	-77.3	0	0	0	0	111.3	Y539 K565 C568 M569	Y539-C547 CarbonylContact O-C 3.57Å; Y539-C547 WeakPolarHBondContact O-CA 3.07Å; C547-K565 HydrophobicContact CB-CG 4.36Å; C547-C568 HydrophobicContact CB-CB 3.82Å; C547-C568 WeakPolarHBondContact CB-SG 3.49Å; C547-C568 WeakPolarHBondContact SG-CB 3.03Å; C547-C568 CovalentContact SG-SG 2.04Å; C547-C568 PolarHBondContact SG-SG 3.5Å; C547-M569 HydrophobicContact CB-CG 4.09Å; C547-M569 PolarHBondContact SG-N 2.93Å; C547-M569 VanDerWaalsContact SG-N 3.45Å
548	N	88.1	Confident	83.3	Confident	57 Å²	57	59.8 Å²	59.8	31%	0.305	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	154.4	-178.4	-69.9	-34	0	0	0	111.5	W538 Y539 D541 R546	W538-N548 CarbonylContact C-O 3.45Å; W538-N548 VanDerWaalsContact CA-O 3.25Å; W538-N548 WeakPolarHBondContact CA-O 3.41Å; Y539-N548 HydrophobicContact CD1-CB 4.21Å; Y539-N548 WeakPolarHBondContact CD1-O 3.27Å; Y539-N548 HydrophobicContact CE1-CB 3.63Å; Y539-N548 PolarHBondContact N-O 3.25Å; Y539-N548 PolarHBondContact O-N 2.96Å; D541-N548 WeakPolarHBondContact CB-ND2 3.39Å; D541-N548 PolarHBondContact OD2-ND2 2.84Å; R546-N548 PolarHBondContact O-N 3.46Å
549	R	90.7	Very high	83.1	Confident	151 Å²	151	58.1 Å²	58.1	57%	0.57	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	140	-179.1	-171	-179.6	72.3	141.1	-2.7	110.7	V536 R537 W538	V536-R549 HydrophobicContact CG1-CG 3.65Å; R537-R549 CarbonylContact O-C 3.55Å; R537-R549 VanDerWaalsContact O-CA 3.32Å; R537-R549 WeakPolarHBondContact O-CA 3.45Å; R537-R549 WeakPolarHBondContact O-CG 3.47Å; W538-R549 HydrophobicContact CD2-CB 4.17Å; W538-R549 HydrophobicContact CD2-CG 4.49Å; W538-R549 HydrophobicContact CE3-CB 4.04Å; W538-R549 HydrophobicContact CH2-CB 4.06Å; W538-R549 HydrophobicContact CZ2-CB 4.18Å; W538-R549 HydrophobicContact CZ2-CG 4.28Å; W538-R549 HydrophobicContact CZ3-CB 3.99Å
550	F	91.8	Very high	83	Confident	18 Å²	18	56.1 Å²	56.1	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	173.3	175.3	80.6	-75.1	0	0	0	112.3	L526 E527 R537 Y539 Y552 N561	L526-F550 HydrophobicContact CD1-CB 4.14Å; L526-F550 HydrophobicContact CD1-CD1 3.82Å; L526-F550 HydrophobicContact CD1-CD2 3.41Å; L526-F550 VanDerWaalsContact CD1-CD2 3.41Å; L526-F550 HydrophobicContact CD1-CE1 3.94Å; L526-F550 HydrophobicContact CD1-CE2 3.54Å; L526-F550 HydrophobicContact CD1-CG 3.54Å; L526-F550 HydrophobicContact CD1-CZ 3.79Å; L526-F550 HydrophobicContact CD2-CB 4.48Å; L526-F550 HydrophobicContact CG-CD2 4.48Å; E527-F550 WeakPolarHBondContact O-CE2 3.17Å; R537-F550 HydrophobicContact CB-CD1 3.83Å; R537-F550 HydrophobicContact CB-CE1 3.36Å; R537-F550 HydrophobicContact CB-CZ 3.76Å; R537-F550 PolarHBondContact N-O 2.04Å; R537-F550 PolarHBondContact O-N 3.47Å; Y539-F550 HydrophobicContact CD1-CB 4.06Å; Y539-F550 AromaticContact CD1-CD1 3.69Å; Y539-F550 HydrophobicContact CD1-CD1 3.69Å; Y539-F550 HydrophobicContact CD1-CE1 4.43Å; Y539-F550 HydrophobicContact CD1-CG 4.14Å; Y539-F550 HydrophobicContact CE1-CB 4.23Å; Y539-F550 HydrophobicContact CG-CD1 4.25Å; F550-Y552 HydrophobicContact CE2-CD2 4.23Å; F550-Y552 HydrophobicContact CE2-CG 4.41Å; F550-N561 HydrophobicContact CZ-CB 4.2Å
551	F	89	Confident	83.2	Confident	119 Å²	119	56.9 Å²	56.9	52%	0.522	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.5	173.2	-66.5	-74.1	0	0	0	110.2	M534 L535 V536	M534-F551 HydrophobicContact CB-CD1 4.46Å; L535-F551 CarbonylContact O-C 3.59Å; L535-F551 WeakPolarHBondContact O-CA 3.31Å; V536-F551 HydrophobicContact CG2-CD1 4.09Å; V536-F551 HydrophobicContact CG2-CE1 3.74Å
552	Y	90.1	Very high	83.5	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.1	-178.5	177.3	-120.6	0	0	0	111.6	H504 S528 A533 L535 R537 F550 G554 V555 R556 G557 N561	H504-Y552 PolarHBondContact CD2-OH 3.39Å; H504-Y552 AromaticContact NE2-CZ 3.84Å; H504-Y552 PolarHBondContact NE2-OH 3.45Å; S528-Y552 CarbonylContact O-C 3.45Å; S528-Y552 WeakPolarHBondContact O-CA 3.46Å; S528-Y552 VanDerWaalsContact O-CD2 3.22Å; S528-Y552 WeakPolarHBondContact O-CD2 3.33Å; A533-Y552 CarbonylContact O-C 3.56Å; L535-Y552 WeakPolarHBondContact CB-O 3.41Å; L535-Y552 HydrophobicContact CD1-CD1 4.21Å; L535-Y552 PolarHBondContact N-O 3.29Å; L535-Y552 PolarHBondContact O-N 3.01Å; R537-Y552 HydrophobicContact CG-CD1 4.48Å; R537-Y552 HydrophobicContact CG-CG 4.41Å; R537-Y552 VanDerWaalsContact NH1-CD1 3.29Å; F550-Y552 HydrophobicContact CE2-CD2 4.23Å; F550-Y552 HydrophobicContact CE2-CG 4.41Å; Y552-G554 VanDerWaalsContact CE1-C 3.48Å; Y552-G554 PolarHBondContact O-N 2.8Å; Y552-G554 VanDerWaalsContact O-N 3.17Å; Y552-V555 WeakPolarHBondContact OH-CA 3.41Å; Y552-V555 PolarHBondContact OH-N 3.48Å; Y552-V555 PolarHBondContact OH-O 3.21Å; Y552-R556 PolarHBondContact OH-N 3.16Å; Y552-G557 WeakPolarHBondContact OH-CA 3.48Å; Y552-G557 PolarHBondContact OH-N 2.83Å; Y552-N561 VanDerWaalsContact CD1-ND2 3.26Å; Y552-N561 WeakPolarHBondContact CD1-ND2 3.49Å; Y552-N561 VanDerWaalsContact CD2-ND2 3.26Å; Y552-N561 WeakPolarHBondContact CD2-ND2 3.14Å; Y552-N561 WeakPolarHBondContact CE1-ND2 3.31Å; Y552-N561 WeakPolarHBondContact CE2-ND2 3.18Å
553	G	86.2	Confident	84	Confident	9 Å²	9	55.2 Å²	55.2	9%	0.093	26%	0.264	C	S	.	.			trans	-64.7	-11.2	-178.3	0	0	0	0	0	115.5	S528 G531 A533	S528-G553 PolarHBondContact O-N 2.75Å; G531-G553 CarbonylContact C-O 3.04Å; G531-G553 WeakPolarHBondContact CA-O 3.38Å; G531-G553 WeakPolarHBondContact O-CA 3.01Å; A533-G553 WeakPolarHBondContact CB-O 3.19Å; A533-G553 PolarHBondContact N-O 3.5Å; A533-G553 VanDerWaalsContact N-O 3.16Å; A533-G553 WeakPolarHBondContact O-CA 3.03Å
554	G	85	Confident	84.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	92.9	-15.2	176.6	0	0	0	0	0	115.1	H504 G506 E507 Y552	H504-G554 PolarHBondContact CE1-O 3.13Å; G506-G554 CarbonylContact C-O 3.56Å; G506-G554 WeakPolarHBondContact CA-O 3.17Å; E507-G554 PolarHBondContact N-O 3.44Å; Y552-G554 VanDerWaalsContact CE1-C 3.48Å; Y552-G554 PolarHBondContact O-N 2.8Å; Y552-G554 VanDerWaalsContact O-N 3.17Å
555	V	84.5	Confident	85.5	Confident	33 Å²	33	52.3 Å²	52.3	20%	0.2	24%	0.238	C	C	.	.	S	Bend	trans	-139.6	156.4	175.2	-68.5	0	0	0	0	111.5	V511 G529 D530 Y552 G557	V511-V555 HydrophobicContact CB-CG1 4Å; V511-V555 HydrophobicContact CG1-CG1 3.96Å; V511-V555 HydrophobicContact CG2-CG1 3.74Å; G529-V555 CarbonylContact C-O 3.55Å; G529-V555 WeakPolarHBondContact CA-O 3.44Å; D530-V555 HydrophobicContact CB-CG2 4.37Å; D530-V555 PolarHBondContact N-O 3.19Å; Y552-V555 WeakPolarHBondContact OH-CA 3.41Å; Y552-V555 PolarHBondContact OH-N 3.48Å; Y552-V555 PolarHBondContact OH-O 3.21Å; V555-G557 PolarHBondContact O-N 3.46Å
556	R	76.1	Confident	85.9	Confident	178 Å²	178	53.3 Å²	53.3	67%	0.672	25%	0.253	S	S	*	.	S	Bend	trans	59.9	34.9	174.6	-54.3	-168.5	-178.2	107.5	6.7	115.4	D530 Y552	D530-R556 HydrophobicContact CB-CB 4.12Å; D530-R556 HydrophobicContact CB-CG 4.24Å; D530-R556 IonicContact OD2-CZ 3.7Å; D530-R556 IonicContact OD2-NH1 2.72Å; D530-R556 PolarHBondContact OD2-NH1 3.09Å; Y552-R556 PolarHBondContact OH-N 3.16Å
557	G	79.3	Confident	86	Confident	15 Å²	15	49.7 Å²	49.7	16%	0.155	25%	0.245	C	C	.	.			trans	-89.8	175	166	0	0	0	0	0	112.6	Y552 V555	Y552-G557 WeakPolarHBondContact OH-CA 3.48Å; Y552-G557 PolarHBondContact OH-N 2.83Å; V555-G557 PolarHBondContact O-N 3.46Å
558	N	84.4	Confident	86.1	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.144	24%	0.244	C	C	.	.			trans	-111.4	-173.1	174.1	67.6	26.3	0	0	0	111.3	W502 L524 P525 E527 N560 N561	W502-N558 WeakPolarHBondContact CH2-O 3.4Å; L524-N558 HydrophobicContact CD1-CB 4.06Å; P525-N558 PolarHBondContact O-ND2 3.25Å; P525-N558 PolarHBondContact O-OD1 3.01Å; E527-N558 HydrophobicContact CG-CB 4.48Å; E527-N558 VanDerWaalsContact CG-ND2 3.32Å; E527-N558 WeakPolarHBondContact CG-ND2 3.1Å; N558-N560 VanDerWaalsContact C-N 3.27Å; N558-N560 PolarHBondContact O-N 2.96Å; N558-N560 WeakPolarHBondContact OD1-CB 3.05Å; N558-N560 PolarHBondContact OD1-N 3.28Å; N558-N561 WeakPolarHBondContact O-CB 3.3Å
559	E	87.1	Confident	85.7	Confident	25 Å²	25	50.7 Å²	50.7	12%	0.117	25%	0.248	C	C	.	.	S	Bend	trans	-69.8	-16.4	-176.2	-57.6	-172.8	-155	0	0	114.3	W502 G517 G518 P521 L524 N561	W502-E559 HydrophobicContact CB-CG 3.89Å; W502-E559 HydrophobicContact CD2-CB 4.45Å; W502-E559 HydrophobicContact CD2-CG 3.48Å; W502-E559 VanDerWaalsContact CD2-CG 3.48Å; W502-E559 HydrophobicContact CE3-CB 4.49Å; W502-E559 HydrophobicContact CE3-CG 3.96Å; W502-E559 HydrophobicContact CG-CG 3.42Å; W502-E559 VanDerWaalsContact CG-CG 3.42Å; W502-E559 HydrophobicContact CZ2-CG 4.46Å; G517-E559 VanDerWaalsContact CA-OE1 3.27Å; G517-E559 WeakPolarHBondContact CA-OE1 3.4Å; G518-E559 PolarHBondContact N-OE1 2.95Å; P521-E559 HydrophobicContact CB-CB 3.78Å; P521-E559 WeakPolarHBondContact CB-O 3.34Å; P521-E559 HydrophobicContact CG-CB 3.91Å; L524-E559 HydrophobicContact CD1-CB 3.64Å; L524-E559 HydrophobicContact CD1-CG 4.16Å; E559-N561 PolarHBondContact O-N 3.15Å
560	N	90	Very high	85.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.258	C	S	.	.			trans	-77.6	48.1	176.6	-161.4	6	0	0	0	111.7	P521 L524 Y539 F540 N558 F562	P521-N560 VanDerWaalsContact O-CB 3.26Å; P521-N560 WeakPolarHBondContact O-CB 3.33Å; L524-N560 HydrophobicContact CB-CB 4.06Å; L524-N560 PolarHBondContact O-ND2 2.77Å; Y539-N560 WeakPolarHBondContact CA-OD1 3.35Å; Y539-N560 WeakPolarHBondContact CB-O 3.47Å; F540-N560 PolarHBondContact N-OD1 3.21Å; F540-N560 PolarHBondContact O-ND2 3.09Å; N558-N560 VanDerWaalsContact C-N 3.27Å; N558-N560 PolarHBondContact O-N 2.96Å; N558-N560 WeakPolarHBondContact OD1-CB 3.05Å; N558-N560 PolarHBondContact OD1-N 3.28Å; N560-F562 WeakPolarHBondContact OD1-CE2 3.4Å
561	N	90.7	Very high	84.4	Confident	18 Å²	18	57.4 Å²	57.4	10%	0.096	28%	0.283	C	S	.	.			trans	-142.1	88.9	-171.7	-177.2	-18.1	0	0	0	108.9	R537 F550 Y552 N558 E559	R537-N561 WeakPolarHBondContact CB-OD1 3.48Å; R537-N561 VanDerWaalsContact CD-OD1 3.23Å; R537-N561 WeakPolarHBondContact CD-OD1 3.39Å; R537-N561 WeakPolarHBondContact CG-OD1 3.2Å; R537-N561 PolarHBondContact NH1-OD1 2.93Å; F550-N561 HydrophobicContact CZ-CB 4.2Å; Y552-N561 VanDerWaalsContact CD1-ND2 3.26Å; Y552-N561 WeakPolarHBondContact CD1-ND2 3.49Å; Y552-N561 VanDerWaalsContact CD2-ND2 3.26Å; Y552-N561 WeakPolarHBondContact CD2-ND2 3.14Å; Y552-N561 WeakPolarHBondContact CE1-ND2 3.31Å; Y552-N561 WeakPolarHBondContact CE2-ND2 3.18Å; N558-N561 WeakPolarHBondContact O-CB 3.3Å; E559-N561 PolarHBondContact O-N 3.15Å
562	F	89.7	Confident	84	Confident	21 Å²	21	51.8 Å²	51.8	9%	0.092	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-98.6	141.3	-175.5	-54.9	-81	0	0	0	111.4	P521 R537 W538 N560 S564 D567 C568 R571	P521-F562 HydrophobicContact CB-CE1 4.42Å; P521-F562 HydrophobicContact CB-CZ 3.85Å; R537-F562 CarbonylContact C-O 3.45Å; R537-F562 WeakPolarHBondContact CA-O 3.07Å; W538-F562 HydrophobicContact CB-CB 4.18Å; W538-F562 PolarHBondContact N-O 3.3Å; W538-F562 WeakPolarHBondContact O-CB 3.27Å; W538-F562 VanDerWaalsContact O-CD2 3.3Å; W538-F562 WeakPolarHBondContact O-CD2 3.02Å; W538-F562 PolarHBondContact O-N 3.12Å; N560-F562 WeakPolarHBondContact OD1-CE2 3.4Å; F562-S564 VanDerWaalsContact C-N 3.34Å; F562-D567 HydrophobicContact CB-CB 4.32Å; F562-D567 HydrophobicContact CD1-CB 4.37Å; F562-C568 HydrophobicContact CB-CB 3.92Å; F562-C568 HydrophobicContact CD2-CB 3.49Å; F562-C568 VanDerWaalsContact CD2-CB 3.49Å; F562-C568 HydrophobicContact CE2-CB 4.1Å; F562-C568 HydrophobicContact CG-CB 3.73Å; F562-R571 HydrophobicContact CE1-CB 3.75Å; F562-R571 HydrophobicContact CE1-CG 4.01Å; F562-R571 HydrophobicContact CZ-CB 4.08Å; F562-R571 HydrophobicContact CZ-CG 4.32Å
563	V	85.5	Confident	83	Confident	76 Å²	76	55.8 Å²	55.8	46%	0.461	29%	0.285	S	S	.	.	S	Bend	trans	-70.6	-32.6	179.1	-176.8	0	0	0	0	111.3	A491	A491-V563 HydrophobicContact CB-CG2 4.25Å
564	S	87.5	Confident	82.1	Confident	35 Å²	35	59.9 Å²	59.9	25%	0.245	30%	0.302	C	S	.	.	S	Bend	trans	-131.9	157	178.6	80.2	0	0	0	0	113.2	F562 T566 D567 C568	F562-S564 VanDerWaalsContact C-N 3.34Å; S564-T566 PolarHBondContact O-N 2.98Å; S564-T566 PolarHBondContact OG-N 2.95Å; S564-D567 WeakPolarHBondContact CB-OD2 3.49Å; S564-D567 PolarHBondContact N-OD2 3.49Å; S564-D567 PolarHBondContact O-N 3.38Å; S564-D567 PolarHBondContact OG-N 3.42Å; S564-D567 PolarHBondContact OG-OD1 3Å; S564-D567 PolarHBondContact OG-OD2 2.77Å; S564-C568 PolarHBondContact O-N 2.84Å; S564-C568 VanDerWaalsContact O-N 3.13Å
565	K	83.2	Confident	81.2	Confident	88 Å²	88	62.7 Å²	62.7	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-39	172.5	-169.1	179.9	-177	-176.5	0	110.9	W538 C547 C568 M569	W538-K565 HydrophobicContact CD2-CB 3.57Å; W538-K565 HydrophobicContact CD2-CG 4.06Å; W538-K565 HydrophobicContact CE3-CB 3.7Å; W538-K565 HydrophobicContact CE3-CD 4.15Å; W538-K565 HydrophobicContact CE3-CG 3.63Å; W538-K565 HydrophobicContact CG-CB 4.21Å; W538-K565 HydrophobicContact CH2-CB 3.89Å; W538-K565 HydrophobicContact CH2-CD 3.73Å; W538-K565 HydrophobicContact CH2-CG 4Å; W538-K565 HydrophobicContact CZ2-CB 3.76Å; W538-K565 HydrophobicContact CZ2-CD 4.44Å; W538-K565 HydrophobicContact CZ2-CG 4.39Å; W538-K565 HydrophobicContact CZ3-CB 3.86Å; W538-K565 HydrophobicContact CZ3-CD 3.57Å; W538-K565 HydrophobicContact CZ3-CG 3.6Å; C547-K565 HydrophobicContact CB-CG 4.36Å; K565-C568 WeakPolarHBondContact O-CB 3.35Å; K565-C568 PolarHBondContact O-N 3.13Å; K565-M569 HydrophobicContact CG-CG 4.3Å; K565-M569 HydrophobicContact CG-SD 4.41Å; K565-M569 WeakPolarHBondContact O-CG 3.26Å; K565-M569 PolarHBondContact O-N 2.85Å
566	T	79.1	Confident	80.5	Confident	95 Å²	95	67.9 Å²	67.9	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-63.5	-42.8	-179.9	-50.1	0	0	0	0	111	S564 C568 M569 L570	S564-T566 PolarHBondContact O-N 2.98Å; S564-T566 PolarHBondContact OG-N 2.95Å; T566-C568 VanDerWaalsContact C-N 3.32Å; T566-C568 PolarHBondContact O-N 3.4Å; T566-M569 PolarHBondContact O-N 3.39Å; T566-L570 VanDerWaalsContact O-CB 3.26Å; T566-L570 WeakPolarHBondContact O-CB 3.11Å; T566-L570 PolarHBondContact O-N 3.5Å
567	D	82.8	Confident	80.5	Confident	74 Å²	74	62.2 Å²	62.2	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-41.3	176.4	-57.6	-36.8	0	0	0	111.1	F562 S564 L570 R571	F562-D567 HydrophobicContact CB-CB 4.32Å; F562-D567 HydrophobicContact CD1-CB 4.37Å; S564-D567 WeakPolarHBondContact CB-OD2 3.49Å; S564-D567 PolarHBondContact N-OD2 3.49Å; S564-D567 PolarHBondContact O-N 3.38Å; S564-D567 PolarHBondContact OG-N 3.42Å; S564-D567 PolarHBondContact OG-OD1 3Å; S564-D567 PolarHBondContact OG-OD2 2.77Å; D567-L570 PolarHBondContact O-N 3.25Å; D567-R571 WeakPolarHBondContact O-CB 3.38Å; D567-R571 PolarHBondContact O-N 2.81Å
568	C	87.7	Confident	80.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-49.8	173.6	-178.8	0	0	0	0	111.5	W538 C547 F562 S564 K565 T566 L570 R571 C572	W538-C568 HydrophobicContact CB-CB 4.04Å; C547-C568 HydrophobicContact CB-CB 3.82Å; C547-C568 WeakPolarHBondContact CB-SG 3.49Å; C547-C568 WeakPolarHBondContact SG-CB 3.03Å; C547-C568 CovalentContact SG-SG 2.04Å; C547-C568 PolarHBondContact SG-SG 3.5Å; F562-C568 HydrophobicContact CB-CB 3.92Å; F562-C568 HydrophobicContact CD2-CB 3.49Å; F562-C568 VanDerWaalsContact CD2-CB 3.49Å; F562-C568 HydrophobicContact CE2-CB 4.1Å; F562-C568 HydrophobicContact CG-CB 3.73Å; S564-C568 PolarHBondContact O-N 2.84Å; S564-C568 VanDerWaalsContact O-N 3.13Å; K565-C568 WeakPolarHBondContact O-CB 3.35Å; K565-C568 PolarHBondContact O-N 3.13Å; T566-C568 VanDerWaalsContact C-N 3.32Å; T566-C568 PolarHBondContact O-N 3.4Å; C568-L570 PolarHBondContact O-N 3.18Å; C568-R571 PolarHBondContact O-N 3.13Å; C568-C572 WeakPolarHBondContact O-CA 3.26Å; C568-C572 VanDerWaalsContact O-CB 3.31Å; C568-C572 WeakPolarHBondContact O-CB 3.17Å; C568-C572 PolarHBondContact O-N 2.74Å
569	M	79.7	Confident	80.6	Confident	80 Å²	80	60.7 Å²	60.7	39%	0.394	31%	0.31	S	S	.	.	H	α-helix	trans	-68.8	-32.2	-178.7	-67.8	-164.2	-49.7	0	0	112.9	C547 K565 T566	C547-M569 HydrophobicContact CB-CG 4.09Å; C547-M569 PolarHBondContact SG-N 2.93Å; C547-M569 VanDerWaalsContact SG-N 3.45Å; K565-M569 HydrophobicContact CG-CG 4.3Å; K565-M569 HydrophobicContact CG-SD 4.41Å; K565-M569 WeakPolarHBondContact O-CG 3.26Å; K565-M569 PolarHBondContact O-N 2.85Å; T566-M569 PolarHBondContact O-N 3.39Å
570	L	77.3	Confident	80.5	Confident	147 Å²	147	63.1 Å²	63.1	77%	0.77	32%	0.322	S	S	*	.	H	α-helix	trans	-67.6	-39.3	175.4	-170.3	92.6	0	0	0	111.1	T566 D567 C568	T566-L570 VanDerWaalsContact O-CB 3.26Å; T566-L570 WeakPolarHBondContact O-CB 3.11Å; T566-L570 PolarHBondContact O-N 3.5Å; D567-L570 PolarHBondContact O-N 3.25Å; C568-L570 PolarHBondContact O-N 3.18Å
571	R	78.3	Confident	79.8	Confident	163 Å²	163	69.6 Å²	69.6	62%	0.615	35%	0.352	S	S	*	.	H	α-helix	trans	-84.1	-31.5	-179.8	-156.7	68.5	169.7	-155.6	-2.1	112.9	P521 C522 F562 D567 C568	P521-R571 HydrophobicContact CG-CG 4.3Å; C522-R571 PolarHBondContact SG-O 3.47Å; C522-R571 VanDerWaalsContact SG-O 3.35Å; F562-R571 HydrophobicContact CE1-CB 3.75Å; F562-R571 HydrophobicContact CE1-CG 4.01Å; F562-R571 HydrophobicContact CZ-CB 4.08Å; F562-R571 HydrophobicContact CZ-CG 4.32Å; D567-R571 WeakPolarHBondContact O-CB 3.38Å; D567-R571 PolarHBondContact O-N 2.81Å; C568-R571 PolarHBondContact O-N 3.13Å
572	C	80.2	Confident	78.9	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	37%	0.365	C	S	.	.	S	Bend	trans	-130.7	87.1	-173.8	-53	0	0	0	0	111.8	C522 F540 C568	C522-C572 VanDerWaalsContact CA-SG 3.52Å; C522-C572 HydrophobicContact CB-CB 3.83Å; C522-C572 WeakPolarHBondContact CB-SG 3.26Å; C522-C572 WeakPolarHBondContact SG-CA 3.46Å; C522-C572 WeakPolarHBondContact SG-CB 3.44Å; C522-C572 CovalentContact SG-SG 2.02Å; C522-C572 PolarHBondContact SG-SG 2.9Å; F540-C572 HydrophobicContact CB-CB 3.81Å; F540-C572 HydrophobicContact CD1-CB 4.21Å; F540-C572 HydrophobicContact CD2-CB 3.29Å; F540-C572 HydrophobicContact CE2-CB 3.81Å; F540-C572 HydrophobicContact CG-CB 3.5Å; F540-C572 VanDerWaalsContact CG-CB 3.5Å; F540-C572 HydrophobicContact CZ-CB 4.45Å; C568-C572 WeakPolarHBondContact O-CA 3.26Å; C568-C572 VanDerWaalsContact O-CB 3.31Å; C568-C572 WeakPolarHBondContact O-CB 3.17Å; C568-C572 PolarHBondContact O-N 2.74Å
573	P	68.5	Low	78.3	Confident	86 Å²	86	75.4 Å²	75.4	56%	0.558	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-66.6	137	-179.5	-20.2	32.4	0	0	0	113.4	R545	R545-P573 PolarHBondContact NH2-O 3.39Å
574	E	66.7	Low	78.2	Confident	95 Å²	95	72.3 Å²	72.3	44%	0.444	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.9	130.3	173.5	-58.3	-168.7	163.9	0	0	110.5	R545	R545-E574 WeakPolarHBondContact O-CG 2.88Å
575	L	66.1	Low	78	Confident	59 Å²	59	70.9 Å²	70.9	31%	0.309	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-90.2	132.4	-177	179	76.4	0	0	0	111	L592	L575-L592 HydrophobicContact CD1-CD1 3.77Å; L575-L592 HydrophobicContact CD2-CD1 3.41Å; L575-L592 VanDerWaalsContact CD2-CD1 3.41Å; L575-L592 HydrophobicContact CD2-CD2 3.81Å; L575-L592 HydrophobicContact CD2-CG 4.2Å; L575-L592 HydrophobicContact CG-CD1 4.2Å
576	Q	69.7	Low	77.6	Confident	141 Å²	141	70.5 Å²	70.5	66%	0.659	37%	0.369	S	S	*	.			trans	-84.8	115.9	163.3	-68.6	179	31.2	0	0	109.3	P578	Q576-P578 VanDerWaalsContact O-CD 3.27Å; Q576-P578 WeakPolarHBondContact O-CD 3.48Å
577	N	76.3	Confident	77.1	Confident	59 Å²	59	67.4 Å²	67.4	32%	0.316	35%	0.351	S	S	.	.			trans	-62.3	117.7	-177.2	-177.3	-7.2	0	0	0	110.7	C579 G582 D583 P584	N577-C579 WeakPolarHBondContact OD1-CB 3.2Å; N577-C579 PolarHBondContact OD1-N 3.33Å; N577-G582 PolarHBondContact ND2-O 2.96Å; N577-D583 PolarHBondContact ND2-OD1 3.43Å; N577-P584 WeakPolarHBondContact OD1-CD 3.23Å; N577-P584 WeakPolarHBondContact OD1-CG 3.28Å
578	P	80.6	Confident	76.1	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	35%	0.351	C	S	.	.			trans	-84	-7.6	179.9	33.6	-33.9	0	0	0	114.1	Q576 H610 T617 L619 R660 A661	Q576-P578 VanDerWaalsContact O-CD 3.27Å; Q576-P578 WeakPolarHBondContact O-CD 3.48Å; P578-H610 PolarHBondContact O-NE2 2.89Å; P578-T617 HydrophobicContact CB-CG2 4.43Å; P578-L619 HydrophobicContact CG-CB 4.49Å; P578-L619 HydrophobicContact CG-CD1 3.57Å; P578-L619 HydrophobicContact CG-CG 4.22Å; P578-R660 HydrophobicContact CB-CB 4.03Å; P578-A661 VanDerWaalsContact O-CA 3.28Å; P578-A661 WeakPolarHBondContact O-CA 3.45Å; P578-A661 PolarHBondContact O-N 3.27Å
579	C	86.1	Confident	74.3	Confident	9 Å²	9	70.7 Å²	70.7	6%	0.061	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-81.2	143.1	178.6	-58.1	0	0	0	0	111.5	N577 C621	N577-C579 WeakPolarHBondContact OD1-CB 3.2Å; N577-C579 PolarHBondContact OD1-N 3.33Å; C579-C621 WeakPolarHBondContact CA-SG 3.44Å; C579-C621 HydrophobicContact CB-CB 3.85Å; C579-C621 WeakPolarHBondContact CB-SG 3.46Å; C579-C621 VanDerWaalsContact SG-CA 3.57Å; C579-C621 WeakPolarHBondContact SG-CB 3.11Å; C579-C621 CovalentContact SG-SG 2.04Å; C579-C621 PolarHBondContact SG-SG 2.77Å
580	H	84.3	Confident	73.2	Confident	77 Å²	77	67.7 Å²	67.7	36%	0.356	36%	0.361	S	S	.	.	S	Bend	trans	-70.2	-40.4	175.1	-175.2	56.4	0	0	0	112.6	L632 A661	H580-L632 WeakPolarHBondContact CD2-CD1 3.33Å; H580-L632 VanDerWaalsContact NE2-CD1 3.26Å; H580-L632 WeakPolarHBondContact NE2-CD1 3.4Å; H580-A661 WeakPolarHBondContact CB-O 3.4Å; H580-A661 PolarHBondContact ND1-O 2.7Å
581	H	76.1	Confident	72.8	Confident	137 Å²	137	63.4 Å²	63.4	63%	0.634	34%	0.344	S	S	*	.	S	Bend	trans	-133.2	144.2	177.2	-75.2	-54.1	0	0	0	109.9
582	G	71.8	Confident	72.5	Confident	37 Å²	37	58.2 Å²	58.2	38%	0.381	33%	0.328	S	S	.	.	S	Bend	trans	72.5	174	-178.7	0	0	0	0	0	113.3	N577	N577-G582 PolarHBondContact ND2-O 2.96Å
583	D	76.5	Confident	72.6	Confident	123 Å²	123	60.6 Å²	60.6	66%	0.658	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-88.2	148.6	171.7	-64.9	-46.5	0	0	0	109.8	N577	N577-D583 PolarHBondContact ND2-OD1 3.43Å
584	P	84.4	Confident	73.3	Confident	11 Å²	11	61.3 Å²	61.3	7%	0.071	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-57.6	146.2	174.5	-18.5	30.3	0	0	0	110.3	N577 V586 L592 L619 C620	N577-P584 WeakPolarHBondContact OD1-CD 3.23Å; N577-P584 WeakPolarHBondContact OD1-CG 3.28Å; P584-V586 PolarHBondContact O-N 3.14Å; P584-L592 HydrophobicContact CB-CD2 3.79Å; P584-L592 HydrophobicContact CG-CD2 4.05Å; P584-L619 HydrophobicContact CB-CB 4.33Å; P584-L619 HydrophobicContact CB-CD1 3.89Å; P584-L619 HydrophobicContact CG-CD1 4.03Å; P584-C620 CarbonylContact C-O 3.1Å; P584-C620 WeakPolarHBondContact CA-O 3.17Å
585	A	82.1	Confident	74.4	Confident	5 Å²	5	57.1 Å²	57.1	4%	0.041	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-58	132.8	172.9	0	0	0	0	0	108.6	L593 P604 Y607 C620	A585-L593 HydrophobicContact CB-CB 4.23Å; A585-L593 HydrophobicContact CB-CD1 3.72Å; A585-L593 PolarHBondContact O-N 2.9Å; A585-P604 HydrophobicContact CB-CG 4.29Å; A585-Y607 HydrophobicContact CB-CD1 3.53Å; A585-Y607 HydrophobicContact CB-CD2 4.42Å; A585-Y607 HydrophobicContact CB-CE1 3.57Å; A585-Y607 HydrophobicContact CB-CE2 4.45Å; A585-Y607 HydrophobicContact CB-CG 3.98Å; A585-C620 HydrophobicContact CB-CB 3.65Å; A585-C620 PolarHBondContact N-O 3.07Å
586	V	75	Confident	75.2	Confident	80 Å²	80	57.6 Å²	57.6	49%	0.485	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-108.8	146.1	171.2	-65.9	0	0	0	0	108.4	P584 S591 L592	P584-V586 PolarHBondContact O-N 3.14Å; V586-S591 CarbonylContact C-O 3.46Å; V586-S591 VanDerWaalsContact CA-O 3.28Å; V586-S591 WeakPolarHBondContact CA-O 3.26Å; V586-L592 HydrophobicContact CG1-CD2 4.07Å
587	S	69.2	Low	75.4	Confident	31 Å²	31	53 Å²	53	22%	0.217	31%	0.307	C	S	.	.			trans	-61.3	167.2	166.1	73.9	0	0	0	0	108.9	H589 G590 S591	S587-H589 PolarHBondContact O-N 3.44Å; S587-H589 VanDerWaalsContact O-N 3.13Å; S587-H589 PolarHBondContact OG-N 3.03Å; S587-G590 VanDerWaalsContact O-CA 3.31Å; S587-G590 WeakPolarHBondContact O-CA 3.42Å; S587-G590 PolarHBondContact O-N 2.94Å; S587-S591 PolarHBondContact N-O 2.92Å; S587-S591 PolarHBondContact OG-N 2.84Å; S587-S591 PolarHBondContact OG-O 3.11Å
588	A	61.4	Low	75.3	Confident	48 Å²	48	59.4 Å²	59.4	40%	0.397	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.8	177.2	0	0	0	0	0	112.4	S436 T453 G590	S436-A588 VanDerWaalsContact OG-CA 3.25Å; S436-A588 WeakPolarHBondContact OG-CA 3.14Å; S436-A588 WeakPolarHBondContact OG-CB 3.19Å; S436-A588 PolarHBondContact OG-O 3.34Å; T453-A588 HydrophobicContact CG2-CB 3.27Å; A588-G590 PolarHBondContact O-N 2.77Å
589	H	49.5	Very low	74.8	Confident	95 Å²	95	63.3 Å²	63.3	44%	0.44	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	1	173.8	-56.7	95.9	0	0	0	114.1	T453 R542 S587 S591	T453-H589 PolarHBondContact OG1-CD2 2.83Å; T453-H589 PolarHBondContact OG1-NE2 3.06Å; R542-H589 PolarHBondContact NH2-O 3.12Å; S587-H589 PolarHBondContact O-N 3.44Å; S587-H589 VanDerWaalsContact O-N 3.13Å; S587-H589 PolarHBondContact OG-N 3.03Å; H589-S591 VanDerWaalsContact C-N 3.29Å; H589-S591 PolarHBondContact O-N 3.45Å
590	G	57	Low	73.8	Confident	16 Å²	16	66.1 Å²	66.1	17%	0.165	37%	0.368	C	S	.	.	S	Bend	trans	68.9	17.3	-175.7	0	0	0	0	0	115.5	R542 S587 A588	R542-G590 VanDerWaalsContact NH2-CA 3.28Å; S587-G590 VanDerWaalsContact O-CA 3.31Å; S587-G590 WeakPolarHBondContact O-CA 3.42Å; S587-G590 PolarHBondContact O-N 2.94Å; A588-G590 PolarHBondContact O-N 2.77Å
591	S	69.9	Low	73.1	Confident	57 Å²	57	71.1 Å²	71.1	40%	0.399	39%	0.391	S	S	.	.			trans	-78	138.7	168	-60.4	0	0	0	0	108.8	V586 S587 H589 L593	V586-S591 CarbonylContact C-O 3.46Å; V586-S591 VanDerWaalsContact CA-O 3.28Å; V586-S591 WeakPolarHBondContact CA-O 3.26Å; S587-S591 PolarHBondContact N-O 2.92Å; S587-S591 PolarHBondContact OG-N 2.84Å; S587-S591 PolarHBondContact OG-O 3.11Å; H589-S591 VanDerWaalsContact C-N 3.29Å; H589-S591 PolarHBondContact O-N 3.45Å; S591-L593 PolarHBondContact O-N 3.37Å
592	L	71.4	Confident	73.2	Confident	55 Å²	55	68.8 Å²	68.8	29%	0.288	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-59.6	133.2	177.4	-60.5	161.1	0	0	0	110.3	L575 P584 V586 Q594 L619	L575-L592 HydrophobicContact CD1-CD1 3.77Å; L575-L592 HydrophobicContact CD2-CD1 3.41Å; L575-L592 VanDerWaalsContact CD2-CD1 3.41Å; L575-L592 HydrophobicContact CD2-CD2 3.81Å; L575-L592 HydrophobicContact CD2-CG 4.2Å; L575-L592 HydrophobicContact CG-CD1 4.2Å; P584-L592 HydrophobicContact CB-CD2 3.79Å; P584-L592 HydrophobicContact CG-CD2 4.05Å; V586-L592 HydrophobicContact CG1-CD2 4.07Å; L592-Q594 PolarHBondContact O-N 2.8Å; L592-L619 HydrophobicContact CB-CD1 4.24Å; L592-L619 HydrophobicContact CB-CD2 3.85Å; L592-L619 HydrophobicContact CD1-CD1 4.01Å; L592-L619 HydrophobicContact CD2-CD1 4.26Å; L592-L619 HydrophobicContact CG-CD1 4.4Å
593	L	81.7	Confident	74	Confident	50 Å²	50	67.9 Å²	67.9	26%	0.262	37%	0.369	S	S	.	.			trans	-77.1	105	173.8	-75.2	162	0	0	0	108.9	A585 S591 P604 L619 C620	A585-L593 HydrophobicContact CB-CB 4.23Å; A585-L593 HydrophobicContact CB-CD1 3.72Å; A585-L593 PolarHBondContact O-N 2.9Å; S591-L593 PolarHBondContact O-N 3.37Å; L593-P604 HydrophobicContact CD1-CG 4.27Å; L593-L619 WeakPolarHBondContact O-CA 3.37Å; L593-C620 HydrophobicContact CB-CB 4.23Å; L593-C620 PolarHBondContact O-N 3.4Å
594	Q	84.1	Confident	74.4	Confident	102 Å²	102	64.8 Å²	64.8	48%	0.477	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-83.7	139.6	172.9	-167.1	161.3	30.7	0	0	109.5	L592 M602 A615 L619	L592-Q594 PolarHBondContact O-N 2.8Å; Q594-M602 WeakPolarHBondContact O-CE 3.44Å; Q594-A615 PolarHBondContact NE2-O 3.36Å; Q594-L619 HydrophobicContact CB-CD2 4.2Å; Q594-L619 HydrophobicContact CG-CD2 4.49Å
595	C	88.5	Confident	74.3	Confident	7 Å²	7	70.8 Å²	70.8	5%	0.047	39%	0.392	C	S	.	.			trans	-129.3	175.3	178	64.3	0	0	0	0	108.9	M602 C609 T618 L619	C595-M602 HydrophobicContact CB-CB 4.45Å; C595-C609 HydrophobicContact CB-CB 3.74Å; C595-C609 WeakPolarHBondContact CB-SG 3.34Å; C595-C609 WeakPolarHBondContact SG-CA 3.34Å; C595-C609 WeakPolarHBondContact SG-CB 3.14Å; C595-C609 CovalentContact SG-SG 2.03Å; C595-C609 PolarHBondContact SG-SG 2.74Å; C595-T618 WeakPolarHBondContact O-CG2 3.27Å; C595-L619 VanDerWaalsContact SG-C 3.57Å
596	D	84	Confident	74.3	Confident	68 Å²	68	72 Å²	72	36%	0.364	41%	0.405	S	S	.	.			trans	-139	173.5	175.4	64.1	54.5	0	0	0	111.4	E598 N599 C609	D596-E598 VanDerWaalsContact C-N 3.3Å; D596-E598 PolarHBondContact O-N 2.89Å; D596-E598 WeakPolarHBondContact OD1-CA 3.44Å; D596-E598 PolarHBondContact OD1-N 2.87Å; D596-N599 WeakPolarHBondContact OD1-CB 3.3Å; D596-N599 PolarHBondContact OD1-N 2.92Å; D596-C609 PolarHBondContact O-SG 3.39Å
597	A	72.8	Confident	75	Confident	46 Å²	46	72 Å²	72	38%	0.38	40%	0.397	S	S	.	.	S	Bend	trans	-71	-24.7	-177.8	0	0	0	0	0	113.6	I611	A597-I611 HydrophobicContact CB-CD1 4.34Å
598	E	74	Confident	75.9	Confident	192 Å²	192	72 Å²	72	90%	0.897	39%	0.392	S	S	*	.	S	Bend	trans	-88.2	-26.9	-173.6	-66.3	172.7	179.4	0	0	111.2	D596	D596-E598 VanDerWaalsContact C-N 3.3Å; D596-E598 PolarHBondContact O-N 2.89Å; D596-E598 WeakPolarHBondContact OD1-CA 3.44Å; D596-E598 PolarHBondContact OD1-N 2.87Å
599	N	71.3	Confident	77.3	Confident	83 Å²	83	70 Å²	70	44%	0.444	38%	0.375	S	S	.	.			trans	-126.9	60.6	-174.7	-157	9.8	0	0	0	111.8	D596 E601 M602	D596-N599 WeakPolarHBondContact OD1-CB 3.3Å; D596-N599 PolarHBondContact OD1-N 2.92Å; N599-E601 PolarHBondContact O-N 3.44Å; N599-M602 HydrophobicContact CB-CG 4.12Å; N599-M602 HydrophobicContact CB-SD 4.04Å; N599-M602 WeakPolarHBondContact ND2-CG 3.18Å; N599-M602 WeakPolarHBondContact O-CG 3.38Å; N599-M602 PolarHBondContact O-N 2.83Å
600	Q	65.8	Low	79.3	Confident	68 Å²	68	65.5 Å²	65.5	32%	0.318	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-58.7	-20.4	-179	-69.3	-173.8	-24.1	0	0	113.8	M602 E672 K676	Q600-M602 PolarHBondContact O-N 3.24Å; Q600-E672 PolarHBondContact NE2-OE1 3.05Å; Q600-K676 VanDerWaalsContact OE1-NZ 3.1Å
601	E	68.9	Low	81	Confident	183 Å²	183	65.8 Å²	65.8	86%	0.855	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-75	-2.7	179.5	-63	-165.9	172.2	0	0	114.1	N599 C603	N599-E601 PolarHBondContact O-N 3.44Å; E601-C603 PolarHBondContact O-N 3.2Å
602	M	78.5	Confident	81.9	Confident	88 Å²	88	63.3 Å²	63.3	43%	0.433	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.6	176.3	-72.7	-178.7	61.3	0	0	114.1	Q594 C595 N599 Q600	Q594-M602 WeakPolarHBondContact O-CE 3.44Å; C595-M602 HydrophobicContact CB-CB 4.45Å; N599-M602 HydrophobicContact CB-CG 4.12Å; N599-M602 HydrophobicContact CB-SD 4.04Å; N599-M602 WeakPolarHBondContact ND2-CG 3.18Å; N599-M602 WeakPolarHBondContact O-CG 3.38Å; N599-M602 PolarHBondContact O-N 2.83Å; Q600-M602 PolarHBondContact O-N 3.24Å
603	C	87.3	Confident	82.7	Confident	17 Å²	17	62.7 Å²	62.7	12%	0.115	34%	0.338	C	S	.	.	S	Bend	trans	-84.9	138.8	-179.3	-63.2	0	0	0	0	111.8	E601 C620	E601-C603 PolarHBondContact O-N 3.2Å; C603-C620 WeakPolarHBondContact CA-SG 3.28Å; C603-C620 HydrophobicContact CB-CB 3.8Å; C603-C620 WeakPolarHBondContact CB-SG 3.36Å; C603-C620 WeakPolarHBondContact SG-CA 3.42Å; C603-C620 WeakPolarHBondContact SG-CB 3.43Å; C603-C620 CovalentContact SG-SG 2.05Å; C603-C620 PolarHBondContact SG-SG 3.36Å
604	P	85.4	Confident	83	Confident	58 Å²	58	64.3 Å²	64.3	38%	0.377	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.7	160.3	178.7	26.3	-32.9	0	0	0	111.7	A585 L593 G606 Y607	A585-P604 HydrophobicContact CB-CG 4.29Å; L593-P604 HydrophobicContact CD1-CG 4.27Å; P604-G606 PolarHBondContact O-N 3.1Å; P604-Y607 HydrophobicContact CG-CD2 3.85Å; P604-Y607 HydrophobicContact CG-CG 4.19Å; P604-Y607 WeakPolarHBondContact O-CA 3.32Å; P604-Y607 WeakPolarHBondContact O-CB 3.22Å; P604-Y607 PolarHBondContact O-N 3.16Å
605	V	82.4	Confident	82.8	Confident	137 Å²	137	62.4 Å²	62.4	83%	0.83	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	129.3	178.8	179.1	0	0	0	0	111.1
606	G	82.6	Confident	82.5	Confident	30 Å²	30	65.9 Å²	65.9	31%	0.309	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	3.9	-174.9	0	0	0	0	0	114.1	P604 E623	P604-G606 PolarHBondContact O-N 3.1Å; G606-E623 WeakPolarHBondContact CA-OE2 3.44Å; G606-E623 WeakPolarHBondContact O-CB 2.96Å; G606-E623 PolarHBondContact O-N 2.73Å
607	Y	88.9	Confident	82.6	Confident	81 Å²	81	63.5 Å²	63.5	32%	0.318	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.5	170.7	-70.3	-101.2	0	0	0	110.9	A585 P604 C621 Q622	A585-Y607 HydrophobicContact CB-CD1 3.53Å; A585-Y607 HydrophobicContact CB-CD2 4.42Å; A585-Y607 HydrophobicContact CB-CE1 3.57Å; A585-Y607 HydrophobicContact CB-CE2 4.45Å; A585-Y607 HydrophobicContact CB-CG 3.98Å; P604-Y607 HydrophobicContact CG-CD2 3.85Å; P604-Y607 HydrophobicContact CG-CG 4.19Å; P604-Y607 WeakPolarHBondContact O-CA 3.32Å; P604-Y607 WeakPolarHBondContact O-CB 3.22Å; P604-Y607 PolarHBondContact O-N 3.16Å; Y607-C621 CarbonylContact C-O 3.57Å; Y607-C621 WeakPolarHBondContact CA-O 2.99Å; Y607-C621 WeakPolarHBondContact CB-O 3.44Å; Y607-C621 WeakPolarHBondContact CD1-O 3.29Å; Y607-Q622 HydrophobicContact CE1-CB 4.45Å
608	W	88.3	Confident	83.5	Confident	32 Å²	32	62.1 Å²	62.1	12%	0.121	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	156.2	174.8	72.1	-73.7	0	0	0	110.3	H610 C620 C621 Q622 N663 Q664	W608-H610 HydrophobicContact CH2-CB 3.93Å; W608-H610 HydrophobicContact CZ2-CB 3.9Å; W608-H610 HydrophobicContact CZ3-CB 4.32Å; W608-H610 PolarHBondContact O-N 3.45Å; W608-C620 CarbonylContact O-C 3.54Å; W608-C620 WeakPolarHBondContact O-CA 3.01Å; W608-C621 PolarHBondContact N-O 3.18Å; W608-C621 PolarHBondContact O-N 3.04Å; W608-Q622 PolarHBondContact NE1-O 3.49Å; W608-Q622 VanDerWaalsContact NE1-O 3.17Å; W608-N663 VanDerWaalsContact CH2-O 3.28Å; W608-N663 WeakPolarHBondContact CH2-O 3.36Å; W608-Q664 VanDerWaalsContact CB-CD 3.5Å; W608-Q664 HydrophobicContact CB-CG 4.17Å; W608-Q664 VanDerWaalsContact CB-NE2 3.31Å; W608-Q664 HydrophobicContact CD2-CB 3.95Å; W608-Q664 HydrophobicContact CD2-CG 3.45Å; W608-Q664 VanDerWaalsContact CD2-CG 3.45Å; W608-Q664 HydrophobicContact CE3-CB 4.28Å; W608-Q664 HydrophobicContact CE3-CG 3.62Å; W608-Q664 HydrophobicContact CG-CB 4.37Å; W608-Q664 HydrophobicContact CG-CG 3.69Å; W608-Q664 HydrophobicContact CH2-CB 4.4Å; W608-Q664 HydrophobicContact CZ2-CB 4.1Å; W608-Q664 HydrophobicContact CZ2-CG 4.46Å; W608-Q664 HydrophobicContact CZ3-CB 4.47Å; W608-Q664 HydrophobicContact CZ3-CG 4.17Å
609	C	91.2	Very high	84.3	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	102.7	177.1	-176.4	0	0	0	0	111.2	C595 D596 I611	C595-C609 HydrophobicContact CB-CB 3.74Å; C595-C609 WeakPolarHBondContact CB-SG 3.34Å; C595-C609 WeakPolarHBondContact SG-CA 3.34Å; C595-C609 WeakPolarHBondContact SG-CB 3.14Å; C595-C609 CovalentContact SG-SG 2.03Å; C595-C609 PolarHBondContact SG-SG 2.74Å; D596-C609 PolarHBondContact O-SG 3.39Å; C609-I611 PolarHBondContact O-N 2.95Å; C609-I611 WeakPolarHBondContact SG-CD1 3.33Å
610	H	91.6	Very high	85.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.3	172.6	165.5	-79	0	0	0	109.9	P578 W608 T617 T618 L619 C621 Y657	P578-H610 PolarHBondContact O-NE2 2.89Å; W608-H610 HydrophobicContact CH2-CB 3.93Å; W608-H610 HydrophobicContact CZ2-CB 3.9Å; W608-H610 HydrophobicContact CZ3-CB 4.32Å; W608-H610 PolarHBondContact O-N 3.45Å; H610-T617 PolarHBondContact CE1-O 3.48Å; H610-T617 PolarHBondContact ND1-O 3.18Å; H610-T618 CarbonylContact O-C 3.57Å; H610-T618 WeakPolarHBondContact O-CA 3.5Å; H610-T618 WeakPolarHBondContact O-CG2 3.17Å; H610-L619 WeakPolarHBondContact CB-O 3.32Å; H610-L619 PolarHBondContact N-O 3.36Å; H610-L619 PolarHBondContact O-N 2.85Å; H610-L619 VanDerWaalsContact O-N 3.12Å; H610-C621 HydrophobicContact CB-CB 3.96Å; H610-C621 WeakPolarHBondContact CB-SG 3.37Å; H610-Y657 PolarHBondContact CE1-OH 3.17Å; H610-Y657 AromaticContact NE2-CZ 3.84Å; H610-Y657 PolarHBondContact NE2-OH 3.25Å
611	I	91.4	Very high	86.3	Confident	22 Å²	22	46.1 Å²	46.1	11%	0.113	27%	0.271	C	S	.	.			trans	-94	104.6	178.6	-50.7	-60	0	0	0	110.9	A597 C609 T618 R642	A597-I611 HydrophobicContact CB-CD1 4.34Å; C609-I611 PolarHBondContact O-N 2.95Å; C609-I611 WeakPolarHBondContact SG-CD1 3.33Å; I611-T618 HydrophobicContact CD1-CG2 3.75Å; I611-R642 PolarHBondContact O-NH1 3.43Å; I611-R642 PolarHBondContact O-NH2 3.39Å
612	G	89.9	Confident	87	Confident	5 Å²	5	43 Å²	43	5%	0.052	26%	0.256	C	S	.	.			trans	-80.9	-154.5	179.9	0	0	0	0	0	114.2	T617 T618 R642 G659	G612-T617 WeakPolarHBondContact CA-O 3.49Å; G612-T617 PolarHBondContact N-O 2.97Å; G612-T618 PolarHBondContact N-OG1 2.85Å; G612-T618 VanDerWaalsContact N-OG1 3.09Å; G612-R642 PolarHBondContact O-NH2 2.84Å; G612-R642 VanDerWaalsContact O-NH2 3.12Å; G612-G659 CarbonylContact C-O 3.51Å; G612-G659 WeakPolarHBondContact CA-O 3.37Å
613	A	88.3	Confident	87.1	Confident	42 Å²	42	43.7 Å²	43.7	35%	0.347	26%	0.258	S	S	.	.	S	Bend	trans	-86.3	-28.3	174.3	0	0	0	0	0	113.7	T617 Q638 L640 G659	A613-T617 PolarHBondContact N-OG1 3.49Å; A613-Q638 HydrophobicContact CB-CB 4.24Å; A613-Q638 HydrophobicContact CB-CG 3.66Å; A613-L640 HydrophobicContact CB-CD1 3.94Å; A613-G659 PolarHBondContact N-O 3.34Å; A613-G659 VanDerWaalsContact N-O 3.14Å
614	D	87.1	Confident	86.6	Confident	83 Å²	83	44.1 Å²	44.1	44%	0.444	27%	0.266	S	S	.	.	S	Bend	trans	-144.1	178.7	-180	59.4	35.3	0	0	0	110	S616 T617 T618	D614-S616 PolarHBondContact O-N 2.96Å; D614-S616 WeakPolarHBondContact OD1-CA 3.32Å; D614-S616 WeakPolarHBondContact OD1-CB 3.4Å; D614-S616 PolarHBondContact OD1-N 2.81Å; D614-S616 PolarHBondContact OD1-OG 3.26Å; D614-T617 PolarHBondContact N-OG1 2.54Å; D614-T617 VanDerWaalsContact N-OG1 3.07Å; D614-T617 PolarHBondContact O-N 2.7Å; D614-T617 PolarHBondContact O-OG1 2.78Å; D614-T617 PolarHBondContact OD1-N 2.02Å; D614-T617 PolarHBondContact OD1-OG1 2.82Å; D614-T618 WeakPolarHBondContact O-CB 3.49Å; D614-T618 PolarHBondContact O-N 2.89Å; D614-T618 PolarHBondContact O-OG1 3.39Å
615	A	81.5	Confident	86.6	Confident	63 Å²	63	45.5 Å²	45.5	52%	0.521	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.7	-37.5	178	0	0	0	0	0	111.8	Q594 T617 T618	Q594-A615 PolarHBondContact NE2-O 3.36Å; A615-T617 VanDerWaalsContact C-N 3.27Å; A615-T617 PolarHBondContact O-N 2.75Å; A615-T618 PolarHBondContact O-N 2.83Å
616	S	81	Confident	86.8	Confident	79 Å²	79	40 Å²	40	55%	0.552	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-69	-24.1	-177.3	78.3	0	0	0	0	114.1	D614	D614-S616 PolarHBondContact O-N 2.96Å; D614-S616 WeakPolarHBondContact OD1-CA 3.32Å; D614-S616 WeakPolarHBondContact OD1-CB 3.4Å; D614-S616 PolarHBondContact OD1-N 2.81Å; D614-S616 PolarHBondContact OD1-OG 3.26Å
617	T	87	Confident	87.2	Confident	19 Å²	19	39.2 Å²	39.2	12%	0.117	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-100.5	4.2	176.8	48.5	0	0	0	0	112.9	P578 H610 G612 A613 D614 A615 R660	P578-T617 HydrophobicContact CB-CG2 4.43Å; H610-T617 PolarHBondContact CE1-O 3.48Å; H610-T617 PolarHBondContact ND1-O 3.18Å; G612-T617 WeakPolarHBondContact CA-O 3.49Å; G612-T617 PolarHBondContact N-O 2.97Å; A613-T617 PolarHBondContact N-OG1 3.49Å; D614-T617 PolarHBondContact N-OG1 2.54Å; D614-T617 VanDerWaalsContact N-OG1 3.07Å; D614-T617 PolarHBondContact O-N 2.7Å; D614-T617 PolarHBondContact O-OG1 2.78Å; D614-T617 PolarHBondContact OD1-N 2.02Å; D614-T617 PolarHBondContact OD1-OG1 2.82Å; A615-T617 VanDerWaalsContact C-N 3.27Å; A615-T617 PolarHBondContact O-N 2.75Å; T617-R660 HydrophobicContact CG2-CB 4.31Å
618	T	91.4	Very high	87.3	Confident	16 Å²	16	40.7 Å²	40.7	10%	0.098	24%	0.24	C	C	.	.			trans	-105.9	102.4	179.6	-60.3	0	0	0	0	110.1	C595 H610 I611 G612 D614 A615	C595-T618 WeakPolarHBondContact O-CG2 3.27Å; H610-T618 CarbonylContact O-C 3.57Å; H610-T618 WeakPolarHBondContact O-CA 3.5Å; H610-T618 WeakPolarHBondContact O-CG2 3.17Å; I611-T618 HydrophobicContact CD1-CG2 3.75Å; G612-T618 PolarHBondContact N-OG1 2.85Å; G612-T618 VanDerWaalsContact N-OG1 3.09Å; D614-T618 WeakPolarHBondContact O-CB 3.49Å; D614-T618 PolarHBondContact O-N 2.89Å; D614-T618 PolarHBondContact O-OG1 3.39Å; A615-T618 PolarHBondContact O-N 2.83Å
619	L	89.7	Confident	87.3	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.9	-170.7	-64.5	178	0	0	0	110.8	P578 P584 L592 L593 Q594 C595 H610 C621	P578-L619 HydrophobicContact CG-CB 4.49Å; P578-L619 HydrophobicContact CG-CD1 3.57Å; P578-L619 HydrophobicContact CG-CG 4.22Å; P584-L619 HydrophobicContact CB-CB 4.33Å; P584-L619 HydrophobicContact CB-CD1 3.89Å; P584-L619 HydrophobicContact CG-CD1 4.03Å; L592-L619 HydrophobicContact CB-CD1 4.24Å; L592-L619 HydrophobicContact CB-CD2 3.85Å; L592-L619 HydrophobicContact CD1-CD1 4.01Å; L592-L619 HydrophobicContact CD2-CD1 4.26Å; L592-L619 HydrophobicContact CG-CD1 4.4Å; L593-L619 WeakPolarHBondContact O-CA 3.37Å; Q594-L619 HydrophobicContact CB-CD2 4.2Å; Q594-L619 HydrophobicContact CG-CD2 4.49Å; C595-L619 VanDerWaalsContact SG-C 3.57Å; H610-L619 WeakPolarHBondContact CB-O 3.32Å; H610-L619 PolarHBondContact N-O 3.36Å; H610-L619 PolarHBondContact O-N 2.85Å; H610-L619 VanDerWaalsContact O-N 3.12Å; L619-C621 PolarHBondContact O-N 3.06Å
620	C	90.5	Very high	87.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.1	170.8	-65	0	0	0	0	111.1	P584 A585 L593 C603 W608	P584-C620 CarbonylContact C-O 3.1Å; P584-C620 WeakPolarHBondContact CA-O 3.17Å; A585-C620 HydrophobicContact CB-CB 3.65Å; A585-C620 PolarHBondContact N-O 3.07Å; L593-C620 HydrophobicContact CB-CB 4.23Å; L593-C620 PolarHBondContact O-N 3.4Å; C603-C620 WeakPolarHBondContact CA-SG 3.28Å; C603-C620 HydrophobicContact CB-CB 3.8Å; C603-C620 WeakPolarHBondContact CB-SG 3.36Å; C603-C620 WeakPolarHBondContact SG-CA 3.42Å; C603-C620 WeakPolarHBondContact SG-CB 3.43Å; C603-C620 CovalentContact SG-SG 2.05Å; C603-C620 PolarHBondContact SG-SG 3.36Å; W608-C620 CarbonylContact O-C 3.54Å; W608-C620 WeakPolarHBondContact O-CA 3.01Å
621	C	89.4	Confident	87.3	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	159	177.9	-67.3	0	0	0	0	111	C579 Y607 W608 H610 L619	C579-C621 WeakPolarHBondContact CA-SG 3.44Å; C579-C621 HydrophobicContact CB-CB 3.85Å; C579-C621 WeakPolarHBondContact CB-SG 3.46Å; C579-C621 VanDerWaalsContact SG-CA 3.57Å; C579-C621 WeakPolarHBondContact SG-CB 3.11Å; C579-C621 CovalentContact SG-SG 2.04Å; C579-C621 PolarHBondContact SG-SG 2.77Å; Y607-C621 CarbonylContact C-O 3.57Å; Y607-C621 WeakPolarHBondContact CA-O 2.99Å; Y607-C621 WeakPolarHBondContact CB-O 3.44Å; Y607-C621 WeakPolarHBondContact CD1-O 3.29Å; W608-C621 PolarHBondContact N-O 3.18Å; W608-C621 PolarHBondContact O-N 3.04Å; H610-C621 HydrophobicContact CB-CB 3.96Å; H610-C621 WeakPolarHBondContact CB-SG 3.37Å; L619-C621 PolarHBondContact O-N 3.06Å
622	Q	83.6	Confident	87.3	Confident	116 Å²	116	49 Å²	49	54%	0.542	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137	-177.4	-171.9	176.4	-15	0	0	112.1	Y607 W608	Y607-Q622 HydrophobicContact CE1-CB 4.45Å; W608-Q622 PolarHBondContact NE1-O 3.49Å; W608-Q622 VanDerWaalsContact NE1-O 3.17Å
623	E	79.8	Confident	87.3	Confident	103 Å²	103	51.9 Å²	51.9	48%	0.481	31%	0.306	S	S	.	.			trans	-81	147.2	-171.7	-172.2	172.9	-163.1	0	0	113.9	G606	G606-E623 WeakPolarHBondContact CA-OE2 3.44Å; G606-E623 WeakPolarHBondContact O-CB 2.96Å; G606-E623 PolarHBondContact O-N 2.73Å
624	G	78.3	Confident	87.4	Confident	27 Å²	27	51.1 Å²	51.1	28%	0.278	30%	0.303	S	S	.	.			trans	-150	163.5	165.6	0	0	0	0	0	110.6	P626 Q664	G624-P626 WeakPolarHBondContact O-CD 3.19Å; G624-Q664 PolarHBondContact O-OE1 2.9Å
625	N	84.4	Confident	87.3	Confident	87 Å²	87	53 Å²	53	47%	0.465	31%	0.309	S	S	.	.			trans	-65	109.7	179.9	-178.5	-25.4	0	0	0	110.4	C627 L628 L629	N625-C627 PolarHBondContact O-N 2.89Å; N625-C627 VanDerWaalsContact O-N 3.12Å; N625-C627 PolarHBondContact OD1-N 3.31Å; N625-L628 HydrophobicContact CB-CB 4.24Å; N625-L628 HydrophobicContact CB-CD1 4.1Å; N625-L628 HydrophobicContact CB-CG 4.17Å; N625-L628 PolarHBondContact O-N 2.77Å; N625-L629 WeakPolarHBondContact O-CG 3.47Å; N625-L629 PolarHBondContact O-N 2.95Å
626	P	86.9	Confident	87.6	Confident	20 Å²	20	51.7 Å²	51.7	13%	0.13	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-61.2	-30.8	-171.6	24.8	-34.3	0	0	0	112.7	G624 L628 L629 Q664 N665 F667	G624-P626 WeakPolarHBondContact O-CD 3.19Å; P626-L628 PolarHBondContact O-N 3.26Å; P626-L629 PolarHBondContact O-N 2.97Å; P626-Q664 HydrophobicContact CB-CB 4.03Å; P626-Q664 HydrophobicContact CB-CG 4.01Å; P626-Q664 VanDerWaalsContact CB-O 3.27Å; P626-Q664 WeakPolarHBondContact CB-O 3.07Å; P626-Q664 HydrophobicContact CG-CG 4.5Å; P626-N665 VanDerWaalsContact O-CB 3.24Å; P626-N665 WeakPolarHBondContact O-CB 3.24Å; P626-N665 PolarHBondContact O-ND2 3.47Å; P626-F667 HydrophobicContact CB-CE1 4.48Å; P626-F667 HydrophobicContact CB-CZ 3.84Å; P626-F667 HydrophobicContact CG-CZ 4.33Å
627	C	90.8	Very high	87.9	Confident	15 Å²	15	54.2 Å²	54.2	10%	0.101	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-76.6	-12.9	-178.9	-43.6	0	0	0	0	112.8	N625 F645 Q647 C677	N625-C627 PolarHBondContact O-N 2.89Å; N625-C627 VanDerWaalsContact O-N 3.12Å; N625-C627 PolarHBondContact OD1-N 3.31Å; C627-F645 HydrophobicContact CB-CD1 3.94Å; C627-F645 HydrophobicContact CB-CE1 4.28Å; C627-F645 WeakPolarHBondContact O-CD1 3.35Å; C627-Q647 WeakPolarHBondContact O-CG 3.34Å; C627-C677 WeakPolarHBondContact CA-SG 3.41Å; C627-C677 HydrophobicContact CB-CB 3.95Å; C627-C677 WeakPolarHBondContact CB-SG 3.48Å; C627-C677 WeakPolarHBondContact SG-CA 3.17Å; C627-C677 WeakPolarHBondContact SG-CB 3.28Å; C627-C677 CovalentContact SG-SG 2.05Å; C627-C677 PolarHBondContact SG-SG 2.78Å
628	L	90.3	Very high	88.1	Confident	112 Å²	112	57.4 Å²	57.4	59%	0.586	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-105.8	-9	178	-60	-178.2	0	0	0	113.3	N625 P626 Q647	N625-L628 HydrophobicContact CB-CB 4.24Å; N625-L628 HydrophobicContact CB-CD1 4.1Å; N625-L628 HydrophobicContact CB-CG 4.17Å; N625-L628 PolarHBondContact O-N 2.77Å; P626-L628 PolarHBondContact O-N 3.26Å; L628-Q647 PolarHBondContact O-NE2 3.34Å
629	L	88.3	Confident	88	Confident	47 Å²	47	65.3 Å²	65.3	25%	0.246	36%	0.356	C	S	.	.	S	Bend	trans	-82.1	150.8	-179.6	-68.8	172.5	0	0	0	111.9	N625 P626 N663 Q664 N665	N625-L629 WeakPolarHBondContact O-CG 3.47Å; N625-L629 PolarHBondContact O-N 2.95Å; P626-L629 PolarHBondContact O-N 2.97Å; L629-N663 HydrophobicContact CD1-CB 4.19Å; L629-Q664 HydrophobicContact CD1-CB 3.84Å; L629-N665 HydrophobicContact CB-CB 4.06Å; L629-N665 PolarHBondContact O-ND2 2.57Å
630	P	91	Very high	88.1	Confident	77 Å²	77	67.1 Å²	67.1	50%	0.5	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-71.5	158.5	175.4	30.4	-35.2	0	0	0	111.5	L632 N663	P630-L632 HydrophobicContact CG-CG 4.48Å; P630-L632 PolarHBondContact O-N 2.03Å; P630-N663 PolarHBondContact O-ND2 3.3Å; P630-N663 PolarHBondContact O-OD1 2.84Å
631	M	92.5	Very high	88.3	Confident	72 Å²	72	72.8 Å²	72.8	36%	0.355	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-71.8	126.8	168.3	-177.6	-89.7	-68.9	0	0	110.1	P633 Y644 F655	M631-P633 HydrophobicContact SD-CG 4.05Å; M631-Y644 HydrophobicContact CB-CD1 4.12Å; M631-Y644 HydrophobicContact CB-CD2 3.54Å; M631-Y644 HydrophobicContact CB-CE1 4.3Å; M631-Y644 HydrophobicContact CB-CE2 3.73Å; M631-Y644 HydrophobicContact CB-CG 3.73Å; M631-Y644 HydrophobicContact CG-CD1 3.56Å; M631-Y644 HydrophobicContact CG-CD2 3.95Å; M631-Y644 HydrophobicContact CG-CE1 3.86Å; M631-Y644 HydrophobicContact CG-CE2 4.22Å; M631-Y644 HydrophobicContact CG-CG 3.6Å; M631-F655 HydrophobicContact CG-CB 4.24Å; M631-F655 HydrophobicContact CG-CD1 4.3Å; M631-F655 HydrophobicContact CG-CD2 3.9Å; M631-F655 HydrophobicContact CG-CE2 4.32Å; M631-F655 HydrophobicContact CG-CG 3.89Å; M631-F655 HydrophobicContact SD-CB 4.14Å; M631-F655 HydrophobicContact SD-CD2 3.68Å; M631-F655 HydrophobicContact SD-CE2 4.35Å; M631-F655 HydrophobicContact SD-CG 4.05Å
632	L	91.6	Very high	88.6	Confident	39 Å²	39	73.5 Å²	73.5	20%	0.204	39%	0.392	C	S	.	.			trans	-124.4	117.8	177.9	-67.7	-179.1	0	0	0	110.7	H580 P630 G634 F655 N663	H580-L632 WeakPolarHBondContact CD2-CD1 3.33Å; H580-L632 VanDerWaalsContact NE2-CD1 3.26Å; H580-L632 WeakPolarHBondContact NE2-CD1 3.4Å; P630-L632 HydrophobicContact CG-CG 4.48Å; P630-L632 PolarHBondContact O-N 2.03Å; L632-G634 PolarHBondContact O-N 3.49Å; L632-F655 WeakPolarHBondContact O-CE2 3.07Å; L632-N663 HydrophobicContact CD1-CB 4Å; L632-N663 VanDerWaalsContact CD1-ND2 3.26Å; L632-N663 WeakPolarHBondContact CD1-ND2 3.21Å; L632-N663 WeakPolarHBondContact CG-ND2 3Å
633	P	90.8	Very high	89.2	Confident	64 Å²	64	69.8 Å²	69.8	42%	0.416	37%	0.373	S	S	.	.			trans	-62.1	-22	173	-24.3	34.9	0	0	0	113.8	M631 Y657 T658	M631-P633 HydrophobicContact SD-CG 4.05Å; P633-Y657 WeakPolarHBondContact O-CD2 3.4Å; P633-T658 WeakPolarHBondContact O-CB 3.14Å; P633-T658 PolarHBondContact O-N 3.07Å; P633-T658 PolarHBondContact O-OG1 2.94Å
634	G	88.8	Confident	89.9	Confident	27 Å²	27	66.5 Å²	66.5	28%	0.278	36%	0.357	S	S	.	.			trans	81.2	-159.9	-177.1	0	0	0	0	0	114	L632 T658 R660	L632-G634 PolarHBondContact O-N 3.49Å; G634-T658 WeakPolarHBondContact CA-OG1 3.03Å; G634-T658 PolarHBondContact O-OG1 2.86Å; G634-R660 CarbonylContact C-O 3.58Å; G634-R660 WeakPolarHBondContact CA-O 3.29Å
635	E	86.5	Confident	90.7	Very high	121 Å²	121	65.7 Å²	65.7	57%	0.565	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-120.5	156	170.9	-63.6	-176.2	-175	0	0	112.1	T658 R660 A661	E635-T658 VanDerWaalsContact CA-OG1 3.29Å; E635-T658 WeakPolarHBondContact CA-OG1 3.32Å; E635-T658 PolarHBondContact N-OG1 3.36Å; E635-T658 CarbonylContact O-C 3.5Å; E635-T658 PolarHBondContact O-OG1 2.74Å; E635-T658 VanDerWaalsContact O-OG1 3.12Å; E635-R660 HydrophobicContact CB-CG 4.23Å; E635-R660 PolarHBondContact N-O 2.93Å; E635-R660 WeakPolarHBondContact O-CG 3.25Å; E635-R660 PolarHBondContact O-N 2.98Å; E635-R660 VanDerWaalsContact O-N 3.17Å; E635-A661 HydrophobicContact CB-CB 4.26Å; E635-A661 HydrophobicContact CG-CB 4.13Å
636	G	86.2	Confident	90.9	Very high	36 Å²	36	63.4 Å²	63.4	37%	0.371	33%	0.333	S	S	.	.	S	Bend	trans	123.4	-174.7	179.6	0	0	0	0	0	112.3	T658	G636-T658 CarbonylContact C-O 3.56Å; G636-T658 WeakPolarHBondContact CA-O 3.31Å
637	D	88.1	Confident	90.7	Very high	132 Å²	132	67 Å²	67	71%	0.706	35%	0.348	S	S	*	.	S	Bend	trans	-114.6	2.4	-179.3	62.7	-9.5	0	0	0	113
638	Q	90.5	Very high	90	Very high	87 Å²	87	71 Å²	71	41%	0.407	38%	0.382	S	S	.	.			trans	-74.8	159.4	179.2	-54.5	-62	-49.8	0	0	110.5	A613 L640 T658	A613-Q638 HydrophobicContact CB-CB 4.24Å; A613-Q638 HydrophobicContact CB-CG 3.66Å; Q638-L640 HydrophobicContact CB-CG 4.22Å; Q638-T658 WeakPolarHBondContact CB-O 3.25Å; Q638-T658 PolarHBondContact N-O 3.42Å; Q638-T658 WeakPolarHBondContact O-CA 3.5Å
639	K	90	Very high	89.4	Confident	181 Å²	181	68 Å²	68	79%	0.787	37%	0.37	S	S	*	.			trans	-131.2	64.2	-179.6	-64.7	-173.7	-178.9	-179.1	0	110.2	T656	K639-T656 HydrophobicContact CB-CG2 3.89Å; K639-T656 HydrophobicContact CG-CG2 4.2Å
640	L	91.7	Very high	89	Confident	44 Å²	44	69.9 Å²	69.9	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.6	-177.1	-55.2	172.4	0	0	0	109.5	A613 Q638 R642 Y657	A613-L640 HydrophobicContact CB-CD1 3.94Å; Q638-L640 HydrophobicContact CB-CG 4.22Å; L640-R642 PolarHBondContact O-N 3.13Å; L640-Y657 WeakPolarHBondContact CB-O 3.49Å; L640-Y657 HydrophobicContact CD1-CD1 4.03Å; L640-Y657 PolarHBondContact N-O 2.74Å; L640-Y657 PolarHBondContact O-N 3.34Å
641	K	94.5	Very high	88.7	Confident	119 Å²	119	68.9 Å²	68.9	52%	0.517	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123	173.4	173.1	171.7	173.9	141.5	0	109.4	E654	K641-E654 HydrophobicContact CD-CG 4.37Å; K641-E654 WeakPolarHBondContact CD-OE1 3.48Å; K641-E654 WeakPolarHBondContact CE-OE1 3.28Å; K641-E654 WeakPolarHBondContact CE-OE2 3.4Å; K641-E654 HydrophobicContact CG-CG 3.94Å; K641-E654 VanDerWaalsContact CG-OE1 3.27Å; K641-E654 WeakPolarHBondContact CG-OE1 3.4Å; K641-E654 IonicContact NZ-OE1 2.57Å; K641-E654 PolarHBondContact NZ-OE1 2.79Å; K641-E654 VanDerWaalsContact NZ-OE1 3.12Å; K641-E654 IonicContact NZ-OE2 3Å; K641-E654 PolarHBondContact NZ-OE2 2.79Å
642	R	95.9	Very high	88.7	Confident	17 Å²	17	65.7 Å²	65.7	6%	0.064	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	167.7	-179.3	-64.5	-66.8	178.5	80.3	0.4	110.4	I611 G612 L640 E654 F655 Y657 N666 F667	I611-R642 PolarHBondContact O-NH1 3.43Å; I611-R642 PolarHBondContact O-NH2 3.39Å; G612-R642 PolarHBondContact O-NH2 2.84Å; G612-R642 VanDerWaalsContact O-NH2 3.12Å; L640-R642 PolarHBondContact O-N 3.13Å; R642-E654 CarbonylContact O-C 3.56Å; R642-E654 WeakPolarHBondContact O-CA 3.46Å; R642-F655 HydrophobicContact CB-CD1 4.02Å; R642-F655 HydrophobicContact CB-CE1 3.47Å; R642-F655 VanDerWaalsContact CB-CE1 3.47Å; R642-F655 HydrophobicContact CB-CZ 3.84Å; R642-F655 PolarHBondContact N-O 2.93Å; R642-F655 WeakPolarHBondContact O-CD1 3.48Å; R642-F655 PolarHBondContact O-N 2.04Å; R642-Y657 HydrophobicContact CG-CD1 4.32Å; R642-Y657 HydrophobicContact CG-CG 4.28Å; R642-N666 VanDerWaalsContact CB-OD1 3.25Å; R642-N666 WeakPolarHBondContact CB-OD1 3.31Å; R642-N666 VanDerWaalsContact CD-OD1 3.26Å; R642-N666 WeakPolarHBondContact CD-OD1 3.24Å; R642-N666 WeakPolarHBondContact CG-OD1 3.32Å; R642-N666 PolarHBondContact NH1-ND2 3.31Å; R642-N666 PolarHBondContact NH1-OD1 3.48Å; R642-F667 CarbonylContact C-O 3.6Å; R642-F667 WeakPolarHBondContact CA-O 3.04Å; R642-F667 WeakPolarHBondContact CD-O 2.99Å
643	W	96.4	Very high	88.6	Confident	39 Å²	39	67 Å²	67	15%	0.148	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.2	-179.9	-68	83.4	0	0	0	110.7	C652 L653 E654 F667 S669 E670 C673	W643-C652 HydrophobicContact CE3-CB 4.19Å; W643-C652 VanDerWaalsContact CZ3-O 3.28Å; W643-C652 WeakPolarHBondContact CZ3-O 3.46Å; W643-L653 CarbonylContact C-O 3.5Å; W643-L653 WeakPolarHBondContact CA-O 3.41Å; W643-L653 VanDerWaalsContact CE3-C 3.43Å; W643-E654 HydrophobicContact CD2-CB 4.38Å; W643-E654 HydrophobicContact CE3-CB 4.42Å; W643-E654 HydrophobicContact CH2-CB 4.41Å; W643-E654 HydrophobicContact CZ2-CB 4.34Å; W643-E654 HydrophobicContact CZ3-CB 4.44Å; W643-F667 HydrophobicContact CB-CB 4.26Å; W643-F667 PolarHBondContact N-O 3.2Å; W643-F667 WeakPolarHBondContact O-CD2 3.41Å; W643-F667 PolarHBondContact O-N 2.03Å; W643-S669 VanDerWaalsContact CD1-C 3.42Å; W643-E670 HydrophobicContact CD2-CB 3.8Å; W643-E670 HydrophobicContact CD2-CG 4.32Å; W643-E670 HydrophobicContact CE3-CB 3.94Å; W643-E670 HydrophobicContact CE3-CG 3.93Å; W643-E670 HydrophobicContact CG-CB 4.37Å; W643-E670 HydrophobicContact CH2-CB 4Å; W643-E670 HydrophobicContact CH2-CG 4.03Å; W643-E670 VanDerWaalsContact CH2-OE2 3.27Å; W643-E670 WeakPolarHBondContact CH2-OE2 3.3Å; W643-E670 HydrophobicContact CZ2-CB 3.88Å; W643-E670 HydrophobicContact CZ2-CG 4.43Å; W643-E670 HydrophobicContact CZ3-CB 4.03Å; W643-E670 HydrophobicContact CZ3-CG 3.77Å; W643-C673 HydrophobicContact CB-CB 4.31Å
644	Y	95.3	Very high	88.9	Confident	34 Å²	34	68.8 Å²	68.8	13%	0.133	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.4	174.6	81	-82.9	0	0	0	110.5	M631 N646 C652 L653 F655 N665	M631-Y644 HydrophobicContact CB-CD1 4.12Å; M631-Y644 HydrophobicContact CB-CD2 3.54Å; M631-Y644 HydrophobicContact CB-CE1 4.3Å; M631-Y644 HydrophobicContact CB-CE2 3.73Å; M631-Y644 HydrophobicContact CB-CG 3.73Å; M631-Y644 HydrophobicContact CG-CD1 3.56Å; M631-Y644 HydrophobicContact CG-CD2 3.95Å; M631-Y644 HydrophobicContact CG-CE1 3.86Å; M631-Y644 HydrophobicContact CG-CE2 4.22Å; M631-Y644 HydrophobicContact CG-CG 3.6Å; Y644-N646 HydrophobicContact CD2-CB 4.42Å; Y644-N646 HydrophobicContact CE2-CB 3.68Å; Y644-N646 PolarHBondContact O-N 3.23Å; Y644-N646 PolarHBondContact OH-ND2 2.79Å; Y644-C652 CarbonylContact O-C 3.58Å; Y644-C652 VanDerWaalsContact O-CA 3.32Å; Y644-C652 WeakPolarHBondContact O-CA 3.16Å; Y644-L653 HydrophobicContact CD1-CB 4.15Å; Y644-L653 WeakPolarHBondContact CD1-O 3.45Å; Y644-L653 HydrophobicContact CE1-CB 3.59Å; Y644-L653 PolarHBondContact N-O 2.89Å; Y644-L653 PolarHBondContact O-N 3.21Å; Y644-F655 HydrophobicContact CD1-CB 4.09Å; Y644-F655 AromaticContact CD1-CD1 3.77Å; Y644-F655 HydrophobicContact CD1-CD1 3.77Å; Y644-F655 HydrophobicContact CD1-CG 4.15Å; Y644-F655 HydrophobicContact CE1-CB 4.35Å; Y644-F655 HydrophobicContact CG-CD1 4.34Å; Y644-N665 WeakPolarHBondContact CA-OD1 3.24Å; Y644-N665 VanDerWaalsContact CB-O 3.25Å; Y644-N665 WeakPolarHBondContact CB-O 3Å
645	F	94	Very high	89.2	Confident	9 Å²	9	68.2 Å²	68.2	4%	0.039	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.1	172.3	-176.7	-102.9	0	0	0	110.4	C627 Q647 R650 N665 C677 P678 V679	C627-F645 HydrophobicContact CB-CD1 3.94Å; C627-F645 HydrophobicContact CB-CE1 4.28Å; C627-F645 WeakPolarHBondContact O-CD1 3.35Å; F645-Q647 HydrophobicContact CD1-CG 4.22Å; F645-Q647 HydrophobicContact CE1-CG 4.22Å; F645-R650 HydrophobicContact CE2-CB 4.28Å; F645-R650 HydrophobicContact CZ-CB 4.01Å; F645-R650 HydrophobicContact CZ-CG 4.26Å; F645-N665 PolarHBondContact N-OD1 3.43Å; F645-N665 PolarHBondContact O-ND2 2.99Å; F645-C677 HydrophobicContact CB-CB 3.93Å; F645-C677 HydrophobicContact CD1-CB 4.23Å; F645-C677 HydrophobicContact CD2-CB 3.48Å; F645-C677 VanDerWaalsContact CD2-CB 3.48Å; F645-C677 HydrophobicContact CE2-CB 3.99Å; F645-C677 HydrophobicContact CG-CB 3.61Å; F645-P678 WeakPolarHBondContact CE2-O 3.12Å; F645-P678 HydrophobicContact CZ-CG 4.17Å; F645-P678 WeakPolarHBondContact CZ-O 3.44Å; F645-V679 HydrophobicContact CD2-CG2 4.31Å; F645-V679 HydrophobicContact CE2-CG2 4.27Å
646	N	88.1	Confident	89.5	Confident	39 Å²	39	66.2 Å²	66.2	21%	0.209	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.7	173.7	-174.8	-50	0	0	0	109.7	Y644 A648 S649 R650 Q651 L653	Y644-N646 HydrophobicContact CD2-CB 4.42Å; Y644-N646 HydrophobicContact CE2-CB 3.68Å; Y644-N646 PolarHBondContact O-N 3.23Å; Y644-N646 PolarHBondContact OH-ND2 2.79Å; N646-A648 PolarHBondContact O-N 3Å; N646-A648 WeakPolarHBondContact OD1-CA 3.33Å; N646-A648 WeakPolarHBondContact OD1-CB 3.45Å; N646-A648 PolarHBondContact OD1-N 2.72Å; N646-S649 WeakPolarHBondContact CB-OG 3.48Å; N646-S649 PolarHBondContact O-N 3.4Å; N646-S649 PolarHBondContact OD1-N 3.09Å; N646-S649 PolarHBondContact OD1-OG 2.74Å; N646-R650 WeakPolarHBondContact O-CA 3.39Å; N646-R650 PolarHBondContact O-N 2.88Å; N646-Q651 PolarHBondContact N-O 3.47Å; N646-L653 HydrophobicContact CB-CD1 3.98Å; N646-L653 HydrophobicContact CB-CG 4.47Å
647	Q	83.3	Confident	89.9	Confident	96 Å²	96	64.5 Å²	64.5	45%	0.449	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.8	-178.6	-70.9	174.3	64	0	0	114	C627 L628 F645	C627-Q647 WeakPolarHBondContact O-CG 3.34Å; L628-Q647 PolarHBondContact O-NE2 3.34Å; F645-Q647 HydrophobicContact CD1-CG 4.22Å; F645-Q647 HydrophobicContact CE1-CG 4.22Å
648	A	76.1	Confident	90.2	Very high	98 Å²	98	59.6 Å²	59.6	81%	0.81	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-42.8	-177.3	0	0	0	0	0	112.2	N646	N646-A648 PolarHBondContact O-N 3Å; N646-A648 WeakPolarHBondContact OD1-CA 3.33Å; N646-A648 WeakPolarHBondContact OD1-CB 3.45Å; N646-A648 PolarHBondContact OD1-N 2.72Å
649	S	77.7	Confident	90	Very high	49 Å²	49	55.6 Å²	55.6	34%	0.343	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.7	177	61.5	0	0	0	0	113.7	N646 Q651	N646-S649 WeakPolarHBondContact CB-OG 3.48Å; N646-S649 PolarHBondContact O-N 3.4Å; N646-S649 PolarHBondContact OD1-N 3.09Å; N646-S649 PolarHBondContact OD1-OG 2.74Å; S649-Q651 PolarHBondContact O-N 2.84Å; S649-Q651 PolarHBondContact OG-N 3.32Å
650	R	79.9	Confident	90.1	Very high	88 Å²	88	50 Å²	50	33%	0.332	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.3	-167.9	-53.8	-148.2	-53.9	130.6	-3.6	113	F645 N646 P678 V679 F680	F645-R650 HydrophobicContact CE2-CB 4.28Å; F645-R650 HydrophobicContact CZ-CB 4.01Å; F645-R650 HydrophobicContact CZ-CG 4.26Å; N646-R650 WeakPolarHBondContact O-CA 3.39Å; N646-R650 PolarHBondContact O-N 2.88Å; R650-P678 PolarHBondContact NH1-O 3.39Å; R650-V679 WeakPolarHBondContact O-CA 3.13Å; R650-F680 HydrophobicContact CB-CB 4.02Å; R650-F680 PolarHBondContact O-N 3.06Å
651	Q	85	Confident	89.9	Confident	55 Å²	55	48.2 Å²	48.2	26%	0.257	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.3	177.2	-64.7	-61.4	-34.3	0	0	110.2	N646 S649 L653 F680	N646-Q651 PolarHBondContact N-O 3.47Å; S649-Q651 PolarHBondContact O-N 2.84Å; S649-Q651 PolarHBondContact OG-N 3.32Å; Q651-L653 HydrophobicContact CB-CD2 4.22Å; Q651-L653 HydrophobicContact CB-CG 4.38Å; Q651-F680 PolarHBondContact NE2-O 3.15Å
652	C	92	Very high	89.5	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.9	166.2	-69.6	0	0	0	0	108	W643 Y644 E670 C673 V679	W643-C652 HydrophobicContact CE3-CB 4.19Å; W643-C652 VanDerWaalsContact CZ3-O 3.28Å; W643-C652 WeakPolarHBondContact CZ3-O 3.46Å; Y644-C652 CarbonylContact O-C 3.58Å; Y644-C652 VanDerWaalsContact O-CA 3.32Å; Y644-C652 WeakPolarHBondContact O-CA 3.16Å; C652-E670 HydrophobicContact CB-CG 4.27Å; C652-C673 HydrophobicContact CB-CB 3.74Å; C652-C673 WeakPolarHBondContact CB-SG 3.48Å; C652-C673 WeakPolarHBondContact SG-CB 3.17Å; C652-C673 CovalentContact SG-SG 2.03Å; C652-C673 PolarHBondContact SG-SG 3.22Å; C652-V679 WeakPolarHBondContact SG-CG2 3.18Å
653	L	90.4	Very high	89.3	Confident	67 Å²	67	42.6 Å²	42.6	35%	0.351	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.7	-177.3	-63.2	178.6	0	0	0	110.5	W643 Y644 N646 Q651	W643-L653 CarbonylContact C-O 3.5Å; W643-L653 WeakPolarHBondContact CA-O 3.41Å; W643-L653 VanDerWaalsContact CE3-C 3.43Å; Y644-L653 HydrophobicContact CD1-CB 4.15Å; Y644-L653 WeakPolarHBondContact CD1-O 3.45Å; Y644-L653 HydrophobicContact CE1-CB 3.59Å; Y644-L653 PolarHBondContact N-O 2.89Å; Y644-L653 PolarHBondContact O-N 3.21Å; N646-L653 HydrophobicContact CB-CD1 3.98Å; N646-L653 HydrophobicContact CB-CG 4.47Å; Q651-L653 HydrophobicContact CB-CD2 4.22Å; Q651-L653 HydrophobicContact CB-CG 4.38Å
654	E	95.7	Very high	89	Confident	101 Å²	101	41.9 Å²	41.9	47%	0.472	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.2	176	-176.2	178.7	168	0	0	111.2	K641 R642 W643	K641-E654 HydrophobicContact CD-CG 4.37Å; K641-E654 WeakPolarHBondContact CD-OE1 3.48Å; K641-E654 WeakPolarHBondContact CE-OE1 3.28Å; K641-E654 WeakPolarHBondContact CE-OE2 3.4Å; K641-E654 HydrophobicContact CG-CG 3.94Å; K641-E654 VanDerWaalsContact CG-OE1 3.27Å; K641-E654 WeakPolarHBondContact CG-OE1 3.4Å; K641-E654 IonicContact NZ-OE1 2.57Å; K641-E654 PolarHBondContact NZ-OE1 2.79Å; K641-E654 VanDerWaalsContact NZ-OE1 3.12Å; K641-E654 IonicContact NZ-OE2 3Å; K641-E654 PolarHBondContact NZ-OE2 2.79Å; R642-E654 CarbonylContact O-C 3.56Å; R642-E654 WeakPolarHBondContact O-CA 3.46Å; W643-E654 HydrophobicContact CD2-CB 4.38Å; W643-E654 HydrophobicContact CE3-CB 4.42Å; W643-E654 HydrophobicContact CH2-CB 4.41Å; W643-E654 HydrophobicContact CZ2-CB 4.34Å; W643-E654 HydrophobicContact CZ3-CB 4.44Å
655	F	95.3	Very high	88.9	Confident	15 Å²	15	40.3 Å²	40.3	7%	0.066	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164.7	168.9	79.3	-71.4	0	0	0	111.2	M631 L632 R642 Y644 Y657 N666	M631-F655 HydrophobicContact CG-CB 4.24Å; M631-F655 HydrophobicContact CG-CD1 4.3Å; M631-F655 HydrophobicContact CG-CD2 3.9Å; M631-F655 HydrophobicContact CG-CE2 4.32Å; M631-F655 HydrophobicContact CG-CG 3.89Å; M631-F655 HydrophobicContact SD-CB 4.14Å; M631-F655 HydrophobicContact SD-CD2 3.68Å; M631-F655 HydrophobicContact SD-CE2 4.35Å; M631-F655 HydrophobicContact SD-CG 4.05Å; L632-F655 WeakPolarHBondContact O-CE2 3.07Å; R642-F655 HydrophobicContact CB-CD1 4.02Å; R642-F655 HydrophobicContact CB-CE1 3.47Å; R642-F655 VanDerWaalsContact CB-CE1 3.47Å; R642-F655 HydrophobicContact CB-CZ 3.84Å; R642-F655 PolarHBondContact N-O 2.93Å; R642-F655 WeakPolarHBondContact O-CD1 3.48Å; R642-F655 PolarHBondContact O-N 2.04Å; Y644-F655 HydrophobicContact CD1-CB 4.09Å; Y644-F655 AromaticContact CD1-CD1 3.77Å; Y644-F655 HydrophobicContact CD1-CD1 3.77Å; Y644-F655 HydrophobicContact CD1-CG 4.15Å; Y644-F655 HydrophobicContact CE1-CB 4.35Å; Y644-F655 HydrophobicContact CG-CD1 4.34Å; F655-Y657 HydrophobicContact CE2-CD2 4.28Å; F655-N666 HydrophobicContact CZ-CB 4.03Å
656	T	94	Very high	88.9	Confident	79 Å²	79	40.4 Å²	40.4	49%	0.485	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.9	175.8	-54.4	0	0	0	0	110	K639	K639-T656 HydrophobicContact CB-CG2 3.89Å; K639-T656 HydrophobicContact CG-CG2 4.2Å
657	Y	94.8	Very high	89.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.7	174.6	-178.2	-125.9	0	0	0	111.2	H610 P633 L640 R642 F655 R660 A661 G662 N666	H610-Y657 PolarHBondContact CE1-OH 3.17Å; H610-Y657 AromaticContact NE2-CZ 3.84Å; H610-Y657 PolarHBondContact NE2-OH 3.25Å; P633-Y657 WeakPolarHBondContact O-CD2 3.4Å; L640-Y657 WeakPolarHBondContact CB-O 3.49Å; L640-Y657 HydrophobicContact CD1-CD1 4.03Å; L640-Y657 PolarHBondContact N-O 2.74Å; L640-Y657 PolarHBondContact O-N 3.34Å; R642-Y657 HydrophobicContact CG-CD1 4.32Å; R642-Y657 HydrophobicContact CG-CG 4.28Å; F655-Y657 HydrophobicContact CE2-CD2 4.28Å; Y657-R660 WeakPolarHBondContact OH-CA 3.33Å; Y657-R660 PolarHBondContact OH-N 3.23Å; Y657-R660 PolarHBondContact OH-O 2.88Å; Y657-A661 PolarHBondContact OH-N 3.37Å; Y657-G662 PolarHBondContact OH-N 3.1Å; Y657-N666 WeakPolarHBondContact CD1-ND2 3.21Å; Y657-N666 WeakPolarHBondContact CD2-ND2 3.32Å; Y657-N666 WeakPolarHBondContact CE1-ND2 3.1Å; Y657-N666 WeakPolarHBondContact CE2-ND2 2.97Å
658	T	92.9	Very high	89.6	Confident	29 Å²	29	38.1 Å²	38.1	18%	0.178	21%	0.207	C	C	.	.			trans	-93.9	1.6	-170	55.6	0	0	0	0	114.9	P633 G634 E635 G636 Q638	P633-T658 WeakPolarHBondContact O-CB 3.14Å; P633-T658 PolarHBondContact O-N 3.07Å; P633-T658 PolarHBondContact O-OG1 2.94Å; G634-T658 WeakPolarHBondContact CA-OG1 3.03Å; G634-T658 PolarHBondContact O-OG1 2.86Å; E635-T658 VanDerWaalsContact CA-OG1 3.29Å; E635-T658 WeakPolarHBondContact CA-OG1 3.32Å; E635-T658 PolarHBondContact N-OG1 3.36Å; E635-T658 CarbonylContact O-C 3.5Å; E635-T658 PolarHBondContact O-OG1 2.74Å; E635-T658 VanDerWaalsContact O-OG1 3.12Å; G636-T658 CarbonylContact C-O 3.56Å; G636-T658 WeakPolarHBondContact CA-O 3.31Å; Q638-T658 WeakPolarHBondContact CB-O 3.25Å; Q638-T658 PolarHBondContact N-O 3.42Å; Q638-T658 WeakPolarHBondContact O-CA 3.5Å
659	G	87.9	Confident	90.4	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	110.9	-23.6	165.9	0	0	0	0	0	115.2	G612 A613	G612-G659 CarbonylContact C-O 3.51Å; G612-G659 WeakPolarHBondContact CA-O 3.37Å; A613-G659 PolarHBondContact N-O 3.34Å; A613-G659 VanDerWaalsContact N-O 3.14Å
660	R	90.6	Very high	91	Very high	62 Å²	62	37 Å²	37	23%	0.234	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-147.7	173.6	173.1	62.1	169.8	-175.1	-82.4	-1.6	111.9	P578 T617 G634 E635 Y657 G662	P578-R660 HydrophobicContact CB-CB 4.03Å; T617-R660 HydrophobicContact CG2-CB 4.31Å; G634-R660 CarbonylContact C-O 3.58Å; G634-R660 WeakPolarHBondContact CA-O 3.29Å; E635-R660 HydrophobicContact CB-CG 4.23Å; E635-R660 PolarHBondContact N-O 2.93Å; E635-R660 WeakPolarHBondContact O-CG 3.25Å; E635-R660 PolarHBondContact O-N 2.98Å; E635-R660 VanDerWaalsContact O-N 3.17Å; Y657-R660 WeakPolarHBondContact OH-CA 3.33Å; Y657-R660 PolarHBondContact OH-N 3.23Å; Y657-R660 PolarHBondContact OH-O 2.88Å; R660-G662 VanDerWaalsContact C-N 3.26Å; R660-G662 PolarHBondContact O-N 3.21Å
661	A	87.8	Confident	91.3	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	20%	0.199	C	C	.	.	S	Bend	trans	59.1	31.9	179.3	0	0	0	0	0	114	P578 H580 E635 Y657	P578-A661 VanDerWaalsContact O-CA 3.28Å; P578-A661 WeakPolarHBondContact O-CA 3.45Å; P578-A661 PolarHBondContact O-N 3.27Å; H580-A661 WeakPolarHBondContact CB-O 3.4Å; H580-A661 PolarHBondContact ND1-O 2.7Å; E635-A661 HydrophobicContact CB-CB 4.26Å; E635-A661 HydrophobicContact CG-CB 4.13Å; Y657-A661 PolarHBondContact OH-N 3.37Å
662	G	87.2	Confident	91.6	Very high	2 Å²	2	39 Å²	39	2%	0.021	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-86.6	157.7	170.7	0	0	0	0	0	112.2	Y657 R660	Y657-G662 PolarHBondContact OH-N 3.1Å; R660-G662 VanDerWaalsContact C-N 3.26Å; R660-G662 PolarHBondContact O-N 3.21Å
663	N	90.1	Very high	91.7	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.08	20%	0.195	C	C	.	.			trans	-100.3	-177.3	168.4	69.9	22.6	0	0	0	110.7	W608 L629 P630 L632 N665 N666	W608-N663 VanDerWaalsContact CH2-O 3.28Å; W608-N663 WeakPolarHBondContact CH2-O 3.36Å; L629-N663 HydrophobicContact CD1-CB 4.19Å; P630-N663 PolarHBondContact O-ND2 3.3Å; P630-N663 PolarHBondContact O-OD1 2.84Å; L632-N663 HydrophobicContact CD1-CB 4Å; L632-N663 VanDerWaalsContact CD1-ND2 3.26Å; L632-N663 WeakPolarHBondContact CD1-ND2 3.21Å; L632-N663 WeakPolarHBondContact CG-ND2 3Å; N663-N665 PolarHBondContact O-N 3.36Å; N663-N665 WeakPolarHBondContact OD1-CB 3.35Å; N663-N665 PolarHBondContact OD1-N 3.06Å; N663-N666 WeakPolarHBondContact O-CB 3.47Å
664	Q	90.9	Very high	91.5	Very high	24 Å²	24	37.7 Å²	37.7	11%	0.112	20%	0.196	C	C	.	.	S	Bend	trans	-72.3	-9.6	-172.7	-150.9	164.8	-15	0	0	113.9	W608 G624 P626 L629 N666	W608-Q664 VanDerWaalsContact CB-CD 3.5Å; W608-Q664 HydrophobicContact CB-CG 4.17Å; W608-Q664 VanDerWaalsContact CB-NE2 3.31Å; W608-Q664 HydrophobicContact CD2-CB 3.95Å; W608-Q664 HydrophobicContact CD2-CG 3.45Å; W608-Q664 VanDerWaalsContact CD2-CG 3.45Å; W608-Q664 HydrophobicContact CE3-CB 4.28Å; W608-Q664 HydrophobicContact CE3-CG 3.62Å; W608-Q664 HydrophobicContact CG-CB 4.37Å; W608-Q664 HydrophobicContact CG-CG 3.69Å; W608-Q664 HydrophobicContact CH2-CB 4.4Å; W608-Q664 HydrophobicContact CZ2-CB 4.1Å; W608-Q664 HydrophobicContact CZ2-CG 4.46Å; W608-Q664 HydrophobicContact CZ3-CB 4.47Å; W608-Q664 HydrophobicContact CZ3-CG 4.17Å; G624-Q664 PolarHBondContact O-OE1 2.9Å; P626-Q664 HydrophobicContact CB-CB 4.03Å; P626-Q664 HydrophobicContact CB-CG 4.01Å; P626-Q664 VanDerWaalsContact CB-O 3.27Å; P626-Q664 WeakPolarHBondContact CB-O 3.07Å; P626-Q664 HydrophobicContact CG-CG 4.5Å; L629-Q664 HydrophobicContact CD1-CB 3.84Å; Q664-N666 PolarHBondContact O-N 3.37Å
665	N	93.7	Very high	90.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-83	52.4	171.6	-159.5	3.2	0	0	0	111	P626 L629 Y644 F645 N663 F667	P626-N665 VanDerWaalsContact O-CB 3.24Å; P626-N665 WeakPolarHBondContact O-CB 3.24Å; P626-N665 PolarHBondContact O-ND2 3.47Å; L629-N665 HydrophobicContact CB-CB 4.06Å; L629-N665 PolarHBondContact O-ND2 2.57Å; Y644-N665 WeakPolarHBondContact CA-OD1 3.24Å; Y644-N665 VanDerWaalsContact CB-O 3.25Å; Y644-N665 WeakPolarHBondContact CB-O 3Å; F645-N665 PolarHBondContact N-OD1 3.43Å; F645-N665 PolarHBondContact O-ND2 2.99Å; N663-N665 PolarHBondContact O-N 3.36Å; N663-N665 WeakPolarHBondContact OD1-CB 3.35Å; N663-N665 PolarHBondContact OD1-N 3.06Å; N665-F667 WeakPolarHBondContact OD1-CE2 3.32Å
666	N	93.9	Very high	90.5	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.059	23%	0.229	C	C	.	.			trans	-147	86.8	-172.4	179.8	-8	0	0	0	108.7	R642 F655 Y657 N663 Q664	R642-N666 VanDerWaalsContact CB-OD1 3.25Å; R642-N666 WeakPolarHBondContact CB-OD1 3.31Å; R642-N666 VanDerWaalsContact CD-OD1 3.26Å; R642-N666 WeakPolarHBondContact CD-OD1 3.24Å; R642-N666 WeakPolarHBondContact CG-OD1 3.32Å; R642-N666 PolarHBondContact NH1-ND2 3.31Å; R642-N666 PolarHBondContact NH1-OD1 3.48Å; F655-N666 HydrophobicContact CZ-CB 4.03Å; Y657-N666 WeakPolarHBondContact CD1-ND2 3.21Å; Y657-N666 WeakPolarHBondContact CD2-ND2 3.32Å; Y657-N666 WeakPolarHBondContact CE1-ND2 3.1Å; Y657-N666 WeakPolarHBondContact CE2-ND2 2.97Å; N663-N666 WeakPolarHBondContact O-CB 3.47Å; Q664-N666 PolarHBondContact O-N 3.37Å
667	F	93.8	Very high	90.3	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-96.7	147.1	-176.7	-55.4	-81.9	0	0	0	110.8	P626 R642 W643 N665 S669 E672 C673 K676	P626-F667 HydrophobicContact CB-CE1 4.48Å; P626-F667 HydrophobicContact CB-CZ 3.84Å; P626-F667 HydrophobicContact CG-CZ 4.33Å; R642-F667 CarbonylContact C-O 3.6Å; R642-F667 WeakPolarHBondContact CA-O 3.04Å; R642-F667 WeakPolarHBondContact CD-O 2.99Å; W643-F667 HydrophobicContact CB-CB 4.26Å; W643-F667 PolarHBondContact N-O 3.2Å; W643-F667 WeakPolarHBondContact O-CD2 3.41Å; W643-F667 PolarHBondContact O-N 2.03Å; N665-F667 WeakPolarHBondContact OD1-CE2 3.32Å; F667-S669 VanDerWaalsContact C-N 3.35Å; F667-E672 HydrophobicContact CB-CB 4.35Å; F667-E672 HydrophobicContact CB-CG 4.41Å; F667-E672 HydrophobicContact CD1-CG 3.92Å; F667-C673 HydrophobicContact CB-CB 3.85Å; F667-C673 HydrophobicContact CD1-CB 4.34Å; F667-C673 HydrophobicContact CD2-CB 3.43Å; F667-C673 VanDerWaalsContact CD2-CB 3.43Å; F667-C673 HydrophobicContact CE2-CB 4Å; F667-C673 HydrophobicContact CG-CB 3.62Å; F667-K676 HydrophobicContact CE1-CB 4Å; F667-K676 HydrophobicContact CE1-CD 4.37Å; F667-K676 HydrophobicContact CE1-CG 4.34Å; F667-K676 HydrophobicContact CZ-CB 4.42Å
668	Q	91.4	Very high	89.6	Confident	81 Å²	81	41.2 Å²	41.2	38%	0.379	23%	0.232	S	C	.	.	S	Bend	trans	-75.6	-26.5	179.8	-67.9	-179	86.2	0	0	112.1	E672	Q668-E672 PolarHBondContact N-OE2 2.02Å
669	S	93	Very high	89	Confident	37 Å²	37	41.7 Å²	41.7	26%	0.259	23%	0.234	S	C	.	.	S	Bend	trans	-138.8	165.4	177.3	92.7	0	0	0	0	113.1	W643 F667 E671 E672 C673	W643-S669 VanDerWaalsContact CD1-C 3.42Å; F667-S669 VanDerWaalsContact C-N 3.35Å; S669-E671 VanDerWaalsContact C-N 3.34Å; S669-E671 VanDerWaalsContact CB-OE2 3.22Å; S669-E671 WeakPolarHBondContact CB-OE2 3.39Å; S669-E671 PolarHBondContact OG-N 2.74Å; S669-E671 PolarHBondContact OG-OE2 3.42Å; S669-E672 PolarHBondContact OG-N 2.88Å; S669-E672 VanDerWaalsContact OG-N 3.14Å; S669-C673 PolarHBondContact O-N 2.78Å
670	E	89.9	Confident	88.3	Confident	88 Å²	88	42.1 Å²	42.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-65.9	-40	175.3	-173.4	177.8	175	0	0	110.8	W643 C652 C673 A674	W643-E670 HydrophobicContact CD2-CB 3.8Å; W643-E670 HydrophobicContact CD2-CG 4.32Å; W643-E670 HydrophobicContact CE3-CB 3.94Å; W643-E670 HydrophobicContact CE3-CG 3.93Å; W643-E670 HydrophobicContact CG-CB 4.37Å; W643-E670 HydrophobicContact CH2-CB 4Å; W643-E670 HydrophobicContact CH2-CG 4.03Å; W643-E670 VanDerWaalsContact CH2-OE2 3.27Å; W643-E670 WeakPolarHBondContact CH2-OE2 3.3Å; W643-E670 HydrophobicContact CZ2-CB 3.88Å; W643-E670 HydrophobicContact CZ2-CG 4.43Å; W643-E670 HydrophobicContact CZ3-CB 4.03Å; W643-E670 HydrophobicContact CZ3-CG 3.77Å; C652-E670 HydrophobicContact CB-CG 4.27Å; E670-C673 WeakPolarHBondContact O-CB 3.41Å; E670-C673 PolarHBondContact O-N 3.13Å; E670-A674 WeakPolarHBondContact O-CB 3.48Å; E670-A674 PolarHBondContact O-N 3.2Å
671	E	88	Confident	87.5	Confident	137 Å²	137	44.7 Å²	44.7	64%	0.64	25%	0.25	S	C	*	.	H	α-helix	trans	-65.5	-39.1	179.7	-56.5	76.9	-167.8	0	0	111.8	S669 A674 G675	S669-E671 VanDerWaalsContact C-N 3.34Å; S669-E671 VanDerWaalsContact CB-OE2 3.22Å; S669-E671 WeakPolarHBondContact CB-OE2 3.39Å; S669-E671 PolarHBondContact OG-N 2.74Å; S669-E671 PolarHBondContact OG-OE2 3.42Å; E671-A674 PolarHBondContact O-N 3.11Å; E671-G675 PolarHBondContact O-N 2.79Å
672	E	90.3	Very high	86.8	Confident	46 Å²	46	46.1 Å²	46.1	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-46.9	173.8	-173.2	-168.4	174	0	0	110.6	Q600 F667 Q668 S669 G675 K676	Q600-E672 PolarHBondContact NE2-OE1 3.05Å; F667-E672 HydrophobicContact CB-CB 4.35Å; F667-E672 HydrophobicContact CB-CG 4.41Å; F667-E672 HydrophobicContact CD1-CG 3.92Å; Q668-E672 PolarHBondContact N-OE2 2.02Å; S669-E672 PolarHBondContact OG-N 2.88Å; S669-E672 VanDerWaalsContact OG-N 3.14Å; E672-G675 PolarHBondContact O-N 2.84Å; E672-K676 PolarHBondContact O-N 2.81Å; E672-K676 VanDerWaalsContact O-N 3.1Å
673	C	93.8	Very high	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-45.5	176.8	177.6	0	0	0	0	111.7	W643 C652 F667 S669 E670 G675 K676 C677	W643-C673 HydrophobicContact CB-CB 4.31Å; C652-C673 HydrophobicContact CB-CB 3.74Å; C652-C673 WeakPolarHBondContact CB-SG 3.48Å; C652-C673 WeakPolarHBondContact SG-CB 3.17Å; C652-C673 CovalentContact SG-SG 2.03Å; C652-C673 PolarHBondContact SG-SG 3.22Å; F667-C673 HydrophobicContact CB-CB 3.85Å; F667-C673 HydrophobicContact CD1-CB 4.34Å; F667-C673 HydrophobicContact CD2-CB 3.43Å; F667-C673 VanDerWaalsContact CD2-CB 3.43Å; F667-C673 HydrophobicContact CE2-CB 4Å; F667-C673 HydrophobicContact CG-CB 3.62Å; S669-C673 PolarHBondContact O-N 2.78Å; E670-C673 WeakPolarHBondContact O-CB 3.41Å; E670-C673 PolarHBondContact O-N 3.13Å; C673-G675 VanDerWaalsContact C-N 3.34Å; C673-G675 PolarHBondContact O-N 2.99Å; C673-K676 PolarHBondContact O-N 3.27Å; C673-C677 WeakPolarHBondContact O-CB 3.26Å; C673-C677 PolarHBondContact O-N 2.73Å
674	A	85.7	Confident	86	Confident	46 Å²	46	45.9 Å²	45.9	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-30.2	-179.6	0	0	0	0	0	113.3	E670 E671 C677 V679	E670-A674 WeakPolarHBondContact O-CB 3.48Å; E670-A674 PolarHBondContact O-N 3.2Å; E671-A674 PolarHBondContact O-N 3.11Å; A674-C677 VanDerWaalsContact O-O 3.09Å; A674-V679 HydrophobicContact CB-CG2 3.91Å
675	G	84.8	Confident	85.3	Confident	70 Å²	70	48.1 Å²	48.1	72%	0.722	27%	0.272	S	S	*	.	H	α-helix	trans	-74.1	-33.2	174.4	0	0	0	0	0	113.6	E671 E672 C673	E671-G675 PolarHBondContact O-N 2.79Å; E672-G675 PolarHBondContact O-N 2.84Å; C673-G675 VanDerWaalsContact C-N 3.34Å; C673-G675 PolarHBondContact O-N 2.99Å
676	K	85.9	Confident	84.1	Confident	118 Å²	118	52.2 Å²	52.2	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-90.7	-28.7	-179.8	-64	-141.7	-173.4	-179.4	0	114	Q600 F667 E672 C673	Q600-K676 VanDerWaalsContact OE1-NZ 3.1Å; F667-K676 HydrophobicContact CE1-CB 4Å; F667-K676 HydrophobicContact CE1-CD 4.37Å; F667-K676 HydrophobicContact CE1-CG 4.34Å; F667-K676 HydrophobicContact CZ-CB 4.42Å; E672-K676 PolarHBondContact O-N 2.81Å; E672-K676 VanDerWaalsContact O-N 3.1Å; C673-K676 PolarHBondContact O-N 3.27Å
677	C	89.5	Confident	82.4	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.041	32%	0.318	C	S	.	.	S	Bend	trans	-118.1	150.2	-175.5	-68.1	0	0	0	0	113.2	C627 F645 C673 A674 V679	C627-C677 WeakPolarHBondContact CA-SG 3.41Å; C627-C677 HydrophobicContact CB-CB 3.95Å; C627-C677 WeakPolarHBondContact CB-SG 3.48Å; C627-C677 WeakPolarHBondContact SG-CA 3.17Å; C627-C677 WeakPolarHBondContact SG-CB 3.28Å; C627-C677 CovalentContact SG-SG 2.05Å; C627-C677 PolarHBondContact SG-SG 2.78Å; F645-C677 HydrophobicContact CB-CB 3.93Å; F645-C677 HydrophobicContact CD1-CB 4.23Å; F645-C677 HydrophobicContact CD2-CB 3.48Å; F645-C677 VanDerWaalsContact CD2-CB 3.48Å; F645-C677 HydrophobicContact CE2-CB 3.99Å; F645-C677 HydrophobicContact CG-CB 3.61Å; C673-C677 WeakPolarHBondContact O-CB 3.26Å; C673-C677 PolarHBondContact O-N 2.73Å; A674-C677 VanDerWaalsContact O-O 3.09Å; C677-V679 VanDerWaalsContact C-N 3.32Å; C677-V679 PolarHBondContact O-N 2.94Å
678	P	80.4	Confident	80.7	Confident	76 Å²	76	64.4 Å²	64.4	49%	0.494	36%	0.356	S	S	.	.			trans	-76.4	82.6	-175.7	32.2	-36	0	0	0	110.7	F645 R650	F645-P678 WeakPolarHBondContact CE2-O 3.12Å; F645-P678 HydrophobicContact CZ-CG 4.17Å; F645-P678 WeakPolarHBondContact CZ-O 3.44Å; R650-P678 PolarHBondContact NH1-O 3.39Å
679	V	79.7	Confident	78.9	Confident	39 Å²	39	61.5 Å²	61.5	24%	0.236	34%	0.344	C	S	.	.			trans	-68.4	140	175.1	176.7	0	0	0	0	110.2	F645 R650 C652 A674 C677 E681	F645-V679 HydrophobicContact CD2-CG2 4.31Å; F645-V679 HydrophobicContact CE2-CG2 4.27Å; R650-V679 WeakPolarHBondContact O-CA 3.13Å; C652-V679 WeakPolarHBondContact SG-CG2 3.18Å; A674-V679 HydrophobicContact CB-CG2 3.91Å; C677-V679 VanDerWaalsContact C-N 3.32Å; C677-V679 PolarHBondContact O-N 2.94Å; V679-E681 PolarHBondContact O-N 2.8Å
680	F	75	Confident	76.8	Confident	11 Å²	11	62 Å²	62	5%	0.048	36%	0.355	C	S	.	.			trans	-81.1	110.9	172.5	174.9	-99.2	0	0	0	110.1	R650 Q651 N682 I693 A717 V720	R650-F680 HydrophobicContact CB-CB 4.02Å; R650-F680 PolarHBondContact O-N 3.06Å; Q651-F680 PolarHBondContact NE2-O 3.15Å; F680-N682 HydrophobicContact CE1-CB 4.27Å; F680-I693 HydrophobicContact CD1-CD1 3.26Å; F680-I693 HydrophobicContact CD1-CG1 4.19Å; F680-I693 HydrophobicContact CE1-CB 4.31Å; F680-I693 HydrophobicContact CE1-CD1 3.29Å; F680-I693 HydrophobicContact CE1-CG1 3.69Å; F680-I693 HydrophobicContact CE1-CG2 3.79Å; F680-I693 HydrophobicContact CG-CD1 4.37Å; F680-I693 HydrophobicContact CZ-CD1 4.44Å; F680-I693 HydrophobicContact CZ-CG2 3.89Å; F680-A717 WeakPolarHBondContact CE2-O 3.33Å; F680-V720 HydrophobicContact CE2-CG1 4.44Å; F680-V720 HydrophobicContact CZ-CG1 3.89Å
681	E	72.1	Confident	75	Confident	116 Å²	116	66 Å²	66	54%	0.542	38%	0.379	S	S	.	.			trans	-83	124.8	169.1	-57.9	-176.9	-167.4	0	0	109.9	V679 P683 W743	V679-E681 PolarHBondContact O-N 2.8Å; E681-P683 VanDerWaalsContact O-CD 3.29Å; E681-P683 WeakPolarHBondContact O-CD 3.38Å; E681-W743 HydrophobicContact CB-CH2 3.65Å; E681-W743 HydrophobicContact CB-CZ2 3.66Å; E681-W743 HydrophobicContact CG-CH2 4.03Å; E681-W743 HydrophobicContact CG-CZ2 4.29Å; E681-W743 WeakPolarHBondContact OE2-CH2 3.08Å; E681-W743 WeakPolarHBondContact OE2-CZ2 3.35Å
682	N	74.8	Confident	73.7	Confident	39 Å²	39	68.3 Å²	68.3	21%	0.209	39%	0.387	C	S	.	.			trans	-69.9	115.1	-179.6	-175.4	-6.5	0	0	0	110	F680 C684 P687	F680-N682 HydrophobicContact CE1-CB 4.27Å; N682-C684 PolarHBondContact O-N 2.78Å; N682-C684 VanDerWaalsContact OD1-CB 3.27Å; N682-C684 WeakPolarHBondContact OD1-CB 3.35Å; N682-C684 PolarHBondContact OD1-N 3.21Å; N682-C684 PolarHBondContact OD1-SG 2.96Å; N682-P687 PolarHBondContact ND2-O 2.86Å
683	P	79.9	Confident	72.8	Confident	2 Å²	2	69 Å²	69	1%	0.013	39%	0.392	C	S	.	.			trans	-81.5	1	-176.1	38.1	-40	0	0	0	112.8	E681 H711 T718 V720 A767 G768	E681-P683 VanDerWaalsContact O-CD 3.29Å; E681-P683 WeakPolarHBondContact O-CD 3.38Å; P683-H711 VanDerWaalsContact CB-CE1 3.48Å; P683-H711 WeakPolarHBondContact CB-CE1 3.32Å; P683-H711 PolarHBondContact O-CD2 3.44Å; P683-H711 PolarHBondContact O-NE2 2.86Å; P683-H711 VanDerWaalsContact O-NE2 3.13Å; P683-T718 WeakPolarHBondContact CG-O 3.15Å; P683-V720 HydrophobicContact CG-CG2 3.58Å; P683-A767 HydrophobicContact CB-CB 3.91Å; P683-G768 WeakPolarHBondContact O-CA 3.49Å; P683-G768 PolarHBondContact O-N 3.26Å
684	C	80.6	Confident	72	Confident	9 Å²	9	72.3 Å²	72.3	6%	0.061	41%	0.408	C	S	.	.	S	Bend	trans	-68.7	146.8	-179.5	-64.2	0	0	0	0	112.6	N682 D686 C722	N682-C684 PolarHBondContact O-N 2.78Å; N682-C684 VanDerWaalsContact OD1-CB 3.27Å; N682-C684 WeakPolarHBondContact OD1-CB 3.35Å; N682-C684 PolarHBondContact OD1-N 3.21Å; N682-C684 PolarHBondContact OD1-SG 2.96Å; C684-D686 PolarHBondContact O-N 3.38Å; C684-D686 VanDerWaalsContact O-N 3.15Å; C684-C722 WeakPolarHBondContact CA-SG 3.27Å; C684-C722 HydrophobicContact CB-CB 3.78Å; C684-C722 WeakPolarHBondContact CB-SG 3.3Å; C684-C722 WeakPolarHBondContact SG-CA 3.39Å; C684-C722 WeakPolarHBondContact SG-CB 3.44Å; C684-C722 CovalentContact SG-SG 2.03Å; C684-C722 PolarHBondContact SG-SG 2.01Å
685	P	75.3	Confident	71.8	Confident	72 Å²	72	75.2 Å²	75.2	47%	0.468	41%	0.414	S	S	.	.	S	Bend	trans	-59	-26.8	177	-23.2	32.7	0	0	0	114.4	W709 G769	P685-W709 HydrophobicContact CG-CZ2 4.14Å; P685-G769 WeakPolarHBondContact CG-O 3.45Å
686	D	69.2	Low	71.5	Confident	86 Å²	86	72.1 Å²	72.1	46%	0.46	38%	0.381	S	S	.	.	S	Bend	trans	-117.4	106.7	167.8	-168.7	-13.4	0	0	0	108.4	C684 K688 S689	C684-D686 PolarHBondContact O-N 3.38Å; C684-D686 VanDerWaalsContact O-N 3.15Å; D686-K688 PolarHBondContact O-N 2.04Å; D686-K688 WeakPolarHBondContact OD1-CB 3.24Å; D686-K688 PolarHBondContact OD1-N 2.81Å; D686-K688 VanDerWaalsContact OD1-N 3.13Å; D686-S689 PolarHBondContact O-N 3.26Å
687	P	58.3	Low	70.7	Confident	88 Å²	88	69.8 Å²	69.8	57%	0.571	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.5	-179.9	-23.5	32.6	0	0	0	113.5	N682 S689	N682-P687 PolarHBondContact ND2-O 2.86Å; P687-S689 PolarHBondContact O-N 2.84Å; P687-S689 VanDerWaalsContact O-N 3.15Å
688	K	56.6	Low	69.3	Low	186 Å²	186	71.5 Å²	71.5	81%	0.809	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	7.2	-177.1	-61.4	-171.7	179.7	-177	0	114.7	D686 G690	D686-K688 PolarHBondContact O-N 2.04Å; D686-K688 WeakPolarHBondContact OD1-CB 3.24Å; D686-K688 PolarHBondContact OD1-N 2.81Å; D686-K688 VanDerWaalsContact OD1-N 3.13Å; K688-G690 PolarHBondContact O-N 3.17Å; K688-G690 VanDerWaalsContact O-N 3.08Å
689	S	53.7	Low	68.2	Low	20 Å²	20	77 Å²	77	14%	0.14	41%	0.414	C	S	.	.	S	Bend	trans	-60.7	111.9	170.6	-174	0	0	0	0	109	D686 P687	D686-S689 PolarHBondContact O-N 3.26Å; P687-S689 PolarHBondContact O-N 2.84Å; P687-S689 VanDerWaalsContact O-N 3.15Å
690	G	50.6	Low	67.1	Low	46 Å²	46	78.3 Å²	78.3	47%	0.474	42%	0.423	S	S	.	.			trans	-50.6	165.3	-158.1	0	0	0	0	0	118.5	K688 K692	K688-G690 PolarHBondContact O-N 3.17Å; K688-G690 VanDerWaalsContact O-N 3.08Å; G690-K692 CarbonylContact O-C 3.59Å; G690-K692 PolarHBondContact O-N 3.15Å
691	D	51.6	Low	66	Low	174 Å²	174	80.7 Å²	80.7	93%	0.93	43%	0.433	S	S	*	.	S	Bend	trans	-40.6	-14.5	-165.6	-66.4	-19.3	0	0	0	119.4
692	K	60.4	Low	65.3	Low	184 Å²	184	83 Å²	83	80%	0.8	45%	0.449	S	S	*	.			trans	-109.3	97.4	175.7	-74.9	-174.6	177.6	-179.8	0	111.1	G690 I694	G690-K692 CarbonylContact O-C 3.59Å; G690-K692 PolarHBondContact O-N 3.15Å; K692-I694 PolarHBondContact O-N 3.46Å
693	I	72.1	Confident	64.9	Low	61 Å²	61	83.5 Å²	83.5	31%	0.313	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-67.1	121	169	-64.5	141.1	0	0	0	109.2	F680 V720	F680-I693 HydrophobicContact CD1-CD1 3.26Å; F680-I693 HydrophobicContact CD1-CG1 4.19Å; F680-I693 HydrophobicContact CE1-CB 4.31Å; F680-I693 HydrophobicContact CE1-CD1 3.29Å; F680-I693 HydrophobicContact CE1-CG1 3.69Å; F680-I693 HydrophobicContact CE1-CG2 3.79Å; F680-I693 HydrophobicContact CG-CD1 4.37Å; F680-I693 HydrophobicContact CZ-CD1 4.44Å; F680-I693 HydrophobicContact CZ-CG2 3.89Å; I693-V720 HydrophobicContact CG2-CB 4.06Å; I693-V720 HydrophobicContact CG2-CG1 3.53Å
694	I	77	Confident	64.7	Low	69 Å²	69	84.2 Å²	84.2	35%	0.354	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-103.7	120.3	175.6	-59.3	170.8	0	0	0	107.7	K692 P705 V720 C721	K692-I694 PolarHBondContact O-N 3.46Å; I694-P705 HydrophobicContact CD1-CG 3.76Å; I694-V720 CarbonylContact O-C 3.47Å; I694-V720 VanDerWaalsContact O-CA 3.27Å; I694-V720 WeakPolarHBondContact O-CA 3.49Å; I694-C721 HydrophobicContact CB-CB 4.1Å; I694-C721 HydrophobicContact CG2-CB 4.48Å; I694-C721 PolarHBondContact O-N 2.91Å
695	H	80.4	Confident	64.5	Low	108 Å²	108	86.6 Å²	86.6	50%	0.5	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-75.8	142.5	175	-72.8	-81.8	0	0	0	111.4	S716 A717 S719	H695-S716 PolarHBondContact ND1-O 2.81Å; H695-A717 PolarHBondContact CE1-O 3.1Å; H695-A717 VanDerWaalsContact CE1-O 3.24Å; H695-S719 WeakPolarHBondContact CA-O 3.38Å
696	C	78.7	Confident	64.5	Low	5 Å²	5	88.2 Å²	88.2	3%	0.034	50%	0.498	C	S	.	.			trans	-132.5	165.2	175.5	68	0	0	0	0	110.2	C710 S719 V720	C696-C710 HydrophobicContact CB-CB 3.8Å; C696-C710 WeakPolarHBondContact CB-SG 3.37Å; C696-C710 WeakPolarHBondContact SG-CA 2.99Å; C696-C710 WeakPolarHBondContact SG-CB 3.02Å; C696-C710 CovalentContact SG-SG 2.03Å; C696-C710 PolarHBondContact SG-SG 3.3Å; C696-S719 PolarHBondContact N-O 3.1Å; C696-S719 WeakPolarHBondContact O-CB 3.47Å; C696-V720 PolarHBondContact SG-O 3.25Å; C696-V720 VanDerWaalsContact SG-O 3.41Å
697	T	68.8	Low	64.7	Low	69 Å²	69	86.6 Å²	86.6	42%	0.423	50%	0.502	S	S	.	.			trans	-124.6	156.6	175.2	73	0	0	0	0	110.2	Q699 T700	T697-Q699 PolarHBondContact O-N 2.87Å; T697-Q699 VanDerWaalsContact O-N 3.09Å; T697-T700 PolarHBondContact N-OG1 3.14Å; T697-T700 CarbonylContact O-C 3.4Å; T697-T700 PolarHBondContact O-N 2.85Å; T697-T700 VanDerWaalsContact O-N 3.12Å; T697-T700 PolarHBondContact OG1-N 2.82Å; T697-T700 PolarHBondContact OG1-OG1 3.38Å
698	G	61.4	Low	65.8	Low	41 Å²	41	87.2 Å²	87.2	42%	0.423	49%	0.493	S	S	.	.	S	Bend	trans	-59.8	-20.2	177.2	0	0	0	0	0	114.4
699	Q	56.5	Low	66.7	Low	191 Å²	191	80.2 Å²	80.2	89%	0.893	46%	0.462	S	S	*	.	S	Bend	trans	-87	-34.6	176.5	-66.1	-172.5	-12.5	0	0	112.4	T697 K701	T697-Q699 PolarHBondContact O-N 2.87Å; T697-Q699 VanDerWaalsContact O-N 3.09Å; Q699-K701 PolarHBondContact O-N 3.39Å
700	T	55.7	Low	68	Low	67 Å²	67	80 Å²	80	41%	0.411	46%	0.461	S	S	.	.			trans	-98.5	58.3	-177.8	63.1	0	0	0	0	111.2	T697 D702 A703	T697-T700 PolarHBondContact N-OG1 3.14Å; T697-T700 CarbonylContact O-C 3.4Å; T697-T700 PolarHBondContact O-N 2.85Å; T697-T700 VanDerWaalsContact O-N 3.12Å; T697-T700 PolarHBondContact OG1-N 2.82Å; T697-T700 PolarHBondContact OG1-OG1 3.38Å; T700-D702 PolarHBondContact O-N 2.93Å; T700-D702 VanDerWaalsContact O-N 3.12Å; T700-A703 WeakPolarHBondContact O-CB 2.94Å; T700-A703 PolarHBondContact O-N 2.93Å
701	K	53.3	Low	69.6	Low	62 Å²	62	77.9 Å²	77.9	27%	0.27	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-58.9	-24.9	179.1	-88.5	-174.8	179.5	176.9	0	113.8	Q699 A703 E779	Q699-K701 PolarHBondContact O-N 3.39Å; K701-A703 VanDerWaalsContact C-N 3.26Å; K701-A703 PolarHBondContact O-N 2.9Å; K701-E779 IonicContact NZ-OE1 3.12Å; K701-E779 PolarHBondContact NZ-OE1 2.65Å
702	D	56.2	Low	71	Confident	164 Å²	164	71.1 Å²	71.1	88%	0.877	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-83.6	3.9	176.6	-54.1	-35.7	0	0	0	113.3	T700 C704	T700-D702 PolarHBondContact O-N 2.93Å; T700-D702 VanDerWaalsContact O-N 3.12Å; D702-C704 VanDerWaalsContact C-N 3.27Å; D702-C704 PolarHBondContact O-N 3.18Å
703	A	66	Low	72	Confident	49 Å²	49	62.7 Å²	62.7	41%	0.405	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-73.2	-18.7	177.8	0	0	0	0	0	113.3	T700 K701	T700-A703 WeakPolarHBondContact O-CB 2.94Å; T700-A703 PolarHBondContact O-N 2.93Å; K701-A703 VanDerWaalsContact C-N 3.26Å; K701-A703 PolarHBondContact O-N 2.9Å
704	C	76.4	Confident	72.3	Confident	18 Å²	18	62.9 Å²	62.9	12%	0.122	37%	0.369	C	S	.	.	S	Bend	trans	-84.2	137	-180	-64.2	0	0	0	0	111.4	D702 C710 C721	D702-C704 VanDerWaalsContact C-N 3.27Å; D702-C704 PolarHBondContact O-N 3.18Å; C704-C710 VanDerWaalsContact SG-CA 3.59Å; C704-C721 WeakPolarHBondContact CA-SG 3.32Å; C704-C721 HydrophobicContact CB-CB 3.79Å; C704-C721 WeakPolarHBondContact CB-SG 3.47Å; C704-C721 VanDerWaalsContact SG-CA 3.5Å; C704-C721 WeakPolarHBondContact SG-CB 3.21Å; C704-C721 CovalentContact SG-SG 2.04Å; C704-C721 PolarHBondContact SG-SG 3.15Å
705	P	77.1	Confident	72.2	Confident	58 Å²	58	63.2 Å²	63.2	38%	0.377	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-57.9	159.7	175.8	-22.5	32.4	0	0	0	112.7	I694 G707 Y708	I694-P705 HydrophobicContact CD1-CG 3.76Å; P705-G707 PolarHBondContact O-N 3.44Å; P705-Y708 HydrophobicContact CB-CD2 4Å; P705-Y708 HydrophobicContact CG-CD2 4.44Å; P705-Y708 WeakPolarHBondContact O-CB 3.44Å; P705-Y708 PolarHBondContact O-N 3.2Å
706	A	75.5	Confident	71.9	Confident	106 Å²	106	62.9 Å²	62.9	88%	0.876	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	129.2	175.5	0	0	0	0	0	111.3
707	G	73	Confident	71.6	Confident	52 Å²	52	64.1 Å²	64.1	54%	0.536	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	1.3	-173.6	0	0	0	0	0	114.8	P705 G724	P705-G707 PolarHBondContact O-N 3.44Å; G707-G724 PolarHBondContact O-N 3.24Å
708	Y	79.9	Confident	72.1	Confident	101 Å²	101	61.6 Å²	61.6	40%	0.396	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.7	174	-65.5	-102.2	0	0	0	110.6	P705 C721 C722	P705-Y708 HydrophobicContact CB-CD2 4Å; P705-Y708 HydrophobicContact CG-CD2 4.44Å; P705-Y708 WeakPolarHBondContact O-CB 3.44Å; P705-Y708 PolarHBondContact O-N 3.2Å; Y708-C721 HydrophobicContact CD1-CB 4.4Å; Y708-C722 VanDerWaalsContact CA-O 3.27Å; Y708-C722 WeakPolarHBondContact CA-O 3.03Å
709	W	77.5	Confident	73.1	Confident	40 Å²	40	60.1 Å²	60.1	15%	0.152	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.6	172	65.6	-78.8	0	0	0	109.7	P685 H711 C721 C722	P685-W709 HydrophobicContact CG-CZ2 4.14Å; W709-H711 HydrophobicContact CE3-CB 4.44Å; W709-H711 HydrophobicContact CH2-CB 3.89Å; W709-H711 AromaticContact CH2-CD2 3.9Å; W709-H711 HydrophobicContact CZ2-CB 4.45Å; W709-H711 HydrophobicContact CZ3-CB 3.89Å; W709-H711 PolarHBondContact O-N 3.03Å; W709-C721 CarbonylContact O-C 3.36Å; W709-C721 WeakPolarHBondContact O-CA 3.29Å; W709-C722 HydrophobicContact CD2-CB 4.42Å; W709-C722 HydrophobicContact CZ2-CB 3.99Å; W709-C722 PolarHBondContact N-O 2.92Å; W709-C722 PolarHBondContact O-N 3.04Å
710	C	79.8	Confident	74.4	Confident	16 Å²	16	51.1 Å²	51.1	11%	0.108	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	108	177.4	179.3	0	0	0	0	110.1	C696 C704 V712	C696-C710 HydrophobicContact CB-CB 3.8Å; C696-C710 WeakPolarHBondContact CB-SG 3.37Å; C696-C710 WeakPolarHBondContact SG-CA 2.99Å; C696-C710 WeakPolarHBondContact SG-CB 3.02Å; C696-C710 CovalentContact SG-SG 2.03Å; C696-C710 PolarHBondContact SG-SG 3.3Å; C704-C710 VanDerWaalsContact SG-CA 3.59Å; C710-V712 PolarHBondContact O-N 3.31Å
711	H	83.8	Confident	75.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.3	166.4	171.4	-71.7	0	0	0	108.7	P683 W709 G713 T718 S719 V720 C722 Y764 G766 G768	P683-H711 VanDerWaalsContact CB-CE1 3.48Å; P683-H711 WeakPolarHBondContact CB-CE1 3.32Å; P683-H711 PolarHBondContact O-CD2 3.44Å; P683-H711 PolarHBondContact O-NE2 2.86Å; P683-H711 VanDerWaalsContact O-NE2 3.13Å; W709-H711 HydrophobicContact CE3-CB 4.44Å; W709-H711 HydrophobicContact CH2-CB 3.89Å; W709-H711 AromaticContact CH2-CD2 3.9Å; W709-H711 HydrophobicContact CZ2-CB 4.45Å; W709-H711 HydrophobicContact CZ3-CB 3.89Å; W709-H711 PolarHBondContact O-N 3.03Å; H711-G713 PolarHBondContact ND1-N 3.4Å; H711-T718 PolarHBondContact CE1-O 3.41Å; H711-T718 PolarHBondContact ND1-O 2.9Å; H711-S719 CarbonylContact O-C 3.55Å; H711-S719 WeakPolarHBondContact O-CA 3.37Å; H711-V720 WeakPolarHBondContact CA-O 3.29Å; H711-V720 WeakPolarHBondContact CB-O 3.26Å; H711-V720 PolarHBondContact N-O 2.99Å; H711-V720 PolarHBondContact O-N 2.82Å; H711-C722 HydrophobicContact CB-CB 4.42Å; H711-C722 WeakPolarHBondContact CB-SG 3.3Å; H711-Y764 PolarHBondContact CE1-OH 3.4Å; H711-Y764 PolarHBondContact NE2-OH 2.99Å; H711-G766 PolarHBondContact CE1-O 2.78Å; H711-G768 PolarHBondContact NE2-O 2.72Å
712	V	81.2	Confident	77.1	Confident	32 Å²	32	45.3 Å²	45.3	19%	0.194	29%	0.291	C	S	.	.			trans	-100.7	96	179.1	-176.1	0	0	0	0	108.6	C710 R749	C710-V712 PolarHBondContact O-N 3.31Å; V712-R749 VanDerWaalsContact O-CZ 3.3Å; V712-R749 PolarHBondContact O-NH1 3.21Å; V712-R749 PolarHBondContact O-NH2 2.61Å
713	G	80.9	Confident	78.1	Confident	6 Å²	6	39.8 Å²	39.8	6%	0.062	27%	0.265	C	S	.	.			trans	-75.3	-161.7	176.5	0	0	0	0	0	113	H711 T718 S719 R749 G766	H711-G713 PolarHBondContact ND1-N 3.4Å; G713-T718 WeakPolarHBondContact CA-O 3.34Å; G713-T718 WeakPolarHBondContact CA-OG1 3.49Å; G713-T718 PolarHBondContact N-O 2.76Å; G713-S719 PolarHBondContact N-OG 3.15Å; G713-R749 PolarHBondContact O-NH2 2.95Å; G713-G766 WeakPolarHBondContact CA-O 3.4Å
714	L	79.7	Confident	78	Confident	65 Å²	65	38.3 Å²	38.3	34%	0.34	25%	0.254	S	S	.	.	S	Bend	trans	-85.7	-20.6	176.9	-57.8	-178.6	0	0	0	113.1	T718 A745 A747	L714-T718 PolarHBondContact N-OG1 2.73Å; L714-T718 VanDerWaalsContact N-OG1 3.12Å; L714-A745 HydrophobicContact CD1-CB 3.56Å; L714-A745 VanDerWaalsContact CD1-O 3.3Å; L714-A745 WeakPolarHBondContact CD1-O 3.44Å; L714-A747 HydrophobicContact CD2-CB 3.29Å
715	T	74.9	Confident	77	Confident	76 Å²	76	41.6 Å²	41.6	47%	0.466	28%	0.278	S	S	.	.	S	Bend	trans	-129	165.9	-180	66.8	0	0	0	0	110	A717 T718 S719	T715-A717 PolarHBondContact O-N 2.8Å; T715-A717 PolarHBondContact OG1-N 2.77Å; T715-T718 PolarHBondContact N-OG1 3.3Å; T715-T718 CarbonylContact O-C 3.57Å; T715-T718 PolarHBondContact O-N 2.81Å; T715-T718 PolarHBondContact O-OG1 2.62Å; T715-T718 PolarHBondContact OG1-N 2.95Å; T715-T718 PolarHBondContact OG1-OG1 2.81Å; T715-S719 PolarHBondContact O-N 3.07Å; T715-S719 VanDerWaalsContact O-N 3.13Å; T715-S719 PolarHBondContact O-OG 2.96Å
716	S	72.8	Confident	75.7	Confident	101 Å²	101	50 Å²	50	71%	0.706	30%	0.302	S	S	*	.	S	Bend	trans	-61.3	-32.4	171.3	49.2	0	0	0	0	111.9	H695 S719	H695-S716 PolarHBondContact ND1-O 2.81Å; S716-S719 PolarHBondContact O-N 3.18Å
717	A	73	Confident	74.4	Confident	31 Å²	31	51.7 Å²	51.7	26%	0.256	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-44.5	174.4	0	0	0	0	0	111.2	F680 H695 T715 S719	F680-A717 WeakPolarHBondContact CE2-O 3.33Å; H695-A717 PolarHBondContact CE1-O 3.1Å; H695-A717 VanDerWaalsContact CE1-O 3.24Å; T715-A717 PolarHBondContact O-N 2.8Å; T715-A717 PolarHBondContact OG1-N 2.77Å; A717-S719 PolarHBondContact O-N 3.23Å
718	T	78.5	Confident	73.5	Confident	17 Å²	17	51.5 Å²	51.5	10%	0.104	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	7.8	177.8	54.4	0	0	0	0	113.9	P683 H711 G713 L714 T715	P683-T718 WeakPolarHBondContact CG-O 3.15Å; H711-T718 PolarHBondContact CE1-O 3.41Å; H711-T718 PolarHBondContact ND1-O 2.9Å; G713-T718 WeakPolarHBondContact CA-O 3.34Å; G713-T718 WeakPolarHBondContact CA-OG1 3.49Å; G713-T718 PolarHBondContact N-O 2.76Å; L714-T718 PolarHBondContact N-OG1 2.73Å; L714-T718 VanDerWaalsContact N-OG1 3.12Å; T715-T718 PolarHBondContact N-OG1 3.3Å; T715-T718 CarbonylContact O-C 3.57Å; T715-T718 PolarHBondContact O-N 2.81Å; T715-T718 PolarHBondContact O-OG1 2.62Å; T715-T718 PolarHBondContact OG1-N 2.95Å; T715-T718 PolarHBondContact OG1-OG1 2.81Å
719	S	84.1	Confident	72.4	Confident	10 Å²	10	50.4 Å²	50.4	7%	0.07	29%	0.292	C	S	.	.			trans	-99.1	96.4	174.6	-60.5	0	0	0	0	110.4	H695 C696 H711 G713 T715 S716 A717	H695-S719 WeakPolarHBondContact CA-O 3.38Å; C696-S719 PolarHBondContact N-O 3.1Å; C696-S719 WeakPolarHBondContact O-CB 3.47Å; H711-S719 CarbonylContact O-C 3.55Å; H711-S719 WeakPolarHBondContact O-CA 3.37Å; G713-S719 PolarHBondContact N-OG 3.15Å; T715-S719 PolarHBondContact O-N 3.07Å; T715-S719 VanDerWaalsContact O-N 3.13Å; T715-S719 PolarHBondContact O-OG 2.96Å; S716-S719 PolarHBondContact O-N 3.18Å; A717-S719 PolarHBondContact O-N 3.23Å
720	V	83.8	Confident	72.1	Confident	1 Å²	1	55 Å²	55	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160	-169.9	-60.6	0	0	0	0	112.5	F680 P683 I693 I694 C696 H711 C722	F680-V720 HydrophobicContact CE2-CG1 4.44Å; F680-V720 HydrophobicContact CZ-CG1 3.89Å; P683-V720 HydrophobicContact CG-CG2 3.58Å; I693-V720 HydrophobicContact CG2-CB 4.06Å; I693-V720 HydrophobicContact CG2-CG1 3.53Å; I694-V720 CarbonylContact O-C 3.47Å; I694-V720 VanDerWaalsContact O-CA 3.27Å; I694-V720 WeakPolarHBondContact O-CA 3.49Å; C696-V720 PolarHBondContact SG-O 3.25Å; C696-V720 VanDerWaalsContact SG-O 3.41Å; H711-V720 WeakPolarHBondContact CA-O 3.29Å; H711-V720 WeakPolarHBondContact CB-O 3.26Å; H711-V720 PolarHBondContact N-O 2.99Å; H711-V720 PolarHBondContact O-N 2.82Å; V720-C722 PolarHBondContact O-N 3.25Å
721	C	84.5	Confident	72	Confident	7 Å²	7	55.2 Å²	55.2	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.9	175.5	-62.9	0	0	0	0	110.8	I694 C704 Y708 W709	I694-C721 HydrophobicContact CB-CB 4.1Å; I694-C721 HydrophobicContact CG2-CB 4.48Å; I694-C721 PolarHBondContact O-N 2.91Å; C704-C721 WeakPolarHBondContact CA-SG 3.32Å; C704-C721 HydrophobicContact CB-CB 3.79Å; C704-C721 WeakPolarHBondContact CB-SG 3.47Å; C704-C721 VanDerWaalsContact SG-CA 3.5Å; C704-C721 WeakPolarHBondContact SG-CB 3.21Å; C704-C721 CovalentContact SG-SG 2.04Å; C704-C721 PolarHBondContact SG-SG 3.15Å; Y708-C721 HydrophobicContact CD1-CB 4.4Å; W709-C721 CarbonylContact O-C 3.36Å; W709-C721 WeakPolarHBondContact O-CA 3.29Å
722	C	80.3	Confident	72	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.2	177.8	-62.6	0	0	0	0	111.1	C684 Y708 W709 H711 V720	C684-C722 WeakPolarHBondContact CA-SG 3.27Å; C684-C722 HydrophobicContact CB-CB 3.78Å; C684-C722 WeakPolarHBondContact CB-SG 3.3Å; C684-C722 WeakPolarHBondContact SG-CA 3.39Å; C684-C722 WeakPolarHBondContact SG-CB 3.44Å; C684-C722 CovalentContact SG-SG 2.03Å; C684-C722 PolarHBondContact SG-SG 2.01Å; Y708-C722 VanDerWaalsContact CA-O 3.27Å; Y708-C722 WeakPolarHBondContact CA-O 3.03Å; W709-C722 HydrophobicContact CD2-CB 4.42Å; W709-C722 HydrophobicContact CZ2-CB 3.99Å; W709-C722 PolarHBondContact N-O 2.92Å; W709-C722 PolarHBondContact O-N 3.04Å; H711-C722 HydrophobicContact CB-CB 4.42Å; H711-C722 WeakPolarHBondContact CB-SG 3.3Å; V720-C722 PolarHBondContact O-N 3.25Å
723	S	76.6	Confident	71.9	Confident	48 Å²	48	57.2 Å²	57.2	34%	0.336	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.6	173.7	56	0	0	0	0	110.7
724	G	63.9	Low	72.1	Confident	17 Å²	17	58.3 Å²	58.3	18%	0.175	34%	0.338	C	S	.	.			trans	-154.3	132.3	-178.1	0	0	0	0	0	113.1	G707 H728	G707-G724 PolarHBondContact O-N 3.24Å; G724-H728 WeakPolarHBondContact CA-CD2 3.17Å
725	S	55.5	Low	72.5	Confident	87 Å²	87	59.9 Å²	59.9	61%	0.608	35%	0.352	S	S	*	.			trans	-57.5	157.4	171.8	179.6	0	0	0	0	110.8	L727 H728	S725-L727 PolarHBondContact O-N 2.83Å; S725-L727 PolarHBondContact OG-N 3.36Å; S725-H728 PolarHBondContact O-CD2 3.29Å; S725-H728 PolarHBondContact O-N 2.91Å
726	R	49.9	Very low	73.3	Confident	234 Å²	234	59.4 Å²	59.4	88%	0.883	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-51.7	-14.8	168.9	-139.3	-171.9	-62.6	-151.3	2.4	112.6	H728 A729	R726-H728 VanDerWaalsContact C-N 3.32Å; R726-H728 PolarHBondContact O-N 3.32Å; R726-A729 WeakPolarHBondContact O-CB 3.31Å; R726-A729 PolarHBondContact O-N 2.93Å
727	L	48.5	Very low	74	Confident	142 Å²	142	57.6 Å²	57.6	74%	0.743	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-59.7	-33.5	171.2	-145.6	78.2	0	0	0	113.7	S725 A729 Q730	S725-L727 PolarHBondContact O-N 2.83Å; S725-L727 PolarHBondContact OG-N 3.36Å; L727-A729 PolarHBondContact O-N 3.34Å; L727-Q730 PolarHBondContact O-N 2.82Å
728	H	54.9	Low	74.7	Confident	49 Å²	49	61.1 Å²	61.1	23%	0.227	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-67.8	-2.3	172.7	-62.1	-69.2	0	0	0	113.2	G724 S725 R726 Q730 P731 E734	G724-H728 WeakPolarHBondContact CA-CD2 3.17Å; S725-H728 PolarHBondContact O-CD2 3.29Å; S725-H728 PolarHBondContact O-N 2.91Å; R726-H728 VanDerWaalsContact C-N 3.32Å; R726-H728 PolarHBondContact O-N 3.32Å; H728-Q730 PolarHBondContact O-N 3.04Å; H728-P731 VanDerWaalsContact O-CD 3.32Å; H728-P731 WeakPolarHBondContact O-CD 3.27Å; H728-E734 IonicContact CE1-OE1 2.82Å; H728-E734 PolarHBondContact CE1-OE1 2.97Å; H728-E734 IonicContact CG-OE1 3.78Å; H728-E734 IonicContact ND1-OE1 2.65Å; H728-E734 PolarHBondContact ND1-OE1 3.37Å; H728-E734 IonicContact ND1-OE2 3.93Å
729	A	56.1	Low	75	Confident	77 Å²	77	61.2 Å²	61.2	64%	0.636	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-63.8	-12.8	169.3	0	0	0	0	0	112.8	R726 L727 P731	R726-A729 WeakPolarHBondContact O-CB 3.31Å; R726-A729 PolarHBondContact O-N 2.93Å; L727-A729 PolarHBondContact O-N 3.34Å; A729-P731 VanDerWaalsContact C-CD 3.46Å; A729-P731 WeakPolarHBondContact O-CD 3.06Å
730	Q	71	Confident	74.6	Confident	137 Å²	137	67.3 Å²	67.3	64%	0.64	37%	0.371	S	S	*	.			trans	-122.5	72.2	172.1	-66.1	-176.2	-11.7	0	0	111.8	L727 H728 C732 A733	L727-Q730 PolarHBondContact O-N 2.82Å; H728-Q730 PolarHBondContact O-N 3.04Å; Q730-C732 PolarHBondContact O-N 3.45Å; Q730-C732 VanDerWaalsContact O-N 3.13Å; Q730-A733 HydrophobicContact CB-CB 4.11Å; Q730-A733 PolarHBondContact O-N 3.17Å
731	P	77.7	Confident	73.4	Confident	20 Å²	20	73.8 Å²	73.8	13%	0.13	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-52.2	-38.7	178.3	-27.4	36.5	0	0	0	113	H728 A729 A733 E734 S771 N772 F774	H728-P731 VanDerWaalsContact O-CD 3.32Å; H728-P731 WeakPolarHBondContact O-CD 3.27Å; A729-P731 VanDerWaalsContact C-CD 3.46Å; A729-P731 WeakPolarHBondContact O-CD 3.06Å; P731-A733 PolarHBondContact O-N 3.22Å; P731-A733 VanDerWaalsContact O-N 3.11Å; P731-E734 PolarHBondContact O-N 3.07Å; P731-S771 WeakPolarHBondContact CB-O 3.39Å; P731-N772 WeakPolarHBondContact O-CB 3.13Å; P731-F774 HydrophobicContact CB-CE1 4.42Å; P731-F774 HydrophobicContact CB-CZ 3.97Å
732	C	83.4	Confident	72.2	Confident	26 Å²	26	77.2 Å²	77.2	18%	0.176	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-66.2	-14.7	-177.4	-40.5	0	0	0	0	113.8	Q730 F752 L754 C784	Q730-C732 PolarHBondContact O-N 3.45Å; Q730-C732 VanDerWaalsContact O-N 3.13Å; C732-F752 HydrophobicContact CB-CB 4.27Å; C732-F752 HydrophobicContact CB-CD1 3.85Å; C732-F752 HydrophobicContact CB-CE1 4.48Å; C732-F752 HydrophobicContact CB-CG 4.19Å; C732-L754 WeakPolarHBondContact O-CD2 3.47Å; C732-L754 WeakPolarHBondContact O-CG 3.06Å; C732-C784 HydrophobicContact CB-CB 3.78Å; C732-C784 WeakPolarHBondContact CB-SG 3.08Å; C732-C784 WeakPolarHBondContact SG-CA 3.25Å; C732-C784 WeakPolarHBondContact SG-CB 3.37Å; C732-C784 CovalentContact SG-SG 2.02Å; C732-C784 PolarHBondContact SG-SG 3.35Å
733	A	80.1	Confident	71.2	Confident	49 Å²	49	81.1 Å²	81.1	41%	0.405	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-94.6	-10.5	-179.4	0	0	0	0	0	113.3	Q730 P731	Q730-A733 HydrophobicContact CB-CB 4.11Å; Q730-A733 PolarHBondContact O-N 3.17Å; P731-A733 PolarHBondContact O-N 3.22Å; P731-A733 VanDerWaalsContact O-N 3.11Å
734	E	85.9	Confident	70.3	Confident	29 Å²	29	86.1 Å²	86.1	14%	0.136	48%	0.478	C	S	.	.	S	Bend	trans	-79.9	149.1	-178.5	-59.5	-178.8	127.9	0	0	111	H728 P731 N770 S771 N772	H728-E734 IonicContact CE1-OE1 2.82Å; H728-E734 PolarHBondContact CE1-OE1 2.97Å; H728-E734 IonicContact CG-OE1 3.78Å; H728-E734 IonicContact ND1-OE1 2.65Å; H728-E734 PolarHBondContact ND1-OE1 3.37Å; H728-E734 IonicContact ND1-OE2 3.93Å; P731-E734 PolarHBondContact O-N 3.07Å; E734-N770 HydrophobicContact CB-CB 4.46Å; E734-S771 VanDerWaalsContact OE2-CA 3.28Å; E734-S771 WeakPolarHBondContact OE2-CA 3.43Å; E734-S771 WeakPolarHBondContact OE2-CB 3.42Å; E734-S771 PolarHBondContact OE2-N 3.32Å; E734-N772 HydrophobicContact CB-CB 4.12Å; E734-N772 PolarHBondContact O-ND2 3.27Å; E734-N772 PolarHBondContact OE2-N 2.95Å
735	P	87.3	Confident	70.4	Confident	98 Å²	98	87.9 Å²	87.9	64%	0.636	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-65.6	161.2	177.8	28	-35	0	0	0	111.8	N737 N770	P735-N737 PolarHBondContact O-N 3.26Å; P735-N770 PolarHBondContact O-ND2 3.33Å; P735-N770 PolarHBondContact O-OD1 3.49Å
736	L	90.5	Very high	71.7	Confident	67 Å²	67	87.8 Å²	87.8	35%	0.351	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-57.9	129	166.5	170.6	63.2	0	0	0	109.4	E738 Y751 F762	L736-E738 HydrophobicContact CD1-CG 4.48Å; L736-E738 HydrophobicContact CG-CG 4.45Å; L736-Y751 HydrophobicContact CB-CD2 4.01Å; L736-Y751 HydrophobicContact CB-CE2 3.97Å; L736-Y751 HydrophobicContact CB-CG 4.44Å; L736-Y751 HydrophobicContact CD1-CD1 3.77Å; L736-Y751 HydrophobicContact CD1-CD2 4.29Å; L736-Y751 HydrophobicContact CD1-CE1 4.12Å; L736-Y751 HydrophobicContact CD1-CG 3.86Å; L736-Y751 HydrophobicContact CD2-CE1 4.16Å; L736-F762 HydrophobicContact CD1-CB 3.82Å; L736-F762 HydrophobicContact CD1-CD1 3.95Å; L736-F762 HydrophobicContact CD1-CD2 3.52Å; L736-F762 HydrophobicContact CD1-CE1 4.34Å; L736-F762 HydrophobicContact CD1-CE2 3.95Å; L736-F762 HydrophobicContact CD1-CG 3.5Å; L736-F762 VanDerWaalsContact CD1-CG 3.5Å; L736-F762 HydrophobicContact CD1-CZ 4.33Å
737	N	89.3	Confident	73.3	Confident	62 Å²	62	77.7 Å²	77.7	33%	0.332	45%	0.453	S	S	.	.			trans	-135.3	111.5	173.7	-173.1	-17.9	0	0	0	109.5	P735 G739 G769 N770	P735-N737 PolarHBondContact O-N 3.26Å; N737-G739 PolarHBondContact O-N 3.28Å; N737-G739 PolarHBondContact OD1-N 3.36Å; N737-G769 VanDerWaalsContact CG-CA 3.44Å; N737-N770 WeakPolarHBondContact CB-ND2 3.44Å
738	E	87.6	Confident	75.3	Confident	106 Å²	106	75 Å²	75	50%	0.495	44%	0.444	S	S	.	.			trans	-75.6	-10	-175.7	-61.3	-176.8	165.5	0	0	113.1	L736 F762 Y764 S765	L736-E738 HydrophobicContact CD1-CG 4.48Å; L736-E738 HydrophobicContact CG-CG 4.45Å; E738-F762 HydrophobicContact CG-CD2 4.21Å; E738-Y764 WeakPolarHBondContact O-CA 3.01Å; E738-Y764 VanDerWaalsContact O-CD2 3.28Å; E738-Y764 WeakPolarHBondContact O-CD2 3.44Å; E738-S765 PolarHBondContact O-N 2.84Å; E738-S765 PolarHBondContact O-OG 2.92Å
739	G	83.4	Confident	77.2	Confident	18 Å²	18	73 Å²	73	19%	0.186	44%	0.435	C	S	.	.			trans	90	-174.1	-175.3	0	0	0	0	0	112.8	N737 S765 A767	N737-G739 PolarHBondContact O-N 3.28Å; N737-G739 PolarHBondContact OD1-N 3.36Å; G739-S765 WeakPolarHBondContact CA-OG 3.21Å; G739-A767 WeakPolarHBondContact CA-O 3.21Å
740	E	75.8	Confident	78.9	Confident	138 Å²	138	72.2 Å²	72.2	65%	0.645	42%	0.415	S	S	*	.			trans	-93.4	130.2	179.4	-169	164.9	-166.1	0	0	110.5	A742 S765 A767	E740-A742 HydrophobicContact CG-CB 4.44Å; E740-A742 PolarHBondContact O-N 2.93Å; E740-A742 VanDerWaalsContact O-N 3.09Å; E740-S765 PolarHBondContact N-OG 3.11Å; E740-S765 VanDerWaalsContact N-OG 3.14Å; E740-S765 WeakPolarHBondContact O-CB 3.48Å; E740-S765 PolarHBondContact O-OG 3.13Å; E740-A767 PolarHBondContact N-O 3.37Å
741	N	60.2	Low	79.9	Confident	138 Å²	138	67.3 Å²	67.3	74%	0.738	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	6.8	-171.6	-66.2	-15	0	0	0	114.6	W743	N741-W743 PolarHBondContact O-N 2.83Å; N741-W743 VanDerWaalsContact O-N 3.16Å
742	A	57.9	Low	80.5	Confident	78 Å²	78	67 Å²	67	65%	0.645	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.4	179.3	0	0	0	0	0	112.7	E740	E740-A742 HydrophobicContact CG-CB 4.44Å; E740-A742 PolarHBondContact O-N 2.93Å; E740-A742 VanDerWaalsContact O-N 3.09Å
743	W	60.3	Low	80.7	Confident	84 Å²	84	66.8 Å²	66.8	32%	0.318	39%	0.385	S	S	.	.	S	Bend	trans	-99.1	123.8	-178.2	-55.6	86.1	0	0	0	110.5	E681 N741 A745 S765 A767	E681-W743 HydrophobicContact CB-CH2 3.65Å; E681-W743 HydrophobicContact CB-CZ2 3.66Å; E681-W743 HydrophobicContact CG-CH2 4.03Å; E681-W743 HydrophobicContact CG-CZ2 4.29Å; E681-W743 WeakPolarHBondContact OE2-CH2 3.08Å; E681-W743 WeakPolarHBondContact OE2-CZ2 3.35Å; N741-W743 PolarHBondContact O-N 2.83Å; N741-W743 VanDerWaalsContact O-N 3.16Å; W743-A745 PolarHBondContact O-N 3.26Å; W743-S765 WeakPolarHBondContact CB-O 3.39Å; W743-A767 VanDerWaalsContact CD1-CB 3.47Å; W743-A767 HydrophobicContact CG-CB 4.3Å
744	T	57.6	Low	80.5	Confident	153 Å²	153	68.8 Å²	68.8	94%	0.939	39%	0.389	S	S	*	.	S	Bend	trans	-69.8	-16.6	-175.1	52.2	0	0	0	0	114
745	A	66	Low	79.9	Confident	53 Å²	53	75.1 Å²	75.1	44%	0.438	42%	0.422	S	S	.	.			trans	-97.8	133.8	-179.8	0	0	0	0	0	110.9	L714 W743 S765	L714-A745 HydrophobicContact CD1-CB 3.56Å; L714-A745 VanDerWaalsContact CD1-O 3.3Å; L714-A745 WeakPolarHBondContact CD1-O 3.44Å; W743-A745 PolarHBondContact O-N 3.26Å; A745-S765 CarbonylContact O-C 3.39Å
746	T	82.1	Confident	79.6	Confident	85 Å²	85	76 Å²	76	52%	0.521	42%	0.418	S	S	.	.			trans	-119.3	153.6	170.3	57.6	0	0	0	0	110.2	Y764	T746-Y764 CarbonylContact C-O 3.43Å; T746-Y764 WeakPolarHBondContact CA-O 3.01Å
747	A	84.8	Confident	78.6	Confident	22 Å²	22	75.7 Å²	75.7	18%	0.182	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.5	173.6	0	0	0	0	0	112.3	L714 R749 Y764	L714-A747 HydrophobicContact CD2-CB 3.29Å; A747-R749 PolarHBondContact O-N 3.35Å; A747-Y764 PolarHBondContact N-O 3.04Å; A747-Y764 PolarHBondContact O-N 3.29Å
748	P	90.5	Very high	78.2	Confident	85 Å²	85	75 Å²	75	55%	0.552	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.9	173.9	27.5	-33.5	0	0	0	110.1	F762	P748-F762 WeakPolarHBondContact CA-O 3.45Å
749	R	92.8	Very high	78.3	Confident	7 Å²	7	70.2 Å²	70.2	3%	0.026	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	171.6	176.7	-65.4	-63.6	177.8	82.9	-1.4	109.5	V712 G713 A747 P761 F762 Y764 N773 F774	V712-R749 VanDerWaalsContact O-CZ 3.3Å; V712-R749 PolarHBondContact O-NH1 3.21Å; V712-R749 PolarHBondContact O-NH2 2.61Å; G713-R749 PolarHBondContact O-NH2 2.95Å; A747-R749 PolarHBondContact O-N 3.35Å; R749-P761 CarbonylContact O-C 3.47Å; R749-P761 VanDerWaalsContact O-CA 3.24Å; R749-P761 WeakPolarHBondContact O-CA 3.26Å; R749-F762 HydrophobicContact CB-CD1 3.83Å; R749-F762 HydrophobicContact CB-CE1 3.34Å; R749-F762 HydrophobicContact CB-CE2 4.32Å; R749-F762 HydrophobicContact CB-CZ 3.64Å; R749-F762 HydrophobicContact CG-CZ 4.4Å; R749-F762 PolarHBondContact N-O 3.21Å; R749-F762 PolarHBondContact O-N 3.28Å; R749-Y764 VanDerWaalsContact CG-CB 3.46Å; R749-Y764 HydrophobicContact CG-CD1 4.3Å; R749-Y764 HydrophobicContact CG-CG 4.18Å; R749-Y764 VanDerWaalsContact NH1-CD1 3.27Å; R749-N773 WeakPolarHBondContact CB-OD1 3.32Å; R749-N773 VanDerWaalsContact CD-OD1 3.27Å; R749-N773 WeakPolarHBondContact CD-OD1 3.39Å; R749-N773 WeakPolarHBondContact CG-OD1 3.5Å; R749-N773 PolarHBondContact NH1-ND2 3.41Å; R749-N773 PolarHBondContact NH1-OD1 3.23Å; R749-F774 CarbonylContact C-O 3.48Å; R749-F774 WeakPolarHBondContact CA-O 3.27Å
750	W	92.9	Very high	78.6	Confident	62 Å²	62	71.5 Å²	71.5	24%	0.235	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	178.1	-65.7	79.1	0	0	0	109.5	C759 K760 P761 F774 T776 K777 C780	W750-C759 HydrophobicContact CE3-CB 4.23Å; W750-C759 WeakPolarHBondContact CZ3-O 3.38Å; W750-K760 CarbonylContact C-O 3.55Å; W750-K760 VanDerWaalsContact CA-O 3.31Å; W750-K760 WeakPolarHBondContact CA-O 3.42Å; W750-P761 HydrophobicContact CD2-CB 4.39Å; W750-P761 HydrophobicContact CE3-CB 4.32Å; W750-P761 HydrophobicContact CH2-CB 4.2Å; W750-P761 HydrophobicContact CH2-CG 4.33Å; W750-P761 HydrophobicContact CZ2-CB 4.26Å; W750-P761 HydrophobicContact CZ3-CB 4.24Å; W750-P761 HydrophobicContact CZ3-CG 4.3Å; W750-F774 HydrophobicContact CB-CB 4.29Å; W750-F774 PolarHBondContact N-O 2.89Å; W750-F774 WeakPolarHBondContact O-CB 3.33Å; W750-F774 VanDerWaalsContact O-CD2 3.24Å; W750-F774 WeakPolarHBondContact O-CD2 3.41Å; W750-F774 PolarHBondContact O-N 3.49Å; W750-T776 VanDerWaalsContact CD1-C 3.47Å; W750-K777 VanDerWaalsContact CD1-N 3.3Å; W750-K777 HydrophobicContact CD2-CB 3.64Å; W750-K777 HydrophobicContact CD2-CG 4.02Å; W750-K777 HydrophobicContact CE3-CB 3.83Å; W750-K777 HydrophobicContact CE3-CD 4.14Å; W750-K777 HydrophobicContact CE3-CG 3.65Å; W750-K777 HydrophobicContact CG-CB 4.23Å; W750-K777 HydrophobicContact CH2-CB 4.04Å; W750-K777 HydrophobicContact CH2-CD 3.67Å; W750-K777 HydrophobicContact CH2-CG 4.01Å; W750-K777 HydrophobicContact CZ2-CB 3.85Å; W750-K777 HydrophobicContact CZ2-CD 4.29Å; W750-K777 HydrophobicContact CZ2-CG 4.34Å; W750-K777 HydrophobicContact CZ3-CB 4.02Å; W750-K777 HydrophobicContact CZ3-CD 3.58Å; W750-K777 HydrophobicContact CZ3-CG 3.64Å; W750-C780 HydrophobicContact CB-CB 4.08Å
751	Y	92.3	Very high	79.5	Confident	33 Å²	33	69.1 Å²	69.1	13%	0.129	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.3	172.1	80.5	-77.3	0	0	0	109.6	L736 D753 C759 K760 F762 N772	L736-Y751 HydrophobicContact CB-CD2 4.01Å; L736-Y751 HydrophobicContact CB-CE2 3.97Å; L736-Y751 HydrophobicContact CB-CG 4.44Å; L736-Y751 HydrophobicContact CD1-CD1 3.77Å; L736-Y751 HydrophobicContact CD1-CD2 4.29Å; L736-Y751 HydrophobicContact CD1-CE1 4.12Å; L736-Y751 HydrophobicContact CD1-CG 3.86Å; L736-Y751 HydrophobicContact CD2-CE1 4.16Å; Y751-D753 HydrophobicContact CE2-CB 3.9Å; Y751-D753 PolarHBondContact OH-OD2 2.93Å; Y751-C759 CarbonylContact O-C 3.5Å; Y751-C759 WeakPolarHBondContact O-CA 3.22Å; Y751-K760 HydrophobicContact CD1-CB 4.09Å; Y751-K760 WeakPolarHBondContact CD1-O 3.29Å; Y751-K760 HydrophobicContact CE1-CB 3.54Å; Y751-K760 HydrophobicContact CE1-CD 4.43Å; Y751-K760 PolarHBondContact N-O 2.87Å; Y751-K760 PolarHBondContact O-N 2.74Å; Y751-F762 HydrophobicContact CD1-CB 4.14Å; Y751-F762 AromaticContact CD1-CD1 3.8Å; Y751-F762 HydrophobicContact CD1-CD1 3.8Å; Y751-F762 HydrophobicContact CD1-CG 4.26Å; Y751-F762 HydrophobicContact CE1-CB 4.44Å; Y751-F762 HydrophobicContact CG-CD1 4.31Å; Y751-N772 WeakPolarHBondContact CB-O 3.43Å
752	F	89	Confident	81	Confident	13 Å²	13	63.1 Å²	63.1	6%	0.057	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.8	173.5	-171.3	-101.4	0	0	0	109.6	C732 L754 R757 N772 C784	C732-F752 HydrophobicContact CB-CB 4.27Å; C732-F752 HydrophobicContact CB-CD1 3.85Å; C732-F752 HydrophobicContact CB-CE1 4.48Å; C732-F752 HydrophobicContact CB-CG 4.19Å; F752-L754 HydrophobicContact CD1-CD2 4.46Å; F752-L754 HydrophobicContact CE1-CD2 4.26Å; F752-L754 PolarHBondContact O-N 2.78Å; F752-R757 HydrophobicContact CZ-CB 3.98Å; F752-R757 HydrophobicContact CZ-CG 4.34Å; F752-N772 PolarHBondContact N-OD1 2.03Å; F752-N772 PolarHBondContact O-ND2 2.84Å; F752-C784 HydrophobicContact CB-CB 3.83Å; F752-C784 HydrophobicContact CD1-CB 4.27Å; F752-C784 HydrophobicContact CD2-CB 3.34Å; F752-C784 HydrophobicContact CE2-CB 3.88Å; F752-C784 WeakPolarHBondContact CE2-O 3.2Å; F752-C784 HydrophobicContact CG-CB 3.55Å
753	D	87.7	Confident	82.5	Confident	22 Å²	22	66 Å²	66	12%	0.118	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.8	173.8	-172.9	-56.3	0	0	0	108.8	Y751 L755 E756 R757 T758 K760	Y751-D753 HydrophobicContact CE2-CB 3.9Å; Y751-D753 PolarHBondContact OH-OD2 2.93Å; D753-L755 PolarHBondContact O-N 3.02Å; D753-L755 WeakPolarHBondContact OD1-CA 3.49Å; D753-L755 WeakPolarHBondContact OD1-CB 3.33Å; D753-L755 PolarHBondContact OD1-N 3.29Å; D753-E756 HydrophobicContact CB-CB 4.39Å; D753-E756 PolarHBondContact OD1-N 2.83Å; D753-R757 WeakPolarHBondContact O-CA 3.47Å; D753-R757 PolarHBondContact O-N 3.42Å; D753-T758 PolarHBondContact N-O 2.82Å; D753-K760 HydrophobicContact CB-CD 3.94Å; D753-K760 HydrophobicContact CB-CG 4.34Å; D753-K760 WeakPolarHBondContact OD2-CE 3.32Å; D753-K760 IonicContact OD2-NZ 3.57Å; D753-K760 PolarHBondContact OD2-NZ 2.83Å
754	L	76.6	Confident	83.9	Confident	92 Å²	92	62 Å²	62	48%	0.482	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.6	-179.4	-87.4	169.2	0	0	0	113.8	C732 F752 R757	C732-L754 WeakPolarHBondContact O-CD2 3.47Å; C732-L754 WeakPolarHBondContact O-CG 3.06Å; F752-L754 HydrophobicContact CD1-CD2 4.46Å; F752-L754 HydrophobicContact CE1-CD2 4.26Å; F752-L754 PolarHBondContact O-N 2.78Å; L754-R757 WeakPolarHBondContact O-CG 3.22Å
755	L	74.3	Confident	85.2	Confident	162 Å²	162	54.9 Å²	54.9	85%	0.848	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-47.8	-175.1	-172.4	70	0	0	0	110.4	D753	D753-L755 PolarHBondContact O-N 3.02Å; D753-L755 WeakPolarHBondContact OD1-CA 3.49Å; D753-L755 WeakPolarHBondContact OD1-CB 3.33Å; D753-L755 PolarHBondContact OD1-N 3.29Å
756	E	79.2	Confident	85.8	Confident	117 Å²	117	52.5 Å²	52.5	55%	0.547	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.3	176.8	-71.5	-175	-150.4	0	0	113.4	D753 T758 K760	D753-E756 HydrophobicContact CB-CB 4.39Å; D753-E756 PolarHBondContact OD1-N 2.83Å; E756-T758 PolarHBondContact O-N 3.49Å; E756-K760 IonicContact OE1-NZ 3.03Å; E756-K760 PolarHBondContact OE1-NZ 3.49Å; E756-K760 WeakPolarHBondContact OE2-CE 3.4Å; E756-K760 IonicContact OE2-NZ 3.82Å; E756-K760 PolarHBondContact OE2-NZ 3.17Å
757	R	71.3	Confident	85.9	Confident	59 Å²	59	48.7 Å²	48.7	22%	0.223	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	38.1	-175.8	-63.6	-154.6	176.5	-157.8	-1.8	114	F752 D753 L754	F752-R757 HydrophobicContact CZ-CB 3.98Å; F752-R757 HydrophobicContact CZ-CG 4.34Å; D753-R757 WeakPolarHBondContact O-CA 3.47Å; D753-R757 PolarHBondContact O-N 3.42Å; L754-R757 WeakPolarHBondContact O-CG 3.22Å
758	T	81	Confident	85.8	Confident	47 Å²	47	48.1 Å²	48.1	29%	0.288	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.8	177.6	56.2	0	0	0	0	110.5	D753 E756 K760	D753-T758 PolarHBondContact N-O 2.82Å; E756-T758 PolarHBondContact O-N 3.49Å; T758-K760 PolarHBondContact O-N 3.49Å
759	C	88.5	Confident	85.4	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.1	172	-69.4	0	0	0	0	109.7	W750 Y751 K777 C780 R781	W750-C759 HydrophobicContact CE3-CB 4.23Å; W750-C759 WeakPolarHBondContact CZ3-O 3.38Å; Y751-C759 CarbonylContact O-C 3.5Å; Y751-C759 WeakPolarHBondContact O-CA 3.22Å; C759-K777 HydrophobicContact CB-CG 4.23Å; C759-C780 HydrophobicContact CB-CB 3.77Å; C759-C780 WeakPolarHBondContact CB-SG 3.44Å; C759-C780 WeakPolarHBondContact SG-CB 3.5Å; C759-C780 CovalentContact SG-SG 2.03Å; C759-C780 PolarHBondContact SG-SG 2.89Å; C759-R781 HydrophobicContact CB-CG 4.39Å; C759-R781 PolarHBondContact SG-N 3.16Å; C759-R781 VanDerWaalsContact SG-N 3.44Å
760	K	89.7	Confident	85	Confident	46 Å²	46	44.6 Å²	44.6	20%	0.2	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.5	179	-71.6	-177.1	179.4	172.8	0	111.4	W750 Y751 D753 E756 T758	W750-K760 CarbonylContact C-O 3.55Å; W750-K760 VanDerWaalsContact CA-O 3.31Å; W750-K760 WeakPolarHBondContact CA-O 3.42Å; Y751-K760 HydrophobicContact CD1-CB 4.09Å; Y751-K760 WeakPolarHBondContact CD1-O 3.29Å; Y751-K760 HydrophobicContact CE1-CB 3.54Å; Y751-K760 HydrophobicContact CE1-CD 4.43Å; Y751-K760 PolarHBondContact N-O 2.87Å; Y751-K760 PolarHBondContact O-N 2.74Å; D753-K760 HydrophobicContact CB-CD 3.94Å; D753-K760 HydrophobicContact CB-CG 4.34Å; D753-K760 WeakPolarHBondContact OD2-CE 3.32Å; D753-K760 IonicContact OD2-NZ 3.57Å; D753-K760 PolarHBondContact OD2-NZ 2.83Å; E756-K760 IonicContact OE1-NZ 3.03Å; E756-K760 PolarHBondContact OE1-NZ 3.49Å; E756-K760 WeakPolarHBondContact OE2-CE 3.4Å; E756-K760 IonicContact OE2-NZ 3.82Å; E756-K760 PolarHBondContact OE2-NZ 3.17Å; T758-K760 PolarHBondContact O-N 3.49Å
761	P	94.2	Very high	84.5	Confident	87 Å²	87	42.4 Å²	42.4	57%	0.565	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	149.5	175.1	32.7	-33.6	0	0	0	111.5	R749 W750	R749-P761 CarbonylContact O-C 3.47Å; R749-P761 VanDerWaalsContact O-CA 3.24Å; R749-P761 WeakPolarHBondContact O-CA 3.26Å; W750-P761 HydrophobicContact CD2-CB 4.39Å; W750-P761 HydrophobicContact CE3-CB 4.32Å; W750-P761 HydrophobicContact CH2-CB 4.2Å; W750-P761 HydrophobicContact CH2-CG 4.33Å; W750-P761 HydrophobicContact CZ2-CB 4.26Å; W750-P761 HydrophobicContact CZ3-CB 4.24Å; W750-P761 HydrophobicContact CZ3-CG 4.3Å
762	F	93.2	Very high	84.3	Confident	13 Å²	13	40.9 Å²	40.9	6%	0.057	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	169.8	168.9	77.6	-76.3	0	0	0	110.6	L736 E738 P748 R749 Y751 Y764 N773	L736-F762 HydrophobicContact CD1-CB 3.82Å; L736-F762 HydrophobicContact CD1-CD1 3.95Å; L736-F762 HydrophobicContact CD1-CD2 3.52Å; L736-F762 HydrophobicContact CD1-CE1 4.34Å; L736-F762 HydrophobicContact CD1-CE2 3.95Å; L736-F762 HydrophobicContact CD1-CG 3.5Å; L736-F762 VanDerWaalsContact CD1-CG 3.5Å; L736-F762 HydrophobicContact CD1-CZ 4.33Å; E738-F762 HydrophobicContact CG-CD2 4.21Å; P748-F762 WeakPolarHBondContact CA-O 3.45Å; R749-F762 HydrophobicContact CB-CD1 3.83Å; R749-F762 HydrophobicContact CB-CE1 3.34Å; R749-F762 HydrophobicContact CB-CE2 4.32Å; R749-F762 HydrophobicContact CB-CZ 3.64Å; R749-F762 HydrophobicContact CG-CZ 4.4Å; R749-F762 PolarHBondContact N-O 3.21Å; R749-F762 PolarHBondContact O-N 3.28Å; Y751-F762 HydrophobicContact CD1-CB 4.14Å; Y751-F762 AromaticContact CD1-CD1 3.8Å; Y751-F762 HydrophobicContact CD1-CD1 3.8Å; Y751-F762 HydrophobicContact CD1-CG 4.26Å; Y751-F762 HydrophobicContact CE1-CB 4.44Å; Y751-F762 HydrophobicContact CG-CD1 4.31Å; F762-Y764 HydrophobicContact CE2-CD2 4.18Å; F762-Y764 HydrophobicContact CE2-CG 4.39Å; F762-N773 HydrophobicContact CZ-CB 4.02Å
763	F	89	Confident	84.3	Confident	137 Å²	137	41.5 Å²	41.5	60%	0.601	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.8	174	-70.7	-81.8	0	0	0	110
764	Y	89.5	Confident	84.3	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.5	-178.7	176.9	-118.5	0	0	0	110.6	H711 E738 T746 A747 R749 F762 G766 A767 G768 N773	H711-Y764 PolarHBondContact CE1-OH 3.4Å; H711-Y764 PolarHBondContact NE2-OH 2.99Å; E738-Y764 WeakPolarHBondContact O-CA 3.01Å; E738-Y764 VanDerWaalsContact O-CD2 3.28Å; E738-Y764 WeakPolarHBondContact O-CD2 3.44Å; T746-Y764 CarbonylContact C-O 3.43Å; T746-Y764 WeakPolarHBondContact CA-O 3.01Å; A747-Y764 PolarHBondContact N-O 3.04Å; A747-Y764 PolarHBondContact O-N 3.29Å; R749-Y764 VanDerWaalsContact CG-CB 3.46Å; R749-Y764 HydrophobicContact CG-CD1 4.3Å; R749-Y764 HydrophobicContact CG-CG 4.18Å; R749-Y764 VanDerWaalsContact NH1-CD1 3.27Å; F762-Y764 HydrophobicContact CE2-CD2 4.18Å; F762-Y764 HydrophobicContact CE2-CG 4.39Å; Y764-G766 VanDerWaalsContact CD1-N 3.35Å; Y764-G766 PolarHBondContact O-N 2.73Å; Y764-A767 VanDerWaalsContact OH-C 3.25Å; Y764-A767 WeakPolarHBondContact OH-CA 3.44Å; Y764-A767 PolarHBondContact OH-N 3.43Å; Y764-G768 PolarHBondContact OH-O 2.85Å; Y764-N773 WeakPolarHBondContact CD1-ND2 3.3Å; Y764-N773 VanDerWaalsContact CD2-ND2 3.33Å; Y764-N773 WeakPolarHBondContact CD2-ND2 3Å; Y764-N773 WeakPolarHBondContact CE2-ND2 3.4Å
765	S	83.9	Confident	84.7	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.021	21%	0.212	C	C	.	.			trans	-70.7	-11.6	-177.2	70.1	0	0	0	0	114.9	E738 G739 E740 W743 A745 A767	E738-S765 PolarHBondContact O-N 2.84Å; E738-S765 PolarHBondContact O-OG 2.92Å; G739-S765 WeakPolarHBondContact CA-OG 3.21Å; E740-S765 PolarHBondContact N-OG 3.11Å; E740-S765 VanDerWaalsContact N-OG 3.14Å; E740-S765 WeakPolarHBondContact O-CB 3.48Å; E740-S765 PolarHBondContact O-OG 3.13Å; W743-S765 WeakPolarHBondContact CB-O 3.39Å; A745-S765 CarbonylContact O-C 3.39Å; S765-A767 PolarHBondContact OG-O 3.1Å
766	G	80.5	Confident	85.4	Confident	4 Å²	4	36 Å²	36	4%	0.041	19%	0.19	C	C	.	.	S	Bend	trans	96.5	-10.3	178	0	0	0	0	0	115.7	H711 G713 Y764	H711-G766 PolarHBondContact CE1-O 2.78Å; G713-G766 WeakPolarHBondContact CA-O 3.4Å; Y764-G766 VanDerWaalsContact CD1-N 3.35Å; Y764-G766 PolarHBondContact O-N 2.73Å
767	A	83.8	Confident	85.7	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.033	18%	0.179	C	C	.	.	S	Bend	trans	-140.3	153.6	173.8	0	0	0	0	0	111.3	P683 G739 E740 W743 Y764 S765	P683-A767 HydrophobicContact CB-CB 3.91Å; G739-A767 WeakPolarHBondContact CA-O 3.21Å; E740-A767 PolarHBondContact N-O 3.37Å; W743-A767 VanDerWaalsContact CD1-CB 3.47Å; W743-A767 HydrophobicContact CG-CB 4.3Å; Y764-A767 VanDerWaalsContact OH-C 3.25Å; Y764-A767 WeakPolarHBondContact OH-CA 3.44Å; Y764-A767 PolarHBondContact OH-N 3.43Å; S765-A767 PolarHBondContact OG-O 3.1Å
768	G	82.9	Confident	86.1	Confident	10 Å²	10	35.3 Å²	35.3	10%	0.103	20%	0.198	C	C	.	.	S	Bend	trans	74.4	-140.7	-176.3	0	0	0	0	0	111.7	P683 H711 Y764	P683-G768 WeakPolarHBondContact O-CA 3.49Å; P683-G768 PolarHBondContact O-N 3.26Å; H711-G768 PolarHBondContact NE2-O 2.72Å; Y764-G768 PolarHBondContact OH-O 2.85Å
769	G	82.3	Confident	86.2	Confident	5 Å²	5	35.1 Å²	35.1	5%	0.052	19%	0.194	C	C	.	.			trans	82.7	-162.5	179.9	0	0	0	0	0	113.7	P685 N737	P685-G769 WeakPolarHBondContact CG-O 3.45Å; N737-G769 VanDerWaalsContact CG-CA 3.44Å
770	N	83.1	Confident	86.1	Confident	14 Å²	14	34.8 Å²	34.8	8%	0.075	19%	0.192	C	C	.	.			trans	-142.6	-174.2	173.8	61.6	31.4	0	0	0	110.4	E734 P735 N737 N772 N773	E734-N770 HydrophobicContact CB-CB 4.46Å; P735-N770 PolarHBondContact O-ND2 3.33Å; P735-N770 PolarHBondContact O-OD1 3.49Å; N737-N770 WeakPolarHBondContact CB-ND2 3.44Å; N770-N772 VanDerWaalsContact C-N 3.26Å; N770-N772 PolarHBondContact O-N 3.49Å; N770-N772 WeakPolarHBondContact OD1-CB 3.4Å; N770-N772 PolarHBondContact OD1-N 3.44Å; N770-N773 WeakPolarHBondContact O-CB 3.35Å
771	S	82.1	Confident	85.6	Confident	15 Å²	15	36.7 Å²	36.7	11%	0.105	20%	0.198	C	C	.	.	S	Bend	trans	-75.1	-11.8	-175.7	-62.6	0	0	0	0	113.3	P731 E734 N773	P731-S771 WeakPolarHBondContact CB-O 3.39Å; E734-S771 VanDerWaalsContact OE2-CA 3.28Å; E734-S771 WeakPolarHBondContact OE2-CA 3.43Å; E734-S771 WeakPolarHBondContact OE2-CB 3.42Å; E734-S771 PolarHBondContact OE2-N 3.32Å; S771-N773 PolarHBondContact O-N 3.49Å
772	N	87.9	Confident	84.6	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.011	21%	0.209	C	C	.	.			trans	-74.6	46.1	171.4	-155.7	3.8	0	0	0	112.2	P731 E734 Y751 F752 N770 F774	P731-N772 WeakPolarHBondContact O-CB 3.13Å; E734-N772 HydrophobicContact CB-CB 4.12Å; E734-N772 PolarHBondContact O-ND2 3.27Å; E734-N772 PolarHBondContact OE2-N 2.95Å; Y751-N772 WeakPolarHBondContact CB-O 3.43Å; F752-N772 PolarHBondContact N-OD1 2.03Å; F752-N772 PolarHBondContact O-ND2 2.84Å; N770-N772 VanDerWaalsContact C-N 3.26Å; N770-N772 PolarHBondContact O-N 3.49Å; N770-N772 WeakPolarHBondContact OD1-CB 3.4Å; N770-N772 PolarHBondContact OD1-N 3.44Å; N772-F774 WeakPolarHBondContact OD1-CE2 3.48Å
773	N	89.1	Confident	83.7	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.139	23%	0.227	C	C	.	.			trans	-139.2	104.7	-174.1	179	-8.9	0	0	0	108.1	R749 F762 Y764 N770 S771	R749-N773 WeakPolarHBondContact CB-OD1 3.32Å; R749-N773 VanDerWaalsContact CD-OD1 3.27Å; R749-N773 WeakPolarHBondContact CD-OD1 3.39Å; R749-N773 WeakPolarHBondContact CG-OD1 3.5Å; R749-N773 PolarHBondContact NH1-ND2 3.41Å; R749-N773 PolarHBondContact NH1-OD1 3.23Å; F762-N773 HydrophobicContact CZ-CB 4.02Å; Y764-N773 WeakPolarHBondContact CD1-ND2 3.3Å; Y764-N773 VanDerWaalsContact CD2-ND2 3.33Å; Y764-N773 WeakPolarHBondContact CD2-ND2 3Å; Y764-N773 WeakPolarHBondContact CE2-ND2 3.4Å; N770-N773 WeakPolarHBondContact O-CB 3.35Å; S771-N773 PolarHBondContact O-N 3.49Å
774	F	88.1	Confident	83.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-116.2	140.9	-175.5	-52.9	-74.7	0	0	0	110.3	P731 R749 W750 N772 T776 E779 C780 K783 C784	P731-F774 HydrophobicContact CB-CE1 4.42Å; P731-F774 HydrophobicContact CB-CZ 3.97Å; R749-F774 CarbonylContact C-O 3.48Å; R749-F774 WeakPolarHBondContact CA-O 3.27Å; W750-F774 HydrophobicContact CB-CB 4.29Å; W750-F774 PolarHBondContact N-O 2.89Å; W750-F774 WeakPolarHBondContact O-CB 3.33Å; W750-F774 VanDerWaalsContact O-CD2 3.24Å; W750-F774 WeakPolarHBondContact O-CD2 3.41Å; W750-F774 PolarHBondContact O-N 3.49Å; N772-F774 WeakPolarHBondContact OD1-CE2 3.48Å; F774-T776 VanDerWaalsContact C-N 3.33Å; F774-T776 PolarHBondContact O-N 3.48Å; F774-E779 HydrophobicContact CB-CB 4.48Å; F774-E779 HydrophobicContact CB-CG 4.34Å; F774-E779 HydrophobicContact CD1-CG 4.16Å; F774-C780 HydrophobicContact CB-CB 3.81Å; F774-C780 HydrophobicContact CD2-CB 3.42Å; F774-C780 VanDerWaalsContact CD2-CB 3.42Å; F774-C780 VanDerWaalsContact CD2-SG 3.57Å; F774-C780 HydrophobicContact CE2-CB 4.15Å; F774-C780 HydrophobicContact CG-CB 3.7Å; F774-K783 HydrophobicContact CD1-CD 4.25Å; F774-K783 HydrophobicContact CE1-CB 4.03Å; F774-K783 HydrophobicContact CE1-CD 3.64Å; F774-K783 HydrophobicContact CE1-CG 4.45Å; F774-K783 HydrophobicContact CZ-CB 4.42Å; F774-C784 VanDerWaalsContact CZ-SG 3.53Å
775	L	85.6	Confident	81.8	Confident	95 Å²	95	41.6 Å²	41.6	50%	0.497	23%	0.226	S	C	.	.	S	Bend	trans	-70.9	-33.8	-177.4	-174.2	62	0	0	0	111.4	E779	L775-E779 WeakPolarHBondContact CB-OE2 3.27Å; L775-E779 PolarHBondContact N-OE2 3.23Å
776	T	87.8	Confident	80.6	Confident	62 Å²	62	44.8 Å²	44.8	38%	0.38	24%	0.24	S	C	.	.	S	Bend	trans	-130.2	152.5	-179.4	69.8	0	0	0	0	112.3	W750 F774 S778 E779 C780	W750-T776 VanDerWaalsContact CD1-C 3.47Å; F774-T776 VanDerWaalsContact C-N 3.33Å; F774-T776 PolarHBondContact O-N 3.48Å; T776-S778 PolarHBondContact O-N 3.21Å; T776-E779 PolarHBondContact N-OE2 2.82Å; T776-E779 WeakPolarHBondContact O-CB 3.35Å; T776-E779 PolarHBondContact O-N 3.47Å; T776-E779 VanDerWaalsContact OG1-CB 3.25Å; T776-E779 WeakPolarHBondContact OG1-CB 3.43Å; T776-E779 PolarHBondContact OG1-N 2.83Å; T776-E779 VanDerWaalsContact OG1-N 3.1Å; T776-C780 PolarHBondContact O-N 2.02Å
777	K	85.4	Confident	80	Confident	73 Å²	73	46.8 Å²	46.8	32%	0.317	25%	0.248	S	C	.	.	H	α-helix	trans	-56	-39.6	172.1	-166.9	179.9	-168.2	-177.5	0	111.9	W750 C759 C780 R781	W750-K777 VanDerWaalsContact CD1-N 3.3Å; W750-K777 HydrophobicContact CD2-CB 3.64Å; W750-K777 HydrophobicContact CD2-CG 4.02Å; W750-K777 HydrophobicContact CE3-CB 3.83Å; W750-K777 HydrophobicContact CE3-CD 4.14Å; W750-K777 HydrophobicContact CE3-CG 3.65Å; W750-K777 HydrophobicContact CG-CB 4.23Å; W750-K777 HydrophobicContact CH2-CB 4.04Å; W750-K777 HydrophobicContact CH2-CD 3.67Å; W750-K777 HydrophobicContact CH2-CG 4.01Å; W750-K777 HydrophobicContact CZ2-CB 3.85Å; W750-K777 HydrophobicContact CZ2-CD 4.29Å; W750-K777 HydrophobicContact CZ2-CG 4.34Å; W750-K777 HydrophobicContact CZ3-CB 4.02Å; W750-K777 HydrophobicContact CZ3-CD 3.58Å; W750-K777 HydrophobicContact CZ3-CG 3.64Å; C759-K777 HydrophobicContact CB-CG 4.23Å; K777-C780 PolarHBondContact O-N 3.35Å; K777-R781 VanDerWaalsContact CE-CZ 3.42Å; K777-R781 WeakPolarHBondContact O-CB 3.38Å; K777-R781 WeakPolarHBondContact O-CG 2.79Å; K777-R781 PolarHBondContact O-N 2.88Å
778	S	81.5	Confident	79.5	Confident	90 Å²	90	51.1 Å²	51.1	63%	0.629	27%	0.274	S	S	*	.	H	α-helix	trans	-63.7	-41.8	180	-56.1	0	0	0	0	111.8	T776 R781 L782	T776-S778 PolarHBondContact O-N 3.21Å; S778-R781 PolarHBondContact O-N 2.99Å; S778-L782 VanDerWaalsContact O-CB 3.29Å; S778-L782 WeakPolarHBondContact O-CB 3.39Å; S778-L782 PolarHBondContact O-N 2.86Å
779	E	81.9	Confident	79.5	Confident	42 Å²	42	53 Å²	53	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-45.1	174.9	-178.6	-164.4	160.3	0	0	111.8	K701 F774 L775 T776 R781 L782 K783	K701-E779 IonicContact NZ-OE1 3.12Å; K701-E779 PolarHBondContact NZ-OE1 2.65Å; F774-E779 HydrophobicContact CB-CB 4.48Å; F774-E779 HydrophobicContact CB-CG 4.34Å; F774-E779 HydrophobicContact CD1-CG 4.16Å; L775-E779 WeakPolarHBondContact CB-OE2 3.27Å; L775-E779 PolarHBondContact N-OE2 3.23Å; T776-E779 PolarHBondContact N-OE2 2.82Å; T776-E779 WeakPolarHBondContact O-CB 3.35Å; T776-E779 PolarHBondContact O-N 3.47Å; T776-E779 VanDerWaalsContact OG1-CB 3.25Å; T776-E779 WeakPolarHBondContact OG1-CB 3.43Å; T776-E779 PolarHBondContact OG1-N 2.83Å; T776-E779 VanDerWaalsContact OG1-N 3.1Å; E779-R781 VanDerWaalsContact C-N 3.35Å; E779-R781 PolarHBondContact O-N 3.36Å; E779-L782 PolarHBondContact O-N 3.17Å; E779-K783 PolarHBondContact O-N 3.48Å
780	C	87	Confident	79.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-48	173.9	177	0	0	0	0	110.9	W750 C759 F774 T776 K777 L782 K783 C784	W750-C780 HydrophobicContact CB-CB 4.08Å; C759-C780 HydrophobicContact CB-CB 3.77Å; C759-C780 WeakPolarHBondContact CB-SG 3.44Å; C759-C780 WeakPolarHBondContact SG-CB 3.5Å; C759-C780 CovalentContact SG-SG 2.03Å; C759-C780 PolarHBondContact SG-SG 2.89Å; F774-C780 HydrophobicContact CB-CB 3.81Å; F774-C780 HydrophobicContact CD2-CB 3.42Å; F774-C780 VanDerWaalsContact CD2-CB 3.42Å; F774-C780 VanDerWaalsContact CD2-SG 3.57Å; F774-C780 HydrophobicContact CE2-CB 4.15Å; F774-C780 HydrophobicContact CG-CB 3.7Å; T776-C780 PolarHBondContact O-N 2.02Å; K777-C780 PolarHBondContact O-N 3.35Å; C780-L782 VanDerWaalsContact C-N 3.34Å; C780-L782 PolarHBondContact O-N 3.13Å; C780-K783 PolarHBondContact O-N 3.18Å; C780-C784 WeakPolarHBondContact O-CA 2.98Å; C780-C784 WeakPolarHBondContact O-CB 3.26Å; C780-C784 PolarHBondContact O-N 3.45Å
781	R	79.3	Confident	79.9	Confident	85 Å²	85	52.7 Å²	52.7	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-34.9	179.1	-75.4	175.4	163.7	-177.7	-12.7	113.5	C759 K777 S778 E779 C784 P785 E786	C759-R781 HydrophobicContact CB-CG 4.39Å; C759-R781 PolarHBondContact SG-N 3.16Å; C759-R781 VanDerWaalsContact SG-N 3.44Å; K777-R781 VanDerWaalsContact CE-CZ 3.42Å; K777-R781 WeakPolarHBondContact O-CB 3.38Å; K777-R781 WeakPolarHBondContact O-CG 2.79Å; K777-R781 PolarHBondContact O-N 2.88Å; S778-R781 PolarHBondContact O-N 2.99Å; E779-R781 VanDerWaalsContact C-N 3.35Å; E779-R781 PolarHBondContact O-N 3.36Å; R781-C784 CarbonylContact O-C 3.37Å; R781-P785 WeakPolarHBondContact O-CA 2.96Å; R781-E786 IonicContact CZ-OE1 2.77Å; R781-E786 IonicContact CZ-OE2 3.84Å; R781-E786 IonicContact NE-OE1 3.34Å; R781-E786 PolarHBondContact NE-OE1 3.35Å; R781-E786 IonicContact NE-OE2 3.85Å; R781-E786 IonicContact NH2-OE1 2.54Å; R781-E786 PolarHBondContact NH2-OE1 3.48Å; R781-E786 VanDerWaalsContact NH2-OE1 3.17Å; R781-E786 IonicContact NH2-OE2 3.39Å; R781-E786 PolarHBondContact NH2-OE2 3.06Å
782	L	73	Confident	80	Confident	152 Å²	152	54.6 Å²	54.6	80%	0.796	30%	0.296	S	S	*	.	H	α-helix	trans	-69.2	-42.1	177.9	-171.1	105.5	0	0	0	111.2	S778 E779 C780	S778-L782 VanDerWaalsContact O-CB 3.29Å; S778-L782 WeakPolarHBondContact O-CB 3.39Å; S778-L782 PolarHBondContact O-N 2.86Å; E779-L782 PolarHBondContact O-N 3.17Å; C780-L782 VanDerWaalsContact C-N 3.34Å; C780-L782 PolarHBondContact O-N 3.13Å
783	K	74	Confident	79.7	Confident	100 Å²	100	63 Å²	63	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-80.3	-33.2	178.1	-87.1	-173.8	169.9	-158.8	0	113.5	F774 E779 C780 P785	F774-K783 HydrophobicContact CD1-CD 4.25Å; F774-K783 HydrophobicContact CE1-CB 4.03Å; F774-K783 HydrophobicContact CE1-CD 3.64Å; F774-K783 HydrophobicContact CE1-CG 4.45Å; F774-K783 HydrophobicContact CZ-CB 4.42Å; E779-K783 PolarHBondContact O-N 3.48Å; C780-K783 PolarHBondContact O-N 3.18Å; K783-P785 WeakPolarHBondContact O-CD 3.26Å
784	C	78	Confident	79.4	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.014	35%	0.346	C	S	.	.	S	Bend	trans	-123.8	76.8	-175.5	-52.8	0	0	0	0	109.2	C732 F752 F774 C780 R781 E786	C732-C784 HydrophobicContact CB-CB 3.78Å; C732-C784 WeakPolarHBondContact CB-SG 3.08Å; C732-C784 WeakPolarHBondContact SG-CA 3.25Å; C732-C784 WeakPolarHBondContact SG-CB 3.37Å; C732-C784 CovalentContact SG-SG 2.02Å; C732-C784 PolarHBondContact SG-SG 3.35Å; F752-C784 HydrophobicContact CB-CB 3.83Å; F752-C784 HydrophobicContact CD1-CB 4.27Å; F752-C784 HydrophobicContact CD2-CB 3.34Å; F752-C784 HydrophobicContact CE2-CB 3.88Å; F752-C784 WeakPolarHBondContact CE2-O 3.2Å; F752-C784 HydrophobicContact CG-CB 3.55Å; F774-C784 VanDerWaalsContact CZ-SG 3.53Å; C780-C784 WeakPolarHBondContact O-CA 2.98Å; C780-C784 WeakPolarHBondContact O-CB 3.26Å; C780-C784 PolarHBondContact O-N 3.45Å; R781-C784 CarbonylContact O-C 3.37Å; C784-E786 PolarHBondContact O-N 2.04Å
785	P	60.9	Low	79.3	Confident	87 Å²	87	69.1 Å²	69.1	57%	0.565	37%	0.369	S	S	*	.			trans	-59.7	127.9	-173.7	21.4	-31.5	0	0	0	112.1	R781 K783 F787	R781-P785 WeakPolarHBondContact O-CA 2.96Å; K783-P785 WeakPolarHBondContact O-CD 3.26Å; P785-F787 PolarHBondContact O-N 3.22Å
786	E	59	Low	79.4	Confident	71 Å²	71	64.8 Å²	64.8	33%	0.332	35%	0.346	S	S	.	.			trans	-61	119.2	169.3	-81.5	172.7	-166.2	0	0	108.3	R781 C784 V788	R781-E786 IonicContact CZ-OE1 2.77Å; R781-E786 IonicContact CZ-OE2 3.84Å; R781-E786 IonicContact NE-OE1 3.34Å; R781-E786 PolarHBondContact NE-OE1 3.35Å; R781-E786 IonicContact NE-OE2 3.85Å; R781-E786 IonicContact NH2-OE1 2.54Å; R781-E786 PolarHBondContact NH2-OE1 3.48Å; R781-E786 VanDerWaalsContact NH2-OE1 3.17Å; R781-E786 IonicContact NH2-OE2 3.39Å; R781-E786 PolarHBondContact NH2-OE2 3.06Å; C784-E786 PolarHBondContact O-N 2.04Å; E786-V788 PolarHBondContact O-N 3.26Å
787	F	66.9	Low	79.3	Confident	46 Å²	46	64 Å²	64	20%	0.202	34%	0.337	C	S	.	.			trans	-68.1	114.9	-177.5	172.3	-91.4	0	0	0	110.7	P785 N789 P796 I805 F807 D829 V832	P785-F787 PolarHBondContact O-N 3.22Å; F787-N789 HydrophobicContact CE1-CB 4.2Å; F787-P796 HydrophobicContact CE1-CG 3.74Å; F787-P796 HydrophobicContact CZ-CG 3.76Å; F787-I805 HydrophobicContact CD1-CD1 3.3Å; F787-I805 HydrophobicContact CD2-CD1 3.9Å; F787-I805 HydrophobicContact CE1-CD1 3.25Å; F787-I805 HydrophobicContact CE2-CD1 3.83Å; F787-I805 HydrophobicContact CE2-CG2 4.19Å; F787-I805 HydrophobicContact CG-CD1 3.65Å; F787-I805 HydrophobicContact CZ-CD1 3.52Å; F787-I805 HydrophobicContact CZ-CG2 4.03Å; F787-F807 HydrophobicContact CE2-CE1 4.45Å; F787-D829 WeakPolarHBondContact CE2-O 3.27Å; F787-V832 HydrophobicContact CE2-CG1 3.97Å; F787-V832 HydrophobicContact CZ-CG1 4.13Å; F787-V832 HydrophobicContact CZ-CG2 4.4Å
788	V	73.9	Confident	79.1	Confident	95 Å²	95	65.2 Å²	65.2	58%	0.576	34%	0.34	S	S	*	.			trans	-84.3	114.2	174	179.6	0	0	0	0	109	E786 P790 L874	E786-V788 PolarHBondContact O-N 3.26Å; V788-P790 WeakPolarHBondContact O-CD 3.37Å; V788-P790 VanDerWaalsContact O-N 3.12Å; V788-L874 HydrophobicContact CG1-CD1 4.04Å
789	N	83.5	Confident	78.8	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	32%	0.322	S	S	.	.			trans	-60.5	112.1	178.8	179.9	-0	0	0	0	110.6	F787 C791 G794 E795 P796	F787-N789 HydrophobicContact CE1-CB 4.2Å; N789-C791 VanDerWaalsContact C-N 3.31Å; N789-C791 WeakPolarHBondContact OD1-CB 3.41Å; N789-C791 PolarHBondContact OD1-N 2.71Å; N789-C791 PolarHBondContact OD1-SG 3.16Å; N789-C791 VanDerWaalsContact OD1-SG 3.35Å; N789-G794 PolarHBondContact ND2-O 2.8Å; N789-E795 PolarHBondContact ND2-OE1 2.91Å; N789-P796 WeakPolarHBondContact OD1-CD 3.14Å
790	P	84.6	Confident	78.1	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.355	C	S	.	.			trans	-85.7	-4.4	-177.6	37.3	-36.2	0	0	0	112.8	V788 H823 V832 L874 G875	V788-P790 WeakPolarHBondContact O-CD 3.37Å; V788-P790 VanDerWaalsContact O-N 3.12Å; P790-H823 PolarHBondContact O-NE2 3.47Å; P790-V832 HydrophobicContact CG-CG2 3.3Å; P790-L874 HydrophobicContact CB-CD2 3.75Å; P790-G875 PolarHBondContact O-N 2.94Å
791	C	88.6	Confident	76.9	Confident	14 Å²	14	74.8 Å²	74.8	10%	0.095	39%	0.391	C	S	.	.			trans	-74.2	135.7	-176.3	-55.6	0	0	0	0	112.3	N789 R793 C834	N789-C791 VanDerWaalsContact C-N 3.31Å; N789-C791 WeakPolarHBondContact OD1-CB 3.41Å; N789-C791 PolarHBondContact OD1-N 2.71Å; N789-C791 PolarHBondContact OD1-SG 3.16Å; N789-C791 VanDerWaalsContact OD1-SG 3.35Å; C791-R793 VanDerWaalsContact C-N 3.3Å; C791-R793 PolarHBondContact O-N 3.2Å; C791-C834 WeakPolarHBondContact CA-SG 3.37Å; C791-C834 HydrophobicContact CB-CB 3.65Å; C791-C834 WeakPolarHBondContact CB-SG 3.24Å; C791-C834 WeakPolarHBondContact SG-CA 3.45Å; C791-C834 WeakPolarHBondContact SG-CB 3.47Å; C791-C834 CovalentContact SG-SG 2.03Å; C791-C834 PolarHBondContact SG-SG 3.48Å
792	A	84.6	Confident	75.9	Confident	54 Å²	54	74.6 Å²	74.6	45%	0.446	40%	0.399	S	S	.	.	S	Bend	trans	-67.4	-30.4	176.8	0	0	0	0	0	113.4	G875 G876	A792-G875 VanDerWaalsContact CB-O 3.32Å; A792-G875 WeakPolarHBondContact CB-O 3.29Å; A792-G876 WeakPolarHBondContact CB-O 3.4Å
793	R	80.5	Confident	75.2	Confident	179 Å²	179	69.2 Å²	69.2	68%	0.675	38%	0.38	S	S	*	.	S	Bend	trans	-143	133.6	178.2	-70.7	-174.1	179.4	121.9	1.3	110.1	C791 P835 E838	C791-R793 VanDerWaalsContact C-N 3.3Å; C791-R793 PolarHBondContact O-N 3.2Å; R793-P835 WeakPolarHBondContact O-CD 3.28Å; R793-P835 WeakPolarHBondContact O-CG 3.16Å; R793-E838 IonicContact NH1-OE1 2.89Å; R793-E838 IonicContact NH1-OE2 3.86Å
794	G	83.7	Confident	74.9	Confident	51 Å²	51	69.6 Å²	69.6	53%	0.526	39%	0.385	S	S	.	.	S	Bend	trans	70.2	-179.5	177.2	0	0	0	0	0	114	N789	N789-G794 PolarHBondContact ND2-O 2.8Å
795	E	85.4	Confident	74.9	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-87.5	149.9	179.4	-72.6	-63.3	115.5	0	0	111.4	N789 R798 P835	N789-E795 PolarHBondContact ND2-OE1 2.91Å; E795-R798 IonicContact OE2-NH2 3.66Å; E795-P835 VanDerWaalsContact O-CD 3.26Å; E795-P835 WeakPolarHBondContact O-CD 3.37Å; E795-P835 WeakPolarHBondContact O-CG 3.42Å
796	P	87.8	Confident	75.9	Confident	3 Å²	3	69 Å²	69	2%	0.019	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-58.7	152.1	172.6	-18.6	29.9	0	0	0	111.6	F787 N789 R798 I805 V832 C833	F787-P796 HydrophobicContact CE1-CG 3.74Å; F787-P796 HydrophobicContact CZ-CG 3.76Å; N789-P796 WeakPolarHBondContact OD1-CD 3.14Å; P796-R798 PolarHBondContact O-N 3.02Å; P796-I805 HydrophobicContact CB-CG2 3.76Å; P796-I805 HydrophobicContact CG-CG2 4.36Å; P796-V832 HydrophobicContact CB-CB 4.42Å; P796-V832 HydrophobicContact CB-CG2 4.08Å; P796-V832 HydrophobicContact CG-CG2 4.17Å; P796-C833 CarbonylContact C-O 3.59Å; P796-C833 VanDerWaalsContact CA-O 3.23Å; P796-C833 WeakPolarHBondContact CA-O 3.37Å
797	Y	86.2	Confident	77.2	Confident	47 Å²	47	70.2 Å²	70.2	18%	0.184	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-57.9	129.9	174.6	-177.3	-91.6	0	0	0	110.7	R806 P817 Y820 C833	Y797-R806 HydrophobicContact CD1-CB 3.75Å; Y797-R806 HydrophobicContact CD1-CG 4.46Å; Y797-R806 PolarHBondContact O-N 3.08Å; Y797-P817 HydrophobicContact CD1-CG 3.98Å; Y797-P817 HydrophobicContact CD2-CB 4.32Å; Y797-P817 HydrophobicContact CD2-CG 3.86Å; Y797-P817 HydrophobicContact CE1-CG 3.77Å; Y797-P817 HydrophobicContact CE2-CB 4.06Å; Y797-P817 HydrophobicContact CE2-CG 3.65Å; Y797-P817 HydrophobicContact CG-CG 4.02Å; Y797-Y820 HydrophobicContact CD2-CD2 4.06Å; Y797-Y820 HydrophobicContact CD2-CE1 4.3Å; Y797-Y820 AromaticContact CD2-CE2 3.78Å; Y797-Y820 HydrophobicContact CD2-CE2 3.78Å; Y797-Y820 HydrophobicContact CD2-CG 4.46Å; Y797-Y820 AromaticContact CD2-CZ 3.91Å; Y797-Y820 HydrophobicContact CG-CE1 4.49Å; Y797-C833 PolarHBondContact N-O 3.35Å
798	R	80.7	Confident	78	Confident	98 Å²	98	68.3 Å²	68.3	37%	0.37	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-111.2	136	173.9	-66.7	175.4	-175.8	-97	2.9	110.2	E795 P796 L800 G803 M804 I805	E795-R798 IonicContact OE2-NH2 3.66Å; P796-R798 PolarHBondContact O-N 3.02Å; R798-L800 PolarHBondContact O-N 3.18Å; R798-G803 PolarHBondContact NH1-O 3.3Å; R798-M804 VanDerWaalsContact CA-O 3.3Å; R798-M804 WeakPolarHBondContact CA-O 3.08Å; R798-I805 HydrophobicContact CG-CG1 4.28Å
799	E	75	Confident	78	Confident	54 Å²	54	69.2 Å²	69.2	25%	0.252	37%	0.37	S	S	.	.			trans	-64.9	125.6	173.6	-67.7	-79.5	-142.3	0	0	110.1	S801 T802 G803 M804 R806	E799-S801 PolarHBondContact O-N 3.48Å; E799-S801 VanDerWaalsContact O-N 3.17Å; E799-T802 WeakPolarHBondContact CB-OG1 3.47Å; E799-T802 PolarHBondContact O-N 2.97Å; E799-G803 WeakPolarHBondContact O-CA 3.46Å; E799-G803 PolarHBondContact O-N 3.33Å; E799-M804 PolarHBondContact N-O 3.31Å; E799-R806 VanDerWaalsContact CD-CZ 3.48Å; E799-R806 IonicContact OE1-CZ 2.79Å; E799-R806 IonicContact OE1-NE 3.95Å; E799-R806 IonicContact OE1-NH1 2.81Å; E799-R806 PolarHBondContact OE1-NH1 3.31Å; E799-R806 IonicContact OE1-NH2 3.82Å; E799-R806 PolarHBondContact OE1-NH2 2.93Å; E799-R806 IonicContact OE2-CZ 2.65Å; E799-R806 IonicContact OE2-NE 3.99Å; E799-R806 IonicContact OE2-NH2 3.36Å; E799-R806 PolarHBondContact OE2-NH2 2.78Å
800	L	68.5	Low	77.2	Confident	171 Å²	171	73 Å²	73	90%	0.895	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.8	-178	-75.4	162.6	0	0	0	113	R798	R798-L800 PolarHBondContact O-N 3.18Å
801	S	61	Low	75.8	Confident	108 Å²	108	75.8 Å²	75.8	76%	0.755	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-31	-177.4	52.7	0	0	0	0	114.3	E799	E799-S801 PolarHBondContact O-N 3.48Å; E799-S801 VanDerWaalsContact O-N 3.17Å
802	T	58.5	Low	73.8	Confident	80 Å²	80	80.5 Å²	80.5	49%	0.491	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-12.9	-172.2	61.7	0	0	0	0	113.7	E799 M804	E799-T802 WeakPolarHBondContact CB-OG1 3.47Å; E799-T802 PolarHBondContact O-N 2.97Å; T802-M804 HydrophobicContact CG2-CE 4.25Å; T802-M804 PolarHBondContact O-N 3.31Å; T802-M804 VanDerWaalsContact O-N 3.11Å; T802-M804 PolarHBondContact OG1-N 3.32Å
803	G	57.5	Low	72.2	Confident	39 Å²	39	81.9 Å²	81.9	40%	0.402	46%	0.459	S	S	.	.			trans	68.2	0.9	-172.8	0	0	0	0	0	114.4	R798 E799	R798-G803 PolarHBondContact NH1-O 3.3Å; E799-G803 WeakPolarHBondContact O-CA 3.46Å; E799-G803 PolarHBondContact O-N 3.33Å
804	M	69.1	Low	71.2	Confident	108 Å²	108	76 Å²	76	53%	0.532	45%	0.445	S	S	.	.			trans	-76.1	146.2	-178.7	-65.6	-162.8	-66.1	0	0	111.9	R798 E799 T802	R798-M804 VanDerWaalsContact CA-O 3.3Å; R798-M804 WeakPolarHBondContact CA-O 3.08Å; E799-M804 PolarHBondContact N-O 3.31Å; T802-M804 HydrophobicContact CG2-CE 4.25Å; T802-M804 PolarHBondContact O-N 3.31Å; T802-M804 VanDerWaalsContact O-N 3.11Å; T802-M804 PolarHBondContact OG1-N 3.32Å
805	I	77.1	Confident	70.8	Confident	6 Å²	6	76.8 Å²	76.8	3%	0.031	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-69.9	130.1	176	-63.8	176.6	0	0	0	109.5	F787 P796 R798 F807 V832	F787-I805 HydrophobicContact CD1-CD1 3.3Å; F787-I805 HydrophobicContact CD2-CD1 3.9Å; F787-I805 HydrophobicContact CE1-CD1 3.25Å; F787-I805 HydrophobicContact CE2-CD1 3.83Å; F787-I805 HydrophobicContact CE2-CG2 4.19Å; F787-I805 HydrophobicContact CG-CD1 3.65Å; F787-I805 HydrophobicContact CZ-CD1 3.52Å; F787-I805 HydrophobicContact CZ-CG2 4.03Å; P796-I805 HydrophobicContact CB-CG2 3.76Å; P796-I805 HydrophobicContact CG-CG2 4.36Å; R798-I805 HydrophobicContact CG-CG1 4.28Å; I805-F807 PolarHBondContact O-N 3.27Å; I805-V832 HydrophobicContact CG2-CB 4.15Å; I805-V832 HydrophobicContact CG2-CG1 3.82Å
806	R	81.8	Confident	70.7	Confident	72 Å²	72	72.4 Å²	72.4	27%	0.272	42%	0.421	S	S	.	.			trans	-79.8	108.2	176.8	-176.9	-178	-75	-82.3	9.6	110.4	Y797 E799 C833	Y797-R806 HydrophobicContact CD1-CB 3.75Å; Y797-R806 HydrophobicContact CD1-CG 4.46Å; Y797-R806 PolarHBondContact O-N 3.08Å; E799-R806 VanDerWaalsContact CD-CZ 3.48Å; E799-R806 IonicContact OE1-CZ 2.79Å; E799-R806 IonicContact OE1-NE 3.95Å; E799-R806 IonicContact OE1-NH1 2.81Å; E799-R806 PolarHBondContact OE1-NH1 3.31Å; E799-R806 IonicContact OE1-NH2 3.82Å; E799-R806 PolarHBondContact OE1-NH2 2.93Å; E799-R806 IonicContact OE2-CZ 2.65Å; E799-R806 IonicContact OE2-NE 3.99Å; E799-R806 IonicContact OE2-NH2 3.36Å; E799-R806 PolarHBondContact OE2-NH2 2.78Å; R806-C833 PolarHBondContact O-N 2.89Å; R806-C833 VanDerWaalsContact O-N 3.07Å
807	F	85.8	Confident	70.5	Confident	95 Å²	95	74.1 Å²	74.1	42%	0.417	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-71	147.1	164.9	-60.2	-78.9	0	0	0	110.2	F787 I805 R828 T831 V832	F787-F807 HydrophobicContact CE2-CE1 4.45Å; I805-F807 PolarHBondContact O-N 3.27Å; F807-R828 VanDerWaalsContact CD1-O 3.27Å; F807-R828 WeakPolarHBondContact CD1-O 3.18Å; F807-T831 WeakPolarHBondContact CA-O 3.23Å; F807-V832 HydrophobicContact CD1-CG1 3.52Å; F807-V832 HydrophobicContact CE1-CG1 3.67Å; F807-V832 HydrophobicContact CG-CG1 4.42Å
808	C	84.5	Confident	70.2	Confident	6 Å²	6	80.7 Å²	80.7	4%	0.041	47%	0.47	C	S	.	.			trans	-122.7	159.7	179.9	60	0	0	0	0	110.9	T815 C822 T831 V832	C808-T815 WeakPolarHBondContact CA-OG1 3.09Å; C808-T815 WeakPolarHBondContact CB-OG1 3.43Å; C808-C822 HydrophobicContact CB-CB 3.66Å; C808-C822 WeakPolarHBondContact CB-SG 3.41Å; C808-C822 WeakPolarHBondContact SG-CA 3.48Å; C808-C822 WeakPolarHBondContact SG-CB 3.23Å; C808-C822 CovalentContact SG-SG 2.03Å; C808-C822 PolarHBondContact SG-SG 3.36Å; C808-T831 PolarHBondContact N-O 3.3Å; C808-T831 VanDerWaalsContact N-O 3.08Å; C808-T831 VanDerWaalsContact O-CG2 3.23Å; C808-T831 WeakPolarHBondContact O-CG2 3.04Å; C808-V832 PolarHBondContact SG-O 2.93Å
809	N	74.6	Confident	70.3	Confident	115 Å²	115	78 Å²	78	62%	0.615	47%	0.473	S	S	*	.			trans	-101.8	150.8	178	-67.2	-18.4	0	0	0	110.3	G811	N809-G811 PolarHBondContact O-N 2.95Å
810	Q	67.1	Low	70.9	Confident	126 Å²	126	78.8 Å²	78.8	59%	0.589	47%	0.474	S	S	*	.	S	Bend	trans	-62	123.9	169.4	-98.5	176.5	14.3	0	0	110.1	V824 L882	Q810-V824 HydrophobicContact CG-CG1 3.9Å; Q810-V824 HydrophobicContact CG-CG2 4.18Å; Q810-L882 HydrophobicContact CG-CD2 4.05Å
811	G	53.8	Low	71.8	Confident	59 Å²	59	72.1 Å²	72.1	61%	0.608	44%	0.437	S	S	*	.	S	Bend	trans	161.6	161.6	174.5	0	0	0	0	0	113.2	N809 A813	N809-G811 PolarHBondContact O-N 2.95Å; G811-A813 VanDerWaalsContact C-N 3.27Å; G811-A813 PolarHBondContact O-N 3.4Å
812	S	47.7	Very low	73.1	Confident	114 Å²	114	68 Å²	68	80%	0.797	41%	0.408	S	S	*	.	S	Bend	trans	-65.4	-24.9	-178.8	46.3	0	0	0	0	113.9	S814	S812-S814 PolarHBondContact O-N 3.37Å
813	A	50.5	Low	74.6	Confident	82 Å²	82	64.2 Å²	64.2	68%	0.678	39%	0.385	S	S	*	.	S	Bend	trans	-91	90.2	170.5	0	0	0	0	0	109.5	G811 T815	G811-A813 VanDerWaalsContact C-N 3.27Å; G811-A813 PolarHBondContact O-N 3.4Å; A813-T815 PolarHBondContact O-N 2.84Å
814	S	60	Low	76.1	Confident	55 Å²	55	63.3 Å²	63.3	39%	0.385	37%	0.371	S	S	.	.			trans	-55.7	113.5	174.3	169.5	0	0	0	0	109.6	S812 C816	S812-S814 PolarHBondContact O-N 3.37Å; S814-C816 PolarHBondContact O-N 3.42Å; S814-C816 VanDerWaalsContact OG-CB 3.3Å; S814-C816 WeakPolarHBondContact OG-CB 3.29Å; S814-C816 PolarHBondContact OG-N 2.57Å
815	T	73.7	Confident	76.9	Confident	69 Å²	69	58.5 Å²	58.5	42%	0.423	35%	0.349	S	S	.	.			trans	-67.8	3.5	172	54.3	0	0	0	0	112.9	C808 A813	C808-T815 WeakPolarHBondContact CA-OG1 3.09Å; C808-T815 WeakPolarHBondContact CB-OG1 3.43Å; A813-T815 PolarHBondContact O-N 2.84Å
816	C	84.9	Confident	77.3	Confident	14 Å²	14	62.6 Å²	62.6	10%	0.095	37%	0.374	C	S	.	.	S	Bend	trans	-84.8	140.6	178.2	-56.8	0	0	0	0	111.9	S814 W821 C822 C833	S814-C816 PolarHBondContact O-N 3.42Å; S814-C816 VanDerWaalsContact OG-CB 3.3Å; S814-C816 WeakPolarHBondContact OG-CB 3.29Å; S814-C816 PolarHBondContact OG-N 2.57Å; C816-W821 VanDerWaalsContact SG-C 3.54Å; C816-C822 PolarHBondContact SG-N 2.75Å; C816-C833 WeakPolarHBondContact CA-SG 3.33Å; C816-C833 HydrophobicContact CB-CB 3.63Å; C816-C833 WeakPolarHBondContact CB-SG 3.35Å; C816-C833 WeakPolarHBondContact SG-CA 3.3Å; C816-C833 WeakPolarHBondContact SG-CB 3.06Å; C816-C833 CovalentContact SG-SG 2.03Å; C816-C833 PolarHBondContact SG-SG 2.79Å
817	P	83.2	Confident	77.3	Confident	39 Å²	39	63 Å²	63	25%	0.253	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-57.8	162.8	174.9	-26.4	36.3	0	0	0	113.7	Y797 G819 Y820	Y797-P817 HydrophobicContact CD1-CG 3.98Å; Y797-P817 HydrophobicContact CD2-CB 4.32Å; Y797-P817 HydrophobicContact CD2-CG 3.86Å; Y797-P817 HydrophobicContact CE1-CG 3.77Å; Y797-P817 HydrophobicContact CE2-CB 4.06Å; Y797-P817 HydrophobicContact CE2-CG 3.65Å; Y797-P817 HydrophobicContact CG-CG 4.02Å; P817-G819 PolarHBondContact O-N 3.34Å; P817-Y820 WeakPolarHBondContact O-CB 3.5Å; P817-Y820 PolarHBondContact O-N 3.17Å
818	L	80	Confident	76.9	Confident	184 Å²	184	68.6 Å²	68.6	96%	0.963	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	131.3	175.2	-110.7	139.4	0	0	0	111.6
819	G	81.3	Confident	76.7	Confident	43 Å²	43	72.7 Å²	72.7	44%	0.443	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-2.4	-175.7	0	0	0	0	0	115.2	P817 G836	P817-G819 PolarHBondContact O-N 3.34Å; G819-G836 CarbonylContact C-O 3.56Å; G819-G836 CarbonylContact O-C 3.43Å; G819-G836 PolarHBondContact O-N 2.81Å; G819-G836 VanDerWaalsContact O-O 3.1Å
820	Y	89.1	Confident	77.2	Confident	70 Å²	70	67.7 Å²	67.7	28%	0.275	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	162	174.8	-68.8	-104.4	0	0	0	111.3	Y797 P817 C833 C834 P835 R878	Y797-Y820 HydrophobicContact CD2-CD2 4.06Å; Y797-Y820 HydrophobicContact CD2-CE1 4.3Å; Y797-Y820 AromaticContact CD2-CE2 3.78Å; Y797-Y820 HydrophobicContact CD2-CE2 3.78Å; Y797-Y820 HydrophobicContact CD2-CG 4.46Å; Y797-Y820 AromaticContact CD2-CZ 3.91Å; Y797-Y820 HydrophobicContact CG-CE1 4.49Å; P817-Y820 WeakPolarHBondContact O-CB 3.5Å; P817-Y820 PolarHBondContact O-N 3.17Å; Y820-C833 WeakPolarHBondContact CD1-O 3.37Å; Y820-C834 CarbonylContact C-O 3.5Å; Y820-C834 WeakPolarHBondContact CA-O 3.48Å; Y820-C834 WeakPolarHBondContact CB-O 3.37Å; Y820-P835 HydrophobicContact CD1-CB 4.48Å; Y820-P835 HydrophobicContact CD1-CG 4.18Å; Y820-P835 HydrophobicContact CE1-CB 4.24Å; Y820-P835 HydrophobicContact CE1-CG 3.67Å; Y820-R878 PolarHBondContact O-NH2 3.4Å
821	W	86.8	Confident	78.2	Confident	31 Å²	31	62.5 Å²	62.5	12%	0.117	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158.5	169.3	54.5	-62.6	0	0	0	111.4	C816 H823 C833 C834 P835 G876 R878	C816-W821 VanDerWaalsContact SG-C 3.54Å; W821-H823 HydrophobicContact CH2-CB 4.07Å; W821-H823 HydrophobicContact CZ2-CB 4.42Å; W821-H823 HydrophobicContact CZ3-CB 4.2Å; W821-H823 PolarHBondContact O-N 3.09Å; W821-C833 CarbonylContact O-C 3.56Å; W821-C833 WeakPolarHBondContact O-CA 3.4Å; W821-C834 HydrophobicContact CZ2-CB 4.41Å; W821-C834 PolarHBondContact N-O 2.82Å; W821-C834 PolarHBondContact O-N 3.04Å; W821-P835 PolarHBondContact NE1-O 3.17Å; W821-P835 VanDerWaalsContact NE1-O 3.15Å; W821-G876 WeakPolarHBondContact CZ2-O 3.28Å; W821-R878 HydrophobicContact CB-CG 4.17Å; W821-R878 VanDerWaalsContact CD1-NE 3.3Å; W821-R878 HydrophobicContact CD2-CG 3.36Å; W821-R878 HydrophobicContact CE3-CG 3.68Å; W821-R878 HydrophobicContact CG-CG 3.55Å; W821-R878 HydrophobicContact CZ2-CG 4.37Å; W821-R878 HydrophobicContact CZ3-CG 4.3Å
822	C	88.9	Confident	79.9	Confident	21 Å²	21	59.7 Å²	59.7	14%	0.142	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	104.4	173.4	-172.1	0	0	0	0	111	C808 C816	C808-C822 HydrophobicContact CB-CB 3.66Å; C808-C822 WeakPolarHBondContact CB-SG 3.41Å; C808-C822 WeakPolarHBondContact SG-CA 3.48Å; C808-C822 WeakPolarHBondContact SG-CB 3.23Å; C808-C822 CovalentContact SG-SG 2.03Å; C808-C822 PolarHBondContact SG-SG 3.36Å; C816-C822 PolarHBondContact SG-N 2.75Å
823	H	90.5	Very high	81.9	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.4	163.9	170.4	-78.7	0	0	0	108.4	P790 W821 S830 T831 V832 C834 Y871 G873	P790-H823 PolarHBondContact O-NE2 3.47Å; W821-H823 HydrophobicContact CH2-CB 4.07Å; W821-H823 HydrophobicContact CZ2-CB 4.42Å; W821-H823 HydrophobicContact CZ3-CB 4.2Å; W821-H823 PolarHBondContact O-N 3.09Å; H823-S830 PolarHBondContact CE1-O 3.42Å; H823-S830 PolarHBondContact ND1-O 2.97Å; H823-T831 CarbonylContact O-C 3.5Å; H823-T831 WeakPolarHBondContact O-CA 3.45Å; H823-V832 PolarHBondContact N-O 2.78Å; H823-V832 PolarHBondContact O-N 2.92Å; H823-V832 VanDerWaalsContact O-N 3.12Å; H823-C834 HydrophobicContact CB-CB 4.15Å; H823-C834 WeakPolarHBondContact CB-SG 3.47Å; H823-Y871 AromaticContact NE2-CE1 3.99Å; H823-Y871 AromaticContact NE2-CZ 3.72Å; H823-Y871 PolarHBondContact NE2-OH 3.28Å; H823-G873 PolarHBondContact CE1-O 3.29Å; H823-G873 PolarHBondContact NE2-O 3.11Å
824	V	87.8	Confident	83.8	Confident	20 Å²	20	50.4 Å²	50.4	12%	0.121	27%	0.274	C	S	.	.			trans	-114.1	100.8	-179.6	-175.7	0	0	0	0	110.1	Q810 T831 R856 L882	Q810-V824 HydrophobicContact CG-CG1 3.9Å; Q810-V824 HydrophobicContact CG-CG2 4.18Å; V824-T831 HydrophobicContact CG1-CG2 4.44Å; V824-T831 HydrophobicContact CG2-CG2 4.32Å; V824-R856 PolarHBondContact O-NH2 3.04Å; V824-L882 HydrophobicContact CG1-CD1 4.34Å
825	G	86.2	Confident	85.1	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	27%	0.268	C	S	.	.			trans	-85.4	-148	179.4	0	0	0	0	0	114.1	S830 T831 R856	G825-S830 WeakPolarHBondContact CA-OG 3.4Å; G825-S830 PolarHBondContact N-O 3.27Å; G825-T831 PolarHBondContact N-OG1 3.26Å; G825-R856 PolarHBondContact O-NH2 2.03Å
826	V	85.5	Confident	85.3	Confident	92 Å²	92	47.3 Å²	47.3	56%	0.558	26%	0.258	S	S	*	.	S	Bend	trans	-81.4	-36.6	-179.3	-178.7	0	0	0	0	111.5	S830 A852 L854	V826-S830 PolarHBondContact N-OG 2.91Å; V826-A852 HydrophobicContact CG2-CB 3.3Å; V826-L854 HydrophobicContact CG2-CD1 3.91Å; V826-L854 HydrophobicContact CG2-CD2 4.37Å; V826-L854 HydrophobicContact CG2-CG 4.36Å
827	N	82.4	Confident	84.6	Confident	82 Å²	82	49.9 Å²	49.9	44%	0.439	29%	0.286	S	S	.	.	S	Bend	trans	-136.8	177	-173	62.7	10.3	0	0	0	110.5	D829 S830 T831	N827-D829 PolarHBondContact O-N 3.26Å; N827-D829 PolarHBondContact OD1-N 3.19Å; N827-S830 PolarHBondContact N-OG 3.43Å; N827-S830 PolarHBondContact O-N 3.38Å; N827-S830 PolarHBondContact O-OG 2.85Å; N827-S830 WeakPolarHBondContact OD1-CB 3.15Å; N827-S830 PolarHBondContact OD1-N 2.77Å; N827-S830 PolarHBondContact OD1-OG 3.48Å; N827-T831 PolarHBondContact O-N 3.49Å; N827-T831 PolarHBondContact O-OG1 3.33Å
828	R	77.6	Confident	83.9	Confident	211 Å²	211	52.9 Å²	52.9	80%	0.796	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-58.5	-37	177.1	-78	-174	173.5	-175.1	-1	112.2	F807 S830 T831	F807-R828 VanDerWaalsContact CD1-O 3.27Å; F807-R828 WeakPolarHBondContact CD1-O 3.18Å; R828-S830 VanDerWaalsContact C-N 3.28Å; R828-S830 PolarHBondContact O-N 3.29Å; R828-T831 PolarHBondContact O-N 3.22Å
829	D	79.1	Confident	83.6	Confident	92 Å²	92	50.7 Å²	50.7	49%	0.492	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-67.6	-28.5	-176.6	-54.4	-35.1	0	0	0	113.4	F787 N827	F787-D829 WeakPolarHBondContact CE2-O 3.27Å; N827-D829 PolarHBondContact O-N 3.26Å; N827-D829 PolarHBondContact OD1-N 3.19Å
830	S	84.3	Confident	83.6	Confident	11 Å²	11	51.7 Å²	51.7	8%	0.077	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-94.3	7.4	173.3	53.6	0	0	0	0	113.1	H823 G825 V826 N827 R828	H823-S830 PolarHBondContact CE1-O 3.42Å; H823-S830 PolarHBondContact ND1-O 2.97Å; G825-S830 WeakPolarHBondContact CA-OG 3.4Å; G825-S830 PolarHBondContact N-O 3.27Å; V826-S830 PolarHBondContact N-OG 2.91Å; N827-S830 PolarHBondContact N-OG 3.43Å; N827-S830 PolarHBondContact O-N 3.38Å; N827-S830 PolarHBondContact O-OG 2.85Å; N827-S830 WeakPolarHBondContact OD1-CB 3.15Å; N827-S830 PolarHBondContact OD1-N 2.77Å; N827-S830 PolarHBondContact OD1-OG 3.48Å; R828-S830 VanDerWaalsContact C-N 3.28Å; R828-S830 PolarHBondContact O-N 3.29Å
831	T	89.5	Confident	83.4	Confident	16 Å²	16	48.8 Å²	48.8	10%	0.098	26%	0.263	C	S	.	.			trans	-106.7	86.9	179.1	-56.5	0	0	0	0	111	F807 C808 H823 V824 G825 N827 R828	F807-T831 WeakPolarHBondContact CA-O 3.23Å; C808-T831 PolarHBondContact N-O 3.3Å; C808-T831 VanDerWaalsContact N-O 3.08Å; C808-T831 VanDerWaalsContact O-CG2 3.23Å; C808-T831 WeakPolarHBondContact O-CG2 3.04Å; H823-T831 CarbonylContact O-C 3.5Å; H823-T831 WeakPolarHBondContact O-CA 3.45Å; V824-T831 HydrophobicContact CG1-CG2 4.44Å; V824-T831 HydrophobicContact CG2-CG2 4.32Å; G825-T831 PolarHBondContact N-OG1 3.26Å; N827-T831 PolarHBondContact O-N 3.49Å; N827-T831 PolarHBondContact O-OG1 3.33Å; R828-T831 PolarHBondContact O-N 3.22Å
832	V	88.5	Confident	83.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.3	-167.8	-59.1	0	0	0	0	113.1	F787 P790 P796 I805 F807 C808 H823 C834	F787-V832 HydrophobicContact CE2-CG1 3.97Å; F787-V832 HydrophobicContact CZ-CG1 4.13Å; F787-V832 HydrophobicContact CZ-CG2 4.4Å; P790-V832 HydrophobicContact CG-CG2 3.3Å; P796-V832 HydrophobicContact CB-CB 4.42Å; P796-V832 HydrophobicContact CB-CG2 4.08Å; P796-V832 HydrophobicContact CG-CG2 4.17Å; I805-V832 HydrophobicContact CG2-CB 4.15Å; I805-V832 HydrophobicContact CG2-CG1 3.82Å; F807-V832 HydrophobicContact CD1-CG1 3.52Å; F807-V832 HydrophobicContact CE1-CG1 3.67Å; F807-V832 HydrophobicContact CG-CG1 4.42Å; C808-V832 PolarHBondContact SG-O 2.93Å; H823-V832 PolarHBondContact N-O 2.78Å; H823-V832 PolarHBondContact O-N 2.92Å; H823-V832 VanDerWaalsContact O-N 3.12Å; V832-C834 PolarHBondContact O-N 3.12Å
833	C	90.3	Very high	83.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	105.8	176.1	-66.8	0	0	0	0	112.3	P796 Y797 R806 C816 Y820 W821	P796-C833 CarbonylContact C-O 3.59Å; P796-C833 VanDerWaalsContact CA-O 3.23Å; P796-C833 WeakPolarHBondContact CA-O 3.37Å; Y797-C833 PolarHBondContact N-O 3.35Å; R806-C833 PolarHBondContact O-N 2.89Å; R806-C833 VanDerWaalsContact O-N 3.07Å; C816-C833 WeakPolarHBondContact CA-SG 3.33Å; C816-C833 HydrophobicContact CB-CB 3.63Å; C816-C833 WeakPolarHBondContact CB-SG 3.35Å; C816-C833 WeakPolarHBondContact SG-CA 3.3Å; C816-C833 WeakPolarHBondContact SG-CB 3.06Å; C816-C833 CovalentContact SG-SG 2.03Å; C816-C833 PolarHBondContact SG-SG 2.79Å; Y820-C833 WeakPolarHBondContact CD1-O 3.37Å; W821-C833 CarbonylContact O-C 3.56Å; W821-C833 WeakPolarHBondContact O-CA 3.4Å
834	C	90.5	Very high	83.2	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.3	179.1	-70	0	0	0	0	112.7	C791 Y820 W821 H823 V832	C791-C834 WeakPolarHBondContact CA-SG 3.37Å; C791-C834 HydrophobicContact CB-CB 3.65Å; C791-C834 WeakPolarHBondContact CB-SG 3.24Å; C791-C834 WeakPolarHBondContact SG-CA 3.45Å; C791-C834 WeakPolarHBondContact SG-CB 3.47Å; C791-C834 CovalentContact SG-SG 2.03Å; C791-C834 PolarHBondContact SG-SG 3.48Å; Y820-C834 CarbonylContact C-O 3.5Å; Y820-C834 WeakPolarHBondContact CA-O 3.48Å; Y820-C834 WeakPolarHBondContact CB-O 3.37Å; W821-C834 HydrophobicContact CZ2-CB 4.41Å; W821-C834 PolarHBondContact N-O 2.82Å; W821-C834 PolarHBondContact O-N 3.04Å; H823-C834 HydrophobicContact CB-CB 4.15Å; H823-C834 WeakPolarHBondContact CB-SG 3.47Å; V832-C834 PolarHBondContact O-N 3.12Å
835	P	88.2	Confident	83.4	Confident	39 Å²	39	60.3 Å²	60.3	25%	0.253	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	139.3	174.5	-22.1	31.6	0	0	0	111.8	R793 E795 Y820 W821	R793-P835 WeakPolarHBondContact O-CD 3.28Å; R793-P835 WeakPolarHBondContact O-CG 3.16Å; E795-P835 VanDerWaalsContact O-CD 3.26Å; E795-P835 WeakPolarHBondContact O-CD 3.37Å; E795-P835 WeakPolarHBondContact O-CG 3.42Å; Y820-P835 HydrophobicContact CD1-CB 4.48Å; Y820-P835 HydrophobicContact CD1-CG 4.18Å; Y820-P835 HydrophobicContact CE1-CB 4.24Å; Y820-P835 HydrophobicContact CE1-CG 3.67Å; W821-P835 PolarHBondContact NE1-O 3.17Å; W821-P835 VanDerWaalsContact NE1-O 3.15Å
836	G	77.7	Confident	83.7	Confident	21 Å²	21	61.3 Å²	61.3	22%	0.216	33%	0.332	C	S	.	.			trans	163.9	128.9	172.8	0	0	0	0	0	112.4	G819 R878	G819-G836 CarbonylContact C-O 3.56Å; G819-G836 CarbonylContact O-C 3.43Å; G819-G836 PolarHBondContact O-N 2.81Å; G819-G836 VanDerWaalsContact O-O 3.1Å; G836-R878 PolarHBondContact O-NH2 3.19Å
837	G	69.1	Low	83.9	Confident	67 Å²	67	61.3 Å²	61.3	69%	0.691	33%	0.328	S	S	*	.			trans	-122.9	3.2	172.7	0	0	0	0	0	113.5
838	E	68.1	Low	84.2	Confident	102 Å²	102	58.3 Å²	58.3	48%	0.477	32%	0.317	S	S	.	.	S	Bend	trans	-72	152	-176.7	-59.5	170.8	-178.5	0	0	111.1	R793 M840 L843 R878	R793-E838 IonicContact NH1-OE1 2.89Å; R793-E838 IonicContact NH1-OE2 3.86Å; E838-M840 PolarHBondContact O-N 3.42Å; E838-M840 VanDerWaalsContact O-N 3.13Å; E838-L843 HydrophobicContact CB-CD1 4.47Å; E838-L843 HydrophobicContact CB-CD2 3.71Å; E838-L843 HydrophobicContact CB-CG 4.49Å; E838-L843 HydrophobicContact CG-CD2 4.45Å; E838-L843 WeakPolarHBondContact OE2-CD2 3.47Å; E838-R878 PolarHBondContact O-NH1 3.39Å
839	K	74.2	Confident	84.4	Confident	139 Å²	139	51.1 Å²	51.1	60%	0.604	30%	0.296	S	S	*	.			trans	-68.8	108.4	179.1	-70.5	176.3	175.8	175.7	0	110.1	C841 E842	K839-C841 VanDerWaalsContact C-N 3.28Å; K839-C841 PolarHBondContact O-N 3.26Å; K839-C841 VanDerWaalsContact O-N 3.09Å; K839-E842 HydrophobicContact CB-CB 4.33Å; K839-E842 HydrophobicContact CB-CG 4.19Å; K839-E842 HydrophobicContact CD-CG 4.39Å; K839-E842 WeakPolarHBondContact CD-OE1 3.5Å; K839-E842 WeakPolarHBondContact CD-OE2 3.17Å; K839-E842 IonicContact NZ-OE1 3.93Å; K839-E842 PolarHBondContact NZ-OE1 3.36Å; K839-E842 IonicContact NZ-OE2 2.86Å; K839-E842 PolarHBondContact O-N 3.4Å
840	M	80.8	Confident	84.6	Confident	63 Å²	63	48.3 Å²	48.3	31%	0.31	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-43.1	-45.3	-175.1	50.5	-166.6	173.6	0	0	115.2	E838 E842 L843 R878 N879 H890	E838-M840 PolarHBondContact O-N 3.42Å; E838-M840 VanDerWaalsContact O-N 3.13Å; M840-E842 VanDerWaalsContact C-N 3.35Å; M840-E842 PolarHBondContact O-N 2.88Å; M840-L843 PolarHBondContact O-N 3.02Å; M840-R878 HydrophobicContact CB-CB 3.65Å; M840-N879 WeakPolarHBondContact O-CB 3.41Å; M840-H890 HydrophobicContact CE-CB 3.78Å; M840-H890 WeakPolarHBondContact CE-ND1 3.02Å; M840-H890 HydrophobicContact SD-CB 4.21Å
841	C	86.6	Confident	84.4	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.061	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-79	-14.9	-174.8	-50.9	0	0	0	0	114.7	K839 F859 H890 C891	K839-C841 VanDerWaalsContact C-N 3.28Å; K839-C841 PolarHBondContact O-N 3.26Å; K839-C841 VanDerWaalsContact O-N 3.09Å; C841-F859 HydrophobicContact CB-CD1 3.98Å; C841-F859 HydrophobicContact CB-CG 4.46Å; C841-F859 WeakPolarHBondContact O-CD1 2.98Å; C841-H890 PolarHBondContact SG-O 3.24Å; C841-C891 VanDerWaalsContact CA-SG 3.59Å; C841-C891 HydrophobicContact CB-CB 3.61Å; C841-C891 WeakPolarHBondContact CB-SG 3.35Å; C841-C891 WeakPolarHBondContact SG-CA 3.41Å; C841-C891 WeakPolarHBondContact SG-CB 3.39Å; C841-C891 CovalentContact SG-SG 2.02Å; C841-C891 PolarHBondContact SG-SG 2.03Å
842	E	85.3	Confident	84.2	Confident	126 Å²	126	54.8 Å²	54.8	59%	0.589	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-91.5	-8	178.6	-63	176.9	-167	0	0	111.4	K839 M840	K839-E842 HydrophobicContact CB-CB 4.33Å; K839-E842 HydrophobicContact CB-CG 4.19Å; K839-E842 HydrophobicContact CD-CG 4.39Å; K839-E842 WeakPolarHBondContact CD-OE1 3.5Å; K839-E842 WeakPolarHBondContact CD-OE2 3.17Å; K839-E842 IonicContact NZ-OE1 3.93Å; K839-E842 PolarHBondContact NZ-OE1 3.36Å; K839-E842 IonicContact NZ-OE2 2.86Å; K839-E842 PolarHBondContact O-N 3.4Å; M840-E842 VanDerWaalsContact C-N 3.35Å; M840-E842 PolarHBondContact O-N 2.88Å
843	L	87.6	Confident	84.2	Confident	20 Å²	20	60.2 Å²	60.2	11%	0.105	36%	0.357	C	S	.	.	S	Bend	trans	-75.6	145.8	-178.8	-56.4	176	0	0	0	111.4	E838 M840 N877 R878 N879	E838-L843 HydrophobicContact CB-CD1 4.47Å; E838-L843 HydrophobicContact CB-CD2 3.71Å; E838-L843 HydrophobicContact CB-CG 4.49Å; E838-L843 HydrophobicContact CG-CD2 4.45Å; E838-L843 WeakPolarHBondContact OE2-CD2 3.47Å; M840-L843 PolarHBondContact O-N 3.02Å; L843-N877 HydrophobicContact CD1-CB 4.01Å; L843-R878 HydrophobicContact CD1-CB 3.81Å; L843-N879 HydrophobicContact CB-CB 4Å; L843-N879 PolarHBondContact O-ND2 3.41Å
844	P	89.1	Confident	84.2	Confident	95 Å²	95	62 Å²	62	62%	0.617	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-62.7	154.2	173.8	27.8	-34.9	0	0	0	110.6	S846 N877	P844-S846 PolarHBondContact O-N 2.03Å; P844-N877 PolarHBondContact O-ND2 2.91Å; P844-N877 PolarHBondContact O-OD1 3.29Å
845	L	91.6	Very high	84.3	Confident	74 Å²	74	67 Å²	67	39%	0.387	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-53.9	123.3	166.9	170.7	58.5	0	0	0	109.6	I847 H858 F869	L845-I847 HydrophobicContact CD2-CG1 4.49Å; L845-I847 HydrophobicContact CG-CG1 4.4Å; L845-H858 HydrophobicContact CD1-CB 3.95Å; L845-H858 VanDerWaalsContact CD1-CD2 3.47Å; L845-H858 WeakPolarHBondContact CD1-CD2 3.3Å; L845-F869 HydrophobicContact CD1-CB 4.12Å; L845-F869 HydrophobicContact CD1-CD1 3.8Å; L845-F869 HydrophobicContact CD1-CD2 3.45Å; L845-F869 VanDerWaalsContact CD1-CD2 3.45Å; L845-F869 HydrophobicContact CD1-CE1 3.98Å; L845-F869 HydrophobicContact CD1-CE2 3.66Å; L845-F869 HydrophobicContact CD1-CG 3.52Å; L845-F869 HydrophobicContact CD1-CZ 3.91Å
846	S	92.1	Very high	84.6	Confident	28 Å²	28	65.9 Å²	65.9	20%	0.196	38%	0.384	C	S	.	.			trans	-115.6	106.5	170.3	-175.4	0	0	0	0	110.1	P844 G848 F869 G875 N877	P844-S846 PolarHBondContact O-N 2.03Å; S846-G848 PolarHBondContact O-N 3.46Å; S846-G848 PolarHBondContact OG-N 2.83Å; S846-F869 WeakPolarHBondContact O-CE2 3.48Å; S846-G875 PolarHBondContact OG-O 3.34Å; S846-N877 WeakPolarHBondContact CB-ND2 3.01Å
847	I	90.5	Very high	85.3	Confident	91 Å²	91	67.9 Å²	67.9	47%	0.467	39%	0.385	S	S	.	.			trans	-65	-21.1	172.9	-66.5	172.1	0	0	0	111	L845 F869 Y871 R872	L845-I847 HydrophobicContact CD2-CG1 4.49Å; L845-I847 HydrophobicContact CG-CG1 4.4Å; I847-F869 HydrophobicContact CG1-CD2 4.41Å; I847-Y871 WeakPolarHBondContact O-CD2 2.98Å; I847-R872 HydrophobicContact CG2-CG 3.77Å; I847-R872 PolarHBondContact O-N 3.42Å
848	G	88.1	Confident	86.5	Confident	20 Å²	20	65.4 Å²	65.4	21%	0.206	36%	0.355	C	S	.	.			trans	73.9	-169.6	-176.3	0	0	0	0	0	113.8	S846 L874	S846-G848 PolarHBondContact O-N 3.46Å; S846-G848 PolarHBondContact OG-N 2.83Å; G848-L874 CarbonylContact C-O 3.39Å; G848-L874 WeakPolarHBondContact CA-O 3.27Å
849	T	81.9	Confident	87.7	Confident	60 Å²	60	61 Å²	61	37%	0.368	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-120.6	161.5	175.2	51.5	0	0	0	0	110	R872 L874	T849-R872 CarbonylContact O-C 3.59Å; T849-R872 VanDerWaalsContact O-C 3.31Å; T849-L874 PolarHBondContact N-O 3.07Å; T849-L874 WeakPolarHBondContact O-CA 3.41Å; T849-L874 VanDerWaalsContact O-CB 3.24Å; T849-L874 WeakPolarHBondContact O-CB 3.44Å; T849-L874 PolarHBondContact O-N 3.28Å
850	G	82.8	Confident	88.4	Confident	32 Å²	32	57 Å²	57	33%	0.33	32%	0.32	S	S	.	.	S	Bend	trans	117.5	-173.6	-177.9	0	0	0	0	0	112.6	R872	G850-R872 CarbonylContact C-O 3.55Å; G850-R872 WeakPolarHBondContact CA-O 3.04Å; G850-R872 VanDerWaalsContact O-CZ 3.26Å; G850-R872 PolarHBondContact O-NE 2.86Å; G850-R872 PolarHBondContact O-NH2 3.31Å
851	D	81.3	Confident	88.5	Confident	149 Å²	149	56.8 Å²	56.8	80%	0.797	33%	0.328	S	S	*	.	S	Bend	trans	-112.1	-1.7	-178.3	60.3	-16.8	0	0	0	113.3
852	A	83.3	Confident	88.3	Confident	14 Å²	14	60.9 Å²	60.9	12%	0.116	36%	0.362	C	S	.	.			trans	-70.1	156.9	-180	0	0	0	0	0	112.9	V826 L854 R872	V826-A852 HydrophobicContact CG2-CB 3.3Å; A852-L854 HydrophobicContact CB-CD1 4.45Å; A852-L854 HydrophobicContact CB-CG 4.06Å; A852-R872 WeakPolarHBondContact CB-O 3.38Å; A852-R872 PolarHBondContact N-O 3.4Å; A852-R872 WeakPolarHBondContact O-CA 3.48Å
853	T	88.5	Confident	88.2	Confident	115 Å²	115	57 Å²	57	71%	0.706	35%	0.352	S	S	*	.			trans	-124.6	63.2	178.3	47.3	0	0	0	0	110.2	I870	T853-I870 HydrophobicContact CG2-CG2 4.42Å
854	L	90.7	Very high	87.8	Confident	38 Å²	38	61.7 Å²	61.7	20%	0.199	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.2	-175.6	-56.1	176.7	0	0	0	110.6	V826 A852 R856 Y871	V826-L854 HydrophobicContact CG2-CD1 3.91Å; V826-L854 HydrophobicContact CG2-CD2 4.37Å; V826-L854 HydrophobicContact CG2-CG 4.36Å; A852-L854 HydrophobicContact CB-CD1 4.45Å; A852-L854 HydrophobicContact CB-CG 4.06Å; L854-R856 HydrophobicContact CB-CG 4.39Å; L854-R856 PolarHBondContact O-N 3.32Å; L854-Y871 WeakPolarHBondContact CB-O 3.46Å; L854-Y871 HydrophobicContact CD1-CD1 4.03Å; L854-Y871 PolarHBondContact N-O 3.36Å; L854-Y871 PolarHBondContact O-N 2.98Å
855	N	92.9	Very high	87.7	Confident	106 Å²	106	64.9 Å²	64.9	57%	0.567	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.9	172.7	-75.3	-46.8	0	0	0	110.4	H868 I870	N855-H868 PolarHBondContact OD1-NE2 2.02Å; N855-I870 WeakPolarHBondContact OD1-CD1 3.43Å
856	R	94.3	Very high	87.6	Confident	15 Å²	15	61.8 Å²	61.8	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	169.9	-178	-61.9	-63.5	178.1	134.7	3.2	110.9	V824 G825 L854 H868 F869 Y871 N880 F881	V824-R856 PolarHBondContact O-NH2 3.04Å; G825-R856 PolarHBondContact O-NH2 2.03Å; L854-R856 HydrophobicContact CB-CG 4.39Å; L854-R856 PolarHBondContact O-N 3.32Å; R856-H868 CarbonylContact O-C 3.59Å; R856-H868 WeakPolarHBondContact O-CA 3.3Å; R856-H868 PolarHBondContact O-CD2 3.06Å; R856-F869 CarbonylContact C-O 3.44Å; R856-F869 HydrophobicContact CB-CD1 3.95Å; R856-F869 HydrophobicContact CB-CE1 3.44Å; R856-F869 VanDerWaalsContact CB-CE1 3.44Å; R856-F869 HydrophobicContact CB-CE2 4.4Å; R856-F869 HydrophobicContact CB-CZ 3.71Å; R856-F869 HydrophobicContact CG-CZ 4.49Å; R856-F869 PolarHBondContact N-O 2.86Å; R856-F869 PolarHBondContact O-N 3.18Å; R856-Y871 VanDerWaalsContact CG-CB 3.49Å; R856-Y871 HydrophobicContact CG-CD1 4.46Å; R856-Y871 HydrophobicContact CG-CG 4.3Å; R856-N880 VanDerWaalsContact CB-OD1 3.28Å; R856-N880 WeakPolarHBondContact CB-OD1 3.38Å; R856-N880 VanDerWaalsContact CD-OD1 3.25Å; R856-N880 WeakPolarHBondContact CD-OD1 3.15Å; R856-N880 WeakPolarHBondContact CG-OD1 3.14Å; R856-F881 CarbonylContact C-O 3.49Å; R856-F881 VanDerWaalsContact CA-O 3.31Å; R856-F881 WeakPolarHBondContact CA-O 3.04Å
857	W	93.7	Very high	87.6	Confident	62 Å²	62	62.5 Å²	62.5	24%	0.235	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141	178.7	-66.7	78.6	0	0	0	109.1	C866 V867 H868 F881 K884 C887	W857-C866 HydrophobicContact CE3-CB 4.38Å; W857-V867 CarbonylContact C-O 3.39Å; W857-V867 WeakPolarHBondContact CA-O 3.44Å; W857-V867 VanDerWaalsContact CE3-C 3.48Å; W857-H868 HydrophobicContact CD2-CB 4.08Å; W857-H868 HydrophobicContact CE3-CB 4.02Å; W857-H868 VanDerWaalsContact CE3-N 3.34Å; W857-H868 HydrophobicContact CH2-CB 3.88Å; W857-H868 HydrophobicContact CZ2-CB 3.93Å; W857-H868 HydrophobicContact CZ3-CB 3.93Å; W857-F881 HydrophobicContact CB-CB 4.33Å; W857-F881 PolarHBondContact N-O 3.3Å; W857-F881 WeakPolarHBondContact O-CB 3.23Å; W857-F881 VanDerWaalsContact O-CD2 3.31Å; W857-F881 WeakPolarHBondContact O-CD2 3.36Å; W857-F881 PolarHBondContact O-N 3.31Å; W857-K884 HydrophobicContact CD2-CB 3.6Å; W857-K884 HydrophobicContact CD2-CG 4.15Å; W857-K884 HydrophobicContact CE3-CB 3.7Å; W857-K884 HydrophobicContact CE3-CD 4.32Å; W857-K884 HydrophobicContact CE3-CG 3.68Å; W857-K884 HydrophobicContact CG-CB 4.24Å; W857-K884 VanDerWaalsContact CG-N 3.35Å; W857-K884 HydrophobicContact CH2-CB 3.93Å; W857-K884 HydrophobicContact CH2-CD 3.74Å; W857-K884 HydrophobicContact CH2-CG 3.97Å; W857-K884 HydrophobicContact CZ2-CB 3.83Å; W857-K884 HydrophobicContact CZ2-CD 4.38Å; W857-K884 HydrophobicContact CZ2-CG 4.4Å; W857-K884 HydrophobicContact CZ3-CB 3.86Å; W857-K884 HydrophobicContact CZ3-CD 3.7Å; W857-K884 HydrophobicContact CZ3-CG 3.59Å; W857-C887 HydrophobicContact CB-CB 4.09Å
858	H	93.4	Very high	87.8	Confident	15 Å²	15	62 Å²	62	7%	0.069	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.2	172.2	81	95	0	0	0	109.6	L845 C866 V867 F869 N879 C887	L845-H858 HydrophobicContact CD1-CB 3.95Å; L845-H858 VanDerWaalsContact CD1-CD2 3.47Å; L845-H858 WeakPolarHBondContact CD1-CD2 3.3Å; H858-C866 CarbonylContact O-C 3.54Å; H858-C866 WeakPolarHBondContact O-CA 3.25Å; H858-V867 PolarHBondContact CD2-O 3.03Å; H858-V867 PolarHBondContact N-O 2.85Å; H858-V867 PolarHBondContact O-N 2.8Å; H858-F869 HydrophobicContact CB-CD1 3.95Å; H858-F869 HydrophobicContact CB-CE1 3.81Å; H858-F869 AromaticContact CD2-CD1 3.8Å; H858-N879 WeakPolarHBondContact CA-OD1 3.31Å; H858-N879 WeakPolarHBondContact CB-O 3.45Å; H858-C887 VanDerWaalsContact C-SG 3.56Å
859	F	92.3	Very high	88.1	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.044	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124	170.9	-172.7	-111.4	0	0	0	109.8	C841 A861 N879 C887 C891 T892 F895	C841-F859 HydrophobicContact CB-CD1 3.98Å; C841-F859 HydrophobicContact CB-CG 4.46Å; C841-F859 WeakPolarHBondContact O-CD1 2.98Å; F859-A861 HydrophobicContact CD1-CB 4.36Å; F859-A861 HydrophobicContact CE1-CB 4.17Å; F859-N879 PolarHBondContact N-OD1 3.02Å; F859-N879 PolarHBondContact O-ND2 3.08Å; F859-C887 PolarHBondContact N-SG 3.39Å; F859-C891 HydrophobicContact CB-CB 3.56Å; F859-C891 VanDerWaalsContact CB-SG 3.59Å; F859-C891 HydrophobicContact CD1-CB 3.87Å; F859-C891 HydrophobicContact CD2-CB 3.34Å; F859-C891 HydrophobicContact CE1-CB 4.35Å; F859-C891 HydrophobicContact CE2-CB 3.91Å; F859-C891 HydrophobicContact CG-CB 3.31Å; F859-C891 HydrophobicContact CZ-CB 4.36Å; F859-T892 HydrophobicContact CD2-CG2 4.18Å; F859-T892 HydrophobicContact CE2-CG2 3.71Å; F859-F895 HydrophobicContact CE1-CE2 4.21Å; F859-F895 AromaticContact CZ-CD2 3.95Å; F859-F895 HydrophobicContact CZ-CD2 3.95Å; F859-F895 AromaticContact CZ-CE2 3.74Å; F859-F895 HydrophobicContact CZ-CE2 3.74Å
860	N	90.4	Very high	88.6	Confident	56 Å²	56	62.4 Å²	62.4	30%	0.299	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.7	170.2	-176.8	-31.3	0	0	0	108	A862 A863 K864 R865 V867	N860-A862 PolarHBondContact O-N 3.27Å; N860-A862 WeakPolarHBondContact OD1-CB 2.97Å; N860-A862 PolarHBondContact OD1-N 2.86Å; N860-A863 HydrophobicContact CB-CB 4.05Å; N860-A863 CarbonylContact O-C 3.24Å; N860-A863 PolarHBondContact O-N 3.45Å; N860-A863 PolarHBondContact OD1-N 2.68Å; N860-K864 WeakPolarHBondContact O-CA 3.31Å; N860-K864 PolarHBondContact O-N 3.18Å; N860-R865 PolarHBondContact N-O 3.33Å; N860-R865 PolarHBondContact O-N 3.27Å; N860-V867 HydrophobicContact CB-CG2 3.87Å
861	A	83.2	Confident	89.1	Confident	58 Å²	58	60.9 Å²	60.9	48%	0.479	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.8	-178.4	0	0	0	0	0	113.3	F859	F859-A861 HydrophobicContact CD1-CB 4.36Å; F859-A861 HydrophobicContact CE1-CB 4.17Å
862	A	82.3	Confident	89.6	Confident	94 Å²	94	59.6 Å²	59.6	78%	0.777	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-44	177.4	0	0	0	0	0	111.9	N860 K864	N860-A862 PolarHBondContact O-N 3.27Å; N860-A862 WeakPolarHBondContact OD1-CB 2.97Å; N860-A862 PolarHBondContact OD1-N 2.86Å; A862-K864 PolarHBondContact O-N 2.91Å
863	A	82.9	Confident	89.8	Confident	45 Å²	45	59 Å²	59	37%	0.372	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.5	176.3	0	0	0	0	0	113.3	N860 R865	N860-A863 HydrophobicContact CB-CB 4.05Å; N860-A863 CarbonylContact O-C 3.24Å; N860-A863 PolarHBondContact O-N 3.45Å; N860-A863 PolarHBondContact OD1-N 2.68Å; A863-R865 HydrophobicContact CB-CG 3.83Å; A863-R865 PolarHBondContact O-N 3.34Å; A863-R865 VanDerWaalsContact O-N 3.09Å
864	K	78.5	Confident	89.8	Confident	119 Å²	119	55.5 Å²	55.5	52%	0.517	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	31.2	-176.4	-55.8	-174.1	174.7	-174.6	0	113.9	N860 A862 F895	N860-K864 WeakPolarHBondContact O-CA 3.31Å; N860-K864 PolarHBondContact O-N 3.18Å; A862-K864 PolarHBondContact O-N 2.91Å; K864-F895 HydrophobicContact CB-CD2 3.73Å; K864-F895 HydrophobicContact CB-CE2 3.79Å; K864-F895 HydrophobicContact CB-CG 4.31Å; K864-F895 HydrophobicContact CB-CZ 4.41Å; K864-F895 HydrophobicContact CD-CD1 3.65Å; K864-F895 HydrophobicContact CD-CD2 3.93Å; K864-F895 HydrophobicContact CD-CE1 3.55Å; K864-F895 HydrophobicContact CD-CE2 3.82Å; K864-F895 HydrophobicContact CD-CG 3.85Å; K864-F895 HydrophobicContact CD-CZ 3.63Å; K864-F895 HydrophobicContact CG-CD1 4.42Å; K864-F895 HydrophobicContact CG-CD2 3.86Å; K864-F895 HydrophobicContact CG-CE1 4.12Å; K864-F895 HydrophobicContact CG-CE2 3.5Å; K864-F895 VanDerWaalsContact CG-CE2 3.5Å; K864-F895 HydrophobicContact CG-CG 4.31Å; K864-F895 HydrophobicContact CG-CZ 3.64Å
865	R	86.5	Confident	89.6	Confident	162 Å²	162	54.5 Å²	54.5	61%	0.611	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.4	-175.7	70.1	-177.2	-178.8	160.5	-0.4	111.7	N860 A863 V867	N860-R865 PolarHBondContact N-O 3.33Å; N860-R865 PolarHBondContact O-N 3.27Å; A863-R865 HydrophobicContact CB-CG 3.83Å; A863-R865 PolarHBondContact O-N 3.34Å; A863-R865 VanDerWaalsContact O-N 3.09Å; R865-V867 HydrophobicContact CG-CG2 4.08Å
866	C	91.1	Very high	89.3	Confident	8 Å²	8	49.5 Å²	49.5	5%	0.054	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	172.2	-68.5	0	0	0	0	110.8	W857 H858 K884 C887 Q888	W857-C866 HydrophobicContact CE3-CB 4.38Å; H858-C866 CarbonylContact O-C 3.54Å; H858-C866 WeakPolarHBondContact O-CA 3.25Å; C866-K884 HydrophobicContact CB-CG 4.36Å; C866-C887 HydrophobicContact CB-CB 3.72Å; C866-C887 WeakPolarHBondContact CB-SG 3.4Å; C866-C887 WeakPolarHBondContact SG-CB 3.39Å; C866-C887 PolarHBondContact SG-O 2.8Å; C866-C887 CovalentContact SG-SG 2.03Å; C866-C887 PolarHBondContact SG-SG 2.82Å; C866-Q888 HydrophobicContact CB-CG 4.11Å; C866-Q888 PolarHBondContact SG-N 3.38Å
867	V	91.1	Very high	89	Confident	43 Å²	43	50 Å²	50	26%	0.261	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.7	-177.2	-176.1	0	0	0	0	108.7	W857 H858 N860 R865	W857-V867 CarbonylContact C-O 3.39Å; W857-V867 WeakPolarHBondContact CA-O 3.44Å; W857-V867 VanDerWaalsContact CE3-C 3.48Å; H858-V867 PolarHBondContact CD2-O 3.03Å; H858-V867 PolarHBondContact N-O 2.85Å; H858-V867 PolarHBondContact O-N 2.8Å; N860-V867 HydrophobicContact CB-CG2 3.87Å; R865-V867 HydrophobicContact CG-CG2 4.08Å
868	H	94.2	Very high	88.8	Confident	82 Å²	82	50.2 Å²	50.2	38%	0.38	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	145.5	176.3	169.8	-90.1	0	0	0	111	N855 R856 W857	N855-H868 PolarHBondContact OD1-NE2 2.02Å; R856-H868 CarbonylContact O-C 3.59Å; R856-H868 WeakPolarHBondContact O-CA 3.3Å; R856-H868 PolarHBondContact O-CD2 3.06Å; W857-H868 HydrophobicContact CD2-CB 4.08Å; W857-H868 HydrophobicContact CE3-CB 4.02Å; W857-H868 VanDerWaalsContact CE3-N 3.34Å; W857-H868 HydrophobicContact CH2-CB 3.88Å; W857-H868 HydrophobicContact CZ2-CB 3.93Å; W857-H868 HydrophobicContact CZ3-CB 3.93Å
869	F	94.4	Very high	88.7	Confident	16 Å²	16	49.5 Å²	49.5	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	166.3	170.3	79.5	-75	0	0	0	111.3	L845 S846 I847 R856 H858 Y871 N880	L845-F869 HydrophobicContact CD1-CB 4.12Å; L845-F869 HydrophobicContact CD1-CD1 3.8Å; L845-F869 HydrophobicContact CD1-CD2 3.45Å; L845-F869 VanDerWaalsContact CD1-CD2 3.45Å; L845-F869 HydrophobicContact CD1-CE1 3.98Å; L845-F869 HydrophobicContact CD1-CE2 3.66Å; L845-F869 HydrophobicContact CD1-CG 3.52Å; L845-F869 HydrophobicContact CD1-CZ 3.91Å; S846-F869 WeakPolarHBondContact O-CE2 3.48Å; I847-F869 HydrophobicContact CG1-CD2 4.41Å; R856-F869 CarbonylContact C-O 3.44Å; R856-F869 HydrophobicContact CB-CD1 3.95Å; R856-F869 HydrophobicContact CB-CE1 3.44Å; R856-F869 VanDerWaalsContact CB-CE1 3.44Å; R856-F869 HydrophobicContact CB-CE2 4.4Å; R856-F869 HydrophobicContact CB-CZ 3.71Å; R856-F869 HydrophobicContact CG-CZ 4.49Å; R856-F869 PolarHBondContact N-O 2.86Å; R856-F869 PolarHBondContact O-N 3.18Å; H858-F869 HydrophobicContact CB-CD1 3.95Å; H858-F869 HydrophobicContact CB-CE1 3.81Å; H858-F869 AromaticContact CD2-CD1 3.8Å; F869-Y871 HydrophobicContact CE2-CD2 4.21Å; F869-Y871 HydrophobicContact CE2-CG 4.44Å; F869-N880 HydrophobicContact CZ-CB 4.14Å
870	I	92.2	Very high	88.7	Confident	71 Å²	71	50 Å²	50	36%	0.364	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.7	174.9	-55.3	-59	0	0	0	109.8	T853 N855	T853-I870 HydrophobicContact CG2-CG2 4.42Å; N855-I870 WeakPolarHBondContact OD1-CD1 3.43Å
871	Y	94.4	Very high	88.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.7	177.4	179.4	-123	0	0	0	111.6	H823 I847 L854 R856 F869 G873 L874 G875 G876 N880	H823-Y871 AromaticContact NE2-CE1 3.99Å; H823-Y871 AromaticContact NE2-CZ 3.72Å; H823-Y871 PolarHBondContact NE2-OH 3.28Å; I847-Y871 WeakPolarHBondContact O-CD2 2.98Å; L854-Y871 WeakPolarHBondContact CB-O 3.46Å; L854-Y871 HydrophobicContact CD1-CD1 4.03Å; L854-Y871 PolarHBondContact N-O 3.36Å; L854-Y871 PolarHBondContact O-N 2.98Å; R856-Y871 VanDerWaalsContact CG-CB 3.49Å; R856-Y871 HydrophobicContact CG-CD1 4.46Å; R856-Y871 HydrophobicContact CG-CG 4.3Å; F869-Y871 HydrophobicContact CE2-CD2 4.21Å; F869-Y871 HydrophobicContact CE2-CG 4.44Å; Y871-G873 VanDerWaalsContact C-N 3.32Å; Y871-G873 VanDerWaalsContact CE1-C 3.45Å; Y871-G873 VanDerWaalsContact CE1-CA 3.43Å; Y871-G873 PolarHBondContact O-N 3.1Å; Y871-G873 PolarHBondContact OH-O 2.88Å; Y871-L874 WeakPolarHBondContact OH-CA 3.19Å; Y871-L874 PolarHBondContact OH-N 3.11Å; Y871-L874 PolarHBondContact OH-O 3.17Å; Y871-G875 PolarHBondContact OH-N 3.41Å; Y871-G876 VanDerWaalsContact CE2-CA 3.43Å; Y871-G876 WeakPolarHBondContact OH-CA 2.97Å; Y871-G876 PolarHBondContact OH-N 3.21Å; Y871-N880 WeakPolarHBondContact CD1-ND2 3.27Å; Y871-N880 WeakPolarHBondContact CD2-ND2 3.3Å; Y871-N880 VanDerWaalsContact CG-ND2 3.27Å
872	R	92.1	Very high	88.8	Confident	122 Å²	122	48.2 Å²	48.2	46%	0.46	25%	0.246	S	C	.	.			trans	-84.5	1	-174.1	-61.6	-168.7	79.1	154.3	8	115.6	I847 T849 G850 A852	I847-R872 HydrophobicContact CG2-CG 3.77Å; I847-R872 PolarHBondContact O-N 3.42Å; T849-R872 CarbonylContact O-C 3.59Å; T849-R872 VanDerWaalsContact O-C 3.31Å; G850-R872 CarbonylContact C-O 3.55Å; G850-R872 WeakPolarHBondContact CA-O 3.04Å; G850-R872 VanDerWaalsContact O-CZ 3.26Å; G850-R872 PolarHBondContact O-NE 2.86Å; G850-R872 PolarHBondContact O-NH2 3.31Å; A852-R872 WeakPolarHBondContact CB-O 3.38Å; A852-R872 PolarHBondContact N-O 3.4Å; A852-R872 WeakPolarHBondContact O-CA 3.48Å
873	G	85.9	Confident	89.1	Confident	1 Å²	1	46 Å²	46	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	101.3	-26.5	168.6	0	0	0	0	0	115.6	H823 Y871	H823-G873 PolarHBondContact CE1-O 3.29Å; H823-G873 PolarHBondContact NE2-O 3.11Å; Y871-G873 VanDerWaalsContact C-N 3.32Å; Y871-G873 VanDerWaalsContact CE1-C 3.45Å; Y871-G873 VanDerWaalsContact CE1-CA 3.43Å; Y871-G873 PolarHBondContact O-N 3.1Å; Y871-G873 PolarHBondContact OH-O 2.88Å
874	L	89.4	Confident	89.3	Confident	43 Å²	43	48.4 Å²	48.4	23%	0.225	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-128.4	152.5	-178.7	-49.8	169.9	0	0	0	111.7	V788 P790 G848 T849 Y871 G876	V788-L874 HydrophobicContact CG1-CD1 4.04Å; P790-L874 HydrophobicContact CB-CD2 3.75Å; G848-L874 CarbonylContact C-O 3.39Å; G848-L874 WeakPolarHBondContact CA-O 3.27Å; T849-L874 PolarHBondContact N-O 3.07Å; T849-L874 WeakPolarHBondContact O-CA 3.41Å; T849-L874 VanDerWaalsContact O-CB 3.24Å; T849-L874 WeakPolarHBondContact O-CB 3.44Å; T849-L874 PolarHBondContact O-N 3.28Å; Y871-L874 WeakPolarHBondContact OH-CA 3.19Å; Y871-L874 PolarHBondContact OH-N 3.11Å; Y871-L874 PolarHBondContact OH-O 3.17Å; L874-G876 VanDerWaalsContact C-N 3.28Å; L874-G876 PolarHBondContact O-N 2.86Å
875	G	86.2	Confident	89.5	Confident	17 Å²	17	48.7 Å²	48.7	18%	0.175	23%	0.228	C	C	.	.	S	Bend	trans	70.4	16.2	168.3	0	0	0	0	0	116	P790 A792 S846 Y871	P790-G875 PolarHBondContact O-N 2.94Å; A792-G875 VanDerWaalsContact CB-O 3.32Å; A792-G875 WeakPolarHBondContact CB-O 3.29Å; S846-G875 PolarHBondContact OG-O 3.34Å; Y871-G875 PolarHBondContact OH-N 3.41Å
876	G	86.5	Confident	89.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.			trans	-70.2	163.1	171.6	0	0	0	0	0	112.4	A792 W821 Y871 L874	A792-G876 WeakPolarHBondContact CB-O 3.4Å; W821-G876 WeakPolarHBondContact CZ2-O 3.28Å; Y871-G876 VanDerWaalsContact CE2-CA 3.43Å; Y871-G876 WeakPolarHBondContact OH-CA 2.97Å; Y871-G876 PolarHBondContact OH-N 3.21Å; L874-G876 VanDerWaalsContact C-N 3.28Å; L874-G876 PolarHBondContact O-N 2.86Å
877	N	89.2	Confident	89.2	Confident	27 Å²	27	42.9 Å²	42.9	14%	0.144	21%	0.209	C	C	.	.			trans	-109.5	-177.9	171.8	68	31.4	0	0	0	110.4	L843 P844 S846 N879 N880	L843-N877 HydrophobicContact CD1-CB 4.01Å; P844-N877 PolarHBondContact O-ND2 2.91Å; P844-N877 PolarHBondContact O-OD1 3.29Å; S846-N877 WeakPolarHBondContact CB-ND2 3.01Å; N877-N879 PolarHBondContact O-N 3.37Å; N877-N879 WeakPolarHBondContact OD1-CB 3.16Å; N877-N879 PolarHBondContact OD1-N 3.41Å; N877-N880 VanDerWaalsContact O-CB 3.25Å; N877-N880 WeakPolarHBondContact O-CB 3.44Å
878	R	88.7	Confident	88.8	Confident	65 Å²	65	44.4 Å²	44.4	25%	0.245	21%	0.213	C	C	.	.	S	Bend	trans	-68.4	-11.8	-176.5	-67.9	175.2	164.1	-161	-12.7	114.5	Y820 W821 G836 E838 M840 L843 N880	Y820-R878 PolarHBondContact O-NH2 3.4Å; W821-R878 HydrophobicContact CB-CG 4.17Å; W821-R878 VanDerWaalsContact CD1-NE 3.3Å; W821-R878 HydrophobicContact CD2-CG 3.36Å; W821-R878 HydrophobicContact CE3-CG 3.68Å; W821-R878 HydrophobicContact CG-CG 3.55Å; W821-R878 HydrophobicContact CZ2-CG 4.37Å; W821-R878 HydrophobicContact CZ3-CG 4.3Å; G836-R878 PolarHBondContact O-NH2 3.19Å; E838-R878 PolarHBondContact O-NH1 3.39Å; M840-R878 HydrophobicContact CB-CB 3.65Å; L843-R878 HydrophobicContact CD1-CB 3.81Å; R878-N880 PolarHBondContact O-N 3.03Å
879	N	91.3	Very high	87.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-81.9	51.5	173	-159.9	3	0	0	0	110.9	M840 L843 H858 F859 N877 F881	M840-N879 WeakPolarHBondContact O-CB 3.41Å; L843-N879 HydrophobicContact CB-CB 4Å; L843-N879 PolarHBondContact O-ND2 3.41Å; H858-N879 WeakPolarHBondContact CA-OD1 3.31Å; H858-N879 WeakPolarHBondContact CB-O 3.45Å; F859-N879 PolarHBondContact N-OD1 3.02Å; F859-N879 PolarHBondContact O-ND2 3.08Å; N877-N879 PolarHBondContact O-N 3.37Å; N877-N879 WeakPolarHBondContact OD1-CB 3.16Å; N877-N879 PolarHBondContact OD1-N 3.41Å; N879-F881 WeakPolarHBondContact OD1-CE2 3.31Å
880	N	91.2	Very high	87.1	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.112	23%	0.232	C	C	.	.			trans	-145.2	98	-172.9	-179.4	-8.5	0	0	0	108.5	R856 F869 Y871 N877 R878	R856-N880 VanDerWaalsContact CB-OD1 3.28Å; R856-N880 WeakPolarHBondContact CB-OD1 3.38Å; R856-N880 VanDerWaalsContact CD-OD1 3.25Å; R856-N880 WeakPolarHBondContact CD-OD1 3.15Å; R856-N880 WeakPolarHBondContact CG-OD1 3.14Å; F869-N880 HydrophobicContact CZ-CB 4.14Å; Y871-N880 WeakPolarHBondContact CD1-ND2 3.27Å; Y871-N880 WeakPolarHBondContact CD2-ND2 3.3Å; Y871-N880 VanDerWaalsContact CG-ND2 3.27Å; N877-N880 VanDerWaalsContact O-CB 3.25Å; N877-N880 WeakPolarHBondContact O-CB 3.44Å; R878-N880 PolarHBondContact O-N 3.03Å
881	F	89.9	Confident	86.6	Confident	10 Å²	10	45 Å²	45	4%	0.044	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-109.1	144.5	-174.3	-56.6	-84.4	0	0	0	110.1	R856 W857 N879 S883 L886 C887 H890 C891	R856-F881 CarbonylContact C-O 3.49Å; R856-F881 VanDerWaalsContact CA-O 3.31Å; R856-F881 WeakPolarHBondContact CA-O 3.04Å; W857-F881 HydrophobicContact CB-CB 4.33Å; W857-F881 PolarHBondContact N-O 3.3Å; W857-F881 WeakPolarHBondContact O-CB 3.23Å; W857-F881 VanDerWaalsContact O-CD2 3.31Å; W857-F881 WeakPolarHBondContact O-CD2 3.36Å; W857-F881 PolarHBondContact O-N 3.31Å; N879-F881 WeakPolarHBondContact OD1-CE2 3.31Å; F881-S883 VanDerWaalsContact C-N 3.27Å; F881-S883 PolarHBondContact O-N 3.11Å; F881-L886 HydrophobicContact CB-CB 4.45Å; F881-L886 HydrophobicContact CB-CD2 4.4Å; F881-L886 HydrophobicContact CD1-CD2 4.16Å; F881-L886 HydrophobicContact CD1-CG 4.11Å; F881-C887 HydrophobicContact CB-CB 3.77Å; F881-C887 HydrophobicContact CD1-CB 4.38Å; F881-C887 HydrophobicContact CD2-CB 3.44Å; F881-C887 VanDerWaalsContact CD2-CB 3.44Å; F881-C887 HydrophobicContact CE2-CB 4.12Å; F881-C887 HydrophobicContact CG-CB 3.6Å; F881-H890 HydrophobicContact CE1-CB 3.74Å; F881-H890 AromaticContact CE1-CD2 3.71Å; F881-H890 AromaticContact CE1-CG 4Å; F881-H890 HydrophobicContact CZ-CB 4.08Å; F881-C891 VanDerWaalsContact CZ-SG 3.54Å
882	L	87.1	Confident	85.3	Confident	66 Å²	66	46.8 Å²	46.8	35%	0.346	23%	0.226	S	C	.	.	S	Bend	trans	-66.3	-31.8	177.7	-86.4	74.4	0	0	0	112.7	Q810 V824	Q810-L882 HydrophobicContact CG-CD2 4.05Å; V824-L882 HydrophobicContact CG1-CD1 4.34Å
883	S	89	Confident	83.4	Confident	47 Å²	47	43.3 Å²	43.3	33%	0.329	23%	0.227	S	C	.	.	S	Bend	trans	-139.5	155.8	-173	70.4	0	0	0	0	111.5	F881 K885 L886 C887	F881-S883 VanDerWaalsContact C-N 3.27Å; F881-S883 PolarHBondContact O-N 3.11Å; S883-K885 PolarHBondContact O-N 2.93Å; S883-L886 PolarHBondContact O-N 2.87Å; S883-L886 WeakPolarHBondContact OG-CB 3.25Å; S883-L886 PolarHBondContact OG-N 3.5Å; S883-C887 PolarHBondContact O-N 2.72Å; S883-C887 VanDerWaalsContact O-N 3.14Å
884	K	86.1	Confident	81.2	Confident	96 Å²	96	48.6 Å²	48.6	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-55.8	-44.1	173.5	-169.4	-177.8	179.5	-176.7	0	110.6	W857 C866 L886 C887 Q888	W857-K884 HydrophobicContact CD2-CB 3.6Å; W857-K884 HydrophobicContact CD2-CG 4.15Å; W857-K884 HydrophobicContact CE3-CB 3.7Å; W857-K884 HydrophobicContact CE3-CD 4.32Å; W857-K884 HydrophobicContact CE3-CG 3.68Å; W857-K884 HydrophobicContact CG-CB 4.24Å; W857-K884 VanDerWaalsContact CG-N 3.35Å; W857-K884 HydrophobicContact CH2-CB 3.93Å; W857-K884 HydrophobicContact CH2-CD 3.74Å; W857-K884 HydrophobicContact CH2-CG 3.97Å; W857-K884 HydrophobicContact CZ2-CB 3.83Å; W857-K884 HydrophobicContact CZ2-CD 4.38Å; W857-K884 HydrophobicContact CZ2-CG 4.4Å; W857-K884 HydrophobicContact CZ3-CB 3.86Å; W857-K884 HydrophobicContact CZ3-CD 3.7Å; W857-K884 HydrophobicContact CZ3-CG 3.59Å; C866-K884 HydrophobicContact CB-CG 4.36Å; K884-L886 PolarHBondContact O-N 3.3Å; K884-C887 WeakPolarHBondContact O-CB 3.11Å; K884-C887 PolarHBondContact O-N 3.38Å; K884-Q888 HydrophobicContact CG-CG 4.39Å; K884-Q888 WeakPolarHBondContact O-CB 3.28Å; K884-Q888 VanDerWaalsContact O-CG 3.29Å; K884-Q888 WeakPolarHBondContact O-CG 3.35Å; K884-Q888 PolarHBondContact O-N 2.9Å
885	K	82.5	Confident	78.5	Confident	124 Å²	124	51.3 Å²	51.3	54%	0.539	27%	0.265	S	S	.	.	H	α-helix	trans	-55.3	-52.3	178.3	-175.2	178.7	179.7	177.7	0	111.6	S883 C887 Q888 E889	S883-K885 PolarHBondContact O-N 2.93Å; K885-C887 VanDerWaalsContact C-N 3.33Å; K885-C887 PolarHBondContact O-N 3.41Å; K885-Q888 PolarHBondContact O-N 3.3Å; K885-Q888 VanDerWaalsContact O-N 3.1Å; K885-E889 WeakPolarHBondContact CE-OE1 3.41Å; K885-E889 HydrophobicContact CG-CG 4.45Å; K885-E889 WeakPolarHBondContact CG-OE1 3.29Å; K885-E889 WeakPolarHBondContact O-CB 3.36Å; K885-E889 VanDerWaalsContact O-CG 3.3Å; K885-E889 WeakPolarHBondContact O-CG 3.34Å; K885-E889 PolarHBondContact O-N 2.82Å
886	L	83.3	Confident	75.9	Confident	49 Å²	49	59.1 Å²	59.1	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-40.3	-179.5	-167.6	73.5	0	0	0	111.8	F881 S883 K884 H890	F881-L886 HydrophobicContact CB-CB 4.45Å; F881-L886 HydrophobicContact CB-CD2 4.4Å; F881-L886 HydrophobicContact CD1-CD2 4.16Å; F881-L886 HydrophobicContact CD1-CG 4.11Å; S883-L886 PolarHBondContact O-N 2.87Å; S883-L886 WeakPolarHBondContact OG-CB 3.25Å; S883-L886 PolarHBondContact OG-N 3.5Å; K884-L886 PolarHBondContact O-N 3.3Å; L886-H890 PolarHBondContact O-CD2 2.85Å; L886-H890 PolarHBondContact O-N 3.47Å; L886-H890 VanDerWaalsContact O-N 3.14Å
887	C	87.9	Confident	73.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-43.6	173.8	174.8	0	0	0	0	111.9	W857 H858 F859 C866 F881 S883 K884 K885 H890 C891	W857-C887 HydrophobicContact CB-CB 4.09Å; H858-C887 VanDerWaalsContact C-SG 3.56Å; F859-C887 PolarHBondContact N-SG 3.39Å; C866-C887 HydrophobicContact CB-CB 3.72Å; C866-C887 WeakPolarHBondContact CB-SG 3.4Å; C866-C887 WeakPolarHBondContact SG-CB 3.39Å; C866-C887 PolarHBondContact SG-O 2.8Å; C866-C887 CovalentContact SG-SG 2.03Å; C866-C887 PolarHBondContact SG-SG 2.82Å; F881-C887 HydrophobicContact CB-CB 3.77Å; F881-C887 HydrophobicContact CD1-CB 4.38Å; F881-C887 HydrophobicContact CD2-CB 3.44Å; F881-C887 VanDerWaalsContact CD2-CB 3.44Å; F881-C887 HydrophobicContact CE2-CB 4.12Å; F881-C887 HydrophobicContact CG-CB 3.6Å; S883-C887 PolarHBondContact O-N 2.72Å; S883-C887 VanDerWaalsContact O-N 3.14Å; K884-C887 WeakPolarHBondContact O-CB 3.11Å; K884-C887 PolarHBondContact O-N 3.38Å; K885-C887 VanDerWaalsContact C-N 3.33Å; K885-C887 PolarHBondContact O-N 3.41Å; C887-H890 PolarHBondContact O-N 3.42Å; C887-C891 VanDerWaalsContact O-CB 3.28Å; C887-C891 WeakPolarHBondContact O-CB 2.99Å; C887-C891 PolarHBondContact O-N 2.69Å
888	Q	83.5	Confident	70.4	Confident	75 Å²	75	66.2 Å²	66.2	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-46.2	-179.1	-75.4	173.3	-48	0	0	111	C866 K884 K885 H890 C891 T892	C866-Q888 HydrophobicContact CB-CG 4.11Å; C866-Q888 PolarHBondContact SG-N 3.38Å; K884-Q888 HydrophobicContact CG-CG 4.39Å; K884-Q888 WeakPolarHBondContact O-CB 3.28Å; K884-Q888 VanDerWaalsContact O-CG 3.29Å; K884-Q888 WeakPolarHBondContact O-CG 3.35Å; K884-Q888 PolarHBondContact O-N 2.9Å; K885-Q888 PolarHBondContact O-N 3.3Å; K885-Q888 VanDerWaalsContact O-N 3.1Å; Q888-H890 VanDerWaalsContact C-N 3.29Å; Q888-H890 PolarHBondContact O-N 3.28Å; Q888-C891 PolarHBondContact O-N 3.49Å; Q888-T892 WeakPolarHBondContact CA-OG1 3.19Å; Q888-T892 HydrophobicContact CB-CG2 4.36Å; Q888-T892 WeakPolarHBondContact CB-OG1 3.02Å; Q888-T892 HydrophobicContact CG-CG2 4.07Å; Q888-T892 PolarHBondContact O-N 2.72Å; Q888-T892 PolarHBondContact O-OG1 3.5Å
889	E	74.5	Confident	67.5	Low	111 Å²	111	67.7 Å²	67.7	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-55.3	-44	176	-73.9	169.6	174.3	0	0	111.7	K885	K885-E889 WeakPolarHBondContact CE-OE1 3.41Å; K885-E889 HydrophobicContact CG-CG 4.45Å; K885-E889 WeakPolarHBondContact CG-OE1 3.29Å; K885-E889 WeakPolarHBondContact O-CB 3.36Å; K885-E889 VanDerWaalsContact O-CG 3.3Å; K885-E889 WeakPolarHBondContact O-CG 3.34Å; K885-E889 PolarHBondContact O-N 2.82Å
890	H	78.4	Confident	64.5	Low	69 Å²	69	71 Å²	71	32%	0.319	40%	0.396	S	S	.	.	H	α-helix	trans	-81.9	-29.9	-177.9	-75.7	-58.7	0	0	0	114.7	M840 C841 F881 L886 C887 Q888	M840-H890 HydrophobicContact CE-CB 3.78Å; M840-H890 WeakPolarHBondContact CE-ND1 3.02Å; M840-H890 HydrophobicContact SD-CB 4.21Å; C841-H890 PolarHBondContact SG-O 3.24Å; F881-H890 HydrophobicContact CE1-CB 3.74Å; F881-H890 AromaticContact CE1-CD2 3.71Å; F881-H890 AromaticContact CE1-CG 4Å; F881-H890 HydrophobicContact CZ-CB 4.08Å; L886-H890 PolarHBondContact O-CD2 2.85Å; L886-H890 PolarHBondContact O-N 3.47Å; L886-H890 VanDerWaalsContact O-N 3.14Å; C887-H890 PolarHBondContact O-N 3.42Å; Q888-H890 VanDerWaalsContact C-N 3.29Å; Q888-H890 PolarHBondContact O-N 3.28Å
891	C	82.1	Confident	61.6	Low	0 Å²	0	77.1 Å²	77.1	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-122.1	-35.4	-167.4	-59.3	0	0	0	0	115.6	C841 F859 F881 C887 Q888 G893 I894	C841-C891 VanDerWaalsContact CA-SG 3.59Å; C841-C891 HydrophobicContact CB-CB 3.61Å; C841-C891 WeakPolarHBondContact CB-SG 3.35Å; C841-C891 WeakPolarHBondContact SG-CA 3.41Å; C841-C891 WeakPolarHBondContact SG-CB 3.39Å; C841-C891 CovalentContact SG-SG 2.02Å; C841-C891 PolarHBondContact SG-SG 2.03Å; F859-C891 HydrophobicContact CB-CB 3.56Å; F859-C891 VanDerWaalsContact CB-SG 3.59Å; F859-C891 HydrophobicContact CD1-CB 3.87Å; F859-C891 HydrophobicContact CD2-CB 3.34Å; F859-C891 HydrophobicContact CE1-CB 4.35Å; F859-C891 HydrophobicContact CE2-CB 3.91Å; F859-C891 HydrophobicContact CG-CB 3.31Å; F859-C891 HydrophobicContact CZ-CB 4.36Å; F881-C891 VanDerWaalsContact CZ-SG 3.54Å; C887-C891 VanDerWaalsContact O-CB 3.28Å; C887-C891 WeakPolarHBondContact O-CB 2.99Å; C887-C891 PolarHBondContact O-N 2.69Å; Q888-C891 PolarHBondContact O-N 3.49Å; C891-G893 VanDerWaalsContact C-N 3.25Å; C891-G893 PolarHBondContact O-N 3.44Å; C891-I894 PolarHBondContact O-N 3.19Å
892	T	65.8	Low	58.4	Low	39 Å²	39	84.2 Å²	84.2	24%	0.239	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-77.8	-14	179.8	59.3	0	0	0	0	113	F859 Q888 I894 F895	F859-T892 HydrophobicContact CD2-CG2 4.18Å; F859-T892 HydrophobicContact CE2-CG2 3.71Å; Q888-T892 WeakPolarHBondContact CA-OG1 3.19Å; Q888-T892 HydrophobicContact CB-CG2 4.36Å; Q888-T892 WeakPolarHBondContact CB-OG1 3.02Å; Q888-T892 HydrophobicContact CG-CG2 4.07Å; Q888-T892 PolarHBondContact O-N 2.72Å; Q888-T892 PolarHBondContact O-OG1 3.5Å; T892-I894 PolarHBondContact O-N 2.84Å; T892-I894 VanDerWaalsContact O-N 3.14Å; T892-F895 PolarHBondContact O-N 3.21Å
893	G	51.8	Low	55.7	Low	48 Å²	48	86.5 Å²	86.5	50%	0.495	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-59.9	-16.8	168.4	0	0	0	0	0	114.3	C891	C891-G893 VanDerWaalsContact C-N 3.25Å; C891-G893 PolarHBondContact O-N 3.44Å
894	I	41.3	Very low	52.7	Low	113 Å²	113	90.1 Å²	90.1	58%	0.579	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-81.5	-19	-179.5	-65.7	172.7	0	0	0	112.8	C891 T892	C891-I894 PolarHBondContact O-N 3.19Å; T892-I894 PolarHBondContact O-N 2.84Å; T892-I894 VanDerWaalsContact O-N 3.14Å
895	F	32.8	Very low	49.8	Very low	100 Å²	100	93.1 Å²	93.1	44%	0.439	53%	0.531	S	S	.	.	S	Bend	trans	-98.9	-1.7	176.8	-73.3	-67.1	0	0	0	114.4	F859 K864 T892	F859-F895 HydrophobicContact CE1-CE2 4.21Å; F859-F895 AromaticContact CZ-CD2 3.95Å; F859-F895 HydrophobicContact CZ-CD2 3.95Å; F859-F895 AromaticContact CZ-CE2 3.74Å; F859-F895 HydrophobicContact CZ-CE2 3.74Å; K864-F895 HydrophobicContact CB-CD2 3.73Å; K864-F895 HydrophobicContact CB-CE2 3.79Å; K864-F895 HydrophobicContact CB-CG 4.31Å; K864-F895 HydrophobicContact CB-CZ 4.41Å; K864-F895 HydrophobicContact CD-CD1 3.65Å; K864-F895 HydrophobicContact CD-CD2 3.93Å; K864-F895 HydrophobicContact CD-CE1 3.55Å; K864-F895 HydrophobicContact CD-CE2 3.82Å; K864-F895 HydrophobicContact CD-CG 3.85Å; K864-F895 HydrophobicContact CD-CZ 3.63Å; K864-F895 HydrophobicContact CG-CD1 4.42Å; K864-F895 HydrophobicContact CG-CD2 3.86Å; K864-F895 HydrophobicContact CG-CE1 4.12Å; K864-F895 HydrophobicContact CG-CE2 3.5Å; K864-F895 VanDerWaalsContact CG-CE2 3.5Å; K864-F895 HydrophobicContact CG-CG 4.31Å; K864-F895 HydrophobicContact CG-CZ 3.64Å; T892-F895 PolarHBondContact O-N 3.21Å
896	R	31	Very low	46.9	Very low	181 Å²	181	98.7 Å²	98.7	68%	0.683	55%	0.549	S	S	*	.	S	Bend	trans	-97.3	115.8	165.1	-68.7	-174.2	175.8	-179.2	-0.9	107.9	D1142	R896-D1142 IonicContact NH1-OD2 3.82Å; R896-D1142 PolarHBondContact NH1-OD2 2.9Å
897	S	31.7	Very low	44	Very low	64 Å²	64	101 Å²	101	45%	0.448	58%	0.576	S	S	.	*			trans	77.1	76.4	170.3	76.9	0	0	0	0	118.1	A899 C900	S897-A899 PolarHBondContact O-N 2.81Å; S897-C900 PolarHBondContact O-N 2.76Å; S897-C900 PolarHBondContact OG-SG 2.9Å
898	A	29.1	Very low	41	Very low	112 Å²	112	107.2 Å²	107.2	93%	0.926	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	5.1	148.4	0	0	0	0	0	113.3
899	A	26.2	Very low	38.1	Very low	95 Å²	95	115.4 Å²	115.4	79%	0.785	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-2.2	176	0	0	0	0	0	114.1	S897	S897-A899 PolarHBondContact O-N 2.81Å
900	C	29.2	Very low	35.6	Very low	72 Å²	72	113.6 Å²	113.6	49%	0.486	66%	0.655	S	S	.	*	S	Bend	trans	-103.2	5.8	179.6	-68	0	0	0	0	114.4	S897	S897-C900 PolarHBondContact O-N 2.76Å; S897-C900 PolarHBondContact OG-SG 2.9Å
901	L	29.4	Very low	33	Very low	148 Å²	148	119.7 Å²	119.7	78%	0.775	68%	0.683	S	S	*	*			trans	-120.6	68.9	-179.1	-72.4	169.3	0	0	0	111.6
902	N	24.4	Very low	30.2	Very low	160 Å²	160	128.5 Å²	128.5	86%	0.856	72%	0.724	S	S	*	*			trans	-147.7	85.7	161.3	-105.2	-16.6	0	0	0	110.1
903	S	29.8	Very low	28.4	Very low	113 Å²	113	135 Å²	135	79%	0.79	76%	0.756	S	S	*	*			trans	168.9	59.1	140.1	38.7	0	0	0	0	112	I905	S903-I905 PolarHBondContact O-N 2.82Å
904	S	26	Very low	27	Very low	123 Å²	123	143.8 Å²	143.8	86%	0.86	77%	0.774	S	S	*	*			trans	-89.1	87.2	162	-59.5	0	0	0	0	109.4
905	I	24.3	Very low	26	Very low	159 Å²	159	145.8 Å²	145.8	82%	0.815	79%	0.786	S	S	*	*			trans	-95.3	104	171.4	-64.4	178.6	0	0	0	109.7	S903	S903-I905 PolarHBondContact O-N 2.82Å
906	R	22.6	Very low	25.7	Very low	241 Å²	241	147.1 Å²	147.1	91%	0.909	81%	0.808	S	S	*	*			trans	17.5	112.5	148.3	-78.8	174.7	169.7	172.7	-3	118.5
907	A	22.1	Very low	25.4	Very low	99 Å²	99	143.6 Å²	143.6	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89	144	158.3	0	0	0	0	0	111.6
908	P	25.1	Very low	25	Very low	129 Å²	129	148.6 Å²	148.6	84%	0.838	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-88	150.1	-176.1	-1.9	21.8	0	0	0	114.4
909	R	22	Very low	24.7	Very low	248 Å²	248	150.3 Å²	150.3	94%	0.936	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-56.7	140.2	170.5	-60.8	168.5	176	-179.8	-3.9	110.2
910	G	22.9	Very low	24.5	Very low	73 Å²	73	150.3 Å²	150.3	75%	0.753	82%	0.82	S	S	*	*				104	88.6	51.2	0	0	0	0	0	109.3
911	H	24.2	Very low	24.2	Very low	197 Å²	197	156.7 Å²	156.7	91%	0.912	84%	0.84	S	S	*	*			trans	-124.9	117.8	173.4	-101.4	-76	0	0	0	110.8
912	H	23.3	Very low	23.8	Very low	184 Å²	184	159 Å²	159	85%	0.852	84%	0.844	S	S	*	*			trans	-90.4	137.1	172.1	-85.3	-88.9	0	0	0	110.6
913	L	26.4	Very low	23.8	Very low	175 Å²	175	157.4 Å²	157.4	92%	0.916	84%	0.842	S	S	*	*			trans	-149.3	160.2	151.8	-83.6	-178.4	0	0	0	110.9
914	R	22.2	Very low	23.3	Very low	234 Å²	234	160 Å²	160	88%	0.883	85%	0.845	S	S	*	*			trans	-102.7	157.7	-145.2	-71.3	167.4	172.8	-179.9	-1.1	114.6
915	N	22.3	Very low	23.1	Very low	154 Å²	154	160.5 Å²	160.5	82%	0.824	84%	0.843	S	S	*	*			trans	18.7	130.5	144.1	-71.1	-6.8	0	0	0	120.6
916	S	26.2	Very low	22.9	Very low	128 Å²	128	157.7 Å²	157.7	90%	0.895	84%	0.843	S	S	*	*				-161.5	133.3	124.6	-79.9	0	0	0	0	111.5
917	S	23.4	Very low	22.9	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	84%	0.836	S	S	*	*			trans	-74	149.2	174.7	47.1	0	0	0	0	113.3
918	Q	23.5	Very low	22.9	Very low	170 Å²	170	154.1 Å²	154.1	79%	0.794	84%	0.838	S	S	*	*				175.2	137.5	127.6	-99.4	-175.7	-8.5	0	0	115.6
919	L	23.9	Very low	22.8	Very low	147 Å²	147	154.8 Å²	154.8	77%	0.77	83%	0.834	S	S	*	*			trans	81.7	122.8	139.3	-69	161.5	0	0	0	122.2
920	A	20.7	Very low	23	Very low	95 Å²	95	146.9 Å²	146.9	79%	0.785	82%	0.817	S	S	*	*			trans	-91.3	146.5	175.7	0	0	0	0	0	111.8
921	F	23.1	Very low	23.1	Very low	207 Å²	207	149.2 Å²	149.2	91%	0.908	82%	0.817	S	S	*	*			trans	-113.7	133.9	169.9	-83.2	-87.9	0	0	0	110.4
922	K	21.7	Very low	23.4	Very low	197 Å²	197	146 Å²	146	86%	0.857	80%	0.8	S	S	*	*			trans	-97.9	157.2	177.2	-91.5	-176	175.5	-179.2	0	111.4
923	P	23.3	Very low	24	Very low	125 Å²	125	140.5 Å²	140.5	81%	0.812	78%	0.781	S	S	*	*			trans	-91.2	155	-167.1	34.9	-30.5	0	0	0	114.4
924	I	20.7	Very low	24.6	Very low	169 Å²	169	135 Å²	135	87%	0.867	77%	0.767	S	S	*	*			trans	-106.9	138.8	-175.2	-65.9	170.1	0	0	0	110.3
925	V	20.5	Very low	26	Very low	133 Å²	133	126.2 Å²	126.2	81%	0.806	75%	0.749	S	S	*	*			trans	-84	136.4	178	174.1	0	0	0	0	110.5
926	A	20.6	Very low	27.6	Very low	100 Å²	100	126.7 Å²	126.7	83%	0.826	74%	0.744	S	S	*	*			trans	-153.9	131.8	156	0	0	0	0	0	111.5
927	T	22.1	Very low	29.2	Very low	125 Å²	125	120.9 Å²	120.9	77%	0.767	70%	0.704	S	S	*	*			trans	-75.2	148.3	175.3	42.9	0	0	0	0	112.6
928	V	23.3	Very low	31.3	Very low	139 Å²	139	117 Å²	117	84%	0.842	68%	0.676	S	S	*	*			trans	171.5	126.8	130.1	162.4	0	0	0	0	110.8
929	D	22.2	Very low	33.6	Very low	143 Å²	143	114.9 Å²	114.9	77%	0.765	67%	0.666	S	S	*	*			trans	-4.4	128.2	155	-137	-12.7	0	0	0	121.8
930	S	26	Very low	36.2	Very low	83 Å²	83	111.5 Å²	111.5	58%	0.58	65%	0.646	S	S	*	*			trans	165.5	79.7	142.7	45.1	0	0	0	0	112.4	R995	S930-R995 PolarHBondContact O-NH1 3.07Å; S930-R995 VanDerWaalsContact O-NH1 3.13Å
931	T	26	Very low	39.2	Very low	121 Å²	121	111.7 Å²	111.7	74%	0.742	64%	0.64	S	S	*	*			trans	37	88.2	143	47.1	0	0	0	0	119.5
932	F	30.7	Very low	42.3	Very low	130 Å²	130	106.9 Å²	106.9	57%	0.57	62%	0.62	S	S	*	*				-130.3	117.9	129.6	-120.6	-107	0	0	0	106.4	G934	F932-G934 PolarHBondContact O-N 3.36Å
933	P	34.9	Very low	45.4	Very low	68 Å²	68	100.3 Å²	100.3	44%	0.442	59%	0.594	S	S	.	*			trans	-83.7	78.8	-164.2	31.2	-32.9	0	0	0	112	A937 F978	P933-A937 HydrophobicContact CB-CB 3.58Å; P933-F978 HydrophobicContact CB-CE1 3.94Å; P933-F978 HydrophobicContact CG-CD1 4.33Å; P933-F978 HydrophobicContact CG-CE1 3.8Å
934	G	39.3	Very low	48.3	Very low	60 Å²	60	95.9 Å²	95.9	62%	0.619	57%	0.568	S	S	*	*			trans	-101.4	128.1	169	0	0	0	0	0	111.7	F932 K936	F932-G934 PolarHBondContact O-N 3.36Å; G934-K936 PolarHBondContact O-N 2.87Å
935	G	52.3	Low	51.2	Low	50 Å²	50	88.6 Å²	88.6	52%	0.515	54%	0.535	S	S	.	.	S	Bend	trans	79	-75.5	170.5	0	0	0	0	0	114.7	A937 C938	G935-A937 PolarHBondContact O-N 3.41Å; G935-C938 PolarHBondContact O-N 3.37Å
936	K	54.4	Low	53.6	Low	164 Å²	164	88 Å²	88	71%	0.713	53%	0.526	S	S	*	.	S	Bend	trans	-70.6	-31.2	-169.8	-72.5	-167.1	176.4	-175.6	0	114.6	G934 C938 E939	G934-K936 PolarHBondContact O-N 2.87Å; K936-C938 VanDerWaalsContact C-N 3.33Å; K936-C938 PolarHBondContact O-N 2.99Å; K936-E939 PolarHBondContact O-N 3.37Å
937	A	59.7	Low	56.2	Low	6 Å²	6	84.9 Å²	84.9	5%	0.05	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-61.5	-43	178.6	0	0	0	0	0	111.6	P933 G935 E939 Q940 A975 N976 F978	P933-A937 HydrophobicContact CB-CB 3.58Å; G935-A937 PolarHBondContact O-N 3.41Å; A937-E939 PolarHBondContact O-N 2.8Å; A937-Q940 PolarHBondContact O-N 3.4Å; A937-A975 HydrophobicContact CB-CB 3.71Å; A937-N976 WeakPolarHBondContact O-CB 3.1Å; A937-F978 HydrophobicContact CB-CZ 4.48Å
938	C	67.9	Low	58.5	Low	25 Å²	25	84.6 Å²	84.6	17%	0.169	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-72.1	-11.3	-179.1	-60.1	0	0	0	0	113.4	G935 K936 Y956	G935-C938 PolarHBondContact O-N 3.37Å; K936-C938 VanDerWaalsContact C-N 3.33Å; K936-C938 PolarHBondContact O-N 2.99Å; C938-Y956 HydrophobicContact CB-CD1 3.9Å; C938-Y956 HydrophobicContact CB-CG 4.18Å
939	E	71.4	Confident	60.1	Low	126 Å²	126	84.9 Å²	84.9	59%	0.589	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-87.9	-15.4	175.9	-64.4	176.4	165.2	0	0	112.6	K936 A937	K936-E939 PolarHBondContact O-N 3.37Å; A937-E939 PolarHBondContact O-N 2.8Å
940	Q	80.3	Confident	62.7	Low	75 Å²	75	83.1 Å²	83.1	35%	0.35	49%	0.486	S	S	.	.	S	Bend	trans	-78.1	147.7	178.4	-63.9	178.6	-14.5	0	0	110.7	A937 N976	A937-Q940 PolarHBondContact O-N 3.4Å; Q940-N976 HydrophobicContact CB-CB 4.22Å; Q940-N976 PolarHBondContact O-ND2 3.4Å
941	P	83.8	Confident	64.9	Low	100 Å²	100	82.6 Å²	82.6	65%	0.649	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-68.4	164.9	178.4	27.7	-34.2	0	0	0	112	N943 N974	P941-N943 PolarHBondContact O-N 2.88Å; P941-N974 PolarHBondContact O-ND2 2.83Å; P941-N974 PolarHBondContact O-OD1 3.39Å
942	Q	86.4	Confident	67.5	Low	106 Å²	106	84.2 Å²	84.2	50%	0.495	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-57.7	128.7	169.2	-175.1	-171.3	-28.7	0	0	110.2	F955 F966	Q942-F955 HydrophobicContact CB-CD1 4.2Å; Q942-F955 HydrophobicContact CB-CD2 3.67Å; Q942-F955 HydrophobicContact CB-CE1 4.18Å; Q942-F955 HydrophobicContact CB-CE2 3.65Å; Q942-F955 HydrophobicContact CB-CG 3.95Å; Q942-F955 HydrophobicContact CB-CZ 3.92Å; Q942-F955 HydrophobicContact CG-CD1 3.72Å; Q942-F955 HydrophobicContact CG-CD2 4.13Å; Q942-F955 HydrophobicContact CG-CE1 3.8Å; Q942-F955 HydrophobicContact CG-CE2 4.21Å; Q942-F955 HydrophobicContact CG-CG 3.9Å; Q942-F955 HydrophobicContact CG-CZ 4.05Å; Q942-F966 HydrophobicContact CG-CB 4.23Å; Q942-F966 HydrophobicContact CG-CD2 4.01Å; Q942-F966 HydrophobicContact CG-CG 4.08Å
943	N	88.8	Confident	70.2	Confident	59 Å²	59	81.1 Å²	81.1	32%	0.316	45%	0.453	S	S	.	.			trans	-135.9	106.2	175.7	-176.5	-4.5	0	0	0	111.4	P941 G945 F966 L972 N974	P941-N943 PolarHBondContact O-N 2.88Å; N943-G945 PolarHBondContact O-N 2.77Å; N943-G945 WeakPolarHBondContact OD1-CA 3.37Å; N943-G945 PolarHBondContact OD1-N 3.37Å; N943-F966 WeakPolarHBondContact O-CE2 3.27Å; N943-L972 PolarHBondContact ND2-O 2.78Å; N943-N974 HydrophobicContact CB-CB 4.19Å; N943-N974 VanDerWaalsContact CB-ND2 3.26Å; N943-N974 WeakPolarHBondContact CB-ND2 3.09Å
944	A	83	Confident	72.3	Confident	32 Å²	32	79.2 Å²	79.2	26%	0.264	44%	0.437	S	S	.	.			trans	-65.3	-17.1	178	0	0	0	0	0	113.7	I967 Y968 H969	A944-I967 WeakPolarHBondContact CB-O 3.3Å; A944-Y968 WeakPolarHBondContact O-CD2 3.45Å; A944-H969 WeakPolarHBondContact O-CB 3.48Å; A944-H969 PolarHBondContact O-CD2 3.04Å; A944-H969 PolarHBondContact O-N 2.82Å
945	G	82.7	Confident	74.5	Confident	16 Å²	16	76.9 Å²	76.9	17%	0.165	41%	0.41	C	S	.	.			trans	66.3	-166.3	-176.2	0	0	0	0	0	113.7	N943 T971 L972	N943-G945 PolarHBondContact O-N 2.77Å; N943-G945 WeakPolarHBondContact OD1-CA 3.37Å; N943-G945 PolarHBondContact OD1-N 3.37Å; G945-T971 CarbonylContact C-O 3.49Å; G945-T971 WeakPolarHBondContact CA-O 3.47Å; G945-L972 WeakPolarHBondContact CA-O 3.45Å
946	L	69.4	Low	75.5	Confident	119 Å²	119	78.2 Å²	78.2	62%	0.623	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-123.5	156.1	178.1	-84.4	151.5	0	0	0	109.8	H969 T971 L972	L946-H969 CarbonylContact O-C 3.55Å; L946-T971 PolarHBondContact N-O 2.84Å; L946-T971 CarbonylContact O-C 3.47Å; L946-T971 WeakPolarHBondContact O-CA 3.18Å; L946-T971 WeakPolarHBondContact O-CB 3.26Å; L946-T971 PolarHBondContact O-N 2.77Å; L946-T971 PolarHBondContact O-OG1 3.47Å; L946-L972 HydrophobicContact CB-CB 4.5Å; L946-L972 HydrophobicContact CB-CD1 4.2Å; L946-L972 HydrophobicContact CD1-CD1 3.92Å
947	G	74.8	Confident	76.8	Confident	35 Å²	35	72.3 Å²	72.3	36%	0.361	38%	0.377	S	S	.	.	S	Bend	trans	130.2	168.2	175.8	0	0	0	0	0	113.2	Y949 H969	G947-Y949 VanDerWaalsContact C-N 3.31Å; G947-Y949 PolarHBondContact O-N 3.09Å; G947-H969 CarbonylContact C-O 3.56Å; G947-H969 VanDerWaalsContact C-O 3.31Å; G947-H969 VanDerWaalsContact CA-O 3.28Å; G947-H969 WeakPolarHBondContact CA-O 3.35Å; G947-H969 WeakPolarHBondContact O-CB 3.2Å
948	P	72.3	Confident	77.2	Confident	119 Å²	119	78.9 Å²	78.9	77%	0.773	40%	0.404	S	S	*	.	S	Bend	trans	-82.8	-6.9	-174.8	33.2	-35.7	0	0	0	113.5
949	Y	57	Low	77.3	Confident	146 Å²	146	89 Å²	89	57%	0.573	44%	0.439	S	S	*	.			trans	-78.7	157	-177	-56.3	-73.5	0	0	0	110.6	G947 H969	G947-Y949 VanDerWaalsContact C-N 3.31Å; G947-Y949 PolarHBondContact O-N 3.09Å; Y949-H969 PolarHBondContact N-O 2.74Å; Y949-H969 WeakPolarHBondContact O-CA 3.31Å; Y949-H969 PolarHBondContact O-ND1 3.2Å
950	T	76.7	Confident	77.4	Confident	105 Å²	105	86 Å²	86	64%	0.644	43%	0.431	S	S	*	.			trans	-133.8	86.4	173.1	36.5	0	0	0	0	108	I967	T950-I967 HydrophobicContact CG2-CG2 3.78Å
951	L	71.8	Confident	76.3	Confident	73 Å²	73	84.4 Å²	84.4	38%	0.382	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.2	-177.9	-69.1	161	0	0	0	108.9	R953 Y968	L951-R953 HydrophobicContact CB-CG 4.46Å; L951-R953 PolarHBondContact O-N 2.9Å; L951-Y968 HydrophobicContact CD1-CD1 4.35Å; L951-Y968 PolarHBondContact N-O 3.16Å; L951-Y968 PolarHBondContact O-N 2.78Å
952	R	80.5	Confident	75.3	Confident	155 Å²	155	81.9 Å²	81.9	59%	0.585	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.7	171.1	-171	174.3	-178.5	-114.2	-0.9	108.9	P965	R952-P965 HydrophobicContact CG-CB 4.5Å
953	R	86.2	Confident	74.5	Confident	64 Å²	64	78.4 Å²	78.4	24%	0.242	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	178.9	-180	-68.4	-74.8	173.9	75.8	-1.4	108.6	L951 P965 F966 Y968 N977 F978	L951-R953 HydrophobicContact CB-CG 4.46Å; L951-R953 PolarHBondContact O-N 2.9Å; R953-P965 CarbonylContact O-C 3.45Å; R953-P965 WeakPolarHBondContact O-CA 3.3Å; R953-F966 HydrophobicContact CB-CD1 4.01Å; R953-F966 HydrophobicContact CB-CE1 3.51Å; R953-F966 HydrophobicContact CB-CZ 3.97Å; R953-F966 PolarHBondContact N-O 2.86Å; R953-F966 PolarHBondContact O-N 2.8Å; R953-F966 VanDerWaalsContact O-O 3.12Å; R953-Y968 HydrophobicContact CG-CD1 4.48Å; R953-Y968 HydrophobicContact CG-CG 4.4Å; R953-N977 WeakPolarHBondContact CB-OD1 3.41Å; R953-N977 WeakPolarHBondContact CD-OD1 3.31Å; R953-N977 WeakPolarHBondContact CG-OD1 3.4Å; R953-N977 PolarHBondContact NH1-OD1 3.47Å; R953-N977 VanDerWaalsContact NH1-OD1 3.16Å; R953-F978 CarbonylContact C-O 3.49Å; R953-F978 VanDerWaalsContact CA-O 3.29Å; R953-F978 WeakPolarHBondContact CA-O 3.27Å; R953-F978 WeakPolarHBondContact CB-O 3.45Å; R953-F978 WeakPolarHBondContact CD-O 3.46Å
954	W	80.2	Confident	73.9	Confident	28 Å²	28	78.7 Å²	78.7	11%	0.106	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.5	-178.3	-63.9	79	0	0	0	109.7	C963 E964 P965 N977 F978 E981	W954-C963 HydrophobicContact CE3-CB 4.47Å; W954-E964 CarbonylContact C-O 3.59Å; W954-E964 VanDerWaalsContact CA-O 3.27Å; W954-E964 WeakPolarHBondContact CA-O 3.01Å; W954-P965 HydrophobicContact CD2-CB 3.97Å; W954-P965 HydrophobicContact CE3-CB 4.05Å; W954-P965 HydrophobicContact CE3-CG 4.38Å; W954-P965 HydrophobicContact CH2-CB 4.25Å; W954-P965 HydrophobicContact CH2-CG 4.23Å; W954-P965 HydrophobicContact CZ2-CB 4.14Å; W954-P965 HydrophobicContact CZ3-CB 4.21Å; W954-P965 HydrophobicContact CZ3-CG 4.13Å; W954-N977 CarbonylContact O-C 3.47Å; W954-F978 HydrophobicContact CB-CB 4.28Å; W954-F978 PolarHBondContact N-O 3.39Å; W954-F978 WeakPolarHBondContact O-CB 3.3Å; W954-F978 WeakPolarHBondContact O-CD2 3.42Å; W954-F978 PolarHBondContact O-N 2.99Å; W954-E981 HydrophobicContact CD2-CB 3.88Å; W954-E981 HydrophobicContact CD2-CG 4.45Å; W954-E981 HydrophobicContact CE3-CB 3.87Å; W954-E981 HydrophobicContact CE3-CG 3.93Å; W954-E981 HydrophobicContact CH2-CB 3.83Å; W954-E981 VanDerWaalsContact CH2-CD 3.48Å; W954-E981 HydrophobicContact CH2-CG 3.93Å; W954-E981 WeakPolarHBondContact CH2-OE2 3.23Å; W954-E981 HydrophobicContact CZ2-CB 3.85Å; W954-E981 HydrophobicContact CZ2-CG 4.46Å; W954-E981 HydrophobicContact CZ3-CB 3.83Å; W954-E981 VanDerWaalsContact CZ3-CD 3.48Å; W954-E981 HydrophobicContact CZ3-CG 3.64Å
955	F	85	Confident	74	Confident	12 Å²	12	80 Å²	80	5%	0.053	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.3	174.9	79.9	-77.6	0	0	0	109.5	Q942 N957 C963 E964 F966 N976	Q942-F955 HydrophobicContact CB-CD1 4.2Å; Q942-F955 HydrophobicContact CB-CD2 3.67Å; Q942-F955 HydrophobicContact CB-CE1 4.18Å; Q942-F955 HydrophobicContact CB-CE2 3.65Å; Q942-F955 HydrophobicContact CB-CG 3.95Å; Q942-F955 HydrophobicContact CB-CZ 3.92Å; Q942-F955 HydrophobicContact CG-CD1 3.72Å; Q942-F955 HydrophobicContact CG-CD2 4.13Å; Q942-F955 HydrophobicContact CG-CE1 3.8Å; Q942-F955 HydrophobicContact CG-CE2 4.21Å; Q942-F955 HydrophobicContact CG-CG 3.9Å; Q942-F955 HydrophobicContact CG-CZ 4.05Å; F955-N957 HydrophobicContact CD2-CB 4.47Å; F955-N957 HydrophobicContact CE2-CB 3.65Å; F955-N957 HydrophobicContact CZ-CB 3.94Å; F955-N957 PolarHBondContact O-N 2.77Å; F955-C963 CarbonylContact O-C 3.21Å; F955-C963 VanDerWaalsContact O-CA 3.27Å; F955-C963 WeakPolarHBondContact O-CA 3.42Å; F955-E964 HydrophobicContact CD1-CB 4.42Å; F955-E964 VanDerWaalsContact CD1-O 3.27Å; F955-E964 WeakPolarHBondContact CD1-O 3.22Å; F955-E964 HydrophobicContact CE1-CB 3.85Å; F955-E964 HydrophobicContact CZ-CB 4.29Å; F955-E964 PolarHBondContact N-O 3.4Å; F955-E964 PolarHBondContact O-N 3.33Å; F955-F966 HydrophobicContact CB-CD1 3.98Å; F955-F966 HydrophobicContact CB-CE1 3.93Å; F955-F966 HydrophobicContact CD1-CB 4.04Å; F955-F966 AromaticContact CD1-CD1 3.79Å; F955-F966 HydrophobicContact CD1-CD1 3.79Å; F955-F966 HydrophobicContact CD1-CG 4.1Å; F955-F966 HydrophobicContact CE1-CB 4.36Å; F955-F966 HydrophobicContact CG-CD1 4.32Å; F955-N976 HydrophobicContact CB-CB 4.43Å; F955-N976 WeakPolarHBondContact CB-O 3.16Å
956	Y	74.1	Confident	74.3	Confident	78 Å²	78	79.7 Å²	79.7	31%	0.306	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.6	175.3	-176.4	-103.2	0	0	0	110.2	C938 K958 N976	C938-Y956 HydrophobicContact CB-CD1 3.9Å; C938-Y956 HydrophobicContact CB-CG 4.18Å; Y956-K958 HydrophobicContact CD1-CG 4.26Å; Y956-K958 HydrophobicContact CE1-CB 4.46Å; Y956-K958 HydrophobicContact CE1-CG 3.79Å; Y956-N976 PolarHBondContact N-OD1 3.47Å; Y956-N976 PolarHBondContact O-ND2 3.16Å
957	N	80.2	Confident	75	Confident	40 Å²	40	78 Å²	78	21%	0.214	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	102.8	175.6	-177	-14	0	0	0	109.1	F955 R959 S960 G961 A962 E964	F955-N957 HydrophobicContact CD2-CB 4.47Å; F955-N957 HydrophobicContact CE2-CB 3.65Å; F955-N957 HydrophobicContact CZ-CB 3.94Å; F955-N957 PolarHBondContact O-N 2.77Å; N957-R959 PolarHBondContact O-N 3.14Å; N957-R959 VanDerWaalsContact OD1-CB 3.3Å; N957-R959 WeakPolarHBondContact OD1-CB 3.33Å; N957-R959 PolarHBondContact OD1-N 3.11Å; N957-S960 WeakPolarHBondContact CB-OG 3.49Å; N957-S960 PolarHBondContact O-N 3.12Å; N957-S960 VanDerWaalsContact O-N 3.17Å; N957-S960 PolarHBondContact O-OG 3.49Å; N957-G961 PolarHBondContact O-N 3.49Å; N957-A962 PolarHBondContact N-O 3.21Å; N957-E964 HydrophobicContact CB-CG 4.39Å; N957-E964 VanDerWaalsContact ND2-CD 3.33Å; N957-E964 PolarHBondContact ND2-OE1 2.02Å; N957-E964 VanDerWaalsContact ND2-OE1 3.1Å; N957-E964 PolarHBondContact ND2-OE2 3.09Å
958	K	68.6	Low	75.3	Confident	143 Å²	143	77.6 Å²	77.6	62%	0.622	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.6	177.9	-107.1	-173.9	-179.8	178.6	0	113.8	Y956	Y956-K958 HydrophobicContact CD1-CG 4.26Å; Y956-K958 HydrophobicContact CE1-CB 4.46Å; Y956-K958 HydrophobicContact CE1-CG 3.79Å
959	R	70.7	Confident	75.6	Confident	238 Å²	238	74.8 Å²	74.8	90%	0.898	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-36.8	-178.1	-164.9	-175	-67.9	-117.6	2.3	112.2	N957	N957-R959 PolarHBondContact O-N 3.14Å; N957-R959 VanDerWaalsContact OD1-CB 3.3Å; N957-R959 WeakPolarHBondContact OD1-CB 3.33Å; N957-R959 PolarHBondContact OD1-N 3.11Å
960	S	72.7	Confident	76.1	Confident	62 Å²	62	68.9 Å²	68.9	43%	0.434	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-19.7	174.9	62.2	0	0	0	0	113	N957 A962 E964	N957-S960 WeakPolarHBondContact CB-OG 3.49Å; N957-S960 PolarHBondContact O-N 3.12Å; N957-S960 VanDerWaalsContact O-N 3.17Å; N957-S960 PolarHBondContact O-OG 3.49Å; S960-A962 PolarHBondContact O-N 2.94Å; S960-A962 PolarHBondContact OG-N 2.78Å; S960-E964 WeakPolarHBondContact CB-OE1 3.39Å; S960-E964 PolarHBondContact OG-OE1 3.02Å
961	G	57.8	Low	76.1	Confident	43 Å²	43	67.1 Å²	67.1	44%	0.443	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	13.6	-173.3	0	0	0	0	0	113.4	N957	N957-G961 PolarHBondContact O-N 3.49Å
962	A	63.3	Low	76.1	Confident	47 Å²	47	69.8 Å²	69.8	39%	0.388	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.8	-176.2	0	0	0	0	0	112.1	N957 S960	N957-A962 PolarHBondContact N-O 3.21Å; S960-A962 PolarHBondContact O-N 2.94Å; S960-A962 PolarHBondContact OG-N 2.78Å
963	C	69.1	Low	75.9	Confident	32 Å²	32	63.8 Å²	63.8	22%	0.216	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.8	166.7	-82.5	0	0	0	0	109.6	W954 F955	W954-C963 HydrophobicContact CE3-CB 4.47Å; F955-C963 CarbonylContact O-C 3.21Å; F955-C963 VanDerWaalsContact O-CA 3.27Å; F955-C963 WeakPolarHBondContact O-CA 3.42Å
964	E	76.3	Confident	75.7	Confident	65 Å²	65	62.5 Å²	62.5	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.4	-178.6	-71.8	169.5	-158.1	0	0	110.3	W954 F955 N957 S960	W954-E964 CarbonylContact C-O 3.59Å; W954-E964 VanDerWaalsContact CA-O 3.27Å; W954-E964 WeakPolarHBondContact CA-O 3.01Å; F955-E964 HydrophobicContact CD1-CB 4.42Å; F955-E964 VanDerWaalsContact CD1-O 3.27Å; F955-E964 WeakPolarHBondContact CD1-O 3.22Å; F955-E964 HydrophobicContact CE1-CB 3.85Å; F955-E964 HydrophobicContact CZ-CB 4.29Å; F955-E964 PolarHBondContact N-O 3.4Å; F955-E964 PolarHBondContact O-N 3.33Å; N957-E964 HydrophobicContact CB-CG 4.39Å; N957-E964 VanDerWaalsContact ND2-CD 3.33Å; N957-E964 PolarHBondContact ND2-OE1 2.02Å; N957-E964 VanDerWaalsContact ND2-OE1 3.1Å; N957-E964 PolarHBondContact ND2-OE2 3.09Å; S960-E964 WeakPolarHBondContact CB-OE1 3.39Å; S960-E964 PolarHBondContact OG-OE1 3.02Å
965	P	84.9	Confident	75.6	Confident	61 Å²	61	63.6 Å²	63.6	40%	0.396	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.8	180	30.3	-32.7	0	0	0	111.3	R952 R953 W954	R952-P965 HydrophobicContact CG-CB 4.5Å; R953-P965 CarbonylContact O-C 3.45Å; R953-P965 WeakPolarHBondContact O-CA 3.3Å; W954-P965 HydrophobicContact CD2-CB 3.97Å; W954-P965 HydrophobicContact CE3-CB 4.05Å; W954-P965 HydrophobicContact CE3-CG 4.38Å; W954-P965 HydrophobicContact CH2-CB 4.25Å; W954-P965 HydrophobicContact CH2-CG 4.23Å; W954-P965 HydrophobicContact CZ2-CB 4.14Å; W954-P965 HydrophobicContact CZ3-CB 4.21Å; W954-P965 HydrophobicContact CZ3-CG 4.13Å
966	F	88.6	Confident	75.3	Confident	9 Å²	9	63 Å²	63	4%	0.039	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.9	171.4	79.4	-69	0	0	0	111.7	Q942 N943 R953 F955 Y968 N977	Q942-F966 HydrophobicContact CG-CB 4.23Å; Q942-F966 HydrophobicContact CG-CD2 4.01Å; Q942-F966 HydrophobicContact CG-CG 4.08Å; N943-F966 WeakPolarHBondContact O-CE2 3.27Å; R953-F966 HydrophobicContact CB-CD1 4.01Å; R953-F966 HydrophobicContact CB-CE1 3.51Å; R953-F966 HydrophobicContact CB-CZ 3.97Å; R953-F966 PolarHBondContact N-O 2.86Å; R953-F966 PolarHBondContact O-N 2.8Å; R953-F966 VanDerWaalsContact O-O 3.12Å; F955-F966 HydrophobicContact CB-CD1 3.98Å; F955-F966 HydrophobicContact CB-CE1 3.93Å; F955-F966 HydrophobicContact CD1-CB 4.04Å; F955-F966 AromaticContact CD1-CD1 3.79Å; F955-F966 HydrophobicContact CD1-CD1 3.79Å; F955-F966 HydrophobicContact CD1-CG 4.1Å; F955-F966 HydrophobicContact CE1-CB 4.36Å; F955-F966 HydrophobicContact CG-CD1 4.32Å; F966-Y968 HydrophobicContact CE2-CD2 4.45Å; F966-N977 HydrophobicContact CE1-CB 4.3Å; F966-N977 HydrophobicContact CZ-CB 3.81Å
967	I	84	Confident	75.5	Confident	83 Å²	83	60.7 Å²	60.7	43%	0.426	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.7	176.1	-59.3	-70.9	0	0	0	108.9	A944 T950	A944-I967 WeakPolarHBondContact CB-O 3.3Å; T950-I967 HydrophobicContact CG2-CG2 3.78Å
968	Y	81.9	Confident	75.2	Confident	27 Å²	27	60.2 Å²	60.2	11%	0.106	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.2	174.4	178.2	-120.5	0	0	0	111.1	A944 L951 R953 F966 G970 T971 G973 N977	A944-Y968 WeakPolarHBondContact O-CD2 3.45Å; L951-Y968 HydrophobicContact CD1-CD1 4.35Å; L951-Y968 PolarHBondContact N-O 3.16Å; L951-Y968 PolarHBondContact O-N 2.78Å; R953-Y968 HydrophobicContact CG-CD1 4.48Å; R953-Y968 HydrophobicContact CG-CG 4.4Å; F966-Y968 HydrophobicContact CE2-CD2 4.45Å; Y968-G970 VanDerWaalsContact C-N 3.29Å; Y968-G970 VanDerWaalsContact CE1-C 3.44Å; Y968-G970 VanDerWaalsContact CZ-C 3.45Å; Y968-G970 PolarHBondContact O-N 3.22Å; Y968-G970 VanDerWaalsContact OH-C 3.31Å; Y968-G970 PolarHBondContact OH-O 3.39Å; Y968-T971 VanDerWaalsContact OH-C 3.24Å; Y968-T971 VanDerWaalsContact OH-CA 3.24Å; Y968-T971 WeakPolarHBondContact OH-CA 3.42Å; Y968-T971 PolarHBondContact OH-N 2.71Å; Y968-G973 PolarHBondContact OH-N 2.89Å; Y968-N977 WeakPolarHBondContact CD1-ND2 3.32Å; Y968-N977 WeakPolarHBondContact CD2-ND2 3.36Å; Y968-N977 WeakPolarHBondContact CE2-ND2 3.23Å
969	H	78	Confident	75.1	Confident	59 Å²	59	56.6 Å²	56.6	27%	0.273	33%	0.334	S	S	.	.			trans	-87.7	7	-172.4	-68.2	-59.4	0	0	0	115.5	A944 L946 G947 Y949 T971	A944-H969 WeakPolarHBondContact O-CB 3.48Å; A944-H969 PolarHBondContact O-CD2 3.04Å; A944-H969 PolarHBondContact O-N 2.82Å; L946-H969 CarbonylContact O-C 3.55Å; G947-H969 CarbonylContact C-O 3.56Å; G947-H969 VanDerWaalsContact C-O 3.31Å; G947-H969 VanDerWaalsContact CA-O 3.28Å; G947-H969 WeakPolarHBondContact CA-O 3.35Å; G947-H969 WeakPolarHBondContact O-CB 3.2Å; Y949-H969 PolarHBondContact N-O 2.74Å; Y949-H969 WeakPolarHBondContact O-CA 3.31Å; Y949-H969 PolarHBondContact O-ND1 3.2Å; H969-T971 PolarHBondContact O-N 2.65Å
970	G	66.9	Low	74.4	Confident	23 Å²	23	47.1 Å²	47.1	24%	0.237	31%	0.307	C	S	.	.	S	Bend	trans	92.7	-21.5	170.5	0	0	0	0	0	114.8	Y968	Y968-G970 VanDerWaalsContact C-N 3.29Å; Y968-G970 VanDerWaalsContact CE1-C 3.44Å; Y968-G970 VanDerWaalsContact CZ-C 3.45Å; Y968-G970 PolarHBondContact O-N 3.22Å; Y968-G970 VanDerWaalsContact OH-C 3.31Å; Y968-G970 PolarHBondContact OH-O 3.39Å
971	T	77.1	Confident	73.4	Confident	68 Å²	68	49.7 Å²	49.7	42%	0.417	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-138.5	162.7	175.5	71.8	0	0	0	0	112.9	G945 L946 Y968 H969 G973	G945-T971 CarbonylContact C-O 3.49Å; G945-T971 WeakPolarHBondContact CA-O 3.47Å; L946-T971 PolarHBondContact N-O 2.84Å; L946-T971 CarbonylContact O-C 3.47Å; L946-T971 WeakPolarHBondContact O-CA 3.18Å; L946-T971 WeakPolarHBondContact O-CB 3.26Å; L946-T971 PolarHBondContact O-N 2.77Å; L946-T971 PolarHBondContact O-OG1 3.47Å; Y968-T971 VanDerWaalsContact OH-C 3.24Å; Y968-T971 VanDerWaalsContact OH-CA 3.24Å; Y968-T971 WeakPolarHBondContact OH-CA 3.42Å; Y968-T971 PolarHBondContact OH-N 2.71Å; H969-T971 PolarHBondContact O-N 2.65Å; T971-G973 VanDerWaalsContact C-N 3.31Å; T971-G973 PolarHBondContact O-N 3.37Å
972	L	71.4	Confident	72.9	Confident	129 Å²	129	54.7 Å²	54.7	68%	0.675	32%	0.323	S	S	*	.	S	Bend	trans	56.6	32.2	173.1	-59.2	175.3	0	0	0	116.2	N943 G945 L946	N943-L972 PolarHBondContact ND2-O 2.78Å; G945-L972 WeakPolarHBondContact CA-O 3.45Å; L946-L972 HydrophobicContact CB-CB 4.5Å; L946-L972 HydrophobicContact CB-CD1 4.2Å; L946-L972 HydrophobicContact CD1-CD1 3.92Å
973	G	76	Confident	71.9	Confident	29 Å²	29	57.1 Å²	57.1	30%	0.299	33%	0.33	S	S	.	.			trans	-86.5	178.8	172.3	0	0	0	0	0	112.1	Y968 T971	Y968-G973 PolarHBondContact OH-N 2.89Å; T971-G973 VanDerWaalsContact C-N 3.31Å; T971-G973 PolarHBondContact O-N 3.37Å
974	N	83.4	Confident	70.7	Confident	36 Å²	36	64.7 Å²	64.7	19%	0.193	36%	0.355	C	S	.	.			trans	-108.9	-176.3	170.2	70.4	20.6	0	0	0	110.9	P941 N943 N976 N977	P941-N974 PolarHBondContact O-ND2 2.83Å; P941-N974 PolarHBondContact O-OD1 3.39Å; N943-N974 HydrophobicContact CB-CB 4.19Å; N943-N974 VanDerWaalsContact CB-ND2 3.26Å; N943-N974 WeakPolarHBondContact CB-ND2 3.09Å; N974-N976 VanDerWaalsContact C-N 3.3Å; N974-N976 PolarHBondContact O-N 3.49Å; N974-N976 PolarHBondContact OD1-N 2.03Å; N974-N976 VanDerWaalsContact OD1-N 3.12Å; N974-N977 WeakPolarHBondContact O-CB 3.32Å
975	A	76.8	Confident	68.9	Low	51 Å²	51	65.5 Å²	65.5	42%	0.421	37%	0.368	S	S	.	.	S	Bend	trans	-78.5	-10.5	-173.4	0	0	0	0	0	113.7	A937 N977	A937-A975 HydrophobicContact CB-CB 3.71Å; A975-N977 PolarHBondContact O-N 2.8Å
976	N	79.2	Confident	67	Low	1 Å²	1	71 Å²	71	1%	0.005	38%	0.381	C	S	.	.			trans	-79.1	57.7	172.2	-155.6	2.7	0	0	0	110.3	A937 Q940 F955 Y956 N974 F978	A937-N976 WeakPolarHBondContact O-CB 3.1Å; Q940-N976 HydrophobicContact CB-CB 4.22Å; Q940-N976 PolarHBondContact O-ND2 3.4Å; F955-N976 HydrophobicContact CB-CB 4.43Å; F955-N976 WeakPolarHBondContact CB-O 3.16Å; Y956-N976 PolarHBondContact N-OD1 3.47Å; Y956-N976 PolarHBondContact O-ND2 3.16Å; N974-N976 VanDerWaalsContact C-N 3.3Å; N974-N976 PolarHBondContact O-N 3.49Å; N974-N976 PolarHBondContact OD1-N 2.03Å; N974-N976 VanDerWaalsContact OD1-N 3.12Å; N976-F978 WeakPolarHBondContact OD1-CE2 3.28Å
977	N	79	Confident	65.2	Low	29 Å²	29	73.8 Å²	73.8	16%	0.155	40%	0.396	C	S	.	.			trans	-148.9	90.9	-169.4	-179	-10.4	0	0	0	110.1	R953 W954 F966 Y968 N974 A975	R953-N977 WeakPolarHBondContact CB-OD1 3.41Å; R953-N977 WeakPolarHBondContact CD-OD1 3.31Å; R953-N977 WeakPolarHBondContact CG-OD1 3.4Å; R953-N977 PolarHBondContact NH1-OD1 3.47Å; R953-N977 VanDerWaalsContact NH1-OD1 3.16Å; W954-N977 CarbonylContact O-C 3.47Å; F966-N977 HydrophobicContact CE1-CB 4.3Å; F966-N977 HydrophobicContact CZ-CB 3.81Å; Y968-N977 WeakPolarHBondContact CD1-ND2 3.32Å; Y968-N977 WeakPolarHBondContact CD2-ND2 3.36Å; Y968-N977 WeakPolarHBondContact CE2-ND2 3.23Å; N974-N977 WeakPolarHBondContact O-CB 3.32Å; A975-N977 PolarHBondContact O-N 2.8Å
978	F	73.9	Confident	63.8	Low	29 Å²	29	71.1 Å²	71.1	13%	0.127	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-104.6	144.9	-173.1	-50.3	-69.1	0	0	0	111.6	P933 A937 R953 W954 N976	P933-F978 HydrophobicContact CB-CE1 3.94Å; P933-F978 HydrophobicContact CG-CD1 4.33Å; P933-F978 HydrophobicContact CG-CE1 3.8Å; A937-F978 HydrophobicContact CB-CZ 4.48Å; R953-F978 CarbonylContact C-O 3.49Å; R953-F978 VanDerWaalsContact CA-O 3.29Å; R953-F978 WeakPolarHBondContact CA-O 3.27Å; R953-F978 WeakPolarHBondContact CB-O 3.45Å; R953-F978 WeakPolarHBondContact CD-O 3.46Å; W954-F978 HydrophobicContact CB-CB 4.28Å; W954-F978 PolarHBondContact N-O 3.39Å; W954-F978 WeakPolarHBondContact O-CB 3.3Å; W954-F978 WeakPolarHBondContact O-CD2 3.42Å; W954-F978 PolarHBondContact O-N 2.99Å; N976-F978 WeakPolarHBondContact OD1-CE2 3.28Å
979	A	65.4	Low	62.6	Low	68 Å²	68	70.2 Å²	70.2	56%	0.562	38%	0.382	S	S	*	.	S	Bend	trans	-78.4	-25.2	-175.4	0	0	0	0	0	114.2	L983	A979-L983 HydrophobicContact CB-CD1 4.03Å
980	A	57.1	Low	61.4	Low	39 Å²	39	72.7 Å²	72.7	32%	0.322	41%	0.406	S	S	.	.	S	Bend	trans	-142.9	155.5	177.6	0	0	0	0	0	110.1	E982 L983	A980-E982 PolarHBondContact O-N 3.36Å; A980-L983 HydrophobicContact CB-CB 4.45Å; A980-L983 HydrophobicContact CB-CD1 3.91Å; A980-L983 HydrophobicContact CB-CG 4.44Å; A980-L983 PolarHBondContact O-N 2.76Å
981	E	51	Low	60.9	Low	116 Å²	116	73.4 Å²	73.4	54%	0.542	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-56.9	-39.6	174.6	-172.1	172	-169.1	0	0	111.6	W954 L983	W954-E981 HydrophobicContact CD2-CB 3.88Å; W954-E981 HydrophobicContact CD2-CG 4.45Å; W954-E981 HydrophobicContact CE3-CB 3.87Å; W954-E981 HydrophobicContact CE3-CG 3.93Å; W954-E981 HydrophobicContact CH2-CB 3.83Å; W954-E981 VanDerWaalsContact CH2-CD 3.48Å; W954-E981 HydrophobicContact CH2-CG 3.93Å; W954-E981 WeakPolarHBondContact CH2-OE2 3.23Å; W954-E981 HydrophobicContact CZ2-CB 3.85Å; W954-E981 HydrophobicContact CZ2-CG 4.46Å; W954-E981 HydrophobicContact CZ3-CB 3.83Å; W954-E981 VanDerWaalsContact CZ3-CD 3.48Å; W954-E981 HydrophobicContact CZ3-CG 3.64Å; E981-L983 VanDerWaalsContact C-N 3.35Å; E981-L983 PolarHBondContact O-N 3.18Å
982	E	47.2	Very low	60	Low	147 Å²	147	77.8 Å²	77.8	69%	0.687	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-84.5	-2	-172.3	-60.9	171	-178.8	0	0	114.2	A980 Y984 S985	A980-E982 PolarHBondContact O-N 3.36Å; E982-Y984 PolarHBondContact O-N 2.89Å; E982-Y984 VanDerWaalsContact O-N 3.17Å; E982-S985 PolarHBondContact O-N 3.46Å
983	L	43.1	Very low	59.5	Low	99 Å²	99	73 Å²	73	52%	0.518	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-77.3	2.4	-173	-108.3	156.8	0	0	0	114.5	A979 A980 E981	A979-L983 HydrophobicContact CB-CD1 4.03Å; A980-L983 HydrophobicContact CB-CB 4.45Å; A980-L983 HydrophobicContact CB-CD1 3.91Å; A980-L983 HydrophobicContact CB-CG 4.44Å; A980-L983 PolarHBondContact O-N 2.76Å; E981-L983 VanDerWaalsContact C-N 3.35Å; E981-L983 PolarHBondContact O-N 3.18Å
984	Y	43.3	Very low	59	Low	190 Å²	190	74.4 Å²	74.4	75%	0.745	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-76.6	-19.7	166.6	176.8	-105.6	0	0	0	112.9	E982	E982-Y984 PolarHBondContact O-N 2.89Å; E982-Y984 VanDerWaalsContact O-N 3.17Å
985	S	38.7	Very low	57.8	Low	83 Å²	83	77.1 Å²	77.1	58%	0.58	41%	0.411	S	S	*	.	S	Bend	trans	-110.4	8.4	-164.4	-69.3	0	0	0	0	117.1	E982 N987	E982-S985 PolarHBondContact O-N 3.46Å; S985-N987 PolarHBondContact O-N 3.41Å
986	R	45.1	Very low	56.8	Low	177 Å²	177	77.6 Å²	77.6	67%	0.668	41%	0.408	S	S	*	.			trans	-99.8	42.2	178.2	-69.3	-167.4	-169.7	-160.1	1.6	114.6	P988	R986-P988 VanDerWaalsContact O-CD 3.3Å; R986-P988 WeakPolarHBondContact O-CD 3.4Å
987	N	51.1	Low	55.6	Low	67 Å²	67	84.3 Å²	84.3	36%	0.358	45%	0.45	S	S	.	.			trans	-93.6	103.4	158.7	-175.6	9.6	0	0	0	107.9	S985 C989 G991	S985-N987 PolarHBondContact O-N 3.41Å; N987-C989 PolarHBondContact ND2-O 2.03Å; N987-C989 PolarHBondContact O-N 2.85Å; N987-C989 VanDerWaalsContact OD1-CB 3.31Å; N987-C989 WeakPolarHBondContact OD1-CB 3.49Å; N987-C989 PolarHBondContact OD1-N 3.46Å; N987-C989 VanDerWaalsContact OD1-N 3.07Å; N987-C989 PolarHBondContact OD1-O 2.84Å; N987-G991 PolarHBondContact ND2-O 3.5Å
988	P	54.7	Low	54.3	Low	26 Å²	26	89.7 Å²	89.7	17%	0.169	48%	0.478	C	S	.	.			trans	-67.2	-14.9	177.8	27.7	-33.8	0	0	0	112.4	R986 V1027	R986-P988 VanDerWaalsContact O-CD 3.3Å; R986-P988 WeakPolarHBondContact O-CD 3.4Å; P988-V1027 HydrophobicContact CG-CB 4.27Å; P988-V1027 HydrophobicContact CG-CG1 4.42Å; P988-V1027 HydrophobicContact CG-CG2 4.47Å
989	C	56.5	Low	53	Low	9 Å²	9	90.3 Å²	90.3	6%	0.061	49%	0.493	C	S	.	.	S	Bend	trans	-88.9	140.4	-179.9	-49.2	0	0	0	0	111.3	N987 G991 C1029	N987-C989 PolarHBondContact ND2-O 2.03Å; N987-C989 PolarHBondContact O-N 2.85Å; N987-C989 VanDerWaalsContact OD1-CB 3.31Å; N987-C989 WeakPolarHBondContact OD1-CB 3.49Å; N987-C989 PolarHBondContact OD1-N 3.46Å; N987-C989 VanDerWaalsContact OD1-N 3.07Å; N987-C989 PolarHBondContact OD1-O 2.84Å; C989-G991 WeakPolarHBondContact CB-O 2.96Å; C989-G991 PolarHBondContact O-N 3.3Å; C989-C1029 WeakPolarHBondContact CA-SG 3.31Å; C989-C1029 HydrophobicContact CB-CB 3.64Å; C989-C1029 WeakPolarHBondContact CB-SG 3.45Å; C989-C1029 WeakPolarHBondContact SG-CA 2.98Å; C989-C1029 WeakPolarHBondContact SG-CB 3.44Å; C989-C1029 CovalentContact SG-SG 2.03Å; C989-C1029 PolarHBondContact SG-SG 3.38Å
990	S	52.9	Low	52.1	Low	111 Å²	111	92.5 Å²	92.5	78%	0.776	49%	0.491	S	S	*	.	S	Bend	trans	-64.7	2.4	169.6	-25.8	0	0	0	0	113.8
991	G	55.1	Low	51.9	Low	37 Å²	37	92.6 Å²	92.6	38%	0.381	49%	0.486	S	S	.	.	S	Bend	trans	-158.5	-169.1	-178.8	0	0	0	0	0	110.5	N987 C989	N987-G991 PolarHBondContact ND2-O 3.5Å; C989-G991 WeakPolarHBondContact CB-O 2.96Å; C989-G991 PolarHBondContact O-N 3.3Å
992	Q	59	Low	52.2	Low	161 Å²	161	91.2 Å²	91.2	75%	0.752	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-69.2	136	177.9	-78.6	-170.1	-35.5	0	0	111.7
993	P	61.6	Low	53	Low	27 Å²	27	84.3 Å²	84.3	18%	0.175	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.8	168.7	-22.5	32.3	0	0	0	112.6	L1001 V1027 C1028	P993-L1001 HydrophobicContact CB-CD2 3.6Å; P993-L1001 HydrophobicContact CG-CD2 4.24Å; P993-V1027 HydrophobicContact CB-CG1 3.57Å; P993-V1027 HydrophobicContact CG-CG1 3.81Å; P993-C1028 CarbonylContact C-O 3.54Å; P993-C1028 WeakPolarHBondContact CA-O 3.25Å
994	F	63.8	Low	53.9	Low	60 Å²	60	82.2 Å²	82.2	26%	0.263	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-65.4	137.2	168.7	-179.8	-102.2	0	0	0	110.8	T996 P1012 Y1015 C1028	F994-T996 HydrophobicContact CE1-CG2 3.87Å; F994-P1012 HydrophobicContact CD1-CG 3.44Å; F994-P1012 VanDerWaalsContact CD1-CG 3.44Å; F994-P1012 HydrophobicContact CD2-CG 3.8Å; F994-P1012 HydrophobicContact CE1-CG 3.16Å; F994-P1012 HydrophobicContact CE2-CB 4.42Å; F994-P1012 HydrophobicContact CE2-CG 3.54Å; F994-P1012 HydrophobicContact CG-CG 3.76Å; F994-P1012 HydrophobicContact CZ-CB 4.34Å; F994-P1012 HydrophobicContact CZ-CG 3.22Å; F994-Y1015 HydrophobicContact CB-CD1 3.52Å; F994-Y1015 HydrophobicContact CB-CE1 3.51Å; F994-Y1015 HydrophobicContact CB-CE2 4.5Å; F994-Y1015 HydrophobicContact CB-CG 4.06Å; F994-Y1015 HydrophobicContact CD2-CD2 4.35Å; F994-Y1015 HydrophobicContact CD2-CE1 4.32Å; F994-Y1015 AromaticContact CD2-CE2 3.96Å; F994-Y1015 HydrophobicContact CD2-CE2 3.96Å; F994-Y1015 AromaticContact CD2-CZ 3.93Å; F994-Y1015 HydrophobicContact CG-CD1 4.4Å; F994-Y1015 HydrophobicContact CG-CE1 4.36Å; F994-C1028 HydrophobicContact CB-CB 3.7Å; F994-C1028 HydrophobicContact CD1-CB 4.41Å; F994-C1028 PolarHBondContact N-O 3.44Å
995	R	59.6	Low	54.3	Low	93 Å²	93	78.7 Å²	78.7	35%	0.351	43%	0.433	S	S	.	.			trans	-118.8	131.3	170.4	-70.4	-176.8	177.3	-141.7	-2.2	109	S930 L1001	S930-R995 PolarHBondContact O-NH1 3.07Å; S930-R995 VanDerWaalsContact O-NH1 3.13Å; R995-L1001 HydrophobicContact CG-CD2 4.49Å; R995-L1001 HydrophobicContact CG-CG 4.28Å
996	T	56	Low	55.1	Low	60 Å²	60	79.5 Å²	79.5	37%	0.368	44%	0.444	S	S	.	.			trans	-65.8	165.1	165.7	60.2	0	0	0	0	109.9	F994 D998 G999 E1000	F994-T996 HydrophobicContact CE1-CG2 3.87Å; T996-D998 PolarHBondContact O-N 3.35Å; T996-D998 VanDerWaalsContact O-N 3.1Å; T996-G999 PolarHBondContact O-N 2.94Å; T996-G999 VanDerWaalsContact O-N 3.1Å; T996-E1000 PolarHBondContact N-O 3.25Å; T996-E1000 PolarHBondContact OG1-N 2.87Å; T996-E1000 PolarHBondContact OG1-O 3.32Å
997	T	53.3	Low	55.7	Low	143 Å²	143	74 Å²	74	88%	0.877	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.5	174.5	45.1	0	0	0	0	112.9
998	D	52.2	Low	55.9	Low	141 Å²	141	73.5 Å²	73.5	75%	0.754	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	4	-173.8	-50	-12.4	0	0	0	111.4	T996 E1000	T996-D998 PolarHBondContact O-N 3.35Å; T996-D998 VanDerWaalsContact O-N 3.1Å; D998-E1000 VanDerWaalsContact C-N 3.33Å; D998-E1000 PolarHBondContact O-N 3.35Å
999	G	45.7	Very low	56.3	Low	42 Å²	42	76.8 Å²	76.8	43%	0.433	46%	0.462	S	S	.	.			trans	81	2.8	174.1	0	0	0	0	0	115.4	T996	T996-G999 PolarHBondContact O-N 2.94Å; T996-G999 VanDerWaalsContact O-N 3.1Å
1000	E	46.8	Very low	56.7	Low	115 Å²	115	81.3 Å²	81.3	54%	0.537	49%	0.491	S	S	.	.			trans	-76.2	127.8	173.4	-72.6	-156.6	145.4	0	0	111.5	T996 D998	T996-E1000 PolarHBondContact N-O 3.25Å; T996-E1000 PolarHBondContact OG1-N 2.87Å; T996-E1000 PolarHBondContact OG1-O 3.32Å; D998-E1000 VanDerWaalsContact C-N 3.33Å; D998-E1000 PolarHBondContact O-N 3.35Å
1001	L	52.7	Low	57.3	Low	40 Å²	40	77 Å²	77	21%	0.209	46%	0.461	C	S	.	.			trans	-95.3	2.5	-174.6	-97.3	138.1	0	0	0	113.5	P993 R995 V1027	P993-L1001 HydrophobicContact CB-CD2 3.6Å; P993-L1001 HydrophobicContact CG-CD2 4.24Å; R995-L1001 HydrophobicContact CG-CD2 4.49Å; R995-L1001 HydrophobicContact CG-CG 4.28Å; L1001-V1027 HydrophobicContact CD2-CG1 4.31Å
1002	I	58.4	Low	57.8	Low	88 Å²	88	77.3 Å²	77.3	45%	0.451	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.4	-152.7	-39.7	177.4	0	0	0	110.4	G1026	I1002-G1026 VanDerWaalsContact CA-O 3.3Å; I1002-G1026 WeakPolarHBondContact CA-O 3.47Å
1003	C	62.5	Low	57.7	Low	1 Å²	1	79.2 Å²	79.2	1%	0.007	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.2	161.3	49.6	0	0	0	0	108.9	M1009 C1011 C1017 G1026	C1003-M1009 WeakPolarHBondContact CA-O 3.38Å; C1003-M1009 WeakPolarHBondContact CB-O 3.14Å; C1003-C1011 VanDerWaalsContact CB-SG 3.53Å; C1003-C1017 HydrophobicContact CB-CB 3.71Å; C1003-C1017 WeakPolarHBondContact CB-SG 3.41Å; C1003-C1017 WeakPolarHBondContact SG-CA 3.01Å; C1003-C1017 WeakPolarHBondContact SG-CB 2.99Å; C1003-C1017 CovalentContact SG-SG 2.01Å; C1003-C1017 PolarHBondContact SG-SG 2.8Å; C1003-G1026 PolarHBondContact N-O 3.49Å; C1003-G1026 WeakPolarHBondContact O-CA 3.34Å; C1003-G1026 PolarHBondContact O-N 3.29Å; C1003-G1026 PolarHBondContact SG-O 2.9Å; C1003-G1026 VanDerWaalsContact SG-O 3.36Å
1004	D	63.2	Low	57.6	Low	55 Å²	55	81.6 Å²	81.6	29%	0.294	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-138	107	177.4	-179.7	-4.3	0	0	0	107.7	A1006 A1007 G1008 M1009	D1004-A1006 PolarHBondContact O-N 3.32Å; D1004-A1006 WeakPolarHBondContact OD1-CA 3.32Å; D1004-A1006 VanDerWaalsContact OD1-CB 3.3Å; D1004-A1006 WeakPolarHBondContact OD1-CB 3.23Å; D1004-A1006 PolarHBondContact OD1-N 3.35Å; D1004-A1007 HydrophobicContact CB-CB 3.93Å; D1004-A1007 PolarHBondContact O-N 3.48Å; D1004-A1007 PolarHBondContact OD1-N 3.36Å; D1004-A1007 WeakPolarHBondContact OD2-CB 3.37Å; D1004-G1008 PolarHBondContact O-N 2.82Å; D1004-M1009 PolarHBondContact N-O 3.24Å; D1004-M1009 PolarHBondContact O-N 3.29Å
1005	D	51.8	Low	57.8	Low	117 Å²	117	81.7 Å²	81.7	63%	0.626	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.3	179.5	-71.7	-31.7	0	0	0	111.5
1006	A	54.6	Low	58	Low	99 Å²	99	78.9 Å²	78.9	82%	0.818	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-35.2	176.8	0	0	0	0	0	111.8	D1004 G1008	D1004-A1006 PolarHBondContact O-N 3.32Å; D1004-A1006 WeakPolarHBondContact OD1-CA 3.32Å; D1004-A1006 VanDerWaalsContact OD1-CB 3.3Å; D1004-A1006 WeakPolarHBondContact OD1-CB 3.23Å; D1004-A1006 PolarHBondContact OD1-N 3.35Å; A1006-G1008 VanDerWaalsContact C-N 3.34Å
1007	A	58.8	Low	58.6	Low	62 Å²	62	77.3 Å²	77.3	51%	0.512	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.9	175.6	0	0	0	0	0	113.8	D1004	D1004-A1007 HydrophobicContact CB-CB 3.93Å; D1004-A1007 PolarHBondContact O-N 3.48Å; D1004-A1007 PolarHBondContact OD1-N 3.36Å; D1004-A1007 WeakPolarHBondContact OD2-CB 3.37Å
1008	G	54.3	Low	59.1	Low	56 Å²	56	71.1 Å²	71.1	58%	0.577	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	31.1	-178.1	0	0	0	0	0	113.5	D1004 A1006 P1010	D1004-G1008 PolarHBondContact O-N 2.82Å; A1006-G1008 VanDerWaalsContact C-N 3.34Å; G1008-P1010 VanDerWaalsContact C-CD 3.43Å; G1008-P1010 WeakPolarHBondContact O-CD 3.08Å
1009	M	62.9	Low	59.5	Low	95 Å²	95	67.7 Å²	67.7	47%	0.468	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-100.4	86.6	172.9	-79.4	-157.7	-90	0	0	111.1	C1003 D1004	C1003-M1009 WeakPolarHBondContact CA-O 3.38Å; C1003-M1009 WeakPolarHBondContact CB-O 3.14Å; D1004-M1009 PolarHBondContact N-O 3.24Å; D1004-M1009 PolarHBondContact O-N 3.29Å
1010	P	65.1	Low	59.7	Low	104 Å²	104	67.7 Å²	67.7	68%	0.675	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-80.4	152.8	-179.6	32.8	-37	0	0	0	112.7	G1008	G1008-P1010 VanDerWaalsContact C-CD 3.43Å; G1008-P1010 WeakPolarHBondContact O-CD 3.08Å
1011	C	66.2	Low	59.9	Low	22 Å²	22	67.1 Å²	67.1	15%	0.149	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-64.9	156	169	-62.5	0	0	0	0	112.8	C1003 C1017 C1028	C1003-C1011 VanDerWaalsContact CB-SG 3.53Å; C1011-C1017 VanDerWaalsContact SG-CA 3.6Å; C1011-C1028 WeakPolarHBondContact CA-SG 3.46Å; C1011-C1028 HydrophobicContact CB-CB 3.84Å; C1011-C1028 WeakPolarHBondContact CB-SG 3.47Å; C1011-C1028 WeakPolarHBondContact SG-CA 3.39Å; C1011-C1028 WeakPolarHBondContact SG-CB 3.37Å; C1011-C1028 CovalentContact SG-SG 2.04Å; C1011-C1028 PolarHBondContact SG-SG 3.27Å
1012	P	66.2	Low	59.7	Low	43 Å²	43	72 Å²	72	28%	0.279	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-58.7	157.9	174.9	-17.4	25.6	0	0	0	113.3	F994 T1014 Y1015	F994-P1012 HydrophobicContact CD1-CG 3.44Å; F994-P1012 VanDerWaalsContact CD1-CG 3.44Å; F994-P1012 HydrophobicContact CD2-CG 3.8Å; F994-P1012 HydrophobicContact CE1-CG 3.16Å; F994-P1012 HydrophobicContact CE2-CB 4.42Å; F994-P1012 HydrophobicContact CE2-CG 3.54Å; F994-P1012 HydrophobicContact CG-CG 3.76Å; F994-P1012 HydrophobicContact CZ-CB 4.34Å; F994-P1012 HydrophobicContact CZ-CG 3.22Å; P1012-T1014 PolarHBondContact O-N 2.85Å; P1012-Y1015 HydrophobicContact CB-CD2 4.27Å; P1012-Y1015 HydrophobicContact CG-CD2 4.45Å; P1012-Y1015 PolarHBondContact O-N 3.43Å
1013	K	56.8	Low	59.2	Low	200 Å²	200	71.9 Å²	71.9	87%	0.87	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.4	169.4	-77	179.3	176.4	174.2	0	109.2
1014	T	58.1	Low	58.6	Low	78 Å²	78	78.2 Å²	78.2	48%	0.479	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	4.3	-170.4	74	0	0	0	0	117.1	P1012 G1031	P1012-T1014 PolarHBondContact O-N 2.85Å; T1014-G1031 CarbonylContact O-C 3.52Å; T1014-G1031 WeakPolarHBondContact O-CA 3.45Å; T1014-G1031 PolarHBondContact O-N 2.87Å
1015	Y	67.9	Low	58.4	Low	62 Å²	62	76.2 Å²	76.2	24%	0.243	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.1	173.1	-69.7	-101.8	0	0	0	110.8	F994 P1012 C1029 H1030	F994-Y1015 HydrophobicContact CB-CD1 3.52Å; F994-Y1015 HydrophobicContact CB-CE1 3.51Å; F994-Y1015 HydrophobicContact CB-CE2 4.5Å; F994-Y1015 HydrophobicContact CB-CG 4.06Å; F994-Y1015 HydrophobicContact CD2-CD2 4.35Å; F994-Y1015 HydrophobicContact CD2-CE1 4.32Å; F994-Y1015 AromaticContact CD2-CE2 3.96Å; F994-Y1015 HydrophobicContact CD2-CE2 3.96Å; F994-Y1015 AromaticContact CD2-CZ 3.93Å; F994-Y1015 HydrophobicContact CG-CD1 4.4Å; F994-Y1015 HydrophobicContact CG-CE1 4.36Å; P1012-Y1015 HydrophobicContact CB-CD2 4.27Å; P1012-Y1015 HydrophobicContact CG-CD2 4.45Å; P1012-Y1015 PolarHBondContact O-N 3.43Å; Y1015-C1029 CarbonylContact C-O 3.56Å; Y1015-C1029 VanDerWaalsContact CA-O 3.24Å; Y1015-C1029 WeakPolarHBondContact CA-O 3.25Å; Y1015-C1029 WeakPolarHBondContact CB-O 3.17Å; Y1015-C1029 WeakPolarHBondContact CD1-O 3.49Å; Y1015-H1030 HydrophobicContact CD1-CB 4Å; Y1015-H1030 AromaticContact CD2-ND1 3.99Å; Y1015-H1030 HydrophobicContact CE1-CB 3.53Å; Y1015-H1030 AromaticContact CE1-CG 3.86Å; Y1015-H1030 AromaticContact CE1-ND1 3.43Å; Y1015-H1030 WeakPolarHBondContact CE1-ND1 3.44Å; Y1015-H1030 AromaticContact CE2-ND1 3.4Å; Y1015-H1030 WeakPolarHBondContact CE2-ND1 3.44Å; Y1015-H1030 AromaticContact CZ-CE1 3.98Å; Y1015-H1030 AromaticContact CZ-CG 3.92Å; Y1015-H1030 AromaticContact CZ-ND1 3.1Å; Y1015-H1030 PolarHBondContact OH-ND1 3.4Å
1016	Y	63.6	Low	59	Low	34 Å²	34	70.7 Å²	70.7	13%	0.133	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.3	172.6	71.8	-84.5	0	0	0	110.2	H1018 C1028 C1029 A1073	Y1016-H1018 HydrophobicContact CE2-CB 4.13Å; Y1016-C1028 CarbonylContact O-C 3.53Å; Y1016-C1028 WeakPolarHBondContact O-CA 3.18Å; Y1016-C1029 HydrophobicContact CD1-CB 4.18Å; Y1016-C1029 WeakPolarHBondContact CD1-O 3.44Å; Y1016-C1029 HydrophobicContact CE1-CB 3.62Å; Y1016-C1029 HydrophobicContact CE2-CB 4.17Å; Y1016-C1029 PolarHBondContact N-O 3.1Å; Y1016-C1029 PolarHBondContact O-N 3.5Å; Y1016-A1073 HydrophobicContact CD1-CB 3.72Å; Y1016-A1073 HydrophobicContact CD2-CB 4.44Å; Y1016-A1073 HydrophobicContact CE1-CB 3.88Å; Y1016-A1073 HydrophobicContact CG-CB 4.02Å
1017	C	69.8	Low	59.8	Low	27 Å²	27	67 Å²	67	18%	0.182	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	115.8	178.3	-171.4	0	0	0	0	109.6	C1003 C1011	C1003-C1017 HydrophobicContact CB-CB 3.71Å; C1003-C1017 WeakPolarHBondContact CB-SG 3.41Å; C1003-C1017 WeakPolarHBondContact SG-CA 3.01Å; C1003-C1017 WeakPolarHBondContact SG-CB 2.99Å; C1003-C1017 CovalentContact SG-SG 2.01Å; C1003-C1017 PolarHBondContact SG-SG 2.8Å; C1011-C1017 VanDerWaalsContact SG-CA 3.6Å
1018	H	63	Low	60.5	Low	12 Å²	12	64.3 Å²	64.3	6%	0.056	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102.3	172.6	-172.9	-58.5	0	0	0	108.8	Y1016 G1026 V1027	Y1016-H1018 HydrophobicContact CE2-CB 4.13Å; H1018-G1026 CarbonylContact O-C 3.57Å; H1018-G1026 VanDerWaalsContact O-CA 3.28Å; H1018-G1026 WeakPolarHBondContact O-CA 3.31Å; H1018-V1027 WeakPolarHBondContact CB-O 3.38Å; H1018-V1027 PolarHBondContact N-O 3.24Å; H1018-V1027 PolarHBondContact O-N 2.78Å
1019	T	61.8	Low	61.2	Low	69 Å²	69	61.7 Å²	61.7	42%	0.423	36%	0.357	S	S	.	.			trans	-90	134.5	172.5	50.7	0	0	0	0	110
1020	D	49.3	Very low	61.4	Low	42 Å²	42	60.4 Å²	60.4	23%	0.225	35%	0.35	C	S	.	.			trans	-110.1	148.8	171.1	-155	-18.6	0	0	0	107.8	D1022 L1023	D1020-D1022 PolarHBondContact O-N 3.49Å; D1020-D1022 VanDerWaalsContact O-N 3.16Å; D1020-L1023 HydrophobicContact CB-CB 4.1Å; D1020-L1023 HydrophobicContact CB-CD1 3.68Å; D1020-L1023 HydrophobicContact CB-CG 4.25Å; D1020-L1023 PolarHBondContact O-N 2.96Å; D1020-L1023 VanDerWaalsContact O-N 3.1Å
1021	A	50.3	Low	61	Low	103 Å²	103	55.9 Å²	55.9	85%	0.851	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.6	-173.3	0	0	0	0	0	113
1022	D	49.8	Very low	60.1	Low	142 Å²	142	61.8 Å²	61.8	76%	0.759	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.7	-179.7	-75.1	-21.2	0	0	0	114.1	D1020	D1020-D1022 PolarHBondContact O-N 3.49Å; D1020-D1022 VanDerWaalsContact O-N 3.16Å
1023	L	47.4	Very low	59.5	Low	87 Å²	87	62.5 Å²	62.5	46%	0.455	36%	0.356	S	S	.	.			trans	-97.5	121.8	-177.9	-92.7	162.1	0	0	0	109.7	D1020 G1025 V1027	D1020-L1023 HydrophobicContact CB-CB 4.1Å; D1020-L1023 HydrophobicContact CB-CD1 3.68Å; D1020-L1023 HydrophobicContact CB-CG 4.25Å; D1020-L1023 PolarHBondContact O-N 2.96Å; D1020-L1023 VanDerWaalsContact O-N 3.1Å; L1023-G1025 WeakPolarHBondContact CB-O 3Å; L1023-G1025 PolarHBondContact O-N 3.17Å; L1023-V1027 HydrophobicContact CD1-CG2 4.44Å
1024	S	50.7	Low	60.1	Low	133 Å²	133	56.4 Å²	56.4	93%	0.93	33%	0.333	S	S	*	.	S	Bend	trans	-63.2	4.6	176.9	-29.2	0	0	0	0	114.6
1025	G	57.1	Low	60.7	Low	13 Å²	13	54.4 Å²	54.4	13%	0.134	32%	0.321	C	S	.	.	S	Bend	trans	-177.9	152.3	179.2	0	0	0	0	0	109.6	L1023	L1023-G1025 WeakPolarHBondContact CB-O 3Å; L1023-G1025 PolarHBondContact O-N 3.17Å
1026	G	65.7	Low	61.3	Low	2 Å²	2	51.7 Å²	51.7	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	168.7	-176.3	0	0	0	0	0	114.4	I1002 C1003 H1018	I1002-G1026 VanDerWaalsContact CA-O 3.3Å; I1002-G1026 WeakPolarHBondContact CA-O 3.47Å; C1003-G1026 PolarHBondContact N-O 3.49Å; C1003-G1026 WeakPolarHBondContact O-CA 3.34Å; C1003-G1026 PolarHBondContact O-N 3.29Å; C1003-G1026 PolarHBondContact SG-O 2.9Å; C1003-G1026 VanDerWaalsContact SG-O 3.36Å; H1018-G1026 CarbonylContact O-C 3.57Å; H1018-G1026 VanDerWaalsContact O-CA 3.28Å; H1018-G1026 WeakPolarHBondContact O-CA 3.31Å
1027	V	71.7	Confident	62	Low	20 Å²	20	57.3 Å²	57.3	12%	0.121	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.2	177.4	176.4	0	0	0	0	110.1	P988 P993 L1001 H1018 L1023 C1029	P988-V1027 HydrophobicContact CG-CB 4.27Å; P988-V1027 HydrophobicContact CG-CG1 4.42Å; P988-V1027 HydrophobicContact CG-CG2 4.47Å; P993-V1027 HydrophobicContact CB-CG1 3.57Å; P993-V1027 HydrophobicContact CG-CG1 3.81Å; L1001-V1027 HydrophobicContact CD2-CG1 4.31Å; H1018-V1027 WeakPolarHBondContact CB-O 3.38Å; H1018-V1027 PolarHBondContact N-O 3.24Å; H1018-V1027 PolarHBondContact O-N 2.78Å; L1023-V1027 HydrophobicContact CD1-CG2 4.44Å; V1027-C1029 PolarHBondContact O-N 3.33Å
1028	C	71.7	Confident	62.3	Low	6 Å²	6	59 Å²	59	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	103.4	178.6	-71.2	0	0	0	0	112.5	P993 F994 C1011 Y1016	P993-C1028 CarbonylContact C-O 3.54Å; P993-C1028 WeakPolarHBondContact CA-O 3.25Å; F994-C1028 HydrophobicContact CB-CB 3.7Å; F994-C1028 HydrophobicContact CD1-CB 4.41Å; F994-C1028 PolarHBondContact N-O 3.44Å; C1011-C1028 WeakPolarHBondContact CA-SG 3.46Å; C1011-C1028 HydrophobicContact CB-CB 3.84Å; C1011-C1028 WeakPolarHBondContact CB-SG 3.47Å; C1011-C1028 WeakPolarHBondContact SG-CA 3.39Å; C1011-C1028 WeakPolarHBondContact SG-CB 3.37Å; C1011-C1028 CovalentContact SG-SG 2.04Å; C1011-C1028 PolarHBondContact SG-SG 3.27Å; Y1016-C1028 CarbonylContact O-C 3.53Å; Y1016-C1028 WeakPolarHBondContact O-CA 3.18Å
1029	C	69.4	Low	63.2	Low	1 Å²	1	62.8 Å²	62.8	1%	0.007	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142	179.5	-64.5	0	0	0	0	112.7	C989 Y1015 Y1016 V1027 G1031	C989-C1029 WeakPolarHBondContact CA-SG 3.31Å; C989-C1029 HydrophobicContact CB-CB 3.64Å; C989-C1029 WeakPolarHBondContact CB-SG 3.45Å; C989-C1029 WeakPolarHBondContact SG-CA 2.98Å; C989-C1029 WeakPolarHBondContact SG-CB 3.44Å; C989-C1029 CovalentContact SG-SG 2.03Å; C989-C1029 PolarHBondContact SG-SG 3.38Å; Y1015-C1029 CarbonylContact C-O 3.56Å; Y1015-C1029 VanDerWaalsContact CA-O 3.24Å; Y1015-C1029 WeakPolarHBondContact CA-O 3.25Å; Y1015-C1029 WeakPolarHBondContact CB-O 3.17Å; Y1015-C1029 WeakPolarHBondContact CD1-O 3.49Å; Y1016-C1029 HydrophobicContact CD1-CB 4.18Å; Y1016-C1029 WeakPolarHBondContact CD1-O 3.44Å; Y1016-C1029 HydrophobicContact CE1-CB 3.62Å; Y1016-C1029 HydrophobicContact CE2-CB 4.17Å; Y1016-C1029 PolarHBondContact N-O 3.1Å; Y1016-C1029 PolarHBondContact O-N 3.5Å; V1027-C1029 PolarHBondContact O-N 3.33Å; C1029-G1031 PolarHBondContact O-N 2.88Å
1030	H	67.7	Low	64.1	Low	68 Å²	68	62.6 Å²	62.6	32%	0.315	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.6	-178.2	-164.8	57.3	0	0	0	111.5	Y1015 M1032	Y1015-H1030 HydrophobicContact CD1-CB 4Å; Y1015-H1030 AromaticContact CD2-ND1 3.99Å; Y1015-H1030 HydrophobicContact CE1-CB 3.53Å; Y1015-H1030 AromaticContact CE1-CG 3.86Å; Y1015-H1030 AromaticContact CE1-ND1 3.43Å; Y1015-H1030 WeakPolarHBondContact CE1-ND1 3.44Å; Y1015-H1030 AromaticContact CE2-ND1 3.4Å; Y1015-H1030 WeakPolarHBondContact CE2-ND1 3.44Å; Y1015-H1030 AromaticContact CZ-CE1 3.98Å; Y1015-H1030 AromaticContact CZ-CG 3.92Å; Y1015-H1030 AromaticContact CZ-ND1 3.1Å; Y1015-H1030 PolarHBondContact OH-ND1 3.4Å; H1030-M1032 WeakPolarHBondContact NE2-CB 3.45Å; H1030-M1032 WeakPolarHBondContact NE2-CE 3.32Å; H1030-M1032 WeakPolarHBondContact NE2-CG 3.32Å; H1030-M1032 PolarHBondContact NE2-SD 3.26Å; H1030-M1032 VanDerWaalsContact NE2-SD 3.36Å
1031	G	57.2	Low	65.5	Low	10 Å²	10	64.6 Å²	64.6	10%	0.103	37%	0.369	C	S	.	.			trans	-130.8	79.8	176	0	0	0	0	0	109	T1014 C1029 S1033	T1014-G1031 CarbonylContact O-C 3.52Å; T1014-G1031 WeakPolarHBondContact O-CA 3.45Å; T1014-G1031 PolarHBondContact O-N 2.87Å; C1029-G1031 PolarHBondContact O-N 2.88Å; G1031-S1033 PolarHBondContact O-N 3.14Å
1032	M	47.4	Very low	66.7	Low	145 Å²	145	63.3 Å²	63.3	71%	0.714	35%	0.35	S	S	*	.			trans	-69.3	5.1	-172.4	-131.7	179.4	-153.7	0	0	114.7	H1030	H1030-M1032 WeakPolarHBondContact NE2-CB 3.45Å; H1030-M1032 WeakPolarHBondContact NE2-CE 3.32Å; H1030-M1032 WeakPolarHBondContact NE2-CG 3.32Å; H1030-M1032 PolarHBondContact NE2-SD 3.26Å; H1030-M1032 VanDerWaalsContact NE2-SD 3.36Å
1033	S	53.9	Low	67.7	Low	58 Å²	58	57.8 Å²	57.8	41%	0.406	33%	0.327	S	S	.	.	S	Bend	trans	-149.3	158.6	178.2	68.6	0	0	0	0	111	G1031 Y1038	G1031-S1033 PolarHBondContact O-N 3.14Å; S1033-Y1038 PolarHBondContact N-OH 3.35Å; S1033-Y1038 WeakPolarHBondContact O-CE2 3.46Å; S1033-Y1038 WeakPolarHBondContact OG-CE1 3.29Å; S1033-Y1038 PolarHBondContact OG-OH 2.97Å
1034	D	67.9	Low	68.6	Low	73 Å²	73	60.8 Å²	60.8	39%	0.39	34%	0.341	S	S	.	.			trans	-41.7	116.8	178	179.5	2.4	0	0	0	111.4	C1036 K1037	D1034-C1036 PolarHBondContact O-N 2.81Å; D1034-C1036 WeakPolarHBondContact OD1-CB 3.49Å; D1034-C1036 PolarHBondContact OD1-N 3.4Å; D1034-C1036 PolarHBondContact OD1-SG 3.44Å; D1034-C1036 VanDerWaalsContact OD1-SG 3.35Å; D1034-K1037 HydrophobicContact CB-CB 4.49Å; D1034-K1037 HydrophobicContact CB-CD 3.91Å; D1034-K1037 HydrophobicContact CB-CG 3.91Å; D1034-K1037 WeakPolarHBondContact O-CB 3.47Å; D1034-K1037 PolarHBondContact O-N 3.39Å; D1034-K1037 WeakPolarHBondContact OD2-CE 3.3Å
1035	P	71	Confident	69.4	Low	35 Å²	35	55.6 Å²	55.6	23%	0.227	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-48.4	-35.9	-178.6	-29.9	35.7	0	0	0	112.9	K1037 Y1038 A1073 N1074 F1076	P1035-K1037 PolarHBondContact O-N 3.21Å; P1035-K1037 VanDerWaalsContact O-N 3.15Å; P1035-Y1038 PolarHBondContact O-N 3.13Å; P1035-A1073 HydrophobicContact CB-CB 3.77Å; P1035-A1073 HydrophobicContact CG-CB 4.11Å; P1035-N1074 WeakPolarHBondContact O-CB 3.44Å; P1035-F1076 HydrophobicContact CB-CZ 4.28Å
1036	C	80.4	Confident	69.7	Low	5 Å²	5	63.8 Å²	63.8	3%	0.034	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-73.2	-4.6	-175.5	-44.3	0	0	0	0	113	D1034 F1054 C1086	D1034-C1036 PolarHBondContact O-N 2.81Å; D1034-C1036 WeakPolarHBondContact OD1-CB 3.49Å; D1034-C1036 PolarHBondContact OD1-N 3.4Å; D1034-C1036 PolarHBondContact OD1-SG 3.44Å; D1034-C1036 VanDerWaalsContact OD1-SG 3.35Å; C1036-F1054 HydrophobicContact CB-CB 4.05Å; C1036-F1054 HydrophobicContact CB-CD1 3.69Å; C1036-F1054 HydrophobicContact CB-CE1 4.31Å; C1036-F1054 HydrophobicContact CB-CG 3.98Å; C1036-F1054 VanDerWaalsContact O-CD1 3.26Å; C1036-F1054 WeakPolarHBondContact O-CD1 3.01Å; C1036-C1086 HydrophobicContact CB-CB 3.89Å; C1036-C1086 WeakPolarHBondContact CB-SG 3.29Å; C1036-C1086 WeakPolarHBondContact SG-CA 3.11Å; C1036-C1086 WeakPolarHBondContact SG-CB 3.32Å; C1036-C1086 CovalentContact SG-SG 2.02Å; C1036-C1086 PolarHBondContact SG-SG 2.75Å
1037	K	79.1	Confident	69.5	Low	153 Å²	153	68.3 Å²	68.3	67%	0.665	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-99.8	-12.1	175.9	-63.7	-175.3	-174.4	179.4	0	113.4	D1034 P1035	D1034-K1037 HydrophobicContact CB-CB 4.49Å; D1034-K1037 HydrophobicContact CB-CD 3.91Å; D1034-K1037 HydrophobicContact CB-CG 3.91Å; D1034-K1037 WeakPolarHBondContact O-CB 3.47Å; D1034-K1037 PolarHBondContact O-N 3.39Å; D1034-K1037 WeakPolarHBondContact OD2-CE 3.3Å; P1035-K1037 PolarHBondContact O-N 3.21Å; P1035-K1037 VanDerWaalsContact O-N 3.15Å
1038	Y	77	Confident	69.5	Low	61 Å²	61	74.4 Å²	74.4	24%	0.239	40%	0.402	C	S	.	.	S	Bend	trans	-74.4	145.7	177.2	-65.2	-70	0	0	0	111	S1033 P1035 A1073 N1074	S1033-Y1038 PolarHBondContact N-OH 3.35Å; S1033-Y1038 WeakPolarHBondContact O-CE2 3.46Å; S1033-Y1038 WeakPolarHBondContact OG-CE1 3.29Å; S1033-Y1038 PolarHBondContact OG-OH 2.97Å; P1035-Y1038 PolarHBondContact O-N 3.13Å; Y1038-A1073 HydrophobicContact CD2-CB 4.19Å; Y1038-A1073 HydrophobicContact CE2-CB 4.27Å; Y1038-N1074 PolarHBondContact O-ND2 3.46Å
1039	P	80.1	Confident	69.8	Low	92 Å²	92	76.8 Å²	76.8	60%	0.597	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.9	158.6	168.9	28.7	-33.7	0	0	0	110.5	N1072	P1039-N1072 PolarHBondContact O-ND2 2.03Å; P1039-N1072 PolarHBondContact O-OD1 3.4Å
1040	I	80.7	Confident	70.4	Confident	66 Å²	66	83.1 Å²	83.1	34%	0.338	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-62.4	133.7	170.6	176.6	174.1	0	0	0	111.1	Y1053 F1064	I1040-Y1053 HydrophobicContact CB-CD1 4.4Å; I1040-Y1053 HydrophobicContact CB-CD2 3.91Å; I1040-Y1053 HydrophobicContact CB-CE1 4.49Å; I1040-Y1053 HydrophobicContact CB-CE2 4.01Å; I1040-Y1053 HydrophobicContact CB-CG 4.1Å; I1040-Y1053 HydrophobicContact CD1-CD1 3.75Å; I1040-Y1053 HydrophobicContact CD1-CE1 3.69Å; I1040-Y1053 HydrophobicContact CD1-CG 4.27Å; I1040-Y1053 HydrophobicContact CG1-CD1 4.34Å; I1040-Y1053 HydrophobicContact CG1-CG 4.38Å; I1040-Y1053 HydrophobicContact CG2-CE2 4.27Å; I1040-F1064 HydrophobicContact CD1-CB 3.23Å; I1040-F1064 HydrophobicContact CD1-CD1 3.95Å; I1040-F1064 HydrophobicContact CD1-CD2 3.38Å; I1040-F1064 HydrophobicContact CD1-CE2 4.14Å; I1040-F1064 HydrophobicContact CD1-CG 3.25Å; I1040-F1064 HydrophobicContact CG1-CB 4.42Å; I1040-F1064 HydrophobicContact CG1-CD1 4.42Å; I1040-F1064 HydrophobicContact CG1-CD2 3.72Å; I1040-F1064 HydrophobicContact CG1-CE2 3.97Å; I1040-F1064 HydrophobicContact CG1-CG 3.96Å; I1040-F1064 HydrophobicContact CG1-CZ 4.42Å
1041	E	79.6	Confident	71.4	Confident	84 Å²	84	81.5 Å²	81.5	39%	0.393	43%	0.432	S	S	.	.			trans	-125.4	121	169.3	-82.3	175.8	-141.9	0	0	110.9	F1064 G1071 N1072	E1041-F1064 WeakPolarHBondContact O-CE2 3.44Å; E1041-G1071 WeakPolarHBondContact OE2-CA 3.36Å; E1041-N1072 VanDerWaalsContact CG-ND2 3.34Å; E1041-N1072 WeakPolarHBondContact CG-ND2 3.47Å; E1041-N1072 PolarHBondContact OE1-ND2 2.82Å
1042	V	76.2	Confident	72.7	Confident	76 Å²	76	83.8 Å²	83.8	46%	0.461	44%	0.438	S	S	.	.			trans	-70.5	-32.6	-177.5	171.7	0	0	0	0	111.5	F1064 V1065 Y1066 S1067	V1042-F1064 HydrophobicContact CG2-CD2 4.48Å; V1042-V1065 WeakPolarHBondContact CG1-O 2.98Å; V1042-Y1066 CarbonylContact O-C 3.51Å; V1042-Y1066 WeakPolarHBondContact O-CA 3.45Å; V1042-Y1066 WeakPolarHBondContact O-CD2 3.35Å; V1042-S1067 WeakPolarHBondContact CG1-OG 3.41Å; V1042-S1067 PolarHBondContact O-N 3.26Å; V1042-S1067 PolarHBondContact O-OG 2.78Å
1043	G	70.5	Confident	74.6	Confident	26 Å²	26	78.9 Å²	78.9	27%	0.268	41%	0.411	S	S	.	.			trans	94.1	170.8	-176.5	0	0	0	0	0	113.1	S1067 L1069	G1043-S1067 PolarHBondContact O-OG 2.87Å; G1043-L1069 CarbonylContact C-O 3.45Å; G1043-L1069 WeakPolarHBondContact CA-O 3.48Å
1044	I	66	Low	76.1	Confident	149 Å²	149	78.1 Å²	78.1	76%	0.764	40%	0.401	S	S	*	.	S	Bend	trans	-107.1	-1	-174.7	59.4	168.8	0	0	0	114.4	L1069	I1044-L1069 HydrophobicContact CD1-CD2 4.25Å; I1044-L1069 HydrophobicContact CG1-CD2 4.08Å; I1044-L1069 PolarHBondContact N-O 2.83Å
1045	G	67.4	Low	76.8	Confident	24 Å²	24	76.3 Å²	76.3	25%	0.247	39%	0.391	C	S	.	.	S	Bend	trans	-70.4	-169.8	174.4	0	0	0	0	0	112.8	S1067	G1045-S1067 CarbonylContact C-O 3.5Å; G1045-S1067 WeakPolarHBondContact CA-O 3.25Å; G1045-S1067 VanDerWaalsContact O-CB 3.26Å; G1045-S1067 WeakPolarHBondContact O-CB 3.4Å
1046	M	63.8	Low	76.9	Confident	186 Å²	186	77.6 Å²	77.6	92%	0.916	40%	0.404	S	S	*	.	S	Bend	trans	-123.5	11	178.9	-65.1	-147.8	-78.5	0	0	113.9	S1067	M1046-S1067 PolarHBondContact N-O 3.25Å; M1046-S1067 VanDerWaalsContact N-O 3.12Å
1047	D	62.2	Low	76.2	Confident	97 Å²	97	83.6 Å²	83.6	52%	0.519	44%	0.441	S	S	.	.			trans	-78.1	163.3	175.1	-63	-46.9	0	0	0	111.8	I1049 S1067	D1047-I1049 HydrophobicContact CB-CD1 4.03Å; D1047-I1049 HydrophobicContact CB-CG1 3.76Å; D1047-S1067 PolarHBondContact N-O 3.13Å; D1047-S1067 VanDerWaalsContact O-CA 3.26Å; D1047-S1067 WeakPolarHBondContact O-CA 3.36Å
1048	N	71.5	Confident	75.5	Confident	148 Å²	148	78.7 Å²	78.7	79%	0.791	43%	0.426	S	S	*	.			trans	-119.8	64.4	176.5	-78.1	-45.5	0	0	0	110.6	V1065	N1048-V1065 HydrophobicContact CB-CG1 4.01Å
1049	I	78.3	Confident	75.2	Confident	55 Å²	55	85.7 Å²	85.7	28%	0.282	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.5	-171.9	-49.9	-179.2	0	0	0	110.3	D1047 R1051 Y1066	D1047-I1049 HydrophobicContact CB-CD1 4.03Å; D1047-I1049 HydrophobicContact CB-CG1 3.76Å; I1049-R1051 HydrophobicContact CG2-CG 4.19Å; I1049-R1051 PolarHBondContact O-N 3.05Å; I1049-Y1066 HydrophobicContact CB-CD1 4.49Å; I1049-Y1066 WeakPolarHBondContact CB-O 3.15Å; I1049-Y1066 HydrophobicContact CD1-CD1 4.43Å; I1049-Y1066 PolarHBondContact N-O 3.14Å; I1049-Y1066 PolarHBondContact O-N 2.93Å
1050	K	81.2	Confident	74.6	Confident	135 Å²	135	86.9 Å²	86.9	59%	0.587	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.7	174.6	-173.2	177.3	-178.6	177.1	0	110.4
1051	R	88.5	Confident	74.8	Confident	33 Å²	33	84.1 Å²	84.1	13%	0.125	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	174.3	176	-65.8	-68.5	-174.9	80.9	-0.1	110.2	I1049 S1063 F1064 Y1066 N1075 F1076	I1049-R1051 HydrophobicContact CG2-CG 4.19Å; I1049-R1051 PolarHBondContact O-N 3.05Å; R1051-S1063 CarbonylContact O-C 3.29Å; R1051-S1063 WeakPolarHBondContact O-CA 3.38Å; R1051-S1063 WeakPolarHBondContact O-CB 3.05Å; R1051-F1064 HydrophobicContact CB-CD1 4.05Å; R1051-F1064 HydrophobicContact CB-CE1 3.56Å; R1051-F1064 HydrophobicContact CB-CZ 3.96Å; R1051-F1064 PolarHBondContact N-O 2.83Å; R1051-F1064 PolarHBondContact O-N 3.28Å; R1051-Y1066 HydrophobicContact CG-CD1 4.3Å; R1051-Y1066 HydrophobicContact CG-CG 4.23Å; R1051-N1075 WeakPolarHBondContact CB-OD1 3.02Å; R1051-N1075 WeakPolarHBondContact CD-OD1 3.2Å; R1051-N1075 WeakPolarHBondContact CG-OD1 3.42Å; R1051-N1075 PolarHBondContact NH1-OD1 2.83Å; R1051-F1076 CarbonylContact C-O 3.57Å; R1051-F1076 WeakPolarHBondContact CA-O 3.26Å
1052	W	83.6	Confident	74.8	Confident	59 Å²	59	82.9 Å²	82.9	22%	0.223	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.8	-179.1	-63	82.2	0	0	0	110.2	L1062 N1075 F1076 T1078 Y1079 C1082	W1052-L1062 CarbonylContact C-O 3.31Å; W1052-L1062 VanDerWaalsContact CA-O 3.29Å; W1052-L1062 WeakPolarHBondContact CA-O 3.31Å; W1052-N1075 CarbonylContact O-C 3.45Å; W1052-F1076 HydrophobicContact CB-CB 4.31Å; W1052-F1076 PolarHBondContact N-O 3.36Å; W1052-F1076 VanDerWaalsContact O-CD2 3.3Å; W1052-F1076 WeakPolarHBondContact O-CD2 3.38Å; W1052-F1076 PolarHBondContact O-N 3.44Å; W1052-T1078 VanDerWaalsContact CD1-C 3.48Å; W1052-Y1079 HydrophobicContact CD2-CD2 4.32Å; W1052-Y1079 AromaticContact CE3-CD2 3.61Å; W1052-Y1079 HydrophobicContact CE3-CD2 3.61Å; W1052-Y1079 HydrophobicContact CE3-CG 4.26Å; W1052-Y1079 HydrophobicContact CH2-CD2 4.15Å; W1052-Y1079 HydrophobicContact CH2-CG 4.42Å; W1052-Y1079 AromaticContact CZ3-CD2 3.51Å; W1052-Y1079 HydrophobicContact CZ3-CD2 3.51Å; W1052-Y1079 HydrophobicContact CZ3-CE2 4.37Å; W1052-Y1079 HydrophobicContact CZ3-CG 4.18Å; W1052-C1082 HydrophobicContact CB-CB 4.23Å
1053	Y	88.9	Confident	75.3	Confident	42 Å²	42	82 Å²	82	17%	0.165	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.1	175.1	79.8	-78.1	0	0	0	109.7	I1040 D1055 C1061 L1062 F1064 N1074	I1040-Y1053 HydrophobicContact CB-CD1 4.4Å; I1040-Y1053 HydrophobicContact CB-CD2 3.91Å; I1040-Y1053 HydrophobicContact CB-CE1 4.49Å; I1040-Y1053 HydrophobicContact CB-CE2 4.01Å; I1040-Y1053 HydrophobicContact CB-CG 4.1Å; I1040-Y1053 HydrophobicContact CD1-CD1 3.75Å; I1040-Y1053 HydrophobicContact CD1-CE1 3.69Å; I1040-Y1053 HydrophobicContact CD1-CG 4.27Å; I1040-Y1053 HydrophobicContact CG1-CD1 4.34Å; I1040-Y1053 HydrophobicContact CG1-CG 4.38Å; I1040-Y1053 HydrophobicContact CG2-CE2 4.27Å; Y1053-D1055 HydrophobicContact CE2-CB 3.81Å; Y1053-C1061 CarbonylContact O-C 3.44Å; Y1053-C1061 VanDerWaalsContact O-CA 3.26Å; Y1053-C1061 WeakPolarHBondContact O-CA 3Å; Y1053-L1062 HydrophobicContact CD1-CB 4.22Å; Y1053-L1062 VanDerWaalsContact CD1-O 3.26Å; Y1053-L1062 WeakPolarHBondContact CD1-O 3.36Å; Y1053-L1062 HydrophobicContact CE1-CB 3.66Å; Y1053-L1062 PolarHBondContact N-O 2.81Å; Y1053-L1062 PolarHBondContact O-N 3.36Å; Y1053-F1064 HydrophobicContact CD1-CB 4.24Å; Y1053-F1064 AromaticContact CD1-CD1 3.79Å; Y1053-F1064 HydrophobicContact CD1-CD1 3.79Å; Y1053-F1064 HydrophobicContact CD1-CG 4.28Å; Y1053-F1064 HydrophobicContact CE1-CB 4.43Å; Y1053-F1064 HydrophobicContact CG-CD1 4.38Å; Y1053-N1074 WeakPolarHBondContact CB-O 3.24Å
1054	F	84.7	Confident	76	Confident	42 Å²	42	81.7 Å²	81.7	18%	0.184	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.1	173.6	-176.7	-96.2	0	0	0	110.1	C1036 A1056 R1059 N1074 C1086	C1036-F1054 HydrophobicContact CB-CB 4.05Å; C1036-F1054 HydrophobicContact CB-CD1 3.69Å; C1036-F1054 HydrophobicContact CB-CE1 4.31Å; C1036-F1054 HydrophobicContact CB-CG 3.98Å; C1036-F1054 VanDerWaalsContact O-CD1 3.26Å; C1036-F1054 WeakPolarHBondContact O-CD1 3.01Å; F1054-A1056 HydrophobicContact CD1-CB 4.42Å; F1054-A1056 HydrophobicContact CE1-CB 4.18Å; F1054-A1056 PolarHBondContact O-N 3.15Å; F1054-R1059 HydrophobicContact CZ-CB 4.16Å; F1054-R1059 HydrophobicContact CZ-CG 4.46Å; F1054-N1074 PolarHBondContact N-OD1 2.87Å; F1054-N1074 PolarHBondContact O-ND2 3.39Å; F1054-C1086 HydrophobicContact CB-CB 4.44Å; F1054-C1086 VanDerWaalsContact CB-SG 3.56Å; F1054-C1086 HydrophobicContact CD2-CB 3.89Å; F1054-C1086 HydrophobicContact CE2-CB 4.35Å; F1054-C1086 HydrophobicContact CG-CB 4.18Å
1055	D	83.4	Confident	76.8	Confident	35 Å²	35	78.2 Å²	78.2	19%	0.187	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.3	169.3	170.2	28	0	0	0	109.2	Y1053 T1057 S1058 R1059 Q1060 L1062	Y1053-D1055 HydrophobicContact CE2-CB 3.81Å; D1055-T1057 PolarHBondContact O-N 2.03Å; D1055-T1057 VanDerWaalsContact O-N 3.1Å; D1055-T1057 WeakPolarHBondContact OD1-CB 3.48Å; D1055-T1057 PolarHBondContact OD1-N 3.12Å; D1055-T1057 PolarHBondContact OD1-OG1 3.49Å; D1055-S1058 WeakPolarHBondContact CB-OG 3.39Å; D1055-S1058 VanDerWaalsContact CG-OG 3.31Å; D1055-S1058 PolarHBondContact O-N 2.99Å; D1055-S1058 VanDerWaalsContact OD2-CB 3.22Å; D1055-S1058 WeakPolarHBondContact OD2-CB 3.01Å; D1055-S1058 PolarHBondContact OD2-N 2.75Å; D1055-S1058 VanDerWaalsContact OD2-N 3.07Å; D1055-S1058 PolarHBondContact OD2-OG 2.81Å; D1055-R1059 VanDerWaalsContact O-CA 3.27Å; D1055-R1059 WeakPolarHBondContact O-CA 3.47Å; D1055-R1059 PolarHBondContact O-N 3.34Å; D1055-Q1060 PolarHBondContact N-O 3.17Å; D1055-L1062 HydrophobicContact CB-CD1 3.95Å; D1055-L1062 HydrophobicContact CB-CG 4.47Å
1056	A	71.4	Confident	77.3	Confident	61 Å²	61	77.3 Å²	77.3	50%	0.504	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.8	178.3	0	0	0	0	0	113.6	F1054	F1054-A1056 HydrophobicContact CD1-CB 4.42Å; F1054-A1056 HydrophobicContact CE1-CB 4.18Å; F1054-A1056 PolarHBondContact O-N 3.15Å
1057	T	66	Low	77.8	Confident	131 Å²	131	69 Å²	69	80%	0.804	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-51.8	179.5	-39.5	0	0	0	0	111.3	D1055	D1055-T1057 PolarHBondContact O-N 2.03Å; D1055-T1057 VanDerWaalsContact O-N 3.1Å; D1055-T1057 WeakPolarHBondContact OD1-CB 3.48Å; D1055-T1057 PolarHBondContact OD1-N 3.12Å; D1055-T1057 PolarHBondContact OD1-OG1 3.49Å
1058	S	64.6	Low	78.1	Confident	51 Å²	51	64.8 Å²	64.8	36%	0.357	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.6	177	59.9	0	0	0	0	113.7	D1055 Q1060	D1055-S1058 WeakPolarHBondContact CB-OG 3.39Å; D1055-S1058 VanDerWaalsContact CG-OG 3.31Å; D1055-S1058 PolarHBondContact O-N 2.99Å; D1055-S1058 VanDerWaalsContact OD2-CB 3.22Å; D1055-S1058 WeakPolarHBondContact OD2-CB 3.01Å; D1055-S1058 PolarHBondContact OD2-N 2.75Å; D1055-S1058 VanDerWaalsContact OD2-N 3.07Å; D1055-S1058 PolarHBondContact OD2-OG 2.81Å; S1058-Q1060 PolarHBondContact O-N 3.44Å; S1058-Q1060 PolarHBondContact OG-N 3.08Å
1059	R	70.2	Confident	77.8	Confident	208 Å²	208	61 Å²	61	79%	0.785	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	32.9	-168.8	-59	-176.7	174.8	172.1	-2.3	112.7	F1054 D1055	F1054-R1059 HydrophobicContact CZ-CB 4.16Å; F1054-R1059 HydrophobicContact CZ-CG 4.46Å; D1055-R1059 VanDerWaalsContact O-CA 3.27Å; D1055-R1059 WeakPolarHBondContact O-CA 3.47Å; D1055-R1059 PolarHBondContact O-N 3.34Å
1060	Q	68.7	Low	77.3	Confident	116 Å²	116	59.1 Å²	59.1	54%	0.542	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.3	178.5	-66.5	-174.4	-1.7	0	0	111	D1055 S1058 L1062	D1055-Q1060 PolarHBondContact N-O 3.17Å; S1058-Q1060 PolarHBondContact O-N 3.44Å; S1058-Q1060 PolarHBondContact OG-N 3.08Å; Q1060-L1062 HydrophobicContact CB-CD2 4.29Å
1061	C	83.5	Confident	76.7	Confident	8 Å²	8	53.1 Å²	53.1	5%	0.054	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.9	168.2	-72.5	0	0	0	0	109.2	Y1053 Y1079 C1082 T1083	Y1053-C1061 CarbonylContact O-C 3.44Å; Y1053-C1061 VanDerWaalsContact O-CA 3.26Å; Y1053-C1061 WeakPolarHBondContact O-CA 3Å; C1061-Y1079 HydrophobicContact CB-CD2 3.69Å; C1061-Y1079 HydrophobicContact CB-CE2 3.67Å; C1061-Y1079 WeakPolarHBondContact O-CE2 3.5Å; C1061-C1082 HydrophobicContact CB-CB 3.71Å; C1061-C1082 WeakPolarHBondContact CB-SG 3.42Å; C1061-C1082 WeakPolarHBondContact SG-CB 3.3Å; C1061-C1082 CovalentContact SG-SG 2.03Å; C1061-C1082 PolarHBondContact SG-SG 2.93Å; C1061-T1083 HydrophobicContact CB-CG2 4.29Å; C1061-T1083 PolarHBondContact SG-N 2.82Å
1062	L	81.2	Confident	76.1	Confident	59 Å²	59	52.2 Å²	52.2	31%	0.309	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	148.3	-179.1	-60.1	178.5	0	0	0	110.1	W1052 Y1053 D1055 Q1060	W1052-L1062 CarbonylContact C-O 3.31Å; W1052-L1062 VanDerWaalsContact CA-O 3.29Å; W1052-L1062 WeakPolarHBondContact CA-O 3.31Å; Y1053-L1062 HydrophobicContact CD1-CB 4.22Å; Y1053-L1062 VanDerWaalsContact CD1-O 3.26Å; Y1053-L1062 WeakPolarHBondContact CD1-O 3.36Å; Y1053-L1062 HydrophobicContact CE1-CB 3.66Å; Y1053-L1062 PolarHBondContact N-O 2.81Å; Y1053-L1062 PolarHBondContact O-N 3.36Å; D1055-L1062 HydrophobicContact CB-CD1 3.95Å; D1055-L1062 HydrophobicContact CB-CG 4.47Å; Q1060-L1062 HydrophobicContact CB-CD2 4.29Å
1063	S	85.9	Confident	75.8	Confident	57 Å²	57	49.9 Å²	49.9	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.6	176.9	66.7	0	0	0	0	112.2	R1051	R1051-S1063 CarbonylContact O-C 3.29Å; R1051-S1063 WeakPolarHBondContact O-CA 3.38Å; R1051-S1063 WeakPolarHBondContact O-CB 3.05Å
1064	F	85.7	Confident	75.7	Confident	19 Å²	19	47.9 Å²	47.9	8%	0.083	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.9	172.9	77	-72.6	0	0	0	111.9	I1040 E1041 V1042 R1051 Y1053 Y1066 N1075	I1040-F1064 HydrophobicContact CD1-CB 3.23Å; I1040-F1064 HydrophobicContact CD1-CD1 3.95Å; I1040-F1064 HydrophobicContact CD1-CD2 3.38Å; I1040-F1064 HydrophobicContact CD1-CE2 4.14Å; I1040-F1064 HydrophobicContact CD1-CG 3.25Å; I1040-F1064 HydrophobicContact CG1-CB 4.42Å; I1040-F1064 HydrophobicContact CG1-CD1 4.42Å; I1040-F1064 HydrophobicContact CG1-CD2 3.72Å; I1040-F1064 HydrophobicContact CG1-CE2 3.97Å; I1040-F1064 HydrophobicContact CG1-CG 3.96Å; I1040-F1064 HydrophobicContact CG1-CZ 4.42Å; E1041-F1064 WeakPolarHBondContact O-CE2 3.44Å; V1042-F1064 HydrophobicContact CG2-CD2 4.48Å; R1051-F1064 HydrophobicContact CB-CD1 4.05Å; R1051-F1064 HydrophobicContact CB-CE1 3.56Å; R1051-F1064 HydrophobicContact CB-CZ 3.96Å; R1051-F1064 PolarHBondContact N-O 2.83Å; R1051-F1064 PolarHBondContact O-N 3.28Å; Y1053-F1064 HydrophobicContact CD1-CB 4.24Å; Y1053-F1064 AromaticContact CD1-CD1 3.79Å; Y1053-F1064 HydrophobicContact CD1-CD1 3.79Å; Y1053-F1064 HydrophobicContact CD1-CG 4.28Å; Y1053-F1064 HydrophobicContact CE1-CB 4.43Å; Y1053-F1064 HydrophobicContact CG-CD1 4.38Å; F1064-Y1066 HydrophobicContact CE2-CD2 4.3Å; F1064-N1075 HydrophobicContact CE1-CB 4.45Å; F1064-N1075 HydrophobicContact CZ-CB 4.07Å
1065	V	82.1	Confident	75.7	Confident	77 Å²	77	47.1 Å²	47.1	47%	0.467	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119	175.2	-175.1	0	0	0	0	108.2	V1042 N1048	V1042-V1065 WeakPolarHBondContact CG1-O 2.98Å; N1048-V1065 HydrophobicContact CB-CG1 4.01Å
1066	Y	78	Confident	75.6	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.7	176.7	175.1	-113.8	0	0	0	109.7	V1042 I1049 R1051 F1064 G1068 L1069 G1070 N1075	V1042-Y1066 CarbonylContact O-C 3.51Å; V1042-Y1066 WeakPolarHBondContact O-CA 3.45Å; V1042-Y1066 WeakPolarHBondContact O-CD2 3.35Å; I1049-Y1066 HydrophobicContact CB-CD1 4.49Å; I1049-Y1066 WeakPolarHBondContact CB-O 3.15Å; I1049-Y1066 HydrophobicContact CD1-CD1 4.43Å; I1049-Y1066 PolarHBondContact N-O 3.14Å; I1049-Y1066 PolarHBondContact O-N 2.93Å; R1051-Y1066 HydrophobicContact CG-CD1 4.3Å; R1051-Y1066 HydrophobicContact CG-CG 4.23Å; F1064-Y1066 HydrophobicContact CE2-CD2 4.3Å; Y1066-G1068 VanDerWaalsContact CE1-CA 3.4Å; Y1066-G1068 WeakPolarHBondContact CE1-O 3.16Å; Y1066-G1068 PolarHBondContact O-N 2.75Å; Y1066-G1068 VanDerWaalsContact O-N 3.11Å; Y1066-G1068 PolarHBondContact OH-O 2.84Å; Y1066-L1069 VanDerWaalsContact OH-C 3.25Å; Y1066-G1070 WeakPolarHBondContact CE2-O 3.4Å; Y1066-G1070 VanDerWaalsContact CZ-O 3.26Å; Y1066-G1070 PolarHBondContact OH-N 2.83Å; Y1066-G1070 PolarHBondContact OH-O 2.76Å; Y1066-N1075 WeakPolarHBondContact CD2-ND2 3.24Å; Y1066-N1075 WeakPolarHBondContact CE2-ND2 3.19Å
1067	S	73.8	Confident	75.5	Confident	13 Å²	13	47.6 Å²	47.6	9%	0.091	26%	0.258	C	S	.	.			trans	-73.6	1.1	-172.6	-35.4	0	0	0	0	114.7	V1042 G1043 G1045 M1046 D1047 L1069	V1042-S1067 WeakPolarHBondContact CG1-OG 3.41Å; V1042-S1067 PolarHBondContact O-N 3.26Å; V1042-S1067 PolarHBondContact O-OG 2.78Å; G1043-S1067 PolarHBondContact O-OG 2.87Å; G1045-S1067 CarbonylContact C-O 3.5Å; G1045-S1067 WeakPolarHBondContact CA-O 3.25Å; G1045-S1067 VanDerWaalsContact O-CB 3.26Å; G1045-S1067 WeakPolarHBondContact O-CB 3.4Å; M1046-S1067 PolarHBondContact N-O 3.25Å; M1046-S1067 VanDerWaalsContact N-O 3.12Å; D1047-S1067 PolarHBondContact N-O 3.13Å; D1047-S1067 VanDerWaalsContact O-CA 3.26Å; D1047-S1067 WeakPolarHBondContact O-CA 3.36Å; S1067-L1069 VanDerWaalsContact C-N 3.3Å; S1067-L1069 PolarHBondContact O-N 3.32Å
1068	G	68.3	Low	75.9	Confident	7 Å²	7	44.1 Å²	44.1	7%	0.072	24%	0.237	C	C	.	.	S	Bend	trans	89.7	-25.6	-177.7	0	0	0	0	0	114.7	Y1066	Y1066-G1068 VanDerWaalsContact CE1-CA 3.4Å; Y1066-G1068 WeakPolarHBondContact CE1-O 3.16Å; Y1066-G1068 PolarHBondContact O-N 2.75Å; Y1066-G1068 VanDerWaalsContact O-N 3.11Å; Y1066-G1068 PolarHBondContact OH-O 2.84Å
1069	L	65.2	Low	76.1	Confident	68 Å²	68	47.4 Å²	47.4	36%	0.356	24%	0.242	S	C	.	.	S	Bend	trans	-130	129	-174.6	-145.9	106.1	0	0	0	113.2	G1043 I1044 Y1066 S1067	G1043-L1069 CarbonylContact C-O 3.45Å; G1043-L1069 WeakPolarHBondContact CA-O 3.48Å; I1044-L1069 HydrophobicContact CD1-CD2 4.25Å; I1044-L1069 HydrophobicContact CG1-CD2 4.08Å; I1044-L1069 PolarHBondContact N-O 2.83Å; Y1066-L1069 VanDerWaalsContact OH-C 3.25Å; S1067-L1069 VanDerWaalsContact C-N 3.3Å; S1067-L1069 PolarHBondContact O-N 3.32Å
1070	G	68.4	Low	75.5	Confident	17 Å²	17	40.4 Å²	40.4	18%	0.175	23%	0.225	C	C	.	.			trans	85.9	-144.1	175.1	0	0	0	0	0	114.3	Y1066	Y1066-G1070 WeakPolarHBondContact CE2-O 3.4Å; Y1066-G1070 VanDerWaalsContact CZ-O 3.26Å; Y1066-G1070 PolarHBondContact OH-N 2.83Å; Y1066-G1070 PolarHBondContact OH-O 2.76Å
1071	G	68.5	Low	75.3	Confident	9 Å²	9	38 Å²	38	9%	0.093	21%	0.213	C	C	.	.			trans	80.6	-172.2	-177.3	0	0	0	0	0	113.8	E1041	E1041-G1071 WeakPolarHBondContact OE2-CA 3.36Å
1072	N	77.1	Confident	74.8	Confident	13 Å²	13	37.6 Å²	37.6	7%	0.07	21%	0.211	C	C	.	.			trans	-123.5	-178.6	-176.3	66.4	45.8	0	0	0	112	P1039 E1041 N1074 N1075	P1039-N1072 PolarHBondContact O-ND2 2.03Å; P1039-N1072 PolarHBondContact O-OD1 3.4Å; E1041-N1072 VanDerWaalsContact CG-ND2 3.34Å; E1041-N1072 WeakPolarHBondContact CG-ND2 3.47Å; E1041-N1072 PolarHBondContact OE1-ND2 2.82Å; N1072-N1074 PolarHBondContact O-N 3.24Å; N1072-N1074 PolarHBondContact OD1-N 2.81Å; N1072-N1075 WeakPolarHBondContact O-CB 3.49Å
1073	A	76.5	Confident	74	Confident	10 Å²	10	36.1 Å²	36.1	8%	0.083	21%	0.205	C	C	.	.	S	Bend	trans	-69.4	-11.1	-172	0	0	0	0	0	114.7	Y1016 P1035 Y1038 N1075	Y1016-A1073 HydrophobicContact CD1-CB 3.72Å; Y1016-A1073 HydrophobicContact CD2-CB 4.44Å; Y1016-A1073 HydrophobicContact CE1-CB 3.88Å; Y1016-A1073 HydrophobicContact CG-CB 4.02Å; P1035-A1073 HydrophobicContact CB-CB 3.77Å; P1035-A1073 HydrophobicContact CG-CB 4.11Å; Y1038-A1073 HydrophobicContact CD2-CB 4.19Å; Y1038-A1073 HydrophobicContact CE2-CB 4.27Å; A1073-N1075 PolarHBondContact O-N 2.99Å
1074	N	86.7	Confident	72.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.207	C	C	.	.			trans	-81	52.4	174.5	-155.6	5.1	0	0	0	111	P1035 Y1038 Y1053 F1054 N1072 F1076	P1035-N1074 WeakPolarHBondContact O-CB 3.44Å; Y1038-N1074 PolarHBondContact O-ND2 3.46Å; Y1053-N1074 WeakPolarHBondContact CB-O 3.24Å; F1054-N1074 PolarHBondContact N-OD1 2.87Å; F1054-N1074 PolarHBondContact O-ND2 3.39Å; N1072-N1074 PolarHBondContact O-N 3.24Å; N1072-N1074 PolarHBondContact OD1-N 2.81Å; N1074-F1076 WeakPolarHBondContact OD1-CE2 3.35Å
1075	N	83.9	Confident	71.5	Confident	26 Å²	26	43.4 Å²	43.4	14%	0.139	23%	0.228	C	C	.	.			trans	-145.7	97.7	-171.8	-179.7	-8.4	0	0	0	108.6	R1051 W1052 F1064 Y1066 N1072 A1073	R1051-N1075 WeakPolarHBondContact CB-OD1 3.02Å; R1051-N1075 WeakPolarHBondContact CD-OD1 3.2Å; R1051-N1075 WeakPolarHBondContact CG-OD1 3.42Å; R1051-N1075 PolarHBondContact NH1-OD1 2.83Å; W1052-N1075 CarbonylContact O-C 3.45Å; F1064-N1075 HydrophobicContact CE1-CB 4.45Å; F1064-N1075 HydrophobicContact CZ-CB 4.07Å; Y1066-N1075 WeakPolarHBondContact CD2-ND2 3.24Å; Y1066-N1075 WeakPolarHBondContact CE2-ND2 3.19Å; N1072-N1075 WeakPolarHBondContact O-CB 3.49Å; A1073-N1075 PolarHBondContact O-N 2.99Å
1076	F	81.2	Confident	71.2	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.018	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-109.5	142.9	-175.3	-53.5	-78.4	0	0	0	110.2	P1035 R1051 W1052 N1074 T1078 E1081 C1082 R1085 C1086	P1035-F1076 HydrophobicContact CB-CZ 4.28Å; R1051-F1076 CarbonylContact C-O 3.57Å; R1051-F1076 WeakPolarHBondContact CA-O 3.26Å; W1052-F1076 HydrophobicContact CB-CB 4.31Å; W1052-F1076 PolarHBondContact N-O 3.36Å; W1052-F1076 VanDerWaalsContact O-CD2 3.3Å; W1052-F1076 WeakPolarHBondContact O-CD2 3.38Å; W1052-F1076 PolarHBondContact O-N 3.44Å; N1074-F1076 WeakPolarHBondContact OD1-CE2 3.35Å; F1076-T1078 VanDerWaalsContact C-N 3.35Å; F1076-E1081 HydrophobicContact CB-CB 4.37Å; F1076-E1081 HydrophobicContact CB-CG 4.35Å; F1076-E1081 HydrophobicContact CD1-CG 4.06Å; F1076-C1082 HydrophobicContact CB-CB 3.77Å; F1076-C1082 HydrophobicContact CD1-CB 4.44Å; F1076-C1082 HydrophobicContact CD2-CB 3.34Å; F1076-C1082 WeakPolarHBondContact CD2-SG 3.06Å; F1076-C1082 HydrophobicContact CE2-CB 4Å; F1076-C1082 VanDerWaalsContact CG-CA 3.5Å; F1076-C1082 HydrophobicContact CG-CB 3.59Å; F1076-R1085 HydrophobicContact CD1-CB 4.43Å; F1076-R1085 HydrophobicContact CE1-CB 3.86Å; F1076-R1085 HydrophobicContact CE1-CG 4.05Å; F1076-C1086 VanDerWaalsContact CZ-SG 3.58Å
1077	M	70.4	Confident	70	Confident	102 Å²	102	49.1 Å²	49.1	50%	0.502	25%	0.25	S	C	.	.	S	Bend	trans	-67.9	-39	179.7	-170	68.6	74.2	0	0	111.2	E1081	M1077-E1081 VanDerWaalsContact CB-OE2 3.32Å; M1077-E1081 WeakPolarHBondContact CB-OE2 3.32Å; M1077-E1081 PolarHBondContact N-OE2 2.97Å
1078	T	74	Confident	68.4	Low	58 Å²	58	55.8 Å²	55.8	36%	0.356	28%	0.281	S	S	.	.	S	Bend	trans	-127.5	151.6	-175.8	67.3	0	0	0	0	112	W1052 F1076 S1080 E1081 C1082	W1052-T1078 VanDerWaalsContact CD1-C 3.48Å; F1076-T1078 VanDerWaalsContact C-N 3.35Å; T1078-S1080 WeakPolarHBondContact CB-OG 3.09Å; T1078-S1080 PolarHBondContact O-N 2.71Å; T1078-S1080 PolarHBondContact OG1-OG 2.78Å; T1078-E1081 WeakPolarHBondContact O-CB 3.38Å; T1078-E1081 PolarHBondContact O-N 3.01Å; T1078-E1081 VanDerWaalsContact O-N 3.15Å; T1078-E1081 WeakPolarHBondContact OG1-CB 3.27Å; T1078-E1081 PolarHBondContact OG1-N 3.35Å; T1078-C1082 PolarHBondContact O-N 2.86Å
1079	Y	69	Low	66.6	Low	120 Å²	120	60.8 Å²	60.8	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-54.9	-42.2	171.2	176	-99.5	0	0	0	111.3	W1052 C1061 E1081 C1082 T1083	W1052-Y1079 HydrophobicContact CD2-CD2 4.32Å; W1052-Y1079 AromaticContact CE3-CD2 3.61Å; W1052-Y1079 HydrophobicContact CE3-CD2 3.61Å; W1052-Y1079 HydrophobicContact CE3-CG 4.26Å; W1052-Y1079 HydrophobicContact CH2-CD2 4.15Å; W1052-Y1079 HydrophobicContact CH2-CG 4.42Å; W1052-Y1079 AromaticContact CZ3-CD2 3.51Å; W1052-Y1079 HydrophobicContact CZ3-CD2 3.51Å; W1052-Y1079 HydrophobicContact CZ3-CE2 4.37Å; W1052-Y1079 HydrophobicContact CZ3-CG 4.18Å; C1061-Y1079 HydrophobicContact CB-CD2 3.69Å; C1061-Y1079 HydrophobicContact CB-CE2 3.67Å; C1061-Y1079 WeakPolarHBondContact O-CE2 3.5Å; Y1079-E1081 PolarHBondContact O-N 2.9Å; Y1079-C1082 PolarHBondContact O-N 2.77Å; Y1079-T1083 HydrophobicContact CD1-CG2 4.22Å; Y1079-T1083 HydrophobicContact CD2-CG2 4.5Å; Y1079-T1083 HydrophobicContact CE1-CG2 3.76Å; Y1079-T1083 HydrophobicContact CE2-CG2 4.09Å; Y1079-T1083 WeakPolarHBondContact O-CG2 3.33Å; Y1079-T1083 PolarHBondContact O-N 2.82Å; Y1079-T1083 PolarHBondContact O-OG1 3.39Å
1080	S	57.6	Low	65	Low	61 Å²	61	61.2 Å²	61.2	43%	0.427	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-46.2	175.4	37	0	0	0	0	112.3	T1078 C1082 T1083 I1084	T1078-S1080 WeakPolarHBondContact CB-OG 3.09Å; T1078-S1080 PolarHBondContact O-N 2.71Å; T1078-S1080 PolarHBondContact OG1-OG 2.78Å; S1080-C1082 PolarHBondContact O-N 3.01Å; S1080-T1083 WeakPolarHBondContact CA-OG1 3.4Å; S1080-T1083 PolarHBondContact O-N 3.47Å; S1080-T1083 PolarHBondContact O-OG1 3.45Å; S1080-I1084 VanDerWaalsContact O-CB 3.28Å; S1080-I1084 WeakPolarHBondContact O-CB 3.22Å; S1080-I1084 WeakPolarHBondContact O-CD1 3.18Å; S1080-I1084 WeakPolarHBondContact O-CG1 3.34Å; S1080-I1084 PolarHBondContact O-N 2.85Å
1081	E	63.5	Low	63.4	Low	64 Å²	64	64.8 Å²	64.8	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-46.5	177.3	-175.9	-166.3	172.2	0	0	111.3	F1076 M1077 T1078 Y1079 T1083 I1084 R1085	F1076-E1081 HydrophobicContact CB-CB 4.37Å; F1076-E1081 HydrophobicContact CB-CG 4.35Å; F1076-E1081 HydrophobicContact CD1-CG 4.06Å; M1077-E1081 VanDerWaalsContact CB-OE2 3.32Å; M1077-E1081 WeakPolarHBondContact CB-OE2 3.32Å; M1077-E1081 PolarHBondContact N-OE2 2.97Å; T1078-E1081 WeakPolarHBondContact O-CB 3.38Å; T1078-E1081 PolarHBondContact O-N 3.01Å; T1078-E1081 VanDerWaalsContact O-N 3.15Å; T1078-E1081 WeakPolarHBondContact OG1-CB 3.27Å; T1078-E1081 PolarHBondContact OG1-N 3.35Å; Y1079-E1081 PolarHBondContact O-N 2.9Å; E1081-T1083 PolarHBondContact O-N 3.23Å; E1081-I1084 PolarHBondContact O-N 2.82Å; E1081-R1085 WeakPolarHBondContact O-CB 3.36Å; E1081-R1085 PolarHBondContact O-N 2.9Å
1082	C	73.7	Confident	62.2	Low	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-56.2	-49.8	175.2	179.5	0	0	0	0	111.4	W1052 C1061 F1076 T1078 Y1079 S1080 I1084 R1085 C1086	W1052-C1082 HydrophobicContact CB-CB 4.23Å; C1061-C1082 HydrophobicContact CB-CB 3.71Å; C1061-C1082 WeakPolarHBondContact CB-SG 3.42Å; C1061-C1082 WeakPolarHBondContact SG-CB 3.3Å; C1061-C1082 CovalentContact SG-SG 2.03Å; C1061-C1082 PolarHBondContact SG-SG 2.93Å; F1076-C1082 HydrophobicContact CB-CB 3.77Å; F1076-C1082 HydrophobicContact CD1-CB 4.44Å; F1076-C1082 HydrophobicContact CD2-CB 3.34Å; F1076-C1082 WeakPolarHBondContact CD2-SG 3.06Å; F1076-C1082 HydrophobicContact CE2-CB 4Å; F1076-C1082 VanDerWaalsContact CG-CA 3.5Å; F1076-C1082 HydrophobicContact CG-CB 3.59Å; T1078-C1082 PolarHBondContact O-N 2.86Å; Y1079-C1082 PolarHBondContact O-N 2.77Å; S1080-C1082 PolarHBondContact O-N 3.01Å; C1082-I1084 PolarHBondContact O-N 2.82Å; C1082-R1085 PolarHBondContact O-N 3.35Å; C1082-C1086 WeakPolarHBondContact O-CB 3.17Å; C1082-C1086 PolarHBondContact O-N 2.73Å; C1082-C1086 PolarHBondContact O-SG 3.16Å
1083	T	64.6	Low	60.9	Low	29 Å²	29	80.5 Å²	80.5	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-40.9	-179.5	57.6	0	0	0	0	112.9	C1061 Y1079 S1080 E1081 K1087 M1088	C1061-T1083 HydrophobicContact CB-CG2 4.29Å; C1061-T1083 PolarHBondContact SG-N 2.82Å; Y1079-T1083 HydrophobicContact CD1-CG2 4.22Å; Y1079-T1083 HydrophobicContact CD2-CG2 4.5Å; Y1079-T1083 HydrophobicContact CE1-CG2 3.76Å; Y1079-T1083 HydrophobicContact CE2-CG2 4.09Å; Y1079-T1083 WeakPolarHBondContact O-CG2 3.33Å; Y1079-T1083 PolarHBondContact O-N 2.82Å; Y1079-T1083 PolarHBondContact O-OG1 3.39Å; S1080-T1083 WeakPolarHBondContact CA-OG1 3.4Å; S1080-T1083 PolarHBondContact O-N 3.47Å; S1080-T1083 PolarHBondContact O-OG1 3.45Å; E1081-T1083 PolarHBondContact O-N 3.23Å; T1083-K1087 PolarHBondContact O-N 2.03Å; T1083-M1088 WeakPolarHBondContact O-CB 3.38Å; T1083-M1088 PolarHBondContact O-N 3.47Å
1084	I	57.2	Low	60.1	Low	89 Å²	89	80.8 Å²	80.8	46%	0.456	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-47.1	178.8	-72.3	170	0	0	0	110.2	S1080 E1081 C1082 K1087 I1089	S1080-I1084 VanDerWaalsContact O-CB 3.28Å; S1080-I1084 WeakPolarHBondContact O-CB 3.22Å; S1080-I1084 WeakPolarHBondContact O-CD1 3.18Å; S1080-I1084 WeakPolarHBondContact O-CG1 3.34Å; S1080-I1084 PolarHBondContact O-N 2.85Å; E1081-I1084 PolarHBondContact O-N 2.82Å; C1082-I1084 PolarHBondContact O-N 2.82Å; I1084-K1087 WeakPolarHBondContact O-CA 3.36Å; I1084-K1087 PolarHBondContact O-N 2.91Å; I1084-K1087 VanDerWaalsContact O-N 3.09Å; I1084-I1089 HydrophobicContact CB-CD1 4.43Å; I1084-I1089 HydrophobicContact CB-CG1 4.41Å; I1084-I1089 HydrophobicContact CG2-CD1 3.53Å; I1084-I1089 HydrophobicContact CG2-CG1 4.02Å
1085	R	62.5	Low	58.7	Low	139 Å²	139	84 Å²	84	53%	0.525	41%	0.414	S	S	.	.	H	α-helix	trans	-77.3	-35.1	-172.7	-159	153.7	-176.1	124.9	-1	112.4	F1076 E1081 C1082 K1087	F1076-R1085 HydrophobicContact CD1-CB 4.43Å; F1076-R1085 HydrophobicContact CE1-CB 3.86Å; F1076-R1085 HydrophobicContact CE1-CG 4.05Å; E1081-R1085 WeakPolarHBondContact O-CB 3.36Å; E1081-R1085 PolarHBondContact O-N 2.9Å; C1082-R1085 PolarHBondContact O-N 3.35Å; R1085-K1087 PolarHBondContact O-N 2.8Å; R1085-K1087 VanDerWaalsContact O-N 3.17Å
1086	C	74.5	Confident	57.3	Low	23 Å²	23	88.9 Å²	88.9	16%	0.155	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	18.6	166.2	-59.4	0	0	0	0	113.3	C1036 F1054 F1076 C1082	C1036-C1086 HydrophobicContact CB-CB 3.89Å; C1036-C1086 WeakPolarHBondContact CB-SG 3.29Å; C1036-C1086 WeakPolarHBondContact SG-CA 3.11Å; C1036-C1086 WeakPolarHBondContact SG-CB 3.32Å; C1036-C1086 CovalentContact SG-SG 2.02Å; C1036-C1086 PolarHBondContact SG-SG 2.75Å; F1054-C1086 HydrophobicContact CB-CB 4.44Å; F1054-C1086 VanDerWaalsContact CB-SG 3.56Å; F1054-C1086 HydrophobicContact CD2-CB 3.89Å; F1054-C1086 HydrophobicContact CE2-CB 4.35Å; F1054-C1086 HydrophobicContact CG-CB 4.18Å; F1076-C1086 VanDerWaalsContact CZ-SG 3.58Å; C1082-C1086 WeakPolarHBondContact O-CB 3.17Å; C1082-C1086 PolarHBondContact O-N 2.73Å; C1082-C1086 PolarHBondContact O-SG 3.16Å
1087	K	53.7	Low	56.2	Low	179 Å²	179	90 Å²	90	78%	0.778	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	67.9	171.4	-69.3	-166.9	176.3	-176.9	0	115.2	T1083 I1084 R1085	T1083-K1087 PolarHBondContact O-N 2.03Å; I1084-K1087 WeakPolarHBondContact O-CA 3.36Å; I1084-K1087 PolarHBondContact O-N 2.91Å; I1084-K1087 VanDerWaalsContact O-N 3.09Å; R1085-K1087 PolarHBondContact O-N 2.8Å; R1085-K1087 VanDerWaalsContact O-N 3.17Å
1088	M	39.7	Very low	55.7	Low	153 Å²	153	89.2 Å²	89.2	75%	0.754	44%	0.439	S	S	*	.			trans	-103.8	71	145.5	-60.1	-74.3	-86.8	0	0	107.9	T1083	T1083-M1088 WeakPolarHBondContact O-CB 3.38Å; T1083-M1088 PolarHBondContact O-N 3.47Å
1089	I	30.7	Very low	55.3	Low	111 Å²	111	86.9 Å²	86.9	57%	0.569	43%	0.425	S	S	*	.			trans	-120.5	103.4	169.4	-63.7	175	0	0	0	109.1	I1084	I1084-I1089 HydrophobicContact CB-CD1 4.43Å; I1084-I1089 HydrophobicContact CB-CG1 4.41Å; I1084-I1089 HydrophobicContact CG2-CD1 3.53Å; I1084-I1089 HydrophobicContact CG2-CG1 4.02Å
1090	S	31.9	Very low	54.8	Low	78 Å²	78	87.7 Å²	87.7	55%	0.545	43%	0.428	S	S	.	.			trans	-82.6	104.5	164.6	60.8	0	0	0	0	109.5	E1098	S1090-E1098 WeakPolarHBondContact CB-OE1 3.37Å
1091	S	34.7	Very low	54.7	Low	92 Å²	92	87.3 Å²	87.3	64%	0.643	43%	0.434	S	S	*	.			trans	-128.2	12	164.2	75.4	0	0	0	0	113.1
1092	R	43	Very low	53.8	Low	134 Å²	134	86.7 Å²	86.7	51%	0.506	44%	0.437	S	S	.	.			trans	-102.7	85.9	-178.5	-60.2	-169.1	-179	-156	-0	109.1	C1094 P1099	R1092-C1094 PolarHBondContact O-N 2.75Å; R1092-P1099 HydrophobicContact CB-CG 3.58Å; R1092-P1099 WeakPolarHBondContact O-CD 3.21Å
1093	R	49.7	Very low	52.2	Low	218 Å²	218	93.7 Å²	93.7	82%	0.823	47%	0.474	S	S	*	.			trans	-71.4	112.4	-171	-61.2	173.8	-165.5	150.9	3.9	111
1094	C	60.8	Low	50.8	Low	16 Å²	16	100.8 Å²	100.8	11%	0.108	51%	0.505	C	S	.	.	B	Isolated β-bridge	trans	-103.1	152.1	151.7	-62.8	0	0	0	0	109.8	R1092 Y1096 G1097 C1131	R1092-C1094 PolarHBondContact O-N 2.75Å; C1094-Y1096 PolarHBondContact O-N 2.64Å; C1094-G1097 WeakPolarHBondContact CB-O 3.03Å; C1094-G1097 PolarHBondContact N-O 3.3Å; C1094-C1131 HydrophobicContact CB-CB 3.51Å; C1094-C1131 WeakPolarHBondContact CB-SG 3.28Å; C1094-C1131 WeakPolarHBondContact SG-CA 3.02Å; C1094-C1131 WeakPolarHBondContact SG-CB 3Å; C1094-C1131 CovalentContact SG-SG 2.04Å; C1094-C1131 PolarHBondContact SG-SG 3.18Å
1095	P	56.3	Low	49.6	Very low	69 Å²	69	108.9 Å²	108.9	45%	0.448	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.7	-179.2	-24.2	33.7	0	0	0	114.4	I1121 M1123	P1095-I1121 HydrophobicContact CG-CD1 4.3Å; P1095-M1123 HydrophobicContact CG-CE 4.29Å
1096	Y	54.3	Low	48.4	Very low	128 Å²	128	109 Å²	109	50%	0.502	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	25.7	-172.9	-55.3	-66	0	0	0	113.8	C1094 A1134	C1094-Y1096 PolarHBondContact O-N 2.64Å; Y1096-A1134 HydrophobicContact CD2-CB 4.1Å; Y1096-A1134 HydrophobicContact CE2-CB 4.17Å; Y1096-A1134 HydrophobicContact CG-CB 4.38Å
1097	G	57.6	Low	46.8	Very low	28 Å²	28	114.2 Å²	114.2	29%	0.289	57%	0.57	S	S	.	*	B	Isolated β-bridge	trans	148.9	-153.4	178.1	0	0	0	0	0	113.3	C1094	C1094-G1097 WeakPolarHBondContact CB-O 3.03Å; C1094-G1097 PolarHBondContact N-O 3.3Å
1098	E	60.2	Low	46.4	Very low	85 Å²	85	110.8 Å²	110.8	40%	0.397	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-98.9	149	177.9	-71.7	-72.9	146.8	0	0	111.1	S1090 P1132	S1090-E1098 WeakPolarHBondContact CB-OE1 3.37Å; E1098-P1132 WeakPolarHBondContact O-CD 2.98Å
1099	P	67	Low	47.1	Very low	8 Å²	8	104.7 Å²	104.7	5%	0.052	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-67.5	142.2	176	18.9	-23.5	0	0	0	112.7	R1092 Y1129 C1130	R1092-P1099 HydrophobicContact CB-CG 3.58Å; R1092-P1099 WeakPolarHBondContact O-CD 3.21Å; P1099-Y1129 HydrophobicContact CB-CD1 4.44Å; P1099-C1130 CarbonylContact C-O 3.6Å; P1099-C1130 VanDerWaalsContact CA-O 3.23Å; P1099-C1130 WeakPolarHBondContact CA-O 3.23Å
1100	Y	56.7	Low	48.4	Very low	138 Å²	138	100.3 Å²	100.3	54%	0.541	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	137.5	176.9	-177.7	-97.4	0	0	0	111.8	P1115 Y1118 C1130	Y1100-P1115 HydrophobicContact CD1-CG 3.33Å; Y1100-P1115 HydrophobicContact CD2-CG 3.6Å; Y1100-P1115 HydrophobicContact CE1-CG 3.17Å; Y1100-P1115 HydrophobicContact CE2-CB 4.21Å; Y1100-P1115 HydrophobicContact CE2-CG 3.45Å; Y1100-P1115 VanDerWaalsContact CE2-CG 3.45Å; Y1100-P1115 HydrophobicContact CG-CG 3.53Å; Y1100-Y1118 HydrophobicContact CD2-CD2 4.43Å; Y1100-Y1118 HydrophobicContact CD2-CE1 4.5Å; Y1100-Y1118 HydrophobicContact CD2-CE2 4.13Å; Y1100-C1130 PolarHBondContact N-O 2.03Å
1101	G	56.3	Low	49.7	Very low	52 Å²	52	106.5 Å²	106.5	54%	0.536	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	16	174.8	0	0	0	0	0	115.2	N1103	G1101-N1103 PolarHBondContact O-N 3.42Å
1102	S	44.7	Very low	51.1	Low	52 Å²	52	106.2 Å²	106.2	36%	0.364	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-6.5	-177.6	62.2	0	0	0	0	116.2
1103	N	40.2	Very low	51.9	Low	147 Å²	147	102.1 Å²	102.1	79%	0.786	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-5.4	-168.8	-71.1	-2.8	0	0	0	115.6	G1101	G1101-N1103 PolarHBondContact O-N 3.42Å
1104	E	34.7	Very low	52.7	Low	177 Å²	177	93.5 Å²	93.5	83%	0.827	51%	0.508	S	S	*	.	S	Bend	trans	-139.6	153.1	-179.5	-73.2	-177.3	168.3	0	0	112.9	E1106	E1104-E1106 PolarHBondContact O-N 2.9Å
1105	W	32.9	Very low	52.6	Low	259 Å²	259	94.6 Å²	94.6	98%	0.981	52%	0.515	S	S	*	.	S	Bend	trans	-73.6	43.9	-160	-120.8	29.8	0	0	0	115.1
1106	E	37.4	Very low	52.5	Low	143 Å²	143	97.5 Å²	97.5	67%	0.668	53%	0.526	S	S	*	.			trans	-135.1	120.4	170.5	-77	-172.6	175.7	0	0	111.9	E1104 N1108	E1104-E1106 PolarHBondContact O-N 2.9Å; E1106-N1108 PolarHBondContact O-N 3.42Å; E1106-N1108 PolarHBondContact OE2-ND2 2.02Å
1107	P	40.3	Very low	52.6	Low	131 Å²	131	93.4 Å²	93.4	85%	0.851	51%	0.513	S	S	*	.			trans	-74.6	67.9	169.4	32.3	-31.2	0	0	0	108.9	G1109	P1107-G1109 PolarHBondContact O-N 3.09Å
1108	N	46.3	Very low	53.1	Low	107 Å²	107	95.8 Å²	95.8	57%	0.572	51%	0.514	S	S	*	.			trans	-80.9	67.6	164.7	-68.5	-33.8	0	0	0	107.4	E1106	E1106-N1108 PolarHBondContact O-N 3.42Å; E1106-N1108 PolarHBondContact OE2-ND2 2.02Å
1109	G	53.4	Low	53.5	Low	26 Å²	26	97.9 Å²	97.9	27%	0.268	52%	0.518	S	S	.	.			trans	-48	154.1	156	0	0	0	0	0	108.4	P1107 K1111 Q1128	P1107-G1109 PolarHBondContact O-N 3.09Å; G1109-K1111 PolarHBondContact O-N 3.45Å; G1109-Q1128 VanDerWaalsContact CA-O 3.25Å; G1109-Q1128 WeakPolarHBondContact CA-O 3.11Å
1110	C	58.1	Low	53.9	Low	18 Å²	18	100.1 Å²	100.1	12%	0.122	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-45.9	1.5	-161.4	-48.6	0	0	0	0	120.2	A1112 G1113 C1120 Q1128	C1110-A1112 PolarHBondContact O-N 3Å; C1110-G1113 WeakPolarHBondContact O-CA 3.16Å; C1110-G1113 PolarHBondContact O-N 3.25Å; C1110-C1120 HydrophobicContact CB-CB 3.45Å; C1110-C1120 VanDerWaalsContact CB-CB 3.45Å; C1110-C1120 WeakPolarHBondContact CB-SG 3.33Å; C1110-C1120 WeakPolarHBondContact SG-CA 3.32Å; C1110-C1120 WeakPolarHBondContact SG-CB 3.23Å; C1110-C1120 CovalentContact SG-SG 1.99Å; C1110-C1120 PolarHBondContact SG-SG 3.44Å; C1110-Q1128 HydrophobicContact CB-CB 4.45Å
1111	K	59.4	Low	54.3	Low	209 Å²	209	94.5 Å²	94.5	91%	0.909	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-47.4	-36.8	167.1	-87.1	-174.1	172.7	177.5	0	114.1	G1109 G1113	G1109-K1111 PolarHBondContact O-N 3.45Å; K1111-G1113 PolarHBondContact O-N 3.5Å
1112	A	63.4	Low	54.7	Low	86 Å²	86	94.9 Å²	94.9	71%	0.711	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-80	-6	177.2	0	0	0	0	0	113.5	C1110	C1110-A1112 PolarHBondContact O-N 3Å
1113	G	60.9	Low	55.1	Low	48 Å²	48	97 Å²	97	50%	0.495	51%	0.512	S	S	.	.			trans	81.8	149.4	-165.1	0	0	0	0	0	111.9	C1110 K1111	C1110-G1113 WeakPolarHBondContact O-CA 3.16Å; C1110-G1113 PolarHBondContact O-N 3.25Å; K1111-G1113 PolarHBondContact O-N 3.5Å
1114	C	66.3	Low	55.7	Low	37 Å²	37	97.4 Å²	97.4	25%	0.25	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-86.8	149.8	173.4	-64.8	0	0	0	0	110.9	Y1118 C1120 C1130	C1114-Y1118 VanDerWaalsContact CB-O 3.26Å; C1114-Y1118 WeakPolarHBondContact CB-O 3Å; C1114-C1120 PolarHBondContact SG-N 3.32Å; C1114-C1130 WeakPolarHBondContact CA-SG 3.28Å; C1114-C1130 HydrophobicContact CB-CB 3.76Å; C1114-C1130 WeakPolarHBondContact CB-SG 2.96Å; C1114-C1130 WeakPolarHBondContact SG-CA 3.39Å; C1114-C1130 WeakPolarHBondContact SG-CB 3.4Å; C1114-C1130 CovalentContact SG-SG 2.04Å; C1114-C1130 PolarHBondContact SG-SG 3.29Å
1115	P	57.8	Low	56.4	Low	39 Å²	39	92.1 Å²	92.1	25%	0.253	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-59.6	162.4	171.8	-14.8	25	0	0	0	111.9	Y1100 N1117 Y1118	Y1100-P1115 HydrophobicContact CD1-CG 3.33Å; Y1100-P1115 HydrophobicContact CD2-CG 3.6Å; Y1100-P1115 HydrophobicContact CE1-CG 3.17Å; Y1100-P1115 HydrophobicContact CE2-CB 4.21Å; Y1100-P1115 HydrophobicContact CE2-CG 3.45Å; Y1100-P1115 VanDerWaalsContact CE2-CG 3.45Å; Y1100-P1115 HydrophobicContact CG-CG 3.53Å; P1115-N1117 PolarHBondContact O-N 3.37Å; P1115-Y1118 HydrophobicContact CB-CD2 4.39Å; P1115-Y1118 PolarHBondContact O-N 2.88Å
1116	L	54.4	Low	57.2	Low	129 Å²	129	87.1 Å²	87.1	68%	0.675	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	136.8	169	-117.8	108.7	0	0	0	110.1	Y1118	L1116-Y1118 VanDerWaalsContact C-N 3.31Å
1117	N	57.3	Low	57.8	Low	43 Å²	43	84.8 Å²	84.8	23%	0.23	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	6.8	-176.4	-51.9	-23.2	0	0	0	116.9	P1115 D1133 T1136 L1137	P1115-N1117 PolarHBondContact O-N 3.37Å; N1117-D1133 PolarHBondContact O-N 2.79Å; N1117-T1136 VanDerWaalsContact CA-OG1 3.27Å; N1117-T1136 WeakPolarHBondContact CA-OG1 3.25Å; N1117-T1136 PolarHBondContact OD1-O 3.12Å; N1117-L1137 HydrophobicContact CB-CD1 4.14Å
1118	Y	67.3	Low	58.9	Low	78 Å²	78	83.1 Å²	83.1	31%	0.306	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.2	172.9	-71.6	-102.4	0	0	0	110.3	Y1100 C1114 P1115 L1116 C1130 C1131 P1132	Y1100-Y1118 HydrophobicContact CD2-CD2 4.43Å; Y1100-Y1118 HydrophobicContact CD2-CE1 4.5Å; Y1100-Y1118 HydrophobicContact CD2-CE2 4.13Å; C1114-Y1118 VanDerWaalsContact CB-O 3.26Å; C1114-Y1118 WeakPolarHBondContact CB-O 3Å; P1115-Y1118 HydrophobicContact CB-CD2 4.39Å; P1115-Y1118 PolarHBondContact O-N 2.88Å; L1116-Y1118 VanDerWaalsContact C-N 3.31Å; Y1118-C1130 WeakPolarHBondContact CD1-O 3.02Å; Y1118-C1131 CarbonylContact C-O 3.46Å; Y1118-C1131 VanDerWaalsContact CA-O 3.23Å; Y1118-C1131 WeakPolarHBondContact CA-O 3.03Å; Y1118-P1132 HydrophobicContact CD1-CG 4.17Å; Y1118-P1132 HydrophobicContact CE1-CB 4.28Å; Y1118-P1132 HydrophobicContact CE1-CG 3.6Å
1119	R	67.9	Low	59.9	Low	129 Å²	129	81.9 Å²	81.9	49%	0.487	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.5	171.3	80.5	177.9	-169.3	177.1	1.9	110.9	I1121 C1131 D1133	R1119-I1121 HydrophobicContact CG-CD1 4.21Å; R1119-I1121 HydrophobicContact CG-CG1 3.85Å; R1119-I1121 PolarHBondContact O-N 3.28Å; R1119-C1131 PolarHBondContact N-O 3.09Å; R1119-C1131 PolarHBondContact O-N 3.13Å; R1119-D1133 HydrophobicContact CB-CB 4.01Å; R1119-D1133 VanDerWaalsContact CD-OD2 3.31Å; R1119-D1133 WeakPolarHBondContact CD-OD2 3.42Å; R1119-D1133 HydrophobicContact CG-CB 3.99Å
1120	C	75.5	Confident	60.8	Low	54 Å²	54	81.2 Å²	81.2	37%	0.365	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.7	172.6	-170.5	0	0	0	0	111.1	C1110 C1114 Y1129	C1110-C1120 HydrophobicContact CB-CB 3.45Å; C1110-C1120 VanDerWaalsContact CB-CB 3.45Å; C1110-C1120 WeakPolarHBondContact CB-SG 3.33Å; C1110-C1120 WeakPolarHBondContact SG-CA 3.32Å; C1110-C1120 WeakPolarHBondContact SG-CB 3.23Å; C1110-C1120 CovalentContact SG-SG 1.99Å; C1110-C1120 PolarHBondContact SG-SG 3.44Å; C1114-C1120 PolarHBondContact SG-N 3.32Å; C1120-Y1129 CarbonylContact C-O 3.47Å; C1120-Y1129 WeakPolarHBondContact CA-O 3.27Å
1121	I	66.3	Low	61.3	Low	20 Å²	20	80.5 Å²	80.5	10%	0.103	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.5	172.3	-52.8	-176.6	0	0	0	108.5	P1095 R1119 M1123 Y1129 C1131	P1095-I1121 HydrophobicContact CG-CD1 4.3Å; R1119-I1121 HydrophobicContact CG-CD1 4.21Å; R1119-I1121 HydrophobicContact CG-CG1 3.85Å; R1119-I1121 PolarHBondContact O-N 3.28Å; I1121-M1123 HydrophobicContact CG2-CG 3.85Å; I1121-M1123 HydrophobicContact CG2-SD 3.94Å; I1121-Y1129 PolarHBondContact N-O 3.38Å; I1121-Y1129 PolarHBondContact O-N 3.2Å; I1121-C1131 HydrophobicContact CD1-CB 3.6Å; I1121-C1131 HydrophobicContact CG1-CB 4Å
1122	S	64.5	Low	61.5	Low	61 Å²	61	71.3 Å²	71.3	43%	0.427	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	107.5	166.3	-174.9	0	0	0	0	107.4
1123	M	51.9	Low	61.3	Low	96 Å²	96	68.4 Å²	68.4	47%	0.473	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.7	168.9	-63.6	-71.5	-136.3	0	0	106.2	P1095 I1121 G1125	P1095-M1123 HydrophobicContact CG-CE 4.29Å; I1121-M1123 HydrophobicContact CG2-CG 3.85Å; I1121-M1123 HydrophobicContact CG2-SD 3.94Å; M1123-G1125 PolarHBondContact O-N 3.05Å
1124	D	54.1	Low	60.9	Low	155 Å²	155	68.1 Å²	68.1	83%	0.829	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	12.4	174	-44.1	-35.4	0	0	0	117.4	L1126	D1124-L1126 PolarHBondContact O-N 3.39Å; D1124-L1126 VanDerWaalsContact O-N 3.12Å
1125	G	49.1	Very low	60.1	Low	67 Å²	67	70.6 Å²	70.6	69%	0.691	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	3.6	168.9	0	0	0	0	0	115.7	M1123	M1123-G1125 PolarHBondContact O-N 3.05Å
1126	L	49.2	Very low	59.5	Low	153 Å²	153	71.4 Å²	71.4	80%	0.801	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-44.5	-179.6	-68.9	169.4	0	0	0	112.1	D1124	D1124-L1126 PolarHBondContact O-N 3.39Å; D1124-L1126 VanDerWaalsContact O-N 3.12Å
1127	D	50.9	Low	59	Low	94 Å²	94	67 Å²	67	50%	0.503	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.8	-176	-68.9	-41	0	0	0	113.2	Y1129	D1127-Y1129 HydrophobicContact CB-CD2 4.45Å; D1127-Y1129 HydrophobicContact CB-CE2 3.5Å; D1127-Y1129 VanDerWaalsContact CB-CE2 3.5Å; D1127-Y1129 WeakPolarHBondContact CB-OH 3.4Å; D1127-Y1129 PolarHBondContact OD2-OH 3.35Å
1128	Q	62.7	Low	58.1	Low	97 Å²	97	69 Å²	69	45%	0.453	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.2	177.5	-72.9	-174.4	1.8	0	0	111.2	G1109 C1110	G1109-Q1128 VanDerWaalsContact CA-O 3.25Å; G1109-Q1128 WeakPolarHBondContact CA-O 3.11Å; C1110-Q1128 HydrophobicContact CB-CB 4.45Å
1129	Y	67.9	Low	56.9	Low	80 Å²	80	74.4 Å²	74.4	31%	0.314	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.1	179.6	-56.4	-84.2	0	0	0	111.7	P1099 C1120 I1121 D1127 C1131	P1099-Y1129 HydrophobicContact CB-CD1 4.44Å; C1120-Y1129 CarbonylContact C-O 3.47Å; C1120-Y1129 WeakPolarHBondContact CA-O 3.27Å; I1121-Y1129 PolarHBondContact N-O 3.38Å; I1121-Y1129 PolarHBondContact O-N 3.2Å; D1127-Y1129 HydrophobicContact CB-CD2 4.45Å; D1127-Y1129 HydrophobicContact CB-CE2 3.5Å; D1127-Y1129 VanDerWaalsContact CB-CE2 3.5Å; D1127-Y1129 WeakPolarHBondContact CB-OH 3.4Å; D1127-Y1129 PolarHBondContact OD2-OH 3.35Å; Y1129-C1131 PolarHBondContact O-N 3.15Å
1130	C	71.3	Confident	55.9	Low	12 Å²	12	70.9 Å²	70.9	8%	0.081	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	107.1	168.6	-69.2	0	0	0	0	109.3	P1099 Y1100 C1114 Y1118	P1099-C1130 CarbonylContact C-O 3.6Å; P1099-C1130 VanDerWaalsContact CA-O 3.23Å; P1099-C1130 WeakPolarHBondContact CA-O 3.23Å; Y1100-C1130 PolarHBondContact N-O 2.03Å; C1114-C1130 WeakPolarHBondContact CA-SG 3.28Å; C1114-C1130 HydrophobicContact CB-CB 3.76Å; C1114-C1130 WeakPolarHBondContact CB-SG 2.96Å; C1114-C1130 WeakPolarHBondContact SG-CA 3.39Å; C1114-C1130 WeakPolarHBondContact SG-CB 3.4Å; C1114-C1130 CovalentContact SG-SG 2.04Å; C1114-C1130 PolarHBondContact SG-SG 3.29Å; Y1118-C1130 WeakPolarHBondContact CD1-O 3.02Å
1131	C	69	Low	54.7	Low	3 Å²	3	72.2 Å²	72.2	2%	0.02	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.5	-178.3	-75.7	0	0	0	0	111.7	C1094 Y1118 R1119 I1121 Y1129 D1133	C1094-C1131 HydrophobicContact CB-CB 3.51Å; C1094-C1131 WeakPolarHBondContact CB-SG 3.28Å; C1094-C1131 WeakPolarHBondContact SG-CA 3.02Å; C1094-C1131 WeakPolarHBondContact SG-CB 3Å; C1094-C1131 CovalentContact SG-SG 2.04Å; C1094-C1131 PolarHBondContact SG-SG 3.18Å; Y1118-C1131 CarbonylContact C-O 3.46Å; Y1118-C1131 VanDerWaalsContact CA-O 3.23Å; Y1118-C1131 WeakPolarHBondContact CA-O 3.03Å; R1119-C1131 PolarHBondContact N-O 3.09Å; R1119-C1131 PolarHBondContact O-N 3.13Å; I1121-C1131 HydrophobicContact CD1-CB 3.6Å; I1121-C1131 HydrophobicContact CG1-CB 4Å; Y1129-C1131 PolarHBondContact O-N 3.15Å; C1131-D1133 PolarHBondContact O-N 3.08Å
1132	P	63.6	Low	54.2	Low	17 Å²	17	76 Å²	76	11%	0.11	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	129	175.7	-20.9	30.1	0	0	0	110.7	E1098 Y1118	E1098-P1132 WeakPolarHBondContact O-CD 2.98Å; Y1118-P1132 HydrophobicContact CD1-CG 4.17Å; Y1118-P1132 HydrophobicContact CE1-CB 4.28Å; Y1118-P1132 HydrophobicContact CE1-CG 3.6Å
1133	D	60.6	Low	53.9	Low	25 Å²	25	75.8 Å²	75.8	13%	0.134	44%	0.435	C	S	.	.			trans	-105.1	112	178.3	-174.8	-6.7	0	0	0	110	N1117 R1119 C1131 S1135 T1136 L1137	N1117-D1133 PolarHBondContact O-N 2.79Å; R1119-D1133 HydrophobicContact CB-CB 4.01Å; R1119-D1133 VanDerWaalsContact CD-OD2 3.31Å; R1119-D1133 WeakPolarHBondContact CD-OD2 3.42Å; R1119-D1133 HydrophobicContact CG-CB 3.99Å; C1131-D1133 PolarHBondContact O-N 3.08Å; D1133-S1135 PolarHBondContact O-N 2.86Å; D1133-S1135 WeakPolarHBondContact OD1-CB 3.43Å; D1133-S1135 PolarHBondContact OD1-N 3Å; D1133-S1135 PolarHBondContact OD1-OG 2.82Å; D1133-S1135 PolarHBondContact OD2-OG 2.9Å; D1133-S1135 VanDerWaalsContact OD2-OG 3.11Å; D1133-T1136 WeakPolarHBondContact CB-OG1 3.45Å; D1133-T1136 PolarHBondContact O-N 3.19Å; D1133-T1136 VanDerWaalsContact O-N 3.12Å; D1133-T1136 PolarHBondContact O-OG1 2.04Å; D1133-L1137 PolarHBondContact O-N 3.44Å
1134	A	51.1	Low	54.8	Low	42 Å²	42	72.2 Å²	72.2	35%	0.347	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.7	177.7	0	0	0	0	0	112.7	Y1096 T1136 L1137	Y1096-A1134 HydrophobicContact CD2-CB 4.1Å; Y1096-A1134 HydrophobicContact CE2-CB 4.17Å; Y1096-A1134 HydrophobicContact CG-CB 4.38Å; A1134-T1136 VanDerWaalsContact C-N 3.33Å; A1134-T1136 PolarHBondContact O-N 3.37Å; A1134-L1137 PolarHBondContact O-N 2.99Å
1135	S	49.4	Very low	56	Low	88 Å²	88	65.1 Å²	65.1	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.3	178.7	68	0	0	0	0	112.8	D1133	D1133-S1135 PolarHBondContact O-N 2.86Å; D1133-S1135 WeakPolarHBondContact OD1-CB 3.43Å; D1133-S1135 PolarHBondContact OD1-N 3Å; D1133-S1135 PolarHBondContact OD1-OG 2.82Å; D1133-S1135 PolarHBondContact OD2-OG 2.9Å; D1133-S1135 VanDerWaalsContact OD2-OG 3.11Å
1136	T	46.4	Very low	57.1	Low	57 Å²	57	67 Å²	67	35%	0.35	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-84.8	-14.3	173.8	46.3	0	0	0	0	113.5	N1117 D1133 A1134 S1138	N1117-T1136 VanDerWaalsContact CA-OG1 3.27Å; N1117-T1136 WeakPolarHBondContact CA-OG1 3.25Å; N1117-T1136 PolarHBondContact OD1-O 3.12Å; D1133-T1136 WeakPolarHBondContact CB-OG1 3.45Å; D1133-T1136 PolarHBondContact O-N 3.19Å; D1133-T1136 VanDerWaalsContact O-N 3.12Å; D1133-T1136 PolarHBondContact O-OG1 2.04Å; A1134-T1136 VanDerWaalsContact C-N 3.33Å; A1134-T1136 PolarHBondContact O-N 3.37Å; T1136-S1138 VanDerWaalsContact C-N 3.28Å; T1136-S1138 PolarHBondContact O-N 3.21Å
1137	L	42.5	Very low	58.3	Low	35 Å²	35	62.7 Å²	62.7	18%	0.183	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-80.6	-4.3	-178	-120.7	91.4	0	0	0	114.5	N1117 D1133 A1134 F1139 C1140 I1144 L1185	N1117-L1137 HydrophobicContact CB-CD1 4.14Å; D1133-L1137 PolarHBondContact O-N 3.44Å; A1134-L1137 PolarHBondContact O-N 2.99Å; L1137-F1139 PolarHBondContact O-N 2.87Å; L1137-C1140 PolarHBondContact O-N 3.22Å; L1137-I1144 HydrophobicContact CD2-CD1 4.3Å; L1137-I1144 HydrophobicContact CD2-CG1 3.98Å; L1137-L1185 HydrophobicContact CD2-CD1 3.33Å
1138	S	39.2	Very low	59.5	Low	85 Å²	85	62.7 Å²	62.7	59%	0.594	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62.1	-5.4	-177.7	-170.4	0	0	0	0	114.4	T1136	T1136-S1138 VanDerWaalsContact C-N 3.28Å; T1136-S1138 PolarHBondContact O-N 3.21Å
1139	F	41.7	Very low	60.5	Low	192 Å²	192	61 Å²	61	84%	0.842	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-122.5	8.1	-177.8	-74.3	-80.6	0	0	0	115.6	L1137	L1137-F1139 PolarHBondContact O-N 2.87Å
1140	C	48.1	Very low	61.1	Low	56 Å²	56	60.3 Å²	60.3	38%	0.378	35%	0.35	S	S	.	.			trans	-131.4	54.6	-179.5	-70.1	0	0	0	0	113.4	L1137 D1142 A1143	L1137-C1140 PolarHBondContact O-N 3.22Å; C1140-D1142 PolarHBondContact O-N 2.9Å; C1140-A1143 PolarHBondContact O-N 3.26Å; C1140-A1143 VanDerWaalsContact O-N 3.09Å
1141	L	49.6	Very low	61.7	Low	82 Å²	82	67 Å²	67	43%	0.429	37%	0.373	S	S	.	.	H	α-helix	trans	-54.5	-34.1	-178	-74.4	156.2	0	0	0	113.5	A1143 I1144	L1141-A1143 PolarHBondContact O-N 2.74Å; L1141-A1143 VanDerWaalsContact O-N 3.15Å; L1141-I1144 HydrophobicContact CD2-CD1 4.19Å; L1141-I1144 WeakPolarHBondContact O-CB 3.25Å; L1141-I1144 PolarHBondContact O-N 2.79Å; L1141-I1144 VanDerWaalsContact O-N 3.08Å
1142	D	56	Low	61.9	Low	99 Å²	99	67.7 Å²	67.7	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-59.8	-28.9	179	-59.8	-21	0	0	0	113.3	R896 C1140 I1144	R896-D1142 IonicContact NH1-OD2 3.82Å; R896-D1142 PolarHBondContact NH1-OD2 2.9Å; C1140-D1142 PolarHBondContact O-N 2.9Å; D1142-I1144 VanDerWaalsContact C-N 3.35Å
1143	A	57.7	Low	62.3	Low	56 Å²	56	71.5 Å²	71.5	46%	0.463	39%	0.393	S	S	.	.	H	α-helix	trans	-74.9	-26.4	-179.9	0	0	0	0	0	112.6	C1140 L1141 L1146	C1140-A1143 PolarHBondContact O-N 3.26Å; C1140-A1143 VanDerWaalsContact O-N 3.09Å; L1141-A1143 PolarHBondContact O-N 2.74Å; L1141-A1143 VanDerWaalsContact O-N 3.15Å; A1143-L1146 PolarHBondContact O-N 2.87Å
1144	I	70.5	Confident	62.3	Low	21 Å²	21	76.3 Å²	76.3	11%	0.108	43%	0.429	C	S	.	.	H	α-helix	trans	-65	-46.1	179.7	-65.5	177.9	0	0	0	109.8	L1137 L1141 D1142 L1146 L1147 L1185 N1186 F1188	L1137-I1144 HydrophobicContact CD2-CD1 4.3Å; L1137-I1144 HydrophobicContact CD2-CG1 3.98Å; L1141-I1144 HydrophobicContact CD2-CD1 4.19Å; L1141-I1144 WeakPolarHBondContact O-CB 3.25Å; L1141-I1144 PolarHBondContact O-N 2.79Å; L1141-I1144 VanDerWaalsContact O-N 3.08Å; D1142-I1144 VanDerWaalsContact C-N 3.35Å; I1144-L1146 PolarHBondContact O-N 3.2Å; I1144-L1146 VanDerWaalsContact O-N 3.12Å; I1144-L1147 WeakPolarHBondContact O-CB 3.31Å; I1144-L1147 WeakPolarHBondContact O-CG 3.21Å; I1144-L1147 PolarHBondContact O-N 3.15Å; I1144-L1147 VanDerWaalsContact O-N 3.08Å; I1144-L1185 HydrophobicContact CB-CB 4.46Å; I1144-L1185 HydrophobicContact CD1-CB 4.36Å; I1144-L1185 HydrophobicContact CD1-CD1 4.46Å; I1144-L1185 HydrophobicContact CG1-CB 4.12Å; I1144-L1185 HydrophobicContact CG1-CD1 4.37Å; I1144-L1185 HydrophobicContact CG2-CB 3.72Å; I1144-L1185 WeakPolarHBondContact CG2-O 3.26Å; I1144-N1186 WeakPolarHBondContact O-CB 3.03Å; I1144-F1188 HydrophobicContact CG2-CZ 3.87Å
1145	C	79.5	Confident	63.2	Low	7 Å²	7	81 Å²	81	5%	0.047	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.7	-176	-55.3	0	0	0	0	114	F1166 C1198	C1145-F1166 HydrophobicContact CB-CB 4.25Å; C1145-F1166 HydrophobicContact CB-CD1 4.11Å; C1145-F1166 HydrophobicContact CB-CG 4.32Å; C1145-F1166 VanDerWaalsContact O-CD1 3.31Å; C1145-F1166 WeakPolarHBondContact O-CD1 3.32Å; C1145-C1198 HydrophobicContact CB-CB 3.61Å; C1145-C1198 WeakPolarHBondContact CB-SG 3.38Å; C1145-C1198 WeakPolarHBondContact SG-CA 3.2Å; C1145-C1198 WeakPolarHBondContact SG-CB 3.47Å; C1145-C1198 CovalentContact SG-SG 2.03Å; C1145-C1198 PolarHBondContact SG-SG 3.42Å
1146	L	72.8	Confident	64	Low	105 Å²	105	77.6 Å²	77.6	55%	0.55	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.8	179.6	-62.6	176	0	0	0	113.4	A1143 I1144 A1168	A1143-L1146 PolarHBondContact O-N 2.87Å; I1144-L1146 PolarHBondContact O-N 3.2Å; I1144-L1146 VanDerWaalsContact O-N 3.12Å; L1146-A1168 HydrophobicContact CD2-CB 4.42Å
1147	L	72.8	Confident	64.6	Low	64 Å²	64	85 Å²	85	34%	0.335	45%	0.447	S	S	.	.	S	Bend	trans	-68.4	144.9	176	-59.5	168	0	0	0	110.1	I1144 N1184 L1185 N1186	I1144-L1147 WeakPolarHBondContact O-CB 3.31Å; I1144-L1147 WeakPolarHBondContact O-CG 3.21Å; I1144-L1147 PolarHBondContact O-N 3.15Å; I1144-L1147 VanDerWaalsContact O-N 3.08Å; L1147-N1184 HydrophobicContact CD1-CB 4.18Å; L1147-L1185 HydrophobicContact CD1-CB 3.91Å; L1147-N1186 HydrophobicContact CB-CB 3.89Å; L1147-N1186 PolarHBondContact O-ND2 3.12Å
1148	P	76.8	Confident	65.6	Low	94 Å²	94	89.2 Å²	89.2	61%	0.61	47%	0.465	S	S	*	.			trans	-64.5	148.9	179.4	25.7	-33.7	0	0	0	111.6	H1150 N1184	P1148-H1150 PolarHBondContact O-N 3.06Å; P1148-H1150 VanDerWaalsContact O-N 3.09Å; P1148-N1184 PolarHBondContact O-ND2 2.74Å; P1148-N1184 PolarHBondContact O-OD1 2.93Å
1149	I	83.8	Confident	67	Low	60 Å²	60	91 Å²	91	31%	0.308	47%	0.472	S	S	.	.			trans	-64.6	112.7	174.9	-55	-178.8	0	0	0	109	A1165 H1167 V1174 F1176	I1149-A1165 HydrophobicContact CB-CB 4.41Å; I1149-A1165 HydrophobicContact CD1-CB 4.18Å; I1149-A1165 HydrophobicContact CG1-CB 3.8Å; I1149-A1165 HydrophobicContact CG2-CB 4.1Å; I1149-H1167 HydrophobicContact CD1-CB 4.09Å; I1149-V1174 HydrophobicContact CD1-CG2 3.51Å; I1149-F1176 HydrophobicContact CG2-CB 3.91Å; I1149-F1176 HydrophobicContact CG2-CD1 4.03Å; I1149-F1176 HydrophobicContact CG2-CD2 3.87Å; I1149-F1176 HydrophobicContact CG2-CE2 4.39Å; I1149-F1176 HydrophobicContact CG2-CG 3.66Å
1150	H	81	Confident	68.6	Low	66 Å²	66	85 Å²	85	31%	0.306	45%	0.452	S	S	.	.			trans	-115.5	108.1	-175.9	-168.8	-67.7	0	0	0	111	P1148 G1152 F1176 G1183	P1148-H1150 PolarHBondContact O-N 3.06Å; P1148-H1150 VanDerWaalsContact O-N 3.09Å; H1150-G1152 WeakPolarHBondContact ND1-CA 3.07Å; H1150-G1152 PolarHBondContact ND1-N 3.45Å; H1150-G1152 PolarHBondContact O-N 2.81Å; H1150-F1176 WeakPolarHBondContact O-CE2 3.36Å; H1150-G1183 VanDerWaalsContact ND1-CA 3.31Å; H1150-G1183 WeakPolarHBondContact ND1-CA 3.23Å; H1150-G1183 PolarHBondContact ND1-N 3.21Å
1151	R	82.5	Confident	70.1	Confident	154 Å²	154	86.2 Å²	86.2	58%	0.581	45%	0.453	S	S	*	.			trans	-62.1	-10.8	-177.9	-69.5	-178.6	176.3	-109.1	2	114.9	F1176 F1178 S1179	R1151-F1176 HydrophobicContact CG-CD2 4.2Å; R1151-F1178 CarbonylContact O-C 3.47Å; R1151-F1178 WeakPolarHBondContact O-CA 3.33Å; R1151-F1178 WeakPolarHBondContact O-CD2 3.44Å; R1151-S1179 PolarHBondContact O-N 3.37Å; R1151-S1179 PolarHBondContact O-OG 3.44Å; R1151-S1179 VanDerWaalsContact O-OG 3.12Å
1152	G	75	Confident	71.9	Confident	16 Å²	16	88.1 Å²	88.1	17%	0.165	46%	0.461	C	S	.	.			trans	91.6	-172.7	-173.9	0	0	0	0	0	110.7	H1150 S1179 C1181	H1150-G1152 WeakPolarHBondContact ND1-CA 3.07Å; H1150-G1152 PolarHBondContact ND1-N 3.45Å; H1150-G1152 PolarHBondContact O-N 2.81Å; G1152-S1179 VanDerWaalsContact CA-OG 3.3Å; G1152-S1179 WeakPolarHBondContact CA-OG 3.01Å; G1152-C1181 VanDerWaalsContact CA-O 3.22Å; G1152-C1181 WeakPolarHBondContact CA-O 3.43Å
1153	Y	71.8	Confident	73.7	Confident	97 Å²	97	86.5 Å²	86.5	38%	0.38	45%	0.447	S	S	.	.			trans	-91.2	145.4	-179.2	-58	-61.5	0	0	0	111.8	H1155 C1156 S1179 C1181	Y1153-H1155 WeakPolarHBondContact CB-CE1 3.25Å; Y1153-H1155 AromaticContact CG-CE1 3.71Å; Y1153-H1155 PolarHBondContact O-N 3.39Å; Y1153-C1156 PolarHBondContact O-N 3.37Å; Y1153-C1156 PolarHBondContact O-SG 3.33Å; Y1153-S1179 PolarHBondContact N-OG 3.27Å; Y1153-S1179 VanDerWaalsContact N-OG 3.11Å; Y1153-S1179 VanDerWaalsContact O-CB 3.27Å; Y1153-S1179 WeakPolarHBondContact O-CB 3.46Å; Y1153-S1179 PolarHBondContact O-OG 3.14Å; Y1153-C1181 PolarHBondContact N-O 3.39Å; Y1153-C1181 VanDerWaalsContact N-O 3.16Å
1154	S	60.7	Low	75.4	Confident	127 Å²	127	85.9 Å²	85.9	89%	0.888	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.5	-178.2	53.6	0	0	0	0	114.3	C1156	S1154-C1156 VanDerWaalsContact C-N 3.35Å
1155	H	68.9	Low	76.3	Confident	139 Å²	139	84.9 Å²	84.9	64%	0.644	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.7	-177.9	62.8	-91.7	0	0	0	113.8	Y1153 K1157	Y1153-H1155 WeakPolarHBondContact CB-CE1 3.25Å; Y1153-H1155 AromaticContact CG-CE1 3.71Å; Y1153-H1155 PolarHBondContact O-N 3.39Å; H1155-K1157 PolarHBondContact O-N 2.62Å
1156	C	66.1	Low	76.6	Confident	18 Å²	18	85.8 Å²	85.8	12%	0.122	43%	0.432	C	S	.	.			trans	-65	124.4	174.7	-58.2	0	0	0	0	109.6	Y1153 S1154 H1158 S1179 C1181	Y1153-C1156 PolarHBondContact O-N 3.37Å; Y1153-C1156 PolarHBondContact O-SG 3.33Å; S1154-C1156 VanDerWaalsContact C-N 3.35Å; C1156-H1158 PolarHBondContact O-N 2.77Å; C1156-S1179 WeakPolarHBondContact CB-O 3.41Å; C1156-S1179 PolarHBondContact SG-OG 2.89Å; C1156-C1181 HydrophobicContact CB-CB 3.98Å; C1156-C1181 WeakPolarHBondContact CB-SG 3.46Å; C1156-C1181 WeakPolarHBondContact SG-CA 3.27Å; C1156-C1181 WeakPolarHBondContact SG-CB 3.5Å; C1156-C1181 PolarHBondContact SG-N 3.3Å; C1156-C1181 PolarHBondContact SG-O 2.9Å; C1156-C1181 CovalentContact SG-SG 2.02Å; C1156-C1181 PolarHBondContact SG-SG 3.31Å
1157	K	59.7	Low	77.2	Confident	212 Å²	212	84.1 Å²	84.1	92%	0.922	42%	0.422	S	S	*	.			trans	-80.1	12.4	178.9	-66.1	-170.8	176.5	-176.7	0	113.6	H1155	H1155-K1157 PolarHBondContact O-N 2.62Å
1158	H	62.4	Low	77.1	Confident	123 Å²	123	83.6 Å²	83.6	57%	0.569	43%	0.426	S	S	*	.	S	Bend	trans	-90.7	148.3	179.4	-69.2	-75.9	0	0	0	110.3	C1156	C1156-H1158 PolarHBondContact O-N 2.77Å
1159	V	69.3	Low	76.7	Confident	123 Å²	123	84.4 Å²	84.4	75%	0.745	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-61.3	129.1	168.3	-176.7	0	0	0	0	107.4	Q1161	V1159-Q1161 PolarHBondContact O-N 3.23Å
1160	P	74.6	Confident	76.3	Confident	65 Å²	65	84.3 Å²	84.3	42%	0.422	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-55.7	135.9	179.8	-20.9	29.6	0	0	0	111.3	E1177 F1178	P1160-E1177 HydrophobicContact CB-CG 3.53Å; P1160-E1177 VanDerWaalsContact CB-OE1 3.25Å; P1160-E1177 WeakPolarHBondContact CB-OE1 3.18Å; P1160-F1178 CarbonylContact C-O 3.5Å; P1160-F1178 WeakPolarHBondContact CA-O 2.96Å
1161	Q	80.4	Confident	76.1	Confident	83 Å²	83	82.9 Å²	82.9	39%	0.388	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.8	-179.3	-64.2	-179.7	-1.5	0	0	109.4	V1159 R1163 F1178	V1159-Q1161 PolarHBondContact O-N 3.23Å; Q1161-R1163 HydrophobicContact CB-CG 4.44Å; Q1161-R1163 PolarHBondContact O-N 3.13Å; Q1161-F1178 PolarHBondContact N-O 3.27Å; Q1161-F1178 PolarHBondContact O-N 3.46Å
1162	M	88.1	Confident	76.3	Confident	121 Å²	121	81.2 Å²	81.2	60%	0.596	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.5	165.7	-83.2	-73.2	-73.1	0	0	109.4	P1175	M1162-P1175 HydrophobicContact CE-CB 3.44Å; M1162-P1175 VanDerWaalsContact CE-CB 3.44Å; M1162-P1175 HydrophobicContact CE-CG 4.36Å
1163	R	93.8	Very high	77	Confident	65 Å²	65	80.9 Å²	80.9	25%	0.245	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	170.5	179.6	-67.4	-69.7	-174.1	151.5	-2.6	109	Q1161 P1175 F1176 F1178 N1187 F1188	Q1161-R1163 HydrophobicContact CB-CG 4.44Å; Q1161-R1163 PolarHBondContact O-N 3.13Å; R1163-P1175 CarbonylContact O-C 3.57Å; R1163-P1175 VanDerWaalsContact O-CA 3.27Å; R1163-P1175 WeakPolarHBondContact O-CA 3.3Å; R1163-F1176 HydrophobicContact CB-CD1 4.06Å; R1163-F1176 HydrophobicContact CB-CE1 3.51Å; R1163-F1176 HydrophobicContact CB-CZ 3.85Å; R1163-F1176 PolarHBondContact N-O 2.81Å; R1163-F1176 PolarHBondContact O-N 3.27Å; R1163-F1178 HydrophobicContact CB-CB 4.15Å; R1163-F1178 HydrophobicContact CG-CB 3.59Å; R1163-F1178 HydrophobicContact CG-CD1 4.24Å; R1163-F1178 HydrophobicContact CG-CG 4.23Å; R1163-N1187 VanDerWaalsContact CB-OD1 3.23Å; R1163-N1187 WeakPolarHBondContact CB-OD1 3.29Å; R1163-N1187 VanDerWaalsContact CD-OD1 3.31Å; R1163-N1187 WeakPolarHBondContact CD-OD1 3.31Å; R1163-N1187 WeakPolarHBondContact CG-OD1 3.23Å; R1163-F1188 WeakPolarHBondContact CD-O 2.88Å
1164	F	93	Very high	77.8	Confident	44 Å²	44	78.2 Å²	78.2	19%	0.193	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.4	179.2	-59.8	-89.3	0	0	0	110.1	V1174 P1175 F1188 T1190 I1191 C1194	F1164-V1174 WeakPolarHBondContact CA-O 3.36Å; F1164-P1175 HydrophobicContact CD1-CB 3.97Å; F1164-P1175 HydrophobicContact CE1-CB 3.82Å; F1164-F1188 HydrophobicContact CB-CB 4.46Å; F1164-F1188 PolarHBondContact N-O 2.78Å; F1164-F1188 WeakPolarHBondContact O-CD2 3.42Å; F1164-F1188 PolarHBondContact O-N 3.02Å; F1164-T1190 VanDerWaalsContact CD2-C 3.42Å; F1164-I1191 HydrophobicContact CD1-CB 3.62Å; F1164-I1191 HydrophobicContact CD1-CD1 4.24Å; F1164-I1191 HydrophobicContact CD1-CG1 3.99Å; F1164-I1191 HydrophobicContact CD2-CB 4.39Å; F1164-I1191 HydrophobicContact CE1-CB 3.69Å; F1164-I1191 HydrophobicContact CE1-CD1 4.26Å; F1164-I1191 HydrophobicContact CE1-CG1 4.29Å; F1164-I1191 HydrophobicContact CE2-CB 4.46Å; F1164-I1191 HydrophobicContact CG-CB 3.98Å; F1164-I1191 HydrophobicContact CZ-CB 4.12Å; F1164-C1194 HydrophobicContact CB-CB 4.2Å
1165	A	89.5	Confident	79.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.1	178.2	0	0	0	0	0	109.8	I1149 H1167 C1173 V1174 F1176 N1186	I1149-A1165 HydrophobicContact CB-CB 4.41Å; I1149-A1165 HydrophobicContact CD1-CB 4.18Å; I1149-A1165 HydrophobicContact CG1-CB 3.8Å; I1149-A1165 HydrophobicContact CG2-CB 4.1Å; A1165-H1167 PolarHBondContact O-N 2.96Å; A1165-C1173 WeakPolarHBondContact O-CA 3.5Å; A1165-V1174 PolarHBondContact N-O 3.37Å; A1165-V1174 PolarHBondContact O-N 3.09Å; A1165-F1176 HydrophobicContact CB-CD1 3.76Å; A1165-F1176 HydrophobicContact CB-CE1 3.71Å; A1165-N1186 WeakPolarHBondContact CA-OD1 3.14Å; A1165-N1186 WeakPolarHBondContact CB-O 3.35Å
1166	F	86.4	Confident	80.1	Confident	25 Å²	25	69.5 Å²	69.5	11%	0.11	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.5	174.7	-174.2	-104.1	0	0	0	110.4	C1145 A1168 G1171 N1186 C1198 E1199	C1145-F1166 HydrophobicContact CB-CB 4.25Å; C1145-F1166 HydrophobicContact CB-CD1 4.11Å; C1145-F1166 HydrophobicContact CB-CG 4.32Å; C1145-F1166 VanDerWaalsContact O-CD1 3.31Å; C1145-F1166 WeakPolarHBondContact O-CD1 3.32Å; F1166-A1168 HydrophobicContact CD1-CB 4.32Å; F1166-A1168 HydrophobicContact CE1-CB 4.18Å; F1166-A1168 PolarHBondContact O-N 2.71Å; F1166-G1171 WeakPolarHBondContact CE2-O 3.28Å; F1166-N1186 PolarHBondContact N-OD1 2.8Å; F1166-N1186 PolarHBondContact O-ND2 3.34Å; F1166-C1198 HydrophobicContact CB-CB 3.65Å; F1166-C1198 HydrophobicContact CD1-CB 4.35Å; F1166-C1198 HydrophobicContact CD2-CB 3.43Å; F1166-C1198 VanDerWaalsContact CD2-CB 3.43Å; F1166-C1198 HydrophobicContact CE2-CB 4.1Å; F1166-C1198 WeakPolarHBondContact CE2-O 3.13Å; F1166-C1198 HydrophobicContact CG-CB 3.56Å; F1166-E1199 HydrophobicContact CD2-CG 4.25Å; F1166-E1199 HydrophobicContact CE2-CG 3.93Å
1167	H	85.2	Confident	81	Confident	70 Å²	70	73.4 Å²	73.4	32%	0.324	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	93.1	175.3	-178.8	-112	0	0	0	109.3	I1149 A1165 P1169 S1170 G1171 Q1172 V1174	I1149-H1167 HydrophobicContact CD1-CB 4.09Å; A1165-H1167 PolarHBondContact O-N 2.96Å; H1167-P1169 VanDerWaalsContact C-N 3.3Å; H1167-P1169 VanDerWaalsContact O-N 3.12Å; H1167-S1170 WeakPolarHBondContact CB-OG 3.44Å; H1167-S1170 VanDerWaalsContact ND1-CB 3.3Å; H1167-S1170 WeakPolarHBondContact ND1-CB 2.72Å; H1167-S1170 PolarHBondContact ND1-N 3.39Å; H1167-S1170 PolarHBondContact ND1-OG 3.1Å; H1167-S1170 PolarHBondContact O-N 3.28Å; H1167-S1170 PolarHBondContact O-OG 3.25Å; H1167-G1171 PolarHBondContact O-N 3.36Å; H1167-Q1172 WeakPolarHBondContact CB-O 3.13Å; H1167-Q1172 PolarHBondContact N-O 3.14Å; H1167-V1174 HydrophobicContact CB-CG1 3.97Å; H1167-V1174 HydrophobicContact CB-CG2 3.8Å
1168	A	69.5	Low	82.1	Confident	53 Å²	53	64 Å²	64	44%	0.438	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-36.9	-175.1	0	0	0	0	0	115.7	L1146 F1166 G1171	L1146-A1168 HydrophobicContact CD2-CB 4.42Å; F1166-A1168 HydrophobicContact CD1-CB 4.32Å; F1166-A1168 HydrophobicContact CE1-CB 4.18Å; F1166-A1168 PolarHBondContact O-N 2.71Å; A1168-G1171 PolarHBondContact O-N 3.45Å
1169	P	68.4	Low	82.9	Confident	112 Å²	112	59.2 Å²	59.2	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.5	176	-21.2	33	0	0	0	114.5	H1167	H1167-P1169 VanDerWaalsContact C-N 3.3Å; H1167-P1169 VanDerWaalsContact O-N 3.12Å
1170	S	76.3	Confident	83.1	Confident	58 Å²	58	54.3 Å²	54.3	41%	0.406	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.4	174.9	63.2	0	0	0	0	112.5	H1167 Q1172	H1167-S1170 WeakPolarHBondContact CB-OG 3.44Å; H1167-S1170 VanDerWaalsContact ND1-CB 3.3Å; H1167-S1170 WeakPolarHBondContact ND1-CB 2.72Å; H1167-S1170 PolarHBondContact ND1-N 3.39Å; H1167-S1170 PolarHBondContact ND1-OG 3.1Å; H1167-S1170 PolarHBondContact O-N 3.28Å; H1167-S1170 PolarHBondContact O-OG 3.25Å; S1170-Q1172 PolarHBondContact O-N 3.27Å; S1170-Q1172 PolarHBondContact OG-N 3.45Å
1171	G	77.2	Confident	83	Confident	36 Å²	36	53.2 Å²	53.2	37%	0.371	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	22.5	-174.8	0	0	0	0	0	113.3	F1166 H1167 A1168	F1166-G1171 WeakPolarHBondContact CE2-O 3.28Å; H1167-G1171 PolarHBondContact O-N 3.36Å; A1168-G1171 PolarHBondContact O-N 3.45Å
1172	Q	85.8	Confident	82.8	Confident	119 Å²	119	51.2 Å²	51.2	56%	0.556	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.4	-176.3	-70.3	-176.9	-16.4	0	0	111.6	H1167 S1170 E1199	H1167-Q1172 WeakPolarHBondContact CB-O 3.13Å; H1167-Q1172 PolarHBondContact N-O 3.14Å; S1170-Q1172 PolarHBondContact O-N 3.27Å; S1170-Q1172 PolarHBondContact OG-N 3.45Å; Q1172-E1199 WeakPolarHBondContact CA-OE1 3.35Å
1173	C	89.9	Confident	82	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.4	169.4	-75	0	0	0	0	110.5	A1165 I1191 C1194 Q1195 E1199	A1165-C1173 WeakPolarHBondContact O-CA 3.5Å; C1173-I1191 HydrophobicContact CB-CG1 4.2Å; C1173-C1194 HydrophobicContact CB-CB 3.76Å; C1173-C1194 WeakPolarHBondContact CB-SG 3.45Å; C1173-C1194 WeakPolarHBondContact SG-CB 3.46Å; C1173-C1194 PolarHBondContact SG-O 3.06Å; C1173-C1194 VanDerWaalsContact SG-O 3.4Å; C1173-C1194 CovalentContact SG-SG 2.03Å; C1173-C1194 PolarHBondContact SG-SG 2.99Å; C1173-Q1195 HydrophobicContact CB-CG 4.03Å; C1173-Q1195 PolarHBondContact SG-N 2.04Å; C1173-Q1195 VanDerWaalsContact SG-N 3.4Å; C1173-E1199 PolarHBondContact N-OE1 3.46Å
1174	V	88.1	Confident	81.3	Confident	41 Å²	41	44.7 Å²	44.7	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.9	-178.6	-59.2	0	0	0	0	110.7	I1149 F1164 A1165 H1167	I1149-V1174 HydrophobicContact CD1-CG2 3.51Å; F1164-V1174 WeakPolarHBondContact CA-O 3.36Å; A1165-V1174 PolarHBondContact N-O 3.37Å; A1165-V1174 PolarHBondContact O-N 3.09Å; H1167-V1174 HydrophobicContact CB-CG1 3.97Å; H1167-V1174 HydrophobicContact CB-CG2 3.8Å
1175	P	91.8	Very high	80.8	Confident	72 Å²	72	45.5 Å²	45.5	47%	0.468	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.2	171.6	26.3	-31	0	0	0	111.8	M1162 R1163 F1164	M1162-P1175 HydrophobicContact CE-CB 3.44Å; M1162-P1175 VanDerWaalsContact CE-CB 3.44Å; M1162-P1175 HydrophobicContact CE-CG 4.36Å; R1163-P1175 CarbonylContact O-C 3.57Å; R1163-P1175 VanDerWaalsContact O-CA 3.27Å; R1163-P1175 WeakPolarHBondContact O-CA 3.3Å; F1164-P1175 HydrophobicContact CD1-CB 3.97Å; F1164-P1175 HydrophobicContact CE1-CB 3.82Å
1176	F	87.7	Confident	80.6	Confident	10 Å²	10	45.5 Å²	45.5	4%	0.044	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.6	170.8	80.2	-74.9	0	0	0	111.6	I1149 H1150 R1151 R1163 A1165 F1178 N1187	I1149-F1176 HydrophobicContact CG2-CB 3.91Å; I1149-F1176 HydrophobicContact CG2-CD1 4.03Å; I1149-F1176 HydrophobicContact CG2-CD2 3.87Å; I1149-F1176 HydrophobicContact CG2-CE2 4.39Å; I1149-F1176 HydrophobicContact CG2-CG 3.66Å; H1150-F1176 WeakPolarHBondContact O-CE2 3.36Å; R1151-F1176 HydrophobicContact CG-CD2 4.2Å; R1163-F1176 HydrophobicContact CB-CD1 4.06Å; R1163-F1176 HydrophobicContact CB-CE1 3.51Å; R1163-F1176 HydrophobicContact CB-CZ 3.85Å; R1163-F1176 PolarHBondContact N-O 2.81Å; R1163-F1176 PolarHBondContact O-N 3.27Å; A1165-F1176 HydrophobicContact CB-CD1 3.76Å; A1165-F1176 HydrophobicContact CB-CE1 3.71Å; F1176-F1178 HydrophobicContact CE2-CB 3.8Å; F1176-F1178 HydrophobicContact CE2-CD2 4.22Å; F1176-F1178 HydrophobicContact CE2-CG 4.45Å; F1176-F1178 HydrophobicContact CZ-CB 4.12Å; F1176-N1187 HydrophobicContact CZ-CB 4.11Å
1177	E	84.5	Confident	80.7	Confident	100 Å²	100	45.9 Å²	45.9	47%	0.467	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.1	178.5	-156.3	-176.4	-174.2	0	0	109.8	P1160	P1160-E1177 HydrophobicContact CB-CG 3.53Å; P1160-E1177 VanDerWaalsContact CB-OE1 3.25Å; P1160-E1177 WeakPolarHBondContact CB-OE1 3.18Å
1178	F	83.6	Confident	80.8	Confident	15 Å²	15	43 Å²	43	7%	0.066	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.7	178	177.9	-121	0	0	0	110.1	R1151 P1160 Q1161 R1163 F1176 G1180 G1182	R1151-F1178 CarbonylContact O-C 3.47Å; R1151-F1178 WeakPolarHBondContact O-CA 3.33Å; R1151-F1178 WeakPolarHBondContact O-CD2 3.44Å; P1160-F1178 CarbonylContact C-O 3.5Å; P1160-F1178 WeakPolarHBondContact CA-O 2.96Å; Q1161-F1178 PolarHBondContact N-O 3.27Å; Q1161-F1178 PolarHBondContact O-N 3.46Å; R1163-F1178 HydrophobicContact CB-CB 4.15Å; R1163-F1178 HydrophobicContact CG-CB 3.59Å; R1163-F1178 HydrophobicContact CG-CD1 4.24Å; R1163-F1178 HydrophobicContact CG-CG 4.23Å; F1176-F1178 HydrophobicContact CE2-CB 3.8Å; F1176-F1178 HydrophobicContact CE2-CD2 4.22Å; F1176-F1178 HydrophobicContact CE2-CG 4.45Å; F1176-F1178 HydrophobicContact CZ-CB 4.12Å; F1178-G1180 VanDerWaalsContact CE1-C 3.42Å; F1178-G1180 VanDerWaalsContact CE1-CA 3.48Å; F1178-G1180 PolarHBondContact O-N 2.89Å; F1178-G1182 VanDerWaalsContact CE2-O 3.3Å; F1178-G1182 WeakPolarHBondContact CE2-O 3.4Å; F1178-G1182 VanDerWaalsContact CZ-O 3.24Å; F1178-G1182 WeakPolarHBondContact CZ-O 3.41Å
1179	S	78.4	Confident	81.5	Confident	22 Å²	22	45 Å²	45	15%	0.154	28%	0.28	C	S	.	.			trans	-67	1.3	-176.8	60.2	0	0	0	0	114.6	R1151 G1152 Y1153 C1156 C1181	R1151-S1179 PolarHBondContact O-N 3.37Å; R1151-S1179 PolarHBondContact O-OG 3.44Å; R1151-S1179 VanDerWaalsContact O-OG 3.12Å; G1152-S1179 VanDerWaalsContact CA-OG 3.3Å; G1152-S1179 WeakPolarHBondContact CA-OG 3.01Å; Y1153-S1179 PolarHBondContact N-OG 3.27Å; Y1153-S1179 VanDerWaalsContact N-OG 3.11Å; Y1153-S1179 VanDerWaalsContact O-CB 3.27Å; Y1153-S1179 WeakPolarHBondContact O-CB 3.46Å; Y1153-S1179 PolarHBondContact O-OG 3.14Å; C1156-S1179 WeakPolarHBondContact CB-O 3.41Å; C1156-S1179 PolarHBondContact SG-OG 2.89Å; S1179-C1181 VanDerWaalsContact C-N 3.34Å; S1179-C1181 PolarHBondContact OG-O 3.26Å
1180	G	72.3	Confident	82.4	Confident	20 Å²	20	42.3 Å²	42.3	21%	0.206	26%	0.262	C	S	.	.	S	Bend	trans	90.6	-9.1	174.7	0	0	0	0	0	114.1	F1178	F1178-G1180 VanDerWaalsContact CE1-C 3.42Å; F1178-G1180 VanDerWaalsContact CE1-CA 3.48Å; F1178-G1180 PolarHBondContact O-N 2.89Å
1181	C	72.8	Confident	82.9	Confident	43 Å²	43	41.9 Å²	41.9	29%	0.291	26%	0.255	S	S	.	.	S	Bend	trans	-150.1	157.2	172.7	85.7	0	0	0	0	112.8	G1152 Y1153 C1156 S1179	G1152-C1181 VanDerWaalsContact CA-O 3.22Å; G1152-C1181 WeakPolarHBondContact CA-O 3.43Å; Y1153-C1181 PolarHBondContact N-O 3.39Å; Y1153-C1181 VanDerWaalsContact N-O 3.16Å; C1156-C1181 HydrophobicContact CB-CB 3.98Å; C1156-C1181 WeakPolarHBondContact CB-SG 3.46Å; C1156-C1181 WeakPolarHBondContact SG-CA 3.27Å; C1156-C1181 WeakPolarHBondContact SG-CB 3.5Å; C1156-C1181 PolarHBondContact SG-N 3.3Å; C1156-C1181 PolarHBondContact SG-O 2.9Å; C1156-C1181 CovalentContact SG-SG 2.02Å; C1156-C1181 PolarHBondContact SG-SG 3.31Å; S1179-C1181 VanDerWaalsContact C-N 3.34Å; S1179-C1181 PolarHBondContact OG-O 3.26Å
1182	G	76.4	Confident	83.1	Confident	40 Å²	40	46 Å²	46	41%	0.412	26%	0.264	S	S	.	.			trans	76.9	-148	-169.2	0	0	0	0	0	111.4	F1178	F1178-G1182 VanDerWaalsContact CE2-O 3.3Å; F1178-G1182 WeakPolarHBondContact CE2-O 3.4Å; F1178-G1182 VanDerWaalsContact CZ-O 3.24Å; F1178-G1182 WeakPolarHBondContact CZ-O 3.41Å
1183	G	72.6	Confident	82.9	Confident	20 Å²	20	44.8 Å²	44.8	21%	0.206	26%	0.257	C	S	.	.			trans	87.1	-176.5	-176.8	0	0	0	0	0	113.1	H1150	H1150-G1183 VanDerWaalsContact ND1-CA 3.31Å; H1150-G1183 WeakPolarHBondContact ND1-CA 3.23Å; H1150-G1183 PolarHBondContact ND1-N 3.21Å
1184	N	78.6	Confident	82.8	Confident	29 Å²	29	44.4 Å²	44.4	16%	0.155	25%	0.254	C	S	.	.			trans	-129	-172.7	170.5	65.1	43.3	0	0	0	108.7	L1147 P1148 N1186 N1187	L1147-N1184 HydrophobicContact CD1-CB 4.18Å; P1148-N1184 PolarHBondContact O-ND2 2.74Å; P1148-N1184 PolarHBondContact O-OD1 2.93Å; N1184-N1186 VanDerWaalsContact C-N 3.34Å; N1184-N1186 PolarHBondContact O-N 2.92Å; N1184-N1186 PolarHBondContact OD1-N 3.47Å; N1184-N1187 WeakPolarHBondContact O-CB 3.34Å
1185	L	81.1	Confident	82.6	Confident	61 Å²	61	45.8 Å²	45.8	32%	0.319	26%	0.258	S	S	.	.	S	Bend	trans	-78.4	-11.6	-172.3	-64.3	170	0	0	0	114.5	L1137 I1144 L1147 N1187	L1137-L1185 HydrophobicContact CD2-CD1 3.33Å; I1144-L1185 HydrophobicContact CB-CB 4.46Å; I1144-L1185 HydrophobicContact CD1-CB 4.36Å; I1144-L1185 HydrophobicContact CD1-CD1 4.46Å; I1144-L1185 HydrophobicContact CG1-CB 4.12Å; I1144-L1185 HydrophobicContact CG1-CD1 4.37Å; I1144-L1185 HydrophobicContact CG2-CB 3.72Å; I1144-L1185 WeakPolarHBondContact CG2-O 3.26Å; L1147-L1185 HydrophobicContact CD1-CB 3.91Å; L1185-N1187 PolarHBondContact O-N 2.75Å
1186	N	86.4	Confident	81.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.			trans	-76.9	62.9	170.8	-168	11	0	0	0	109.5	I1144 L1147 A1165 F1166 N1184 F1188	I1144-N1186 WeakPolarHBondContact O-CB 3.03Å; L1147-N1186 HydrophobicContact CB-CB 3.89Å; L1147-N1186 PolarHBondContact O-ND2 3.12Å; A1165-N1186 WeakPolarHBondContact CA-OD1 3.14Å; A1165-N1186 WeakPolarHBondContact CB-O 3.35Å; F1166-N1186 PolarHBondContact N-OD1 2.8Å; F1166-N1186 PolarHBondContact O-ND2 3.34Å; N1184-N1186 VanDerWaalsContact C-N 3.34Å; N1184-N1186 PolarHBondContact O-N 2.92Å; N1184-N1186 PolarHBondContact OD1-N 3.47Å; N1186-F1188 WeakPolarHBondContact OD1-CE2 2.79Å
1187	N	88.3	Confident	81.1	Confident	33 Å²	33	48.1 Å²	48.1	18%	0.176	27%	0.272	C	S	.	.			trans	-153.6	90.3	-170.6	-178.7	-3.2	0	0	0	108.2	R1163 F1176 N1184 L1185	R1163-N1187 VanDerWaalsContact CB-OD1 3.23Å; R1163-N1187 WeakPolarHBondContact CB-OD1 3.29Å; R1163-N1187 VanDerWaalsContact CD-OD1 3.31Å; R1163-N1187 WeakPolarHBondContact CD-OD1 3.31Å; R1163-N1187 WeakPolarHBondContact CG-OD1 3.23Å; F1176-N1187 HydrophobicContact CZ-CB 4.11Å; N1184-N1187 WeakPolarHBondContact O-CB 3.34Å; L1185-N1187 PolarHBondContact O-N 2.75Å
1188	F	87.4	Confident	80.8	Confident	11 Å²	11	44 Å²	44	5%	0.048	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-100.8	146.6	-178.1	-55.7	-84.3	0	0	0	109.9	I1144 R1163 F1164 N1186 F1193 C1194 Q1197	I1144-F1188 HydrophobicContact CG2-CZ 3.87Å; R1163-F1188 WeakPolarHBondContact CD-O 2.88Å; F1164-F1188 HydrophobicContact CB-CB 4.46Å; F1164-F1188 PolarHBondContact N-O 2.78Å; F1164-F1188 WeakPolarHBondContact O-CD2 3.42Å; F1164-F1188 PolarHBondContact O-N 3.02Å; N1186-F1188 WeakPolarHBondContact OD1-CE2 2.79Å; F1188-F1193 HydrophobicContact CB-CD1 4.37Å; F1188-F1193 AromaticContact CD1-CD1 3.54Å; F1188-F1193 HydrophobicContact CD1-CD1 3.54Å; F1188-F1193 AromaticContact CD1-CE1 3.76Å; F1188-F1193 HydrophobicContact CD1-CE1 3.76Å; F1188-F1193 HydrophobicContact CD1-CG 4.4Å; F1188-F1193 HydrophobicContact CE1-CD1 4.35Å; F1188-F1193 HydrophobicContact CE1-CE1 4.22Å; F1188-F1193 HydrophobicContact CG-CD1 4.41Å; F1188-C1194 HydrophobicContact CB-CB 3.85Å; F1188-C1194 HydrophobicContact CD2-CB 3.59Å; F1188-C1194 VanDerWaalsContact CD2-SG 3.58Å; F1188-C1194 HydrophobicContact CE2-CB 4.29Å; F1188-C1194 HydrophobicContact CG-CB 3.76Å; F1188-Q1197 HydrophobicContact CE1-CB 4.12Å; F1188-Q1197 HydrophobicContact CE1-CG 4.11Å; F1188-Q1197 HydrophobicContact CZ-CB 4.32Å
1189	D	84.8	Confident	80.4	Confident	94 Å²	94	46 Å²	46	50%	0.503	26%	0.263	S	S	.	.	S	Bend	trans	-74.8	-32.2	177.4	51.1	-3.3	0	0	0	113.3
1190	T	87.3	Confident	79.6	Confident	56 Å²	56	52.4 Å²	52.4	34%	0.344	30%	0.295	S	S	.	.	S	Bend	trans	-127.8	151.2	-179.9	60.1	0	0	0	0	111.6	F1164 E1192 F1193 C1194	F1164-T1190 VanDerWaalsContact CD2-C 3.42Å; T1190-E1192 VanDerWaalsContact C-N 3.32Å; T1190-E1192 WeakPolarHBondContact CB-OE2 3.44Å; T1190-F1193 PolarHBondContact O-N 2.83Å; T1190-F1193 WeakPolarHBondContact OG1-CB 3.47Å; T1190-F1193 PolarHBondContact OG1-N 3.07Å; T1190-C1194 PolarHBondContact O-N 3.38Å; T1190-C1194 VanDerWaalsContact O-N 3.17Å
1191	I	86.8	Confident	78.1	Confident	49 Å²	49	59.2 Å²	59.2	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-39.6	176.3	-168	167.7	0	0	0	110	F1164 C1173 F1193 C1194 Q1195	F1164-I1191 HydrophobicContact CD1-CB 3.62Å; F1164-I1191 HydrophobicContact CD1-CD1 4.24Å; F1164-I1191 HydrophobicContact CD1-CG1 3.99Å; F1164-I1191 HydrophobicContact CD2-CB 4.39Å; F1164-I1191 HydrophobicContact CE1-CB 3.69Å; F1164-I1191 HydrophobicContact CE1-CD1 4.26Å; F1164-I1191 HydrophobicContact CE1-CG1 4.29Å; F1164-I1191 HydrophobicContact CE2-CB 4.46Å; F1164-I1191 HydrophobicContact CG-CB 3.98Å; F1164-I1191 HydrophobicContact CZ-CB 4.12Å; C1173-I1191 HydrophobicContact CB-CG1 4.2Å; I1191-F1193 VanDerWaalsContact C-N 3.3Å; I1191-F1193 PolarHBondContact O-N 2.68Å; I1191-C1194 WeakPolarHBondContact O-CB 3.2Å; I1191-C1194 PolarHBondContact O-N 3.31Å; I1191-C1194 VanDerWaalsContact O-N 3.13Å; I1191-Q1195 HydrophobicContact CG1-CG 4.12Å; I1191-Q1195 VanDerWaalsContact O-CG 3.25Å; I1191-Q1195 WeakPolarHBondContact O-CG 2.96Å; I1191-Q1195 PolarHBondContact O-N 1.99Å
1192	E	79.6	Confident	76.3	Confident	123 Å²	123	65.4 Å²	65.4	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-40.9	179.7	-61.2	75.4	-164.1	0	0	111.2	T1190 Q1195 S1196	T1190-E1192 VanDerWaalsContact C-N 3.32Å; T1190-E1192 WeakPolarHBondContact CB-OE2 3.44Å; E1192-Q1195 PolarHBondContact O-N 2.9Å; E1192-S1196 VanDerWaalsContact O-CB 3.32Å; E1192-S1196 WeakPolarHBondContact O-CB 3.34Å; E1192-S1196 PolarHBondContact O-N 3.25Å; E1192-S1196 PolarHBondContact O-OG 2.86Å
1193	F	83.3	Confident	74.1	Confident	93 Å²	93	69.4 Å²	69.4	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-66.2	-46	175.7	-170.6	-129.9	0	0	0	110.8	F1188 T1190 I1191 Q1195 S1196 Q1197	F1188-F1193 HydrophobicContact CB-CD1 4.37Å; F1188-F1193 AromaticContact CD1-CD1 3.54Å; F1188-F1193 HydrophobicContact CD1-CD1 3.54Å; F1188-F1193 AromaticContact CD1-CE1 3.76Å; F1188-F1193 HydrophobicContact CD1-CE1 3.76Å; F1188-F1193 HydrophobicContact CD1-CG 4.4Å; F1188-F1193 HydrophobicContact CE1-CD1 4.35Å; F1188-F1193 HydrophobicContact CE1-CE1 4.22Å; F1188-F1193 HydrophobicContact CG-CD1 4.41Å; T1190-F1193 PolarHBondContact O-N 2.83Å; T1190-F1193 WeakPolarHBondContact OG1-CB 3.47Å; T1190-F1193 PolarHBondContact OG1-N 3.07Å; I1191-F1193 VanDerWaalsContact C-N 3.3Å; I1191-F1193 PolarHBondContact O-N 2.68Å; F1193-Q1195 VanDerWaalsContact C-N 3.35Å; F1193-Q1195 PolarHBondContact O-N 3.47Å; F1193-S1196 PolarHBondContact O-N 2.58Å; F1193-S1196 PolarHBondContact O-OG 3.25Å; F1193-Q1197 HydrophobicContact CD2-CG 4.07Å; F1193-Q1197 HydrophobicContact CE2-CG 3.8Å; F1193-Q1197 HydrophobicContact CZ-CG 4.03Å; F1193-Q1197 VanDerWaalsContact O-CG 3.27Å; F1193-Q1197 WeakPolarHBondContact O-CG 3.25Å; F1193-Q1197 PolarHBondContact O-N 3.37Å
1194	C	87.4	Confident	72.1	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-55.5	-48.3	173.9	-177.4	0	0	0	0	112	F1164 C1173 F1188 T1190 I1191 Q1197 C1198	F1164-C1194 HydrophobicContact CB-CB 4.2Å; C1173-C1194 HydrophobicContact CB-CB 3.76Å; C1173-C1194 WeakPolarHBondContact CB-SG 3.45Å; C1173-C1194 WeakPolarHBondContact SG-CB 3.46Å; C1173-C1194 PolarHBondContact SG-O 3.06Å; C1173-C1194 VanDerWaalsContact SG-O 3.4Å; C1173-C1194 CovalentContact SG-SG 2.03Å; C1173-C1194 PolarHBondContact SG-SG 2.99Å; F1188-C1194 HydrophobicContact CB-CB 3.85Å; F1188-C1194 HydrophobicContact CD2-CB 3.59Å; F1188-C1194 VanDerWaalsContact CD2-SG 3.58Å; F1188-C1194 HydrophobicContact CE2-CB 4.29Å; F1188-C1194 HydrophobicContact CG-CB 3.76Å; T1190-C1194 PolarHBondContact O-N 3.38Å; T1190-C1194 VanDerWaalsContact O-N 3.17Å; I1191-C1194 WeakPolarHBondContact O-CB 3.2Å; I1191-C1194 PolarHBondContact O-N 3.31Å; I1191-C1194 VanDerWaalsContact O-N 3.13Å; C1194-Q1197 PolarHBondContact O-N 3.48Å; C1194-C1198 VanDerWaalsContact O-CB 3.24Å; C1194-C1198 WeakPolarHBondContact O-CB 3.47Å; C1194-C1198 PolarHBondContact O-N 3.49Å
1195	Q	84.4	Confident	71.7	Confident	70 Å²	70	83.7 Å²	83.7	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-46.6	-179.5	-66.7	-176.2	-55.4	0	0	111	C1173 I1191 E1192 F1193 Q1197 C1198 E1199	C1173-Q1195 HydrophobicContact CB-CG 4.03Å; C1173-Q1195 PolarHBondContact SG-N 2.04Å; C1173-Q1195 VanDerWaalsContact SG-N 3.4Å; I1191-Q1195 HydrophobicContact CG1-CG 4.12Å; I1191-Q1195 VanDerWaalsContact O-CG 3.25Å; I1191-Q1195 WeakPolarHBondContact O-CG 2.96Å; I1191-Q1195 PolarHBondContact O-N 1.99Å; E1192-Q1195 PolarHBondContact O-N 2.9Å; F1193-Q1195 VanDerWaalsContact C-N 3.35Å; F1193-Q1195 PolarHBondContact O-N 3.47Å; Q1195-Q1197 PolarHBondContact O-N 3.07Å; Q1195-C1198 PolarHBondContact O-N 2.83Å; Q1195-E1199 HydrophobicContact CB-CB 4.24Å; Q1195-E1199 HydrophobicContact CB-CG 4.43Å; Q1195-E1199 HydrophobicContact CG-CG 4.28Å; Q1195-E1199 VanDerWaalsContact CG-OE2 3.32Å; Q1195-E1199 WeakPolarHBondContact CG-OE2 3.31Å; Q1195-E1199 PolarHBondContact NE2-OE2 3.32Å; Q1195-E1199 WeakPolarHBondContact O-CA 2.97Å; Q1195-E1199 WeakPolarHBondContact O-CB 3.32Å; Q1195-E1199 PolarHBondContact O-N 2.86Å
1196	S	74.3	Confident	71.2	Confident	80 Å²	80	84.9 Å²	84.9	56%	0.559	43%	0.432	S	S	*	.	H	α-helix	trans	-59.9	-30.4	177.7	76	0	0	0	0	113.6	E1192 F1193	E1192-S1196 VanDerWaalsContact O-CB 3.32Å; E1192-S1196 WeakPolarHBondContact O-CB 3.34Å; E1192-S1196 PolarHBondContact O-N 3.25Å; E1192-S1196 PolarHBondContact O-OG 2.86Å; F1193-S1196 PolarHBondContact O-N 2.58Å; F1193-S1196 PolarHBondContact O-OG 3.25Å
1197	Q	73.2	Confident	70.4	Confident	52 Å²	52	89.6 Å²	89.6	24%	0.243	46%	0.456	C	S	.	.	H	α-helix	trans	-89.8	-31.5	-179.7	-62.6	-45.9	-68.7	0	0	112.7	F1188 F1193 C1194 Q1195	F1188-Q1197 HydrophobicContact CE1-CB 4.12Å; F1188-Q1197 HydrophobicContact CE1-CG 4.11Å; F1188-Q1197 HydrophobicContact CZ-CB 4.32Å; F1193-Q1197 HydrophobicContact CD2-CG 4.07Å; F1193-Q1197 HydrophobicContact CE2-CG 3.8Å; F1193-Q1197 HydrophobicContact CZ-CG 4.03Å; F1193-Q1197 VanDerWaalsContact O-CG 3.27Å; F1193-Q1197 WeakPolarHBondContact O-CG 3.25Å; F1193-Q1197 PolarHBondContact O-N 3.37Å; C1194-Q1197 PolarHBondContact O-N 3.48Å; Q1195-Q1197 PolarHBondContact O-N 3.07Å
1198	C	78.4	Confident	69.3	Low	14 Å²	14	92.9 Å²	92.9	10%	0.095	47%	0.472	C	S	.	.	H	α-helix	trans	-124.6	-29.4	-165.1	-57.9	0	0	0	0	115.4	C1145 F1166 C1194 Q1195 L1200	C1145-C1198 HydrophobicContact CB-CB 3.61Å; C1145-C1198 WeakPolarHBondContact CB-SG 3.38Å; C1145-C1198 WeakPolarHBondContact SG-CA 3.2Å; C1145-C1198 WeakPolarHBondContact SG-CB 3.47Å; C1145-C1198 CovalentContact SG-SG 2.03Å; C1145-C1198 PolarHBondContact SG-SG 3.42Å; F1166-C1198 HydrophobicContact CB-CB 3.65Å; F1166-C1198 HydrophobicContact CD1-CB 4.35Å; F1166-C1198 HydrophobicContact CD2-CB 3.43Å; F1166-C1198 VanDerWaalsContact CD2-CB 3.43Å; F1166-C1198 HydrophobicContact CE2-CB 4.1Å; F1166-C1198 WeakPolarHBondContact CE2-O 3.13Å; F1166-C1198 HydrophobicContact CG-CB 3.56Å; C1194-C1198 VanDerWaalsContact O-CB 3.24Å; C1194-C1198 WeakPolarHBondContact O-CB 3.47Å; C1194-C1198 PolarHBondContact O-N 3.49Å; Q1195-C1198 PolarHBondContact O-N 2.83Å; C1198-L1200 PolarHBondContact O-N 3.02Å
1199	E	74.2	Confident	68.2	Low	55 Å²	55	98.1 Å²	98.1	26%	0.257	50%	0.499	S	S	.	.			trans	-90.2	98.8	175.2	-70.3	-178.1	-170.2	0	0	108.9	F1166 Q1172 C1173 Q1195 E1201	F1166-E1199 HydrophobicContact CD2-CG 4.25Å; F1166-E1199 HydrophobicContact CE2-CG 3.93Å; Q1172-E1199 WeakPolarHBondContact CA-OE1 3.35Å; C1173-E1199 PolarHBondContact N-OE1 3.46Å; Q1195-E1199 HydrophobicContact CB-CB 4.24Å; Q1195-E1199 HydrophobicContact CB-CG 4.43Å; Q1195-E1199 HydrophobicContact CG-CG 4.28Å; Q1195-E1199 VanDerWaalsContact CG-OE2 3.32Å; Q1195-E1199 WeakPolarHBondContact CG-OE2 3.31Å; Q1195-E1199 PolarHBondContact NE2-OE2 3.32Å; Q1195-E1199 WeakPolarHBondContact O-CA 2.97Å; Q1195-E1199 WeakPolarHBondContact O-CB 3.32Å; Q1195-E1199 PolarHBondContact O-N 2.86Å; E1199-E1201 PolarHBondContact O-N 3.25Å
1200	L	60.9	Low	67.1	Low	158 Å²	158	98.3 Å²	98.3	83%	0.827	50%	0.498	S	S	*	.			trans	-65.7	120.7	173.1	-69.6	166.1	0	0	0	109.1	C1198 N1202	C1198-L1200 PolarHBondContact O-N 3.02Å; L1200-N1202 PolarHBondContact O-N 3.37Å
1201	E	42.5	Very low	65.7	Low	163 Å²	163	101.4 Å²	101.4	76%	0.762	51%	0.509	S	S	*	.			trans	-52.7	125.6	176	-75.2	-173.9	171.8	0	0	110.7	E1199 N1203	E1199-E1201 PolarHBondContact O-N 3.25Å; E1201-N1203 PolarHBondContact O-N 3.11Å; E1201-N1203 PolarHBondContact OE2-ND2 3.41Å
1202	N	35.2	Very low	64	Low	172 Å²	172	105.4 Å²	105.4	92%	0.92	53%	0.529	S	S	*	.			trans	-68.1	43.4	174	-91.4	-28.4	0	0	0	112.7	L1200	L1200-N1202 PolarHBondContact O-N 3.37Å
1203	N	28.7	Very low	62.7	Low	124 Å²	124	103.9 Å²	103.9	66%	0.663	53%	0.525	S	S	*	.			trans	-104.3	105	177.9	-77.1	-27.6	0	0	0	110.5	E1201	E1201-N1203 PolarHBondContact O-N 3.11Å; E1201-N1203 PolarHBondContact OE2-ND2 3.41Å
1204	E	30.3	Very low	60.9	Low	266 Å²	266	104.9 Å²	104.9	100%	1.243	54%	0.536	S	S	*	.			trans	82.6	0	157.2	-55	-170.2	160.1	0	0	120.8

Retrieved 1,204 of 1,204 residues in 1919.4 ms (Link to these results)

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