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Neuropilin-2

High affinity receptor for semaphorins 3C, 3F, VEGF-165 and VEGF-145 isoforms of VEGF, and the PLGF-2 isoform of PGF.

AlphaFold DB , UniProt , Accession X5D7M1, Species HUMAN (Homo sapiens, Human), Gene NRP2, Length 926 aa.

						>X5D7M1_HUMAN|X5D7M1|NRP2
MDMFPLTWVFLALYFSRHQVRGQPDPPCGGRLNSKDAGYITSPGYPQDYPSHQNCEWIVYAPEPNQKIVLNFNPHFEIEKHDCKYDFIEIRDGDSESADLLGKHCGNIAPPTIISSGSMLYIKFTSDYARQGAGFSLRYEIFKTGSEDCSKNFTSPNGTIESPGFPEKYPHNLDCTFTILAKPKMEIILQFLIFDLEHDPLQVGEGDCKYDWLDIWDGIPHVGPLIGKYCGTKTPSELRSSTGILSLTFHTDMAVAKDGFSARYYLVHQEPLENFQCNVPLGMESGRIANEQISASSTYSDGRWTPQQSRLHGDDNGWTPNLDSNKEYLQVDLRFLTMLTAIATQGAISRETQNGYYVKSYKLEVSTNGEDWMVYRHGKNHKVFQANNDATEVVLNKLHAPLLTRFVRIRPQTWHSGIALRLELFGCRVTDAPCSNMLGMLSGLIADSQISASSTQEYLWSPSAARLVSSRSGWFPRIPQAQPGEEWLQVDLGTPKTVKGVIIQGARGGDSITAVEARAFVRKFKVSYSLNGKDWEYIQDPRTQQPKLFEGNMHYDTPDIRRFDPIPAQYVRVYPERWSPAGIGMRLEVLGCDWTDSKPTVETLGPTVKSEETTTPYPTEEEATECGENCSFEDDKDLQLPSGFNCNFDFLEEPCGWMYDHAKWLRTTWASSSSPNDRTFPDDRNFLRLQSDSQREGQYARLISPPVHLPRSPVCMEFQYQATGGRGVALQVVREASQESKLLWVIREDQGGEWKHGRIILPSYDMEYQIVFEGVIGKGRSGEIAIDDIRISTDVPLENCMEPISAFAVDIPEIHEREGYEDEIDDEYEVDWSNSSSATSGSGAPSTDKEKSWLYTLDPILITIIAMSSLGVLLGATCAGLLLYCTCSYSGLSSRSCTTLENYNFELYDGLKYKVKMNHQKCCSEA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	41.2	Very low	228 Å²	228	146.4 Å²	146.4	100%	1.123	73%	0.731	S	S	*	*				0	96.2	0	-69.3	170.3	177.7	0	0	109.2
2	D	36.7	Very low	41.1	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	72%	0.72	S	S	*	*			cis	-152.6	141.5	-14.4	-76.8	-51.6	0	0	0	106.5
3	M	32.5	Very low	41	Very low	145 Å²	145	139.4 Å²	139.4	71%	0.714	72%	0.717	S	S	*	*			cis	100.2	93.1	33.8	-172.3	172.1	75.3	0	0	112.7
4	F	43.1	Very low	40.6	Very low	163 Å²	163	143.5 Å²	143.5	72%	0.715	72%	0.721	S	S	*	*			trans	60.4	138.2	175.6	-61.8	-68.5	0	0	0	116
5	P	48.4	Very low	40.5	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	73%	0.727	S	S	*	*			cis	-143.3	134	42.2	37.2	-17.1	0	0	0	116.9
6	L	42.6	Very low	40.5	Very low	132 Å²	132	143.4 Å²	143.4	69%	0.691	73%	0.725	S	S	*	*			trans	-163.8	-4.1	163.8	-115.9	152.3	0	0	0	116.3	W8	L6-W8 PolarHBondContact O-N 3.35Å
7	T	44.1	Very low	40.4	Very low	86 Å²	86	148.4 Å²	148.4	53%	0.528	73%	0.733	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	3.1	-166.4	44.2	0	0	0	0	116.6
8	W	43.9	Very low	40	Very low	236 Å²	236	150 Å²	150	89%	0.894	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	0.6	-174.9	-87.9	74.3	0	0	0	116	L6	L6-W8 PolarHBondContact O-N 3.35Å
9	V	45.6	Very low	39.5	Very low	102 Å²	102	151.7 Å²	151.7	62%	0.618	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-35.3	174.1	-178.6	0	0	0	0	112
10	F	40.7	Very low	39.3	Very low	139 Å²	139	150.1 Å²	150.1	61%	0.61	74%	0.743	S	S	*	*	S	Bend	trans	-75	-23.3	-178.9	-90.9	-83.6	0	0	0	114.8	A12 L13 Y14	F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 3.36Å; F10-L13 PolarHBondContact O-N 2.72Å; F10-Y14 PolarHBondContact O-N 3.43Å
11	L	39.7	Very low	38.9	Very low	131 Å²	131	153.7 Å²	153.7	69%	0.686	75%	0.748	S	S	*	*	H	α-helix	trans	-70.1	-29.9	179.8	-132.8	77.8	0	0	0	113
12	A	39.1	Very low	38.7	Very low	72 Å²	72	145.5 Å²	145.5	60%	0.595	72%	0.722	S	S	*	*	H	α-helix	trans	-78.5	-18.9	180	0	0	0	0	0	113.8	F10	F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 3.36Å
13	L	40.7	Very low	38.5	Very low	130 Å²	130	147.5 Å²	147.5	68%	0.681	73%	0.727	S	S	*	*	H	α-helix	trans	-101.3	-11.7	-177.7	-74.5	170.4	0	0	0	114.2	F10	F10-L13 PolarHBondContact O-N 2.72Å
14	Y	34.6	Very low	38.8	Very low	197 Å²	197	146.4 Å²	146.4	77%	0.773	73%	0.731	S	S	*	*	H	α-helix	trans	-87.9	-17.1	174.3	-114.2	-86.9	0	0	0	114.2	F10	F10-Y14 PolarHBondContact O-N 3.43Å
15	F	39.6	Very low	39.1	Very low	186 Å²	186	145.6 Å²	145.6	82%	0.816	73%	0.734	S	S	*	*	S	Bend	trans	-101.2	19.4	-179	-88.9	-75.9	0	0	0	115
16	S	39.6	Very low	39.8	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	73%	0.732	S	S	*	*	S	Bend	trans	-130	20.3	176.5	-58	0	0	0	0	114.5
17	R	39.6	Very low	41.4	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	73%	0.734	S	S	*	*	S	Bend	trans	-136.9	35.6	176	-99.5	-165	178.1	-158.5	0.3	116.1
18	H	33.1	Very low	43.5	Very low	178 Å²	178	141.9 Å²	141.9	82%	0.824	72%	0.72	S	S	*	*			trans	-140.7	65.1	148.8	-90.2	-70	0	0	0	110.4	V20	H18-V20 PolarHBondContact O-N 3.08Å
19	Q	31.1	Very low	45.6	Very low	183 Å²	183	131.4 Å²	131.4	86%	0.855	68%	0.684	S	S	*	*			trans	-66.5	95.4	146.2	-173.8	173.5	19.1	0	0	105.6	R21	Q19-R21 PolarHBondContact O-N 2.77Å
20	V	34.1	Very low	47.7	Very low	119 Å²	119	127.1 Å²	127.1	72%	0.721	66%	0.661	S	S	*	*			trans	-60.3	99.8	161.3	176.2	0	0	0	0	104.6	H18 G22	H18-V20 PolarHBondContact O-N 3.08Å; V20-G22 PolarHBondContact O-N 2.97Å
21	R	32.1	Very low	50	Low	226 Å²	226	126 Å²	126	85%	0.853	65%	0.653	S	S	*	*			trans	-68.4	86.3	167.8	-173.7	-176.5	-163.6	174.8	5.1	104.8	Q19 Q23	Q19-R21 PolarHBondContact O-N 2.77Å; R21-Q23 PolarHBondContact O-N 3.34Å
22	G	32.3	Very low	52.5	Low	55 Å²	55	121.9 Å²	121.9	57%	0.567	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-47.5	120.1	171.3	0	0	0	0	0	106.8	V20	V20-G22 PolarHBondContact O-N 2.97Å
23	Q	31.5	Very low	54.9	Low	173 Å²	173	121.2 Å²	121.2	81%	0.808	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-58.6	136.3	162.2	-66.7	-179.9	-109.9	0	0	105.2	R21 D25	R21-Q23 PolarHBondContact O-N 3.34Å; Q23-D25 PolarHBondContact O-N 2.82Å; Q23-D25 VanDerWaalsContact O-N 3.16Å
24	P	39.6	Very low	57.3	Low	122 Å²	122	115 Å²	115	79%	0.792	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-55.3	127.2	162.8	26.4	-32.2	0	0	0	106.2
25	D	49.1	Very low	59.7	Low	146 Å²	146	112.7 Å²	112.7	78%	0.781	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-53.4	138.4	176.5	-65.3	-68.5	0	0	0	108.7	Q23	Q23-D25 PolarHBondContact O-N 2.82Å; Q23-D25 VanDerWaalsContact O-N 3.16Å
26	P	63.7	Low	61.9	Low	111 Å²	111	109.7 Å²	109.7	72%	0.721	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-58.1	131.9	-176.4	24.1	-33.3	0	0	0	109.1	C28	P26-C28 PolarHBondContact O-N 3.36Å
27	P	76.7	Confident	64.3	Low	113 Å²	113	107.2 Å²	107.2	73%	0.734	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-58.1	130.1	-177.6	24	-33.6	0	0	0	109.7
28	C	87.4	Confident	66.9	Low	34 Å²	34	97 Å²	97	23%	0.23	52%	0.523	C	S	.	.	S	Bend	trans	-76.2	161.1	-179.9	66.8	0	0	0	0	111.8	P26 P43 C55 W57	P26-C28 PolarHBondContact O-N 3.36Å; C28-P43 HydrophobicContact CB-CG 3.93Å; C28-C55 HydrophobicContact CB-CB 3.64Å; C28-C55 WeakPolarHBondContact CB-SG 3.48Å; C28-C55 VanDerWaalsContact SG-CA 3.51Å; C28-C55 WeakPolarHBondContact SG-CB 3.08Å; C28-C55 CovalentContact SG-SG 2.03Å; C28-C55 PolarHBondContact SG-SG 2.89Å; C28-W57 HydrophobicContact CB-CZ2 4.41Å
29	G	88.8	Confident	69.9	Low	15 Å²	15	95.7 Å²	95.7	16%	0.155	51%	0.512	C	S	.	.			trans	93.1	-173.7	-167.8	0	0	0	0	0	113.2	E56 W57	G29-E56 CarbonylContact C-O 3.6Å; G29-E56 WeakPolarHBondContact CA-O 3.36Å; G29-W57 VanDerWaalsContact CA-NE1 3.33Å; G29-W57 PolarHBondContact O-NE1 3.39Å
30	G	88.9	Confident	73	Confident	13 Å²	13	87.2 Å²	87.2	13%	0.134	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	160.2	173.4	0	0	0	0	0	115.5	E56 W57 I58	G30-E56 PolarHBondContact N-O 2.9Å; G30-W57 VanDerWaalsContact O-CA 3.25Å; G30-W57 WeakPolarHBondContact O-CA 3.49Å; G30-I58 PolarHBondContact O-N 3.37Å
31	R	89.8	Confident	75.9	Confident	115 Å²	115	84 Å²	84	43%	0.434	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117	172.2	-83.9	177.6	165.7	-174.9	-3.3	110.3	I58 Y60 S461	R31-I58 CarbonylContact C-O 3.59Å; R31-I58 WeakPolarHBondContact CA-O 3.32Å; R31-I58 HydrophobicContact CG-CB 4.07Å; R31-I58 HydrophobicContact CG-CD1 4.25Å; R31-Y60 HydrophobicContact CB-CE1 4.21Å; R31-S461 PolarHBondContact NH1-OG 3.44Å
32	L	92.1	Very high	78.9	Confident	44 Å²	44	73.2 Å²	73.2	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.2	-172.4	-60.2	-179.7	0	0	0	110.9	I40 I58 V59 Y60 Y139	L32-I40 HydrophobicContact CD1-CD1 3.83Å; L32-I40 HydrophobicContact CD1-CG1 3.62Å; L32-I58 PolarHBondContact N-O 2.93Å; L32-V59 WeakPolarHBondContact O-CA 3.37Å; L32-Y60 VanDerWaalsContact O-CD1 3.22Å; L32-Y60 WeakPolarHBondContact O-CD1 3.25Å; L32-Y60 PolarHBondContact O-N 2.81Å; L32-Y139 HydrophobicContact CB-CE1 4.44Å; L32-Y139 HydrophobicContact CB-CE2 4.45Å; L32-Y139 HydrophobicContact CD1-CE1 3.75Å
33	N	89	Confident	81.8	Confident	58 Å²	58	72.1 Å²	72.1	31%	0.31	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.9	-179.6	-166.8	-55.3	0	0	0	110.4	K35 Y60 P62	N33-K35 PolarHBondContact O-N 3.06Å; N33-K35 WeakPolarHBondContact OD1-CB 3.4Å; N33-K35 PolarHBondContact OD1-N 3.16Å; N33-Y60 CarbonylContact C-O 3.52Å; N33-Y60 WeakPolarHBondContact CA-O 3.26Å; N33-Y60 HydrophobicContact CB-CE1 4.05Å; N33-Y60 HydrophobicContact CB-CE2 4.16Å; N33-Y60 WeakPolarHBondContact ND2-CE2 3.36Å; N33-Y60 PolarHBondContact ND2-OH 3.2Å; N33-P62 WeakPolarHBondContact OD1-CG 3.39Å
34	S	91.3	Very high	84.5	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.007	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.1	-174.8	-152.9	0	0	0	0	114.4	D36 Y60 E140 I141	S34-D36 PolarHBondContact O-N 2.91Å; S34-Y60 WeakPolarHBondContact CB-O 3.38Å; S34-Y60 PolarHBondContact N-O 3.19Å; S34-E140 VanDerWaalsContact OG-C 3.27Å; S34-I141 VanDerWaalsContact O-CD1 3.32Å; S34-I141 WeakPolarHBondContact O-CD1 3.45Å; S34-I141 WeakPolarHBondContact O-CG1 3.43Å; S34-I141 PolarHBondContact OG-N 2.87Å
35	K	85.2	Confident	87.1	Confident	148 Å²	148	62.4 Å²	62.4	64%	0.643	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-47.5	175.5	-177.8	179.3	-177.1	-179.7	0	112.7	N33 P62	N33-K35 PolarHBondContact O-N 3.06Å; N33-K35 WeakPolarHBondContact OD1-CB 3.4Å; N33-K35 PolarHBondContact OD1-N 3.16Å; K35-P62 HydrophobicContact CB-CG 3.65Å; K35-P62 HydrophobicContact CG-CG 4.24Å
36	D	85.7	Confident	89.2	Confident	122 Å²	122	59 Å²	59	65%	0.652	34%	0.337	S	S	*	.	S	Bend	trans	-108.9	126.4	175.6	-65.8	-66.7	0	0	0	107.3	S34 G38	S34-D36 PolarHBondContact O-N 2.91Å; D36-G38 PolarHBondContact O-N 3.03Å
37	A	90	Very high	90.6	Very high	48 Å²	48	60.3 Å²	60.3	40%	0.397	33%	0.334	S	S	.	.			trans	-64.8	122.2	-176.1	0	0	0	0	0	111.3	Y139 E140	A37-Y139 CarbonylContact C-O 3.59Å; A37-Y139 WeakPolarHBondContact CA-O 3.3Å; A37-E140 HydrophobicContact CB-CB 3.61Å
38	G	93.6	Very high	91.3	Very high	13 Å²	13	60.2 Å²	60.2	13%	0.134	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-174.2	-173.6	0	0	0	0	0	113.8	D36 R138 Y139	D36-G38 PolarHBondContact O-N 3.03Å; G38-R138 CarbonylContact O-C 3.59Å; G38-R138 WeakPolarHBondContact O-CA 3.42Å; G38-R138 WeakPolarHBondContact O-CG 3.35Å; G38-Y139 VanDerWaalsContact C-CE1 3.41Å; G38-Y139 VanDerWaalsContact CA-CZ 3.48Å; G38-Y139 PolarHBondContact N-O 2.8Å; G38-Y139 PolarHBondContact O-N 2.84Å
39	Y	95.5	Very high	91.6	Very high	150 Å²	150	58.7 Å²	58.7	59%	0.588	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.7	179.5	-70.3	-95.8	0	0	0	111	L137 R138	Y39-L137 CarbonylContact C-O 3.55Å; Y39-L137 VanDerWaalsContact CA-O 3.25Å; Y39-L137 WeakPolarHBondContact CA-O 3.31Å; Y39-L137 WeakPolarHBondContact CD1-O 3.34Å; Y39-R138 HydrophobicContact CD1-CB 3.9Å; Y39-R138 HydrophobicContact CD1-CG 4.28Å; Y39-R138 HydrophobicContact CE1-CB 3.69Å; Y39-R138 HydrophobicContact CE1-CG 3.95Å; Y39-R138 HydrophobicContact CE2-CG 4.24Å
40	I	96.6	Very high	91.7	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.9	164.6	-60.1	171.5	0	0	0	107.2	L32 W57 V59 I122 F135 S136 L137 Y139	L32-I40 HydrophobicContact CD1-CD1 3.83Å; L32-I40 HydrophobicContact CD1-CG1 3.62Å; I40-W57 HydrophobicContact CD1-CB 3.93Å; I40-W57 HydrophobicContact CD1-CD2 4.42Å; I40-W57 HydrophobicContact CD1-CG 3.94Å; I40-W57 HydrophobicContact CG1-CG 4.49Å; I40-W57 HydrophobicContact CG2-CD2 3.62Å; I40-W57 VanDerWaalsContact CG2-CE2 3.47Å; I40-W57 HydrophobicContact CG2-CE3 3.93Å; I40-W57 HydrophobicContact CG2-CG 4.17Å; I40-W57 HydrophobicContact CG2-CH2 3.91Å; I40-W57 HydrophobicContact CG2-CZ2 3.63Å; I40-W57 HydrophobicContact CG2-CZ3 4.07Å; I40-V59 HydrophobicContact CD1-CG2 3.72Å; I40-I122 HydrophobicContact CD1-CD1 3.78Å; I40-F135 HydrophobicContact CG2-CE2 3.95Å; I40-F135 HydrophobicContact CG2-CZ 4.19Å; I40-S136 WeakPolarHBondContact O-CA 3.43Å; I40-L137 HydrophobicContact CB-CD1 4.02Å; I40-L137 HydrophobicContact CB-CD2 4.45Å; I40-L137 HydrophobicContact CB-CG 4.01Å; I40-L137 HydrophobicContact CD1-CD1 4.24Å; I40-L137 HydrophobicContact CG1-CD1 4.3Å; I40-L137 PolarHBondContact N-O 3.22Å; I40-L137 PolarHBondContact O-N 2.67Å; I40-Y139 HydrophobicContact CD1-CD1 4.14Å; I40-Y139 HydrophobicContact CD1-CE1 4.37Å; I40-Y139 HydrophobicContact CG1-CD1 3.88Å; I40-Y139 HydrophobicContact CG1-CE1 3.84Å
41	T	96.1	Very high	91.7	Very high	51 Å²	51	62.1 Å²	62.1	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.8	171.3	72.2	0	0	0	0	110.7	Y45 F135	T41-Y45 HydrophobicContact CG2-CD1 4.15Å; T41-Y45 HydrophobicContact CG2-CG 4.28Å; T41-F135 CarbonylContact C-O 3.53Å; T41-F135 WeakPolarHBondContact CA-O 3.32Å; T41-F135 WeakPolarHBondContact CB-O 3.31Å
42	S	94.4	Very high	91.6	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.343	C	S	.	.			trans	-58.6	149.8	156.7	49.6	0	0	0	0	110.1	G44 Y45 G134 F135	S42-G44 PolarHBondContact O-N 3.44Å; S42-Y45 WeakPolarHBondContact O-CB 3.07Å; S42-Y45 PolarHBondContact O-N 3.14Å; S42-G134 WeakPolarHBondContact OG-CA 3.46Å; S42-F135 PolarHBondContact N-O 3.44Å; S42-F135 PolarHBondContact OG-N 3.35Å; S42-F135 PolarHBondContact OG-O 3.4Å
43	P	92.9	Very high	91.3	Very high	32 Å²	32	63.6 Å²	63.6	21%	0.208	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134.8	175.6	-21.8	32.8	0	0	0	110.6	C28 Y45 Y49 P50	C28-P43 HydrophobicContact CB-CG 3.93Å; P43-Y45 PolarHBondContact O-N 3.1Å; P43-Y49 WeakPolarHBondContact O-CA 3.4Å; P43-P50 HydrophobicContact CB-CG 4.25Å
44	G	89	Confident	91.4	Very high	51 Å²	51	65.2 Å²	65.2	53%	0.526	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-10.6	179.4	0	0	0	0	0	116.9	S42 Q47	S42-G44 PolarHBondContact O-N 3.44Å; G44-Q47 WeakPolarHBondContact O-CA 3.19Å; G44-Q47 VanDerWaalsContact O-CB 3.3Å; G44-Q47 WeakPolarHBondContact O-CB 3.48Å; G44-Q47 PolarHBondContact O-N 2.71Å
45	Y	93.2	Very high	91.5	Very high	41 Å²	41	65.2 Å²	65.2	16%	0.161	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	132.4	-176.6	-176.3	-84.8	0	0	0	113.1	T41 S42 P43 N73 H75 A133 F135 S136	T41-Y45 HydrophobicContact CG2-CD1 4.15Å; T41-Y45 HydrophobicContact CG2-CG 4.28Å; S42-Y45 WeakPolarHBondContact O-CB 3.07Å; S42-Y45 PolarHBondContact O-N 3.14Å; P43-Y45 PolarHBondContact O-N 3.1Å; Y45-N73 PolarHBondContact OH-ND2 2.92Å; Y45-H75 PolarHBondContact OH-O 2.89Å; Y45-A133 WeakPolarHBondContact CD2-O 3.27Å; Y45-F135 WeakPolarHBondContact CD2-O 3.21Å; Y45-S136 VanDerWaalsContact CE1-CB 3.43Å; Y45-S136 VanDerWaalsContact CZ-CB 3.49Å
46	P	93.2	Very high	91.9	Very high	73 Å²	73	61.4 Å²	61.4	47%	0.474	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.3	30	5.4	39.7	-37.5	0	0	0	113.4
47	Q	92.7	Very high	92.4	Very high	140 Å²	140	56.5 Å²	56.5	65%	0.654	31%	0.31	S	S	*	.	S	Bend	trans	-84.5	162.8	161.6	-57.3	-61.7	-99.2	0	0	110.1	G44 Y49	G44-Q47 WeakPolarHBondContact O-CA 3.19Å; G44-Q47 VanDerWaalsContact O-CB 3.3Å; G44-Q47 WeakPolarHBondContact O-CB 3.48Å; G44-Q47 PolarHBondContact O-N 2.71Å; Q47-Y49 PolarHBondContact O-N 2.71Å
48	D	92.2	Very high	92.6	Very high	110 Å²	110	55.3 Å²	55.3	59%	0.588	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.6	130.1	177.9	-62.3	-27.2	0	0	0	110.9	Q131 G132 A133	D48-Q131 HydrophobicContact CB-CB 4.19Å; D48-G132 VanDerWaalsContact CA-O 3.3Å; D48-G132 WeakPolarHBondContact CA-O 3.49Å; D48-G132 VanDerWaalsContact OD1-C 3.22Å; D48-G132 VanDerWaalsContact OD1-CA 3.31Å; D48-G132 WeakPolarHBondContact OD1-CA 3.46Å; D48-A133 PolarHBondContact OD1-N 2.92Å
49	Y	92.9	Very high	92.7	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.012	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-63.9	153.6	177.7	51.1	-101.6	0	0	0	111.5	P43 Q47 I78 E79 D86 F124 S126 Q131 G132	P43-Y49 WeakPolarHBondContact O-CA 3.4Å; Q47-Y49 PolarHBondContact O-N 2.71Å; Y49-I78 HydrophobicContact CE1-CG1 4.31Å; Y49-E79 PolarHBondContact OH-N 2.76Å; Y49-D86 WeakPolarHBondContact CE2-OD2 3.21Å; Y49-D86 VanDerWaalsContact CZ-OD2 3.23Å; Y49-D86 PolarHBondContact OH-OD2 3.24Å; Y49-F124 AromaticContact CD1-CZ 3.91Å; Y49-F124 HydrophobicContact CD1-CZ 3.91Å; Y49-F124 HydrophobicContact CD2-CE1 4.32Å; Y49-F124 AromaticContact CD2-CZ 3.76Å; Y49-F124 HydrophobicContact CD2-CZ 3.76Å; Y49-F124 HydrophobicContact CE1-CZ 4.18Å; Y49-F124 HydrophobicContact CE2-CZ 4.03Å; Y49-F124 HydrophobicContact CG-CE1 4.23Å; Y49-F124 AromaticContact CG-CZ 3.69Å; Y49-F124 HydrophobicContact CG-CZ 3.69Å; Y49-S126 WeakPolarHBondContact CE2-OG 3.18Å; Y49-Q131 HydrophobicContact CD2-CB 3.86Å; Y49-Q131 HydrophobicContact CD2-CG 3.88Å; Y49-Q131 HydrophobicContact CE2-CB 3.68Å; Y49-Q131 HydrophobicContact CE2-CG 3.77Å; Y49-Q131 HydrophobicContact CG-CB 4.45Å; Y49-Q131 WeakPolarHBondContact O-CB 3.16Å; Y49-Q131 VanDerWaalsContact O-CG 3.25Å; Y49-Q131 WeakPolarHBondContact O-CG 3.37Å; Y49-G132 WeakPolarHBondContact CD1-O 3.47Å; Y49-G132 WeakPolarHBondContact CE1-O 3.19Å; Y49-G132 PolarHBondContact N-O 2.87Å
50	P	91.1	Very high	92.6	Very high	58 Å²	58	51.1 Å²	51.1	38%	0.377	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-67.2	152.9	173.1	-15.9	29.6	0	0	0	111.4	P43 Q53	P43-P50 HydrophobicContact CB-CG 4.25Å; P50-Q53 HydrophobicContact CB-CG 3.86Å; P50-Q53 HydrophobicContact CG-CG 4.27Å; P50-Q53 VanDerWaalsContact O-CG 3.25Å; P50-Q53 WeakPolarHBondContact O-CG 3.44Å
51	S	89.9	Confident	92.1	Very high	41 Å²	41	51.2 Å²	51.2	29%	0.287	28%	0.278	S	S	.	.	S	Bend	trans	-72.8	166.5	166.7	32.6	0	0	0	0	112.2	Q53 D127 Q131	S51-Q53 PolarHBondContact O-N 2.74Å; S51-Q53 PolarHBondContact O-NE2 2.98Å; S51-D127 CarbonylContact C-O 3.55Å; S51-D127 WeakPolarHBondContact CA-O 3.35Å; S51-D127 WeakPolarHBondContact CB-O 2.93Å; S51-Q131 VanDerWaalsContact CB-NE2 3.33Å; S51-Q131 PolarHBondContact OG-NE2 2.85Å
52	H	86.9	Confident	91.4	Very high	135 Å²	135	51.1 Å²	51.1	63%	0.625	28%	0.278	S	S	*	.	S	Bend	trans	56.2	30.3	178.3	-71.4	-60.6	0	0	0	114.7	S126 D127 Y128	H52-S126 VanDerWaalsContact CA-O 3.27Å; H52-S126 WeakPolarHBondContact CA-O 2.98Å; H52-S126 PolarHBondContact N-O 2.68Å; H52-D127 PolarHBondContact N-O 3.41Å; H52-Y128 WeakPolarHBondContact NE2-CB 3.49Å
53	Q	85.6	Confident	90.4	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	30%	0.298	S	S	.	.			trans	-86.7	140.5	177.2	-60.3	-54.5	-67.4	0	0	111.3	P50 S51 F124 T125 S126	P50-Q53 HydrophobicContact CB-CG 3.86Å; P50-Q53 HydrophobicContact CG-CG 4.27Å; P50-Q53 VanDerWaalsContact O-CG 3.25Å; P50-Q53 WeakPolarHBondContact O-CG 3.44Å; S51-Q53 PolarHBondContact O-N 2.74Å; S51-Q53 PolarHBondContact O-NE2 2.98Å; Q53-F124 HydrophobicContact CB-CE1 4.31Å; Q53-T125 CarbonylContact O-C 3.52Å; Q53-T125 WeakPolarHBondContact O-CA 3.46Å; Q53-S126 PolarHBondContact N-O 3.33Å; Q53-S126 PolarHBondContact O-N 3.37Å
54	N	90.8	Very high	89.1	Confident	93 Å²	93	55.4 Å²	55.4	50%	0.497	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	113.1	159.5	-74.1	-72.8	0	0	0	106.6	F124 T125	N54-F124 CarbonylContact C-O 3.56Å; N54-F124 WeakPolarHBondContact CA-O 3.44Å; N54-T125 WeakPolarHBondContact OD1-CB 3.41Å; N54-T125 WeakPolarHBondContact OD1-CG2 3.46Å; N54-T125 PolarHBondContact OD1-OG1 2.84Å
55	C	93.8	Very high	88	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.6	-175.1	-55.8	0	0	0	0	108.7	C28 W57 K123 F124	C28-C55 HydrophobicContact CB-CB 3.64Å; C28-C55 WeakPolarHBondContact CB-SG 3.48Å; C28-C55 VanDerWaalsContact SG-CA 3.51Å; C28-C55 WeakPolarHBondContact SG-CB 3.08Å; C28-C55 CovalentContact SG-SG 2.03Å; C28-C55 PolarHBondContact SG-SG 2.89Å; C55-W57 HydrophobicContact CB-CE3 4.31Å; C55-W57 HydrophobicContact CB-CH2 3.31Å; C55-W57 HydrophobicContact CB-CZ2 3.93Å; C55-W57 HydrophobicContact CB-CZ3 3.52Å; C55-W57 WeakPolarHBondContact O-CZ3 3.23Å; C55-K123 CarbonylContact O-C 3.56Å; C55-K123 WeakPolarHBondContact O-CA 3.22Å; C55-F124 HydrophobicContact CB-CB 4.35Å; C55-F124 PolarHBondContact N-O 3.12Å; C55-F124 PolarHBondContact O-N 2.85Å
56	E	94.4	Very high	87.2	Confident	69 Å²	69	54.1 Å²	54.1	32%	0.322	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	117.5	-168.8	-62.8	-179.5	-160.3	0	0	110.3	G29 G30 Y121 I122 K123 L459	G29-E56 CarbonylContact C-O 3.6Å; G29-E56 WeakPolarHBondContact CA-O 3.36Å; G30-E56 PolarHBondContact N-O 2.9Å; E56-Y121 HydrophobicContact CB-CE2 4.31Å; E56-Y121 WeakPolarHBondContact CG-OH 3.42Å; E56-Y121 PolarHBondContact OE2-OH 3.1Å; E56-I122 WeakPolarHBondContact CA-O 3.48Å; E56-K123 HydrophobicContact CG-CB 4.41Å; E56-K123 HydrophobicContact CG-CD 4.15Å; E56-K123 HydrophobicContact CG-CG 4.03Å; E56-K123 WeakPolarHBondContact OE1-CE 3.32Å; E56-K123 IonicContact OE1-NZ 2.82Å; E56-K123 PolarHBondContact OE1-NZ 2.64Å; E56-L459 WeakPolarHBondContact O-CD1 3.45Å
57	W	95.5	Very high	86.9	Confident	18 Å²	18	51.9 Å²	51.9	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.9	-179.1	-60.4	-92.3	0	0	0	110.6	C28 G29 G30 I40 C55 I122 F124 F135	C28-W57 HydrophobicContact CB-CZ2 4.41Å; G29-W57 VanDerWaalsContact CA-NE1 3.33Å; G29-W57 PolarHBondContact O-NE1 3.39Å; G30-W57 VanDerWaalsContact O-CA 3.25Å; G30-W57 WeakPolarHBondContact O-CA 3.49Å; I40-W57 HydrophobicContact CD1-CB 3.93Å; I40-W57 HydrophobicContact CD1-CD2 4.42Å; I40-W57 HydrophobicContact CD1-CG 3.94Å; I40-W57 HydrophobicContact CG1-CG 4.49Å; I40-W57 HydrophobicContact CG2-CD2 3.62Å; I40-W57 VanDerWaalsContact CG2-CE2 3.47Å; I40-W57 HydrophobicContact CG2-CE3 3.93Å; I40-W57 HydrophobicContact CG2-CG 4.17Å; I40-W57 HydrophobicContact CG2-CH2 3.91Å; I40-W57 HydrophobicContact CG2-CZ2 3.63Å; I40-W57 HydrophobicContact CG2-CZ3 4.07Å; C55-W57 HydrophobicContact CB-CE3 4.31Å; C55-W57 HydrophobicContact CB-CH2 3.31Å; C55-W57 HydrophobicContact CB-CZ2 3.93Å; C55-W57 HydrophobicContact CB-CZ3 3.52Å; C55-W57 WeakPolarHBondContact O-CZ3 3.23Å; W57-I122 HydrophobicContact CB-CB 4.41Å; W57-I122 HydrophobicContact CE3-CG2 4.27Å; W57-I122 PolarHBondContact N-O 2.64Å; W57-I122 PolarHBondContact O-N 2.8Å; W57-F124 HydrophobicContact CH2-CB 4.43Å; W57-F124 HydrophobicContact CZ3-CB 3.92Å; W57-F135 HydrophobicContact CH2-CZ 4.02Å; W57-F135 AromaticContact CZ3-CZ 3.96Å; W57-F135 HydrophobicContact CZ3-CZ 3.96Å
58	I	95.1	Very high	86.9	Confident	23 Å²	23	45.2 Å²	45.2	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110.8	164.5	-60.9	160.4	0	0	0	106.3	G30 R31 L32 D94 L120 Y121	G30-I58 PolarHBondContact O-N 3.37Å; R31-I58 CarbonylContact C-O 3.59Å; R31-I58 WeakPolarHBondContact CA-O 3.32Å; R31-I58 HydrophobicContact CG-CB 4.07Å; R31-I58 HydrophobicContact CG-CD1 4.25Å; L32-I58 PolarHBondContact N-O 2.93Å; I58-D94 WeakPolarHBondContact CD1-O 3.29Å; I58-D94 WeakPolarHBondContact CG1-O 3.46Å; I58-D94 HydrophobicContact CG2-CB 4.41Å; I58-L120 WeakPolarHBondContact CA-O 3.01Å; I58-Y121 HydrophobicContact CG1-CD2 3.94Å
59	V	95.8	Very high	87	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.2	167.1	-171.4	0	0	0	0	106.9	L32 I40 I68 M119 L120 I122 Y139	L32-V59 WeakPolarHBondContact O-CA 3.37Å; I40-V59 HydrophobicContact CD1-CG2 3.72Å; V59-I68 HydrophobicContact CB-CD1 4.1Å; V59-I68 HydrophobicContact CG1-CD1 3.87Å; V59-I68 HydrophobicContact CG1-CG1 4.4Å; V59-I68 HydrophobicContact CG1-CG2 3.96Å; V59-I68 WeakPolarHBondContact O-CD1 3.43Å; V59-M119 CarbonylContact O-C 3.4Å; V59-M119 VanDerWaalsContact O-CA 3.3Å; V59-M119 WeakPolarHBondContact O-CA 3.3Å; V59-L120 PolarHBondContact N-O 2.86Å; V59-L120 PolarHBondContact O-N 2.88Å; V59-I122 HydrophobicContact CG2-CD1 3.93Å; V59-Y139 HydrophobicContact CG1-CD2 3.73Å; V59-Y139 HydrophobicContact CG1-CE2 4.37Å; V59-Y139 HydrophobicContact CG1-CG 3.91Å; V59-Y139 HydrophobicContact CG2-CD1 4.33Å; V59-Y139 HydrophobicContact CG2-CG 4.26Å
60	Y	92	Very high	87.1	Confident	76 Å²	76	40.3 Å²	40.3	30%	0.298	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.5	177.9	70.5	-80.5	0	0	0	110.3	R31 L32 N33 S34 S118	R31-Y60 HydrophobicContact CB-CE1 4.21Å; L32-Y60 VanDerWaalsContact O-CD1 3.22Å; L32-Y60 WeakPolarHBondContact O-CD1 3.25Å; L32-Y60 PolarHBondContact O-N 2.81Å; N33-Y60 CarbonylContact C-O 3.52Å; N33-Y60 WeakPolarHBondContact CA-O 3.26Å; N33-Y60 HydrophobicContact CB-CE1 4.05Å; N33-Y60 HydrophobicContact CB-CE2 4.16Å; N33-Y60 WeakPolarHBondContact ND2-CE2 3.36Å; N33-Y60 PolarHBondContact ND2-OH 3.2Å; S34-Y60 WeakPolarHBondContact CB-O 3.38Å; S34-Y60 PolarHBondContact N-O 3.19Å; Y60-S118 WeakPolarHBondContact CA-O 3.42Å
61	A	87.5	Confident	87.2	Confident	6 Å²	6	40.1 Å²	40.1	5%	0.05	20%	0.202	C	C	.	.			trans	-82.1	155.8	170.6	0	0	0	0	0	111.3	E63 Q66 I68 S118 I141	A61-E63 VanDerWaalsContact C-N 3.32Å; A61-E63 PolarHBondContact O-N 2.76Å; A61-Q66 HydrophobicContact CB-CB 3.47Å; A61-Q66 VanDerWaalsContact CB-CB 3.47Å; A61-Q66 WeakPolarHBondContact CB-O 3.35Å; A61-I68 HydrophobicContact CB-CG1 4.48Å; A61-S118 PolarHBondContact N-O 2.88Å; A61-I141 HydrophobicContact CB-CG1 4.3Å
62	P	80.6	Confident	87.5	Confident	50 Å²	50	39.2 Å²	39.2	33%	0.325	19%	0.193	S	C	.	.	S	Bend	trans	-57.2	-42.2	173.8	-26.9	34.8	0	0	0	114.1	N33 K35	N33-P62 WeakPolarHBondContact OD1-CG 3.39Å; K35-P62 HydrophobicContact CB-CG 3.65Å; K35-P62 HydrophobicContact CG-CG 4.24Å
63	E	73.9	Confident	87.7	Confident	90 Å²	90	35.9 Å²	35.9	42%	0.421	18%	0.18	S	C	.	.	S	Bend	trans	-110.5	145.1	-175.2	-52.4	-53.1	147.4	0	0	110.2	A61 N65 Q66	A61-E63 VanDerWaalsContact C-N 3.32Å; A61-E63 PolarHBondContact O-N 2.76Å; E63-N65 WeakPolarHBondContact CB-OD1 3.17Å; E63-N65 PolarHBondContact O-N 2.77Å; E63-N65 VanDerWaalsContact O-N 3.12Å; E63-Q66 HydrophobicContact CB-CG 4.33Å; E63-Q66 PolarHBondContact O-N 2Å
64	P	64.7	Low	88	Confident	31 Å²	31	38.7 Å²	38.7	20%	0.201	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.9	178.1	26.3	-34.3	0	0	0	113.2	Q66 T176	P64-Q66 VanDerWaalsContact C-N 3.33Å; P64-Q66 PolarHBondContact O-N 3.45Å; P64-T176 WeakPolarHBondContact CG-OG1 3.44Å
65	N	65.9	Low	88.1	Confident	15 Å²	15	38.8 Å²	38.8	8%	0.08	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.2	179.6	67.5	13.5	0	0	0	115.7	E63 D174	E63-N65 WeakPolarHBondContact CB-OD1 3.17Å; E63-N65 PolarHBondContact O-N 2.77Å; E63-N65 VanDerWaalsContact O-N 3.12Å; N65-D174 HydrophobicContact CB-CB 3.22Å; N65-D174 WeakPolarHBondContact CB-O 3.41Å; N65-D174 PolarHBondContact ND2-O 3.24Å
66	Q	76.9	Confident	88.1	Confident	50 Å²	50	39 Å²	39	23%	0.234	20%	0.201	C	C	.	.			trans	-103.6	105	-177.4	-77.5	164.7	26.1	0	0	110.1	A61 E63 P64 S118 I141	A61-Q66 HydrophobicContact CB-CB 3.47Å; A61-Q66 VanDerWaalsContact CB-CB 3.47Å; A61-Q66 WeakPolarHBondContact CB-O 3.35Å; E63-Q66 HydrophobicContact CB-CG 4.33Å; E63-Q66 PolarHBondContact O-N 2Å; P64-Q66 VanDerWaalsContact C-N 3.33Å; P64-Q66 PolarHBondContact O-N 3.45Å; Q66-S118 WeakPolarHBondContact O-CA 3.19Å; Q66-I141 HydrophobicContact CB-CG1 4.31Å; Q66-I141 HydrophobicContact CB-CG2 3.8Å; Q66-I141 HydrophobicContact CG-CG2 3.74Å
67	K	86.5	Confident	88.2	Confident	26 Å²	26	39.5 Å²	39.5	11%	0.113	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	156.8	172.8	-52.4	-170.1	-173.1	-148.4	0	109.4	I114 S116 F142 T144	K67-I114 HydrophobicContact CB-CG2 4.43Å; K67-S116 WeakPolarHBondContact CD-O 3.34Å; K67-S116 WeakPolarHBondContact CE-O 3.12Å; K67-S116 PolarHBondContact NZ-O 2.96Å; K67-F142 HydrophobicContact CB-CB 4.28Å; K67-F142 WeakPolarHBondContact O-CB 3.16Å; K67-F142 PolarHBondContact O-N 2.98Å; K67-T144 HydrophobicContact CD-CG2 4.47Å
68	I	92.8	Very high	88.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.1	-178.9	-62.1	159.2	0	0	0	108.4	V59 A61 L70 I114 S115 S118 L120	V59-I68 HydrophobicContact CB-CD1 4.1Å; V59-I68 HydrophobicContact CG1-CD1 3.87Å; V59-I68 HydrophobicContact CG1-CG1 4.4Å; V59-I68 HydrophobicContact CG1-CG2 3.96Å; V59-I68 WeakPolarHBondContact O-CD1 3.43Å; A61-I68 HydrophobicContact CB-CG1 4.48Å; I68-L70 HydrophobicContact CG2-CD2 3.92Å; I68-I114 WeakPolarHBondContact O-CA 2.98Å; I68-S115 PolarHBondContact N-OG 3.29Å; I68-S115 PolarHBondContact O-N 3.1Å; I68-S115 PolarHBondContact O-OG 2.85Å; I68-S118 VanDerWaalsContact CD1-O 3.25Å; I68-S118 WeakPolarHBondContact CD1-O 2.96Å; I68-L120 HydrophobicContact CB-CD1 3.96Å; I68-L120 HydrophobicContact CB-CG 4.39Å; I68-L120 HydrophobicContact CD1-CG 4.49Å; I68-L120 HydrophobicContact CG2-CD1 3.85Å
69	V	94.4	Very high	87.9	Confident	11 Å²	11	38.7 Å²	38.7	7%	0.067	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.8	168.3	60.3	0	0	0	0	110.7	T112 I113 I114 Y139 E140 F142	V69-T112 HydrophobicContact CG2-CG2 3.32Å; V69-I113 CarbonylContact C-O 3.53Å; V69-I113 WeakPolarHBondContact CA-O 3.46Å; V69-I114 HydrophobicContact CB-CG1 4.2Å; V69-I114 HydrophobicContact CG2-CG1 3.93Å; V69-Y139 WeakPolarHBondContact O-CA 3.5Å; V69-E140 HydrophobicContact CG1-CG 3.6Å; V69-E140 PolarHBondContact N-O 2.72Å; V69-E140 PolarHBondContact O-N 3.5Å; V69-F142 HydrophobicContact CB-CB 4.06Å; V69-F142 HydrophobicContact CB-CD2 4.03Å; V69-F142 HydrophobicContact CB-CG 4.49Å; V69-F142 HydrophobicContact CG1-CB 4.15Å; V69-F142 HydrophobicContact CG1-CD2 4.24Å
70	L	96.1	Very high	87.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.9	172.2	-51.7	-177.4	0	0	0	109.4	I68 F72 I90 T112 I113 L120 I122 L137 R138	I68-L70 HydrophobicContact CG2-CD2 3.92Å; L70-F72 HydrophobicContact CB-CE2 4.39Å; L70-I90 HydrophobicContact CD1-CG2 3.91Å; L70-T112 WeakPolarHBondContact O-CA 3.37Å; L70-I113 HydrophobicContact CB-CB 4.4Å; L70-I113 PolarHBondContact N-O 2.83Å; L70-I113 PolarHBondContact O-N 2.92Å; L70-I113 VanDerWaalsContact O-N 3.11Å; L70-L120 HydrophobicContact CD1-CD1 3.68Å; L70-L120 HydrophobicContact CD2-CD1 3.96Å; L70-L120 HydrophobicContact CG-CD1 3.55Å; L70-I122 HydrophobicContact CD1-CD1 3.64Å; L70-I122 HydrophobicContact CD1-CG1 4.14Å; L70-I122 HydrophobicContact CD2-CD1 4.13Å; L70-L137 HydrophobicContact CD2-CD1 4.03Å; L70-R138 WeakPolarHBondContact CA-O 3.42Å
71	N	92.4	Very high	86.8	Confident	53 Å²	53	45.3 Å²	45.3	28%	0.283	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.5	176.5	-73	-60	0	0	0	109.7	T112 L137 R138	N71-T112 VanDerWaalsContact OD1-CG2 3.24Å; N71-T112 WeakPolarHBondContact OD1-CG2 3.44Å; N71-T112 PolarHBondContact OD1-OG1 2.65Å; N71-L137 CarbonylContact O-C 3.57Å; N71-L137 WeakPolarHBondContact O-CA 3.36Å; N71-R138 PolarHBondContact N-O 2.97Å; N71-R138 PolarHBondContact O-N 3.47Å
72	F	95.5	Very high	86.5	Confident	23 Å²	23	52.7 Å²	52.7	10%	0.101	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.1	-179.5	-75.9	-94.7	0	0	0	112.6	L70 F76 I88 I90 A109 P110 I113 F135 L137	L70-F72 HydrophobicContact CB-CE2 4.39Å; F72-F76 HydrophobicContact CD1-CD2 4.46Å; F72-I88 HydrophobicContact CE1-CD1 3.77Å; F72-I88 HydrophobicContact CZ-CD1 3.99Å; F72-I90 HydrophobicContact CZ-CD1 4.08Å; F72-I90 HydrophobicContact CZ-CG1 4.42Å; F72-A109 HydrophobicContact CB-CB 4.05Å; F72-P110 HydrophobicContact CD1-CG 3.96Å; F72-P110 HydrophobicContact CD2-CB 3.66Å; F72-P110 HydrophobicContact CD2-CG 3.84Å; F72-P110 HydrophobicContact CE1-CG 3.92Å; F72-P110 HydrophobicContact CE2-CB 3.76Å; F72-P110 HydrophobicContact CE2-CG 3.81Å; F72-P110 HydrophobicContact CG-CB 4.14Å; F72-P110 HydrophobicContact CG-CG 3.93Å; F72-P110 HydrophobicContact CZ-CB 4.31Å; F72-P110 HydrophobicContact CZ-CG 3.85Å; F72-I113 HydrophobicContact CE2-CD1 4.36Å; F72-F135 HydrophobicContact CE1-CD2 4.23Å; F72-L137 HydrophobicContact CD1-CB 3.76Å; F72-L137 HydrophobicContact CD1-CD2 4.34Å; F72-L137 HydrophobicContact CD2-CB 4.41Å; F72-L137 HydrophobicContact CE1-CB 3.86Å; F72-L137 HydrophobicContact CE1-CD2 3.56Å; F72-L137 HydrophobicContact CE1-CG 4.34Å; F72-L137 HydrophobicContact CE2-CB 4.48Å; F72-L137 HydrophobicContact CE2-CD2 4.29Å; F72-L137 HydrophobicContact CG-CB 4.06Å; F72-L137 HydrophobicContact CZ-CB 4.22Å; F72-L137 HydrophobicContact CZ-CD2 3.52Å
73	N	92	Very high	86.9	Confident	64 Å²	64	51.5 Å²	51.5	34%	0.342	26%	0.263	S	S	.	.			trans	-71.7	129.1	169.9	-171.7	-27.9	0	0	0	109.3	Y45 H75 S136	Y45-N73 PolarHBondContact OH-ND2 2.92Å; N73-H75 PolarHBondContact O-N 2.8Å; N73-H75 VanDerWaalsContact O-N 3.08Å; N73-H75 PolarHBondContact OD1-N 2.85Å; N73-S136 VanDerWaalsContact CB-O 3.3Å; N73-S136 WeakPolarHBondContact CB-O 3.17Å; N73-S136 PolarHBondContact N-O 2.69Å
74	P	90.9	Very high	87.6	Confident	115 Å²	115	54 Å²	54	75%	0.747	27%	0.273	S	S	*	.	S	Bend	trans	-57.6	-20.3	175.6	-27.2	36.1	0	0	0	114.9	F76	P74-F76 PolarHBondContact O-N 2.85Å; P74-F76 VanDerWaalsContact O-N 3.15Å
75	H	92.7	Very high	88.7	Confident	95 Å²	95	56.8 Å²	56.8	44%	0.44	28%	0.279	S	S	.	.			trans	-80.7	87.7	168.1	-172.6	51.2	0	0	0	110.2	Y45 N73	Y45-H75 PolarHBondContact OH-O 2.89Å; N73-H75 PolarHBondContact O-N 2.8Å; N73-H75 VanDerWaalsContact O-N 3.08Å; N73-H75 PolarHBondContact OD1-N 2.85Å
76	F	95.3	Very high	90	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.022	28%	0.276	C	S	.	.			trans	-128.7	130.9	-177.4	179.5	-87.1	0	0	0	109.4	F72 P74 I78 I88 H104 G106 N107 I108 A109 P110 G134 F135	F72-F76 HydrophobicContact CD1-CD2 4.46Å; P74-F76 PolarHBondContact O-N 2.85Å; P74-F76 VanDerWaalsContact O-N 3.15Å; F76-I78 HydrophobicContact CE1-CD1 4.29Å; F76-I78 HydrophobicContact CE1-CG1 4.32Å; F76-I78 HydrophobicContact CE2-CD1 3.82Å; F76-I78 HydrophobicContact CE2-CG1 4.43Å; F76-I78 HydrophobicContact CZ-CD1 3.57Å; F76-I78 HydrophobicContact CZ-CG1 4.08Å; F76-I88 HydrophobicContact CE2-CG2 4.08Å; F76-I88 HydrophobicContact CZ-CG2 4.11Å; F76-H104 HydrophobicContact CZ-CB 4.3Å; F76-G106 VanDerWaalsContact CD1-O 3.22Å; F76-G106 WeakPolarHBondContact CD1-O 3.35Å; F76-G106 WeakPolarHBondContact CE1-O 3.46Å; F76-N107 WeakPolarHBondContact O-CA 3.34Å; F76-I108 WeakPolarHBondContact CD1-O 3.43Å; F76-I108 WeakPolarHBondContact CE1-O 3.02Å; F76-A109 HydrophobicContact CB-CB 3.89Å; F76-A109 HydrophobicContact CG-CB 4.3Å; F76-P110 HydrophobicContact CE2-CG 4.4Å; F76-G134 CarbonylContact C-O 3.56Å; F76-G134 WeakPolarHBondContact CA-O 3.37Å; F76-F135 HydrophobicContact CD2-CB 3.55Å; F76-F135 HydrophobicContact CE2-CB 3.68Å
77	E	95.3	Very high	90.9	Very high	78 Å²	78	54.9 Å²	54.9	36%	0.364	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-153.3	103.9	179.3	-177.4	153.4	-121.4	0	0	111.9	G106 N107 A133 G134	E77-G106 WeakPolarHBondContact CA-O 3.38Å; E77-N107 VanDerWaalsContact CG-ND2 3.3Å; E77-N107 WeakPolarHBondContact CG-ND2 3.48Å; E77-N107 PolarHBondContact OE1-ND2 3.04Å; E77-A133 HydrophobicContact CB-CB 4.35Å; E77-G134 PolarHBondContact N-O 2.79Å; E77-G134 WeakPolarHBondContact O-CA 3.47Å; E77-G134 PolarHBondContact O-N 3.27Å
78	I	93.4	Very high	91.4	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-125.4	153.7	175.3	-61	180	0	0	0	108.7	Y49 F76 D86 I88 C105 G106 F124 F135	Y49-I78 HydrophobicContact CE1-CG1 4.31Å; F76-I78 HydrophobicContact CE1-CD1 4.29Å; F76-I78 HydrophobicContact CE1-CG1 4.32Å; F76-I78 HydrophobicContact CE2-CD1 3.82Å; F76-I78 HydrophobicContact CE2-CG1 4.43Å; F76-I78 HydrophobicContact CZ-CD1 3.57Å; F76-I78 HydrophobicContact CZ-CG1 4.08Å; I78-D86 HydrophobicContact CG2-CB 3.59Å; I78-I88 HydrophobicContact CD1-CB 4.32Å; I78-I88 HydrophobicContact CD1-CG2 4.27Å; I78-C105 HydrophobicContact CB-CB 4.31Å; I78-C105 HydrophobicContact CG2-CB 3.93Å; I78-G106 PolarHBondContact N-O 2.75Å; I78-G106 CarbonylContact O-C 3.59Å; I78-G106 WeakPolarHBondContact O-CA 3.4Å; I78-G106 PolarHBondContact O-N 2.87Å; I78-F124 HydrophobicContact CD1-CD2 4.35Å; I78-F124 HydrophobicContact CD1-CE2 4.02Å; I78-F124 HydrophobicContact CG1-CE2 4.49Å; I78-F135 HydrophobicContact CD1-CD1 4.29Å
79	E	91.4	Very high	91.5	Very high	19 Å²	19	54.7 Å²	54.7	9%	0.089	27%	0.269	C	S	.	.			trans	-53.6	140.5	-179	-139.4	-91.6	170.5	0	0	112.9	Y49 H81 D86 C105 R130	Y49-E79 PolarHBondContact OH-N 2.76Å; E79-H81 IonicContact OE1-CE1 3.17Å; E79-H81 PolarHBondContact OE1-CE1 3.14Å; E79-H81 IonicContact OE1-ND1 2.7Å; E79-H81 PolarHBondContact OE1-ND1 2.82Å; E79-H81 IonicContact OE2-CE1 3.79Å; E79-H81 IonicContact OE2-CG 2.75Å; E79-H81 PolarHBondContact OE2-N 2.88Å; E79-H81 IonicContact OE2-ND1 3.65Å; E79-H81 PolarHBondContact OE2-ND1 2.95Å; E79-D86 HydrophobicContact CB-CB 3.76Å; E79-D86 WeakPolarHBondContact CB-OD2 3.47Å; E79-C105 VanDerWaalsContact O-CB 3.3Å; E79-C105 WeakPolarHBondContact O-CB 3.28Å; E79-R130 HydrophobicContact CG-CB 3.91Å; E79-R130 WeakPolarHBondContact OE1-CD 3.4Å; E79-R130 IonicContact OE1-CZ 3.41Å; E79-R130 IonicContact OE1-NE 2.68Å; E79-R130 IonicContact OE1-NH1 2.73Å; E79-R130 PolarHBondContact OE1-NH1 2.86Å
80	K	82.2	Confident	91.7	Very high	130 Å²	130	54.2 Å²	54.2	57%	0.565	27%	0.266	S	S	*	.			trans	-92.4	-9	-158.2	-91.4	-177.9	-177.9	157.3	0	117.4	D82 N107	K80-D82 VanDerWaalsContact C-N 3.32Å; K80-D82 PolarHBondContact O-N 2.91Å; K80-N107 WeakPolarHBondContact CE-OD1 3.26Å; K80-N107 PolarHBondContact NZ-OD1 2.82Å
81	H	81.9	Confident	91.6	Very high	86 Å²	86	56.4 Å²	56.4	40%	0.398	28%	0.275	S	S	.	.	S	Bend	trans	-80.7	79.3	-161.2	-60.4	72.8	0	0	0	112	E79 C83 K84 Y85 R130	E79-H81 IonicContact OE1-CE1 3.17Å; E79-H81 PolarHBondContact OE1-CE1 3.14Å; E79-H81 IonicContact OE1-ND1 2.7Å; E79-H81 PolarHBondContact OE1-ND1 2.82Å; E79-H81 IonicContact OE2-CE1 3.79Å; E79-H81 IonicContact OE2-CG 2.75Å; E79-H81 PolarHBondContact OE2-N 2.88Å; E79-H81 IonicContact OE2-ND1 3.65Å; E79-H81 PolarHBondContact OE2-ND1 2.95Å; H81-C83 PolarHBondContact O-N 3.46Å; H81-C83 VanDerWaalsContact O-N 3.08Å; H81-K84 WeakPolarHBondContact O-CB 3.4Å; H81-K84 PolarHBondContact O-N 2.87Å; H81-Y85 HydrophobicContact CB-CD2 3.88Å; H81-Y85 HydrophobicContact CB-CE2 3.74Å; H81-R130 PolarHBondContact CE1-NH1 3.35Å; H81-R130 PolarHBondContact NE2-NH1 2.94Å
82	D	82.4	Confident	91.4	Very high	160 Å²	160	55.5 Å²	55.5	86%	0.856	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	33.2	178.9	-55.2	-38.8	0	0	0	113.5	K80 K84	K80-D82 VanDerWaalsContact C-N 3.32Å; K80-D82 PolarHBondContact O-N 2.91Å; D82-K84 PolarHBondContact O-N 2.84Å; D82-K84 VanDerWaalsContact O-N 3.14Å
83	C	88	Confident	91	Very high	25 Å²	25	55.4 Å²	55.4	17%	0.169	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	35.3	-177.2	-46.6	0	0	0	0	113.6	H81 F87 K103 C105	H81-C83 PolarHBondContact O-N 3.46Å; H81-C83 VanDerWaalsContact O-N 3.08Å; C83-F87 HydrophobicContact CB-CB 4.2Å; C83-F87 WeakPolarHBondContact O-CD1 3.24Å; C83-K103 PolarHBondContact O-NZ 2.76Å; C83-C105 WeakPolarHBondContact CA-SG 3.35Å; C83-C105 HydrophobicContact CB-CB 3.76Å; C83-C105 WeakPolarHBondContact CB-SG 3.35Å; C83-C105 PolarHBondContact N-SG 2.9Å; C83-C105 WeakPolarHBondContact SG-CB 3.31Å; C83-C105 PolarHBondContact SG-N 2.98Å; C83-C105 CovalentContact SG-SG 2.05Å; C83-C105 PolarHBondContact SG-SG 2.8Å
84	K	88.4	Confident	90.7	Very high	144 Å²	144	55.9 Å²	55.9	63%	0.626	28%	0.278	S	S	*	.	S	Bend	trans	-87.3	-34.6	-176.1	-173.3	-176.5	175	-165.7	0	113.8	H81 D82	H81-K84 WeakPolarHBondContact O-CB 3.4Å; H81-K84 PolarHBondContact O-N 2.87Å; D82-K84 PolarHBondContact O-N 2.84Å; D82-K84 VanDerWaalsContact O-N 3.14Å
85	Y	87.8	Confident	90.2	Very high	88 Å²	88	52.2 Å²	52.2	35%	0.345	26%	0.255	S	S	.	.	S	Bend	trans	-101.1	-77.2	-177.9	-51.9	-64.4	0	0	0	109.2	H81 F87	H81-Y85 HydrophobicContact CB-CD2 3.88Å; H81-Y85 HydrophobicContact CB-CE2 3.74Å; Y85-F87 WeakPolarHBondContact O-CD1 3.3Å
86	D	93.7	Very high	89.8	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	-94.5	140.2	176.1	-59.3	-7.6	0	0	0	111.4	Y49 I78 E79 T125 S126 D127	Y49-D86 WeakPolarHBondContact CE2-OD2 3.21Å; Y49-D86 VanDerWaalsContact CZ-OD2 3.23Å; Y49-D86 PolarHBondContact OH-OD2 3.24Å; I78-D86 HydrophobicContact CG2-CB 3.59Å; E79-D86 HydrophobicContact CB-CB 3.76Å; E79-D86 WeakPolarHBondContact CB-OD2 3.47Å; D86-T125 WeakPolarHBondContact CA-O 3.03Å; D86-S126 WeakPolarHBondContact OD1-CA 3.39Å; D86-S126 WeakPolarHBondContact OD1-CB 3.35Å; D86-S126 PolarHBondContact OD1-OG 2.81Å; D86-S126 PolarHBondContact OD2-OG 3.07Å; D86-D127 PolarHBondContact OD1-N 2.85Å
87	F	95.4	Very high	89.1	Confident	25 Å²	25	57 Å²	57	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	157.8	178.2	53.2	-92.6	0	0	0	112.7	C83 Y85 E89 K103 H104 F124 T125	C83-F87 HydrophobicContact CB-CB 4.2Å; C83-F87 WeakPolarHBondContact O-CD1 3.24Å; Y85-F87 WeakPolarHBondContact O-CD1 3.3Å; F87-E89 HydrophobicContact CD2-CB 4.17Å; F87-E89 HydrophobicContact CE2-CB 4.35Å; F87-K103 HydrophobicContact CB-CG 4.3Å; F87-K103 HydrophobicContact CD2-CD 4.34Å; F87-K103 HydrophobicContact CD2-CG 4.23Å; F87-K103 HydrophobicContact CG-CD 4.43Å; F87-K103 HydrophobicContact CG-CG 4.43Å; F87-H104 WeakPolarHBondContact CA-O 3.38Å; F87-F124 WeakPolarHBondContact O-CA 3.18Å; F87-F124 VanDerWaalsContact O-CD2 3.28Å; F87-F124 WeakPolarHBondContact O-CD2 3.49Å; F87-T125 HydrophobicContact CE1-CG2 3.93Å; F87-T125 HydrophobicContact CZ-CG2 3.94Å; F87-T125 PolarHBondContact N-O 2.89Å; F87-T125 PolarHBondContact O-N 2.86Å
88	I	96.9	Very high	88.5	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.6	155.9	-166	-179.9	0	0	0	109.6	F72 F76 I78 I90 K103 H104 I122 K123 F135 L137	F72-I88 HydrophobicContact CE1-CD1 3.77Å; F72-I88 HydrophobicContact CZ-CD1 3.99Å; F76-I88 HydrophobicContact CE2-CG2 4.08Å; F76-I88 HydrophobicContact CZ-CG2 4.11Å; I78-I88 HydrophobicContact CD1-CB 4.32Å; I78-I88 HydrophobicContact CD1-CG2 4.27Å; I88-I90 HydrophobicContact CD1-CD1 4.44Å; I88-I90 HydrophobicContact CG1-CD1 4.28Å; I88-I90 HydrophobicContact CG2-CD1 4.33Å; I88-K103 WeakPolarHBondContact O-CA 3.37Å; I88-H104 HydrophobicContact CG2-CB 3.96Å; I88-H104 PolarHBondContact N-O 2.9Å; I88-H104 PolarHBondContact O-N 2.83Å; I88-I122 HydrophobicContact CD1-CG2 3.86Å; I88-I122 HydrophobicContact CG1-CG2 4.07Å; I88-K123 CarbonylContact C-O 3.58Å; I88-K123 WeakPolarHBondContact CA-O 3.44Å; I88-K123 WeakPolarHBondContact CG1-O 3.38Å; I88-F135 HydrophobicContact CD1-CD1 4.16Å; I88-F135 HydrophobicContact CD1-CD2 3.74Å; I88-F135 HydrophobicContact CD1-CE1 3.99Å; I88-F135 HydrophobicContact CD1-CE2 3.54Å; I88-F135 HydrophobicContact CD1-CG 4.05Å; I88-F135 HydrophobicContact CD1-CZ 3.67Å; I88-F135 HydrophobicContact CG1-CE1 4.46Å; I88-F135 HydrophobicContact CG1-CZ 4.44Å; I88-L137 HydrophobicContact CD1-CD2 4.27Å
89	E	96.2	Very high	88.1	Confident	22 Å²	22	60.1 Å²	60.1	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.9	-179.3	-162.7	169	123.1	0	0	109.2	F87 R91 L100 G102 K103 I122 K123	F87-E89 HydrophobicContact CD2-CB 4.17Å; F87-E89 HydrophobicContact CE2-CB 4.35Å; E89-R91 IonicContact OE1-CZ 3.04Å; E89-R91 VanDerWaalsContact OE1-CZ 3.23Å; E89-R91 IonicContact OE1-NE 3.69Å; E89-R91 PolarHBondContact OE1-NE 2.89Å; E89-R91 IonicContact OE1-NH2 2.86Å; E89-R91 PolarHBondContact OE1-NH2 3.06Å; E89-L100 HydrophobicContact CG-CD1 3.41Å; E89-L100 VanDerWaalsContact CG-CD1 3.41Å; E89-G102 WeakPolarHBondContact CA-O 3.44Å; E89-K103 HydrophobicContact CB-CG 4.38Å; E89-K103 HydrophobicContact CG-CB 4.44Å; E89-K103 HydrophobicContact CG-CG 4.22Å; E89-K103 VanDerWaalsContact OE2-CE 3.24Å; E89-K103 WeakPolarHBondContact OE2-CE 3.38Å; E89-I122 CarbonylContact O-C 3.54Å; E89-I122 WeakPolarHBondContact O-CA 3.25Å; E89-K123 HydrophobicContact CB-CB 4.43Å; E89-K123 PolarHBondContact N-O 2.82Å; E89-K123 PolarHBondContact O-N 2.83Å
90	I	97.3	Very high	88	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	-177.7	-55.4	90.8	0	0	0	109	L70 F72 I88 L101 G102 I113 Y121 I122	L70-I90 HydrophobicContact CD1-CG2 3.91Å; F72-I90 HydrophobicContact CZ-CD1 4.08Å; F72-I90 HydrophobicContact CZ-CG1 4.42Å; I88-I90 HydrophobicContact CD1-CD1 4.44Å; I88-I90 HydrophobicContact CG1-CD1 4.28Å; I88-I90 HydrophobicContact CG2-CD1 4.33Å; I90-L101 HydrophobicContact CG2-CB 4.48Å; I90-L101 HydrophobicContact CG2-CD1 4.35Å; I90-L101 PolarHBondContact O-N 3.4Å; I90-G102 PolarHBondContact N-O 2.95Å; I90-G102 PolarHBondContact O-N 2.75Å; I90-I113 HydrophobicContact CB-CD1 4.06Å; I90-I113 HydrophobicContact CD1-CD1 4.05Å; I90-I113 HydrophobicContact CG1-CD1 4.08Å; I90-I113 HydrophobicContact CG2-CD1 4.1Å; I90-I113 HydrophobicContact CG2-CG2 4.33Å; I90-Y121 WeakPolarHBondContact CA-O 3.46Å; I90-I122 HydrophobicContact CG1-CG2 4.5Å; I90-I122 HydrophobicContact CG2-CG1 4.4Å
91	R	94.6	Very high	88.4	Confident	47 Å²	47	60.5 Å²	60.5	18%	0.177	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.4	-177.4	-65.1	175.7	175	-95.5	2.7	112.4	E89 G93 E96 A98 D99 L100 L120 Y121	E89-R91 IonicContact OE1-CZ 3.04Å; E89-R91 VanDerWaalsContact OE1-CZ 3.23Å; E89-R91 IonicContact OE1-NE 3.69Å; E89-R91 PolarHBondContact OE1-NE 2.89Å; E89-R91 IonicContact OE1-NH2 2.86Å; E89-R91 PolarHBondContact OE1-NH2 3.06Å; R91-G93 PolarHBondContact O-N 2.98Å; R91-E96 WeakPolarHBondContact CD-O 3.48Å; R91-E96 PolarHBondContact NE-O 2.85Å; R91-E96 PolarHBondContact NH1-O 2.92Å; R91-A98 HydrophobicContact CB-CB 4.11Å; R91-A98 WeakPolarHBondContact CD-O 3.49Å; R91-A98 PolarHBondContact NH1-O 3.16Å; R91-D99 CarbonylContact C-O 3.56Å; R91-D99 WeakPolarHBondContact CA-O 3.41Å; R91-D99 WeakPolarHBondContact CB-O 3.36Å; R91-L100 HydrophobicContact CG-CD1 4.16Å; R91-L120 WeakPolarHBondContact O-CD2 3.29Å; R91-Y121 HydrophobicContact CB-CD1 4.36Å; R91-Y121 PolarHBondContact N-O 2.85Å; R91-Y121 PolarHBondContact O-N 2.74Å
92	D	89.2	Confident	88.6	Confident	33 Å²	33	57 Å²	57	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	88.5	-174.9	-148.6	1.9	0	0	0	111.3	D99 L101 S115 S116	D92-D99 PolarHBondContact N-O 3.41Å; D92-L101 HydrophobicContact CB-CD1 3.75Å; D92-L101 HydrophobicContact CB-CD2 3.87Å; D92-L101 HydrophobicContact CB-CG 3.76Å; D92-S115 VanDerWaalsContact OD1-CA 3.24Å; D92-S115 WeakPolarHBondContact OD1-CA 3.45Å; D92-S115 VanDerWaalsContact OD1-CB 3.23Å; D92-S115 WeakPolarHBondContact OD1-CB 3.29Å; D92-S116 PolarHBondContact OD1-N 2.97Å; D92-S116 PolarHBondContact OD1-OG 2.87Å; D92-S116 WeakPolarHBondContact OD2-CB 3.07Å; D92-S116 PolarHBondContact OD2-N 2.78Å; D92-S116 PolarHBondContact OD2-OG 2.84Å
93	G	86.1	Confident	89.2	Confident	21 Å²	21	52.9 Å²	52.9	22%	0.216	28%	0.279	C	S	.	.	S	Bend	trans	147.3	-152.6	-169.9	0	0	0	0	0	112.4	R91 M119 L120 Y121	R91-G93 PolarHBondContact O-N 2.98Å; G93-M119 PolarHBondContact N-O 2.8Å; G93-M119 CarbonylContact O-C 3.6Å; G93-M119 VanDerWaalsContact O-C 3.3Å; G93-L120 CarbonylContact O-C 3.49Å; G93-L120 VanDerWaalsContact O-CA 3.27Å; G93-L120 WeakPolarHBondContact O-CA 3.41Å; G93-L120 PolarHBondContact O-N 2.8Å; G93-Y121 PolarHBondContact O-N 3.33Å
94	D	84.9	Confident	89.5	Confident	74 Å²	74	53.8 Å²	53.8	40%	0.396	28%	0.281	S	S	.	.	S	Bend	trans	-117.1	0.6	-171.2	77	-29	0	0	0	114.9	I58 M119	I58-D94 WeakPolarHBondContact CD1-O 3.29Å; I58-D94 WeakPolarHBondContact CG1-O 3.46Å; I58-D94 HydrophobicContact CG2-CB 4.41Å; D94-M119 HydrophobicContact CB-SD 3.99Å
95	S	81.5	Confident	89.7	Confident	39 Å²	39	48 Å²	48	27%	0.273	26%	0.258	S	S	.	.	S	Bend	trans	-150.9	167.1	-163.6	47.6	0	0	0	0	114.1	S97 A98	S95-S97 PolarHBondContact O-N 2.84Å; S95-A98 VanDerWaalsContact O-CB 3.29Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 2.9Å
96	E	83.4	Confident	89.9	Confident	103 Å²	103	44 Å²	44	48%	0.481	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.1	179.1	-64.2	-158.8	122.8	0	0	114.4	R91 Y121 K123	R91-E96 WeakPolarHBondContact CD-O 3.48Å; R91-E96 PolarHBondContact NE-O 2.85Å; R91-E96 PolarHBondContact NH1-O 2.92Å; E96-Y121 HydrophobicContact CG-CE1 3.85Å; E96-Y121 WeakPolarHBondContact CG-OH 3.37Å; E96-K123 WeakPolarHBondContact OE1-CD 3.41Å; E96-K123 WeakPolarHBondContact OE1-CE 3.37Å; E96-K123 IonicContact OE1-NZ 3.87Å; E96-K123 PolarHBondContact OE1-NZ 3.14Å
97	S	81.9	Confident	89.9	Confident	96 Å²	96	47.2 Å²	47.2	67%	0.671	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.4	177.1	50.5	0	0	0	0	113.6	S95	S95-S97 PolarHBondContact O-N 2.84Å
98	A	81.6	Confident	89.7	Confident	15 Å²	15	52.7 Å²	52.7	12%	0.124	29%	0.29	C	S	.	.	S	Bend	trans	-69.9	158.3	175	0	0	0	0	0	112.7	R91 S95	R91-A98 HydrophobicContact CB-CB 4.11Å; R91-A98 WeakPolarHBondContact CD-O 3.49Å; R91-A98 PolarHBondContact NH1-O 3.16Å; S95-A98 VanDerWaalsContact O-CB 3.29Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 2.9Å
99	D	84.9	Confident	89.4	Confident	134 Å²	134	54 Å²	54	72%	0.717	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	136.1	-171.7	-82.5	-47.4	0	0	0	113.2	R91 D92 L101	R91-D99 CarbonylContact C-O 3.56Å; R91-D99 WeakPolarHBondContact CA-O 3.41Å; R91-D99 WeakPolarHBondContact CB-O 3.36Å; D92-D99 PolarHBondContact N-O 3.41Å; D99-L101 PolarHBondContact O-N 2.94Å
100	L	90.6	Very high	89.2	Confident	89 Å²	89	53.4 Å²	53.4	47%	0.466	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	100.3	-174.4	-179.6	63.9	0	0	0	111.9	E89 R91	E89-L100 HydrophobicContact CG-CD1 3.41Å; E89-L100 VanDerWaalsContact CG-CD1 3.41Å; R91-L100 HydrophobicContact CG-CD1 4.16Å
101	L	88.9	Confident	88.7	Confident	69 Å²	69	57.9 Å²	57.9	36%	0.361	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-32.7	173.7	-62.9	178.5	0	0	0	112.3	I90 D92 D99 I113 L120	I90-L101 HydrophobicContact CG2-CB 4.48Å; I90-L101 HydrophobicContact CG2-CD1 4.35Å; I90-L101 PolarHBondContact O-N 3.4Å; D92-L101 HydrophobicContact CB-CD1 3.75Å; D92-L101 HydrophobicContact CB-CD2 3.87Å; D92-L101 HydrophobicContact CB-CG 3.76Å; D99-L101 PolarHBondContact O-N 2.94Å; L101-I113 HydrophobicContact CB-CG2 4.31Å; L101-I113 HydrophobicContact CD1-CG2 3.58Å; L101-L120 HydrophobicContact CD1-CD2 3.62Å
102	G	87.9	Confident	88.4	Confident	11 Å²	11	59.6 Å²	59.6	11%	0.113	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	151.6	175.1	0	0	0	0	0	115.2	E89 I90 H104	E89-G102 WeakPolarHBondContact CA-O 3.44Å; I90-G102 PolarHBondContact N-O 2.95Å; I90-G102 PolarHBondContact O-N 2.75Å; G102-H104 WeakPolarHBondContact CA-NE2 3.5Å
103	K	93.8	Very high	88.5	Confident	75 Å²	75	58.9 Å²	58.9	33%	0.326	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.6	171.7	-163	-173.3	-165.7	-153.4	0	108.8	C83 F87 I88 E89	C83-K103 PolarHBondContact O-NZ 2.76Å; F87-K103 HydrophobicContact CB-CG 4.3Å; F87-K103 HydrophobicContact CD2-CD 4.34Å; F87-K103 HydrophobicContact CD2-CG 4.23Å; F87-K103 HydrophobicContact CG-CD 4.43Å; F87-K103 HydrophobicContact CG-CG 4.43Å; I88-K103 WeakPolarHBondContact O-CA 3.37Å; E89-K103 HydrophobicContact CB-CG 4.38Å; E89-K103 HydrophobicContact CG-CB 4.44Å; E89-K103 HydrophobicContact CG-CG 4.22Å; E89-K103 VanDerWaalsContact OE2-CE 3.24Å; E89-K103 WeakPolarHBondContact OE2-CE 3.38Å
104	H	93.7	Very high	88.6	Confident	44 Å²	44	61.3 Å²	61.3	20%	0.204	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147	-165	-54.5	-82.4	0	0	0	113.2	F76 F87 I88 G102 P110	F76-H104 HydrophobicContact CZ-CB 4.3Å; F87-H104 WeakPolarHBondContact CA-O 3.38Å; I88-H104 HydrophobicContact CG2-CB 3.96Å; I88-H104 PolarHBondContact N-O 2.9Å; I88-H104 PolarHBondContact O-N 2.83Å; G102-H104 WeakPolarHBondContact CA-NE2 3.5Å; H104-P110 HydrophobicContact CB-CG 3.87Å
105	C	93.6	Very high	88.9	Confident	22 Å²	22	58 Å²	58	15%	0.149	33%	0.33	C	S	.	.			trans	-160	-179.2	177	68.9	0	0	0	0	109.9	I78 E79 C83	I78-C105 HydrophobicContact CB-CB 4.31Å; I78-C105 HydrophobicContact CG2-CB 3.93Å; E79-C105 VanDerWaalsContact O-CB 3.3Å; E79-C105 WeakPolarHBondContact O-CB 3.28Å; C83-C105 WeakPolarHBondContact CA-SG 3.35Å; C83-C105 HydrophobicContact CB-CB 3.76Å; C83-C105 WeakPolarHBondContact CB-SG 3.35Å; C83-C105 PolarHBondContact N-SG 2.9Å; C83-C105 WeakPolarHBondContact SG-CB 3.31Å; C83-C105 PolarHBondContact SG-N 2.98Å; C83-C105 CovalentContact SG-SG 2.05Å; C83-C105 PolarHBondContact SG-SG 2.8Å
106	G	92.8	Very high	88.8	Confident	5 Å²	5	59.7 Å²	59.7	5%	0.052	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	83.1	-153.7	-177.7	0	0	0	0	0	114.2	F76 E77 I78	F76-G106 VanDerWaalsContact CD1-O 3.22Å; F76-G106 WeakPolarHBondContact CD1-O 3.35Å; F76-G106 WeakPolarHBondContact CE1-O 3.46Å; E77-G106 WeakPolarHBondContact CA-O 3.38Å; I78-G106 PolarHBondContact N-O 2.75Å; I78-G106 CarbonylContact O-C 3.59Å; I78-G106 WeakPolarHBondContact O-CA 3.4Å; I78-G106 PolarHBondContact O-N 2.87Å
107	N	93.2	Very high	88.6	Confident	67 Å²	67	56.2 Å²	56.2	36%	0.358	33%	0.333	S	S	.	.	S	Bend	trans	-107.2	19.1	-175.8	-65	110.8	0	0	0	114.1	F76 E77 K80	F76-N107 WeakPolarHBondContact O-CA 3.34Å; E77-N107 VanDerWaalsContact CG-ND2 3.3Å; E77-N107 WeakPolarHBondContact CG-ND2 3.48Å; E77-N107 PolarHBondContact OE1-ND2 3.04Å; K80-N107 WeakPolarHBondContact CE-OD1 3.26Å; K80-N107 PolarHBondContact NZ-OD1 2.82Å
108	I	90.6	Very high	88.8	Confident	141 Å²	141	52.3 Å²	52.3	72%	0.723	31%	0.306	S	S	*	.	S	Bend	trans	-118.2	112.5	179.5	-59.2	178.6	0	0	0	107	F76	F76-I108 WeakPolarHBondContact CD1-O 3.43Å; F76-I108 WeakPolarHBondContact CE1-O 3.02Å
109	A	90.3	Very high	89.2	Confident	27 Å²	27	54.5 Å²	54.5	22%	0.223	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-58.5	141.5	174.6	0	0	0	0	0	110.4	F72 F76	F72-A109 HydrophobicContact CB-CB 4.05Å; F76-A109 HydrophobicContact CB-CB 3.89Å; F76-A109 HydrophobicContact CG-CB 4.3Å
110	P	92.4	Very high	89.7	Confident	10 Å²	10	48.1 Å²	48.1	7%	0.065	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-55.6	153.5	171.4	-22.4	31.4	0	0	0	112	F72 F76 H104	F72-P110 HydrophobicContact CD1-CG 3.96Å; F72-P110 HydrophobicContact CD2-CB 3.66Å; F72-P110 HydrophobicContact CD2-CG 3.84Å; F72-P110 HydrophobicContact CE1-CG 3.92Å; F72-P110 HydrophobicContact CE2-CB 3.76Å; F72-P110 HydrophobicContact CE2-CG 3.81Å; F72-P110 HydrophobicContact CG-CB 4.14Å; F72-P110 HydrophobicContact CG-CG 3.93Å; F72-P110 HydrophobicContact CZ-CB 4.31Å; F72-P110 HydrophobicContact CZ-CG 3.85Å; F76-P110 HydrophobicContact CE2-CG 4.4Å; H104-P110 HydrophobicContact CB-CG 3.87Å
111	P	87.6	Confident	90	Very high	94 Å²	94	44.4 Å²	44.4	61%	0.61	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-62.2	169.9	168	30.9	-36.2	0	0	0	110.8	I113	P111-I113 PolarHBondContact O-N 2.61Å
112	T	87.8	Confident	90.4	Very high	83 Å²	83	41.1 Å²	41.1	51%	0.509	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-57.7	123.3	167.4	-62	0	0	0	0	109.7	V69 L70 N71 I114	V69-T112 HydrophobicContact CG2-CG2 3.32Å; L70-T112 WeakPolarHBondContact O-CA 3.37Å; N71-T112 VanDerWaalsContact OD1-CG2 3.24Å; N71-T112 WeakPolarHBondContact OD1-CG2 3.44Å; N71-T112 PolarHBondContact OD1-OG1 2.65Å; T112-I114 HydrophobicContact CG2-CG1 4.41Å
113	I	91.2	Very high	90.8	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.087	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.6	176	-63.8	174.6	0	0	0	107.9	V69 L70 F72 I90 L101 P111	V69-I113 CarbonylContact C-O 3.53Å; V69-I113 WeakPolarHBondContact CA-O 3.46Å; L70-I113 HydrophobicContact CB-CB 4.4Å; L70-I113 PolarHBondContact N-O 2.83Å; L70-I113 PolarHBondContact O-N 2.92Å; L70-I113 VanDerWaalsContact O-N 3.11Å; F72-I113 HydrophobicContact CE2-CD1 4.36Å; I90-I113 HydrophobicContact CB-CD1 4.06Å; I90-I113 HydrophobicContact CD1-CD1 4.05Å; I90-I113 HydrophobicContact CG1-CD1 4.08Å; I90-I113 HydrophobicContact CG2-CD1 4.1Å; I90-I113 HydrophobicContact CG2-CG2 4.33Å; L101-I113 HydrophobicContact CB-CG2 4.31Å; L101-I113 HydrophobicContact CD1-CG2 3.58Å; P111-I113 PolarHBondContact O-N 2.61Å
114	I	88.9	Confident	90.9	Very high	73 Å²	73	38.3 Å²	38.3	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.8	172.9	-55.7	166.7	0	0	0	106.9	K67 I68 V69 T112 F142	K67-I114 HydrophobicContact CB-CG2 4.43Å; I68-I114 WeakPolarHBondContact O-CA 2.98Å; V69-I114 HydrophobicContact CB-CG1 4.2Å; V69-I114 HydrophobicContact CG2-CG1 3.93Å; T112-I114 HydrophobicContact CG2-CG1 4.41Å; I114-F142 HydrophobicContact CD1-CD2 3.96Å; I114-F142 HydrophobicContact CD1-CE2 3.61Å; I114-F142 HydrophobicContact CD1-CZ 3.94Å; I114-F142 HydrophobicContact CG1-CD2 4.25Å; I114-F142 HydrophobicContact CG1-CE2 4.4Å; I114-F142 HydrophobicContact CG2-CB 4.29Å; I114-F142 HydrophobicContact CG2-CD1 4.09Å; I114-F142 HydrophobicContact CG2-CD2 4.37Å; I114-F142 HydrophobicContact CG2-CG 3.98Å
115	S	89.6	Confident	90.9	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.035	22%	0.224	C	C	.	.			trans	-73	153.2	175.7	57.2	0	0	0	0	112.7	I68 D92 G117	I68-S115 PolarHBondContact N-OG 3.29Å; I68-S115 PolarHBondContact O-N 3.1Å; I68-S115 PolarHBondContact O-OG 2.85Å; D92-S115 VanDerWaalsContact OD1-CA 3.24Å; D92-S115 WeakPolarHBondContact OD1-CA 3.45Å; D92-S115 VanDerWaalsContact OD1-CB 3.23Å; D92-S115 WeakPolarHBondContact OD1-CB 3.29Å; S115-G117 VanDerWaalsContact CB-O 3.3Å; S115-G117 WeakPolarHBondContact CB-O 3.11Å; S115-G117 PolarHBondContact OG-O 3.04Å
116	S	79.9	Confident	90.9	Very high	73 Å²	73	36.4 Å²	36.4	51%	0.51	22%	0.218	S	C	.	.	S	Bend	trans	-74.2	-41.3	166.5	58.5	0	0	0	0	111.6	K67 D92	K67-S116 WeakPolarHBondContact CD-O 3.34Å; K67-S116 WeakPolarHBondContact CE-O 3.12Å; K67-S116 PolarHBondContact NZ-O 2.96Å; D92-S116 PolarHBondContact OD1-N 2.97Å; D92-S116 PolarHBondContact OD1-OG 2.87Å; D92-S116 WeakPolarHBondContact OD2-CB 3.07Å; D92-S116 PolarHBondContact OD2-N 2.78Å; D92-S116 PolarHBondContact OD2-OG 2.84Å
117	G	78.7	Confident	90.7	Very high	30 Å²	30	37.7 Å²	37.7	31%	0.309	22%	0.224	S	C	.	.	S	Bend	trans	-106.2	-157.2	177	0	0	0	0	0	113.9	S115	S115-G117 VanDerWaalsContact CB-O 3.3Å; S115-G117 WeakPolarHBondContact CB-O 3.11Å; S115-G117 PolarHBondContact OG-O 3.04Å
118	S	86.2	Confident	90.4	Very high	15 Å²	15	42.5 Å²	42.5	11%	0.105	24%	0.238	C	C	.	.	S	Bend	trans	-95.1	6.7	-174.9	58.9	0	0	0	0	115.8	Y60 A61 Q66 I68	Y60-S118 WeakPolarHBondContact CA-O 3.42Å; A61-S118 PolarHBondContact N-O 2.88Å; Q66-S118 WeakPolarHBondContact O-CA 3.19Å; I68-S118 VanDerWaalsContact CD1-O 3.25Å; I68-S118 WeakPolarHBondContact CD1-O 2.96Å
119	M	91.7	Very high	89.7	Confident	61 Å²	61	37.7 Å²	37.7	30%	0.3	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.4	-177.3	-55.4	-165.6	-169.2	0	0	112.2	V59 G93 D94	V59-M119 CarbonylContact O-C 3.4Å; V59-M119 VanDerWaalsContact O-CA 3.3Å; V59-M119 WeakPolarHBondContact O-CA 3.3Å; G93-M119 PolarHBondContact N-O 2.8Å; G93-M119 CarbonylContact O-C 3.6Å; G93-M119 VanDerWaalsContact O-C 3.3Å; D94-M119 HydrophobicContact CB-SD 3.99Å
120	L	95.4	Very high	89.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.1	171.2	-73.1	176.6	0	0	0	110.7	I58 V59 I68 L70 R91 G93 L101	I58-L120 WeakPolarHBondContact CA-O 3.01Å; V59-L120 PolarHBondContact N-O 2.86Å; V59-L120 PolarHBondContact O-N 2.88Å; I68-L120 HydrophobicContact CB-CD1 3.96Å; I68-L120 HydrophobicContact CB-CG 4.39Å; I68-L120 HydrophobicContact CD1-CG 4.49Å; I68-L120 HydrophobicContact CG2-CD1 3.85Å; L70-L120 HydrophobicContact CD1-CD1 3.68Å; L70-L120 HydrophobicContact CD2-CD1 3.96Å; L70-L120 HydrophobicContact CG-CD1 3.55Å; R91-L120 WeakPolarHBondContact O-CD2 3.29Å; G93-L120 CarbonylContact O-C 3.49Å; G93-L120 VanDerWaalsContact O-CA 3.27Å; G93-L120 WeakPolarHBondContact O-CA 3.41Å; G93-L120 PolarHBondContact O-N 2.8Å; L101-L120 HydrophobicContact CD1-CD2 3.62Å
121	Y	95.9	Very high	88.9	Confident	11 Å²	11	46.7 Å²	46.7	4%	0.043	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.6	171.5	177.9	-91.1	0	0	0	109.3	E56 I58 I90 R91 G93 E96 K123	E56-Y121 HydrophobicContact CB-CE2 4.31Å; E56-Y121 WeakPolarHBondContact CG-OH 3.42Å; E56-Y121 PolarHBondContact OE2-OH 3.1Å; I58-Y121 HydrophobicContact CG1-CD2 3.94Å; I90-Y121 WeakPolarHBondContact CA-O 3.46Å; R91-Y121 HydrophobicContact CB-CD1 4.36Å; R91-Y121 PolarHBondContact N-O 2.85Å; R91-Y121 PolarHBondContact O-N 2.74Å; G93-Y121 PolarHBondContact O-N 3.33Å; E96-Y121 HydrophobicContact CG-CE1 3.85Å; E96-Y121 WeakPolarHBondContact CG-OH 3.37Å; Y121-K123 HydrophobicContact CE1-CB 3.76Å; Y121-K123 HydrophobicContact CE1-CD 4.41Å
122	I	97.2	Very high	89	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.7	-176.4	-56.1	169.2	0	0	0	108.1	I40 E56 W57 V59 L70 I88 E89 I90 L137	I40-I122 HydrophobicContact CD1-CD1 3.78Å; E56-I122 WeakPolarHBondContact CA-O 3.48Å; W57-I122 HydrophobicContact CB-CB 4.41Å; W57-I122 HydrophobicContact CE3-CG2 4.27Å; W57-I122 PolarHBondContact N-O 2.64Å; W57-I122 PolarHBondContact O-N 2.8Å; V59-I122 HydrophobicContact CG2-CD1 3.93Å; L70-I122 HydrophobicContact CD1-CD1 3.64Å; L70-I122 HydrophobicContact CD1-CG1 4.14Å; L70-I122 HydrophobicContact CD2-CD1 4.13Å; I88-I122 HydrophobicContact CD1-CG2 3.86Å; I88-I122 HydrophobicContact CG1-CG2 4.07Å; E89-I122 CarbonylContact O-C 3.54Å; E89-I122 WeakPolarHBondContact O-CA 3.25Å; I90-I122 HydrophobicContact CG1-CG2 4.5Å; I90-I122 HydrophobicContact CG2-CG1 4.4Å; I122-L137 HydrophobicContact CD1-CD2 4.25Å
123	K	95.9	Very high	89.2	Confident	27 Å²	27	38.9 Å²	38.9	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134	177.6	179.6	163.5	-172.2	144.7	0	110.9	C55 E56 I88 E89 E96 Y121	C55-K123 CarbonylContact O-C 3.56Å; C55-K123 WeakPolarHBondContact O-CA 3.22Å; E56-K123 HydrophobicContact CG-CB 4.41Å; E56-K123 HydrophobicContact CG-CD 4.15Å; E56-K123 HydrophobicContact CG-CG 4.03Å; E56-K123 WeakPolarHBondContact OE1-CE 3.32Å; E56-K123 IonicContact OE1-NZ 2.82Å; E56-K123 PolarHBondContact OE1-NZ 2.64Å; I88-K123 CarbonylContact C-O 3.58Å; I88-K123 WeakPolarHBondContact CA-O 3.44Å; I88-K123 WeakPolarHBondContact CG1-O 3.38Å; E89-K123 HydrophobicContact CB-CB 4.43Å; E89-K123 PolarHBondContact N-O 2.82Å; E89-K123 PolarHBondContact O-N 2.83Å; E96-K123 WeakPolarHBondContact OE1-CD 3.41Å; E96-K123 WeakPolarHBondContact OE1-CE 3.37Å; E96-K123 IonicContact OE1-NZ 3.87Å; E96-K123 PolarHBondContact OE1-NZ 3.14Å; Y121-K123 HydrophobicContact CE1-CB 3.76Å; Y121-K123 HydrophobicContact CE1-CD 4.41Å
124	F	96.4	Very high	89.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.4	168	173.1	-110.2	0	0	0	109.4	Y49 Q53 N54 C55 W57 I78 F87 F135	Y49-F124 AromaticContact CD1-CZ 3.91Å; Y49-F124 HydrophobicContact CD1-CZ 3.91Å; Y49-F124 HydrophobicContact CD2-CE1 4.32Å; Y49-F124 AromaticContact CD2-CZ 3.76Å; Y49-F124 HydrophobicContact CD2-CZ 3.76Å; Y49-F124 HydrophobicContact CE1-CZ 4.18Å; Y49-F124 HydrophobicContact CE2-CZ 4.03Å; Y49-F124 HydrophobicContact CG-CE1 4.23Å; Y49-F124 AromaticContact CG-CZ 3.69Å; Y49-F124 HydrophobicContact CG-CZ 3.69Å; Q53-F124 HydrophobicContact CB-CE1 4.31Å; N54-F124 CarbonylContact C-O 3.56Å; N54-F124 WeakPolarHBondContact CA-O 3.44Å; C55-F124 HydrophobicContact CB-CB 4.35Å; C55-F124 PolarHBondContact N-O 3.12Å; C55-F124 PolarHBondContact O-N 2.85Å; W57-F124 HydrophobicContact CH2-CB 4.43Å; W57-F124 HydrophobicContact CZ3-CB 3.92Å; I78-F124 HydrophobicContact CD1-CD2 4.35Å; I78-F124 HydrophobicContact CD1-CE2 4.02Å; I78-F124 HydrophobicContact CG1-CE2 4.49Å; F87-F124 WeakPolarHBondContact O-CA 3.18Å; F87-F124 VanDerWaalsContact O-CD2 3.28Å; F87-F124 WeakPolarHBondContact O-CD2 3.49Å; F124-F135 HydrophobicContact CB-CE1 3.81Å; F124-F135 HydrophobicContact CB-CZ 4.28Å; F124-F135 HydrophobicContact CD1-CE1 4.38Å; F124-F135 HydrophobicContact CD2-CD1 4.11Å; F124-F135 AromaticContact CD2-CE1 3.73Å; F124-F135 HydrophobicContact CD2-CE1 3.73Å; F124-F135 HydrophobicContact CE2-CD1 4.49Å; F124-F135 HydrophobicContact CE2-CE1 4.44Å; F124-F135 AromaticContact CG-CE1 3.71Å; F124-F135 HydrophobicContact CG-CE1 3.71Å
125	T	94.2	Very high	89.7	Confident	22 Å²	22	34.6 Å²	34.6	14%	0.135	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.7	178.4	-69.6	0	0	0	0	109.4	Q53 N54 D86 F87	Q53-T125 CarbonylContact O-C 3.52Å; Q53-T125 WeakPolarHBondContact O-CA 3.46Å; N54-T125 WeakPolarHBondContact OD1-CB 3.41Å; N54-T125 WeakPolarHBondContact OD1-CG2 3.46Å; N54-T125 PolarHBondContact OD1-OG1 2.84Å; D86-T125 WeakPolarHBondContact CA-O 3.03Å; F87-T125 HydrophobicContact CE1-CG2 3.93Å; F87-T125 HydrophobicContact CZ-CG2 3.94Å; F87-T125 PolarHBondContact N-O 2.89Å; F87-T125 PolarHBondContact O-N 2.86Å
126	S	92.8	Very high	90.1	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.181	C	C	.	.			trans	-136.1	144.6	169.6	175.8	0	0	0	0	112.8	Y49 H52 Q53 D86	Y49-S126 WeakPolarHBondContact CE2-OG 3.18Å; H52-S126 VanDerWaalsContact CA-O 3.27Å; H52-S126 WeakPolarHBondContact CA-O 2.98Å; H52-S126 PolarHBondContact N-O 2.68Å; Q53-S126 PolarHBondContact N-O 3.33Å; Q53-S126 PolarHBondContact O-N 3.37Å; D86-S126 WeakPolarHBondContact OD1-CA 3.39Å; D86-S126 WeakPolarHBondContact OD1-CB 3.35Å; D86-S126 PolarHBondContact OD1-OG 2.81Å; D86-S126 PolarHBondContact OD2-OG 3.07Å
127	D	88.6	Confident	90.9	Very high	31 Å²	31	31.4 Å²	31.4	17%	0.166	16%	0.157	C	C	.	.			trans	-88.5	-160.7	-177.3	112.4	-34.1	0	0	0	112.9	S51 H52 D86 A129	S51-D127 CarbonylContact C-O 3.55Å; S51-D127 WeakPolarHBondContact CA-O 3.35Å; S51-D127 WeakPolarHBondContact CB-O 2.93Å; H52-D127 PolarHBondContact N-O 3.41Å; D86-D127 PolarHBondContact OD1-N 2.85Å; D127-A129 PolarHBondContact OD1-N 2.91Å
128	Y	86.3	Confident	91.7	Very high	169 Å²	169	33.7 Å²	33.7	66%	0.663	16%	0.157	S	C	*	.	S	Bend	trans	-84.1	-14.3	-176.7	65.5	-86.3	0	0	0	115.5	H52	H52-Y128 WeakPolarHBondContact NE2-CB 3.49Å
129	A	77.6	Confident	92.2	Very high	39 Å²	39	34 Å²	34	32%	0.322	16%	0.156	S	C	.	.	S	Bend	trans	-152.1	128.2	-167.2	0	0	0	0	0	116.4	D127	D127-A129 PolarHBondContact OD1-N 2.91Å
130	R	78.1	Confident	92.1	Very high	149 Å²	149	33.6 Å²	33.6	56%	0.562	15%	0.153	S	C	*	.			trans	76.1	136.7	-173.5	-51.7	155.7	171.4	170.4	-4.1	111.4	E79 H81	E79-R130 HydrophobicContact CG-CB 3.91Å; E79-R130 WeakPolarHBondContact OE1-CD 3.4Å; E79-R130 IonicContact OE1-CZ 3.41Å; E79-R130 IonicContact OE1-NE 2.68Å; E79-R130 IonicContact OE1-NH1 2.73Å; E79-R130 PolarHBondContact OE1-NH1 2.86Å; H81-R130 PolarHBondContact CE1-NH1 3.35Å; H81-R130 PolarHBondContact NE2-NH1 2.94Å
131	Q	86.3	Confident	91.8	Very high	78 Å²	78	35.2 Å²	35.2	36%	0.364	16%	0.161	S	C	.	.			trans	-144.6	175.6	-175.5	-57.5	95.7	-32.4	0	0	107.5	D48 Y49 S51	D48-Q131 HydrophobicContact CB-CB 4.19Å; Y49-Q131 HydrophobicContact CD2-CB 3.86Å; Y49-Q131 HydrophobicContact CD2-CG 3.88Å; Y49-Q131 HydrophobicContact CE2-CB 3.68Å; Y49-Q131 HydrophobicContact CE2-CG 3.77Å; Y49-Q131 HydrophobicContact CG-CB 4.45Å; Y49-Q131 WeakPolarHBondContact O-CB 3.16Å; Y49-Q131 VanDerWaalsContact O-CG 3.25Å; Y49-Q131 WeakPolarHBondContact O-CG 3.37Å; S51-Q131 VanDerWaalsContact CB-NE2 3.33Å; S51-Q131 PolarHBondContact OG-NE2 2.85Å
132	G	89.7	Confident	91.1	Very high	4 Å²	4	38.4 Å²	38.4	4%	0.041	18%	0.175	C	C	.	.			trans	-158.9	-179	174.1	0	0	0	0	0	110.8	D48 Y49 G134	D48-G132 VanDerWaalsContact CA-O 3.3Å; D48-G132 WeakPolarHBondContact CA-O 3.49Å; D48-G132 VanDerWaalsContact OD1-C 3.22Å; D48-G132 VanDerWaalsContact OD1-CA 3.31Å; D48-G132 WeakPolarHBondContact OD1-CA 3.46Å; Y49-G132 WeakPolarHBondContact CD1-O 3.47Å; Y49-G132 WeakPolarHBondContact CE1-O 3.19Å; Y49-G132 PolarHBondContact N-O 2.87Å; G132-G134 PolarHBondContact O-N 2.79Å
133	A	92.3	Very high	89.4	Confident	8 Å²	8	47.3 Å²	47.3	7%	0.066	21%	0.214	C	C	.	.	S	Bend	trans	-55.6	-19.2	-173.3	0	0	0	0	0	114.6	Y45 D48 E77	Y45-A133 WeakPolarHBondContact CD2-O 3.27Å; D48-A133 PolarHBondContact OD1-N 2.92Å; E77-A133 HydrophobicContact CB-CB 4.35Å
134	G	95.2	Very high	87.4	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	90	-140	167.2	0	0	0	0	0	113.4	S42 F76 E77 G132	S42-G134 WeakPolarHBondContact OG-CA 3.46Å; F76-G134 CarbonylContact C-O 3.56Å; F76-G134 WeakPolarHBondContact CA-O 3.37Å; E77-G134 PolarHBondContact N-O 2.79Å; E77-G134 WeakPolarHBondContact O-CA 3.47Å; E77-G134 PolarHBondContact O-N 3.27Å; G132-G134 PolarHBondContact O-N 2.79Å
135	F	96.6	Very high	85	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.			trans	-136	153.5	179.7	76	-85.9	0	0	0	112.5	I40 T41 S42 Y45 W57 F72 F76 I78 I88 F124 L137	I40-F135 HydrophobicContact CG2-CE2 3.95Å; I40-F135 HydrophobicContact CG2-CZ 4.19Å; T41-F135 CarbonylContact C-O 3.53Å; T41-F135 WeakPolarHBondContact CA-O 3.32Å; T41-F135 WeakPolarHBondContact CB-O 3.31Å; S42-F135 PolarHBondContact N-O 3.44Å; S42-F135 PolarHBondContact OG-N 3.35Å; S42-F135 PolarHBondContact OG-O 3.4Å; Y45-F135 WeakPolarHBondContact CD2-O 3.21Å; W57-F135 HydrophobicContact CH2-CZ 4.02Å; W57-F135 AromaticContact CZ3-CZ 3.96Å; W57-F135 HydrophobicContact CZ3-CZ 3.96Å; F72-F135 HydrophobicContact CE1-CD2 4.23Å; F76-F135 HydrophobicContact CD2-CB 3.55Å; F76-F135 HydrophobicContact CE2-CB 3.68Å; I78-F135 HydrophobicContact CD1-CD1 4.29Å; I88-F135 HydrophobicContact CD1-CD1 4.16Å; I88-F135 HydrophobicContact CD1-CD2 3.74Å; I88-F135 HydrophobicContact CD1-CE1 3.99Å; I88-F135 HydrophobicContact CD1-CE2 3.54Å; I88-F135 HydrophobicContact CD1-CG 4.05Å; I88-F135 HydrophobicContact CD1-CZ 3.67Å; I88-F135 HydrophobicContact CG1-CE1 4.46Å; I88-F135 HydrophobicContact CG1-CZ 4.44Å; F124-F135 HydrophobicContact CB-CE1 3.81Å; F124-F135 HydrophobicContact CB-CZ 4.28Å; F124-F135 HydrophobicContact CD1-CE1 4.38Å; F124-F135 HydrophobicContact CD2-CD1 4.11Å; F124-F135 AromaticContact CD2-CE1 3.73Å; F124-F135 HydrophobicContact CD2-CE1 3.73Å; F124-F135 HydrophobicContact CE2-CD1 4.49Å; F124-F135 HydrophobicContact CE2-CE1 4.44Å; F124-F135 AromaticContact CG-CE1 3.71Å; F124-F135 HydrophobicContact CG-CE1 3.71Å; F135-L137 HydrophobicContact CD2-CD2 4.22Å; F135-L137 HydrophobicContact CE2-CD2 3.96Å; F135-L137 HydrophobicContact CE2-CG 4.44Å
136	S	96.8	Very high	83	Confident	10 Å²	10	52.4 Å²	52.4	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.5	162.2	173.3	0	0	0	0	108.2	I40 Y45 N73	I40-S136 WeakPolarHBondContact O-CA 3.43Å; Y45-S136 VanDerWaalsContact CE1-CB 3.43Å; Y45-S136 VanDerWaalsContact CZ-CB 3.49Å; N73-S136 VanDerWaalsContact CB-O 3.3Å; N73-S136 WeakPolarHBondContact CB-O 3.17Å; N73-S136 PolarHBondContact N-O 2.69Å
137	L	96.5	Very high	81.4	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.6	171.9	69.8	85.3	0	0	0	109.8	Y39 I40 L70 N71 F72 I88 I122 F135 Y139	Y39-L137 CarbonylContact C-O 3.55Å; Y39-L137 VanDerWaalsContact CA-O 3.25Å; Y39-L137 WeakPolarHBondContact CA-O 3.31Å; Y39-L137 WeakPolarHBondContact CD1-O 3.34Å; I40-L137 HydrophobicContact CB-CD1 4.02Å; I40-L137 HydrophobicContact CB-CD2 4.45Å; I40-L137 HydrophobicContact CB-CG 4.01Å; I40-L137 HydrophobicContact CD1-CD1 4.24Å; I40-L137 HydrophobicContact CG1-CD1 4.3Å; I40-L137 PolarHBondContact N-O 3.22Å; I40-L137 PolarHBondContact O-N 2.67Å; L70-L137 HydrophobicContact CD2-CD1 4.03Å; N71-L137 CarbonylContact O-C 3.57Å; N71-L137 WeakPolarHBondContact O-CA 3.36Å; F72-L137 HydrophobicContact CD1-CB 3.76Å; F72-L137 HydrophobicContact CD1-CD2 4.34Å; F72-L137 HydrophobicContact CD2-CB 4.41Å; F72-L137 HydrophobicContact CE1-CB 3.86Å; F72-L137 HydrophobicContact CE1-CD2 3.56Å; F72-L137 HydrophobicContact CE1-CG 4.34Å; F72-L137 HydrophobicContact CE2-CB 4.48Å; F72-L137 HydrophobicContact CE2-CD2 4.29Å; F72-L137 HydrophobicContact CG-CB 4.06Å; F72-L137 HydrophobicContact CZ-CB 4.22Å; F72-L137 HydrophobicContact CZ-CD2 3.52Å; I88-L137 HydrophobicContact CD1-CD2 4.27Å; I122-L137 HydrophobicContact CD1-CD2 4.25Å; F135-L137 HydrophobicContact CD2-CD2 4.22Å; F135-L137 HydrophobicContact CE2-CD2 3.96Å; F135-L137 HydrophobicContact CE2-CG 4.44Å; L137-Y139 HydrophobicContact CD1-CD1 4.47Å
138	R	96.2	Very high	80.3	Confident	79 Å²	79	64.7 Å²	64.7	30%	0.298	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132	170	-170.6	176.2	174.1	-108.7	-15.8	108.7	G38 Y39 L70 N71 E140	G38-R138 CarbonylContact O-C 3.59Å; G38-R138 WeakPolarHBondContact O-CA 3.42Å; G38-R138 WeakPolarHBondContact O-CG 3.35Å; Y39-R138 HydrophobicContact CD1-CB 3.9Å; Y39-R138 HydrophobicContact CD1-CG 4.28Å; Y39-R138 HydrophobicContact CE1-CB 3.69Å; Y39-R138 HydrophobicContact CE1-CG 3.95Å; Y39-R138 HydrophobicContact CE2-CG 4.24Å; L70-R138 WeakPolarHBondContact CA-O 3.42Å; N71-R138 PolarHBondContact N-O 2.97Å; N71-R138 PolarHBondContact O-N 3.47Å; R138-E140 IonicContact CZ-OE1 2.81Å; R138-E140 IonicContact CZ-OE2 3.92Å; R138-E140 IonicContact NH1-OE1 3.54Å; R138-E140 PolarHBondContact NH1-OE1 3.44Å; R138-E140 IonicContact NH1-OE2 2.69Å; R138-E140 PolarHBondContact NH1-OE2 2.99Å; R138-E140 IonicContact NH2-OE1 3.76Å; R138-E140 IonicContact NH2-OE2 3.67Å; R138-E140 PolarHBondContact NH2-OE2 2.82Å
139	Y	95.9	Very high	80.2	Confident	22 Å²	22	57.4 Å²	57.4	9%	0.086	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.9	171.2	61.8	-95	0	0	0	110.2	L32 A37 G38 I40 V59 V69 L137	L32-Y139 HydrophobicContact CB-CE1 4.44Å; L32-Y139 HydrophobicContact CB-CE2 4.45Å; L32-Y139 HydrophobicContact CD1-CE1 3.75Å; A37-Y139 CarbonylContact C-O 3.59Å; A37-Y139 WeakPolarHBondContact CA-O 3.3Å; G38-Y139 VanDerWaalsContact C-CE1 3.41Å; G38-Y139 VanDerWaalsContact CA-CZ 3.48Å; G38-Y139 PolarHBondContact N-O 2.8Å; G38-Y139 PolarHBondContact O-N 2.84Å; I40-Y139 HydrophobicContact CD1-CD1 4.14Å; I40-Y139 HydrophobicContact CD1-CE1 4.37Å; I40-Y139 HydrophobicContact CG1-CD1 3.88Å; I40-Y139 HydrophobicContact CG1-CE1 3.84Å; V59-Y139 HydrophobicContact CG1-CD2 3.73Å; V59-Y139 HydrophobicContact CG1-CE2 4.37Å; V59-Y139 HydrophobicContact CG1-CG 3.91Å; V59-Y139 HydrophobicContact CG2-CD1 4.33Å; V59-Y139 HydrophobicContact CG2-CG 4.26Å; V69-Y139 WeakPolarHBondContact O-CA 3.5Å; L137-Y139 HydrophobicContact CD1-CD1 4.47Å
140	E	91.3	Very high	80.8	Confident	51 Å²	51	57.3 Å²	57.3	24%	0.238	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.2	170.3	63.4	-162	140.9	0	0	110.9	S34 A37 V69 R138 F142	S34-E140 VanDerWaalsContact OG-C 3.27Å; A37-E140 HydrophobicContact CB-CB 3.61Å; V69-E140 HydrophobicContact CG1-CG 3.6Å; V69-E140 PolarHBondContact N-O 2.72Å; V69-E140 PolarHBondContact O-N 3.5Å; R138-E140 IonicContact CZ-OE1 2.81Å; R138-E140 IonicContact CZ-OE2 3.92Å; R138-E140 IonicContact NH1-OE1 3.54Å; R138-E140 PolarHBondContact NH1-OE1 3.44Å; R138-E140 IonicContact NH1-OE2 2.69Å; R138-E140 PolarHBondContact NH1-OE2 2.99Å; R138-E140 IonicContact NH2-OE1 3.76Å; R138-E140 IonicContact NH2-OE2 3.67Å; R138-E140 PolarHBondContact NH2-OE2 2.82Å; E140-F142 PolarHBondContact O-N 2.68Å
141	I	88.8	Confident	81.3	Confident	34 Å²	34	54.9 Å²	54.9	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	120.8	172.3	-70.2	153.8	0	0	0	109.9	S34 A61 Q66 K143	S34-I141 VanDerWaalsContact O-CD1 3.32Å; S34-I141 WeakPolarHBondContact O-CD1 3.45Å; S34-I141 WeakPolarHBondContact O-CG1 3.43Å; S34-I141 PolarHBondContact OG-N 2.87Å; A61-I141 HydrophobicContact CB-CG1 4.3Å; Q66-I141 HydrophobicContact CB-CG1 4.31Å; Q66-I141 HydrophobicContact CB-CG2 3.8Å; Q66-I141 HydrophobicContact CG-CG2 3.74Å; I141-K143 HydrophobicContact CG2-CG 4.31Å; I141-K143 PolarHBondContact O-N 2.66Å
142	F	81.4	Confident	81.6	Confident	78 Å²	78	56.7 Å²	56.7	34%	0.342	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.5	166.7	-172.1	-98.7	0	0	0	109.1	K67 V69 I114 E140 T144	K67-F142 HydrophobicContact CB-CB 4.28Å; K67-F142 WeakPolarHBondContact O-CB 3.16Å; K67-F142 PolarHBondContact O-N 2.98Å; V69-F142 HydrophobicContact CB-CB 4.06Å; V69-F142 HydrophobicContact CB-CD2 4.03Å; V69-F142 HydrophobicContact CB-CG 4.49Å; V69-F142 HydrophobicContact CG1-CB 4.15Å; V69-F142 HydrophobicContact CG1-CD2 4.24Å; I114-F142 HydrophobicContact CD1-CD2 3.96Å; I114-F142 HydrophobicContact CD1-CE2 3.61Å; I114-F142 HydrophobicContact CD1-CZ 3.94Å; I114-F142 HydrophobicContact CG1-CD2 4.25Å; I114-F142 HydrophobicContact CG1-CE2 4.4Å; I114-F142 HydrophobicContact CG2-CB 4.29Å; I114-F142 HydrophobicContact CG2-CD1 4.09Å; I114-F142 HydrophobicContact CG2-CD2 4.37Å; I114-F142 HydrophobicContact CG2-CG 3.98Å; E140-F142 PolarHBondContact O-N 2.68Å; F142-T144 HydrophobicContact CD1-CG2 4.48Å; F142-T144 HydrophobicContact CE1-CG2 4.39Å; F142-T144 PolarHBondContact O-N 2.81Å; F142-T144 VanDerWaalsContact O-N 3.16Å
143	K	61.4	Low	81.8	Confident	187 Å²	187	58 Å²	58	81%	0.813	30%	0.304	S	S	*	.			trans	-83.2	94.3	-177.2	-65.1	-173.5	178.9	-174.7	0	110.5	I141 G145	I141-K143 HydrophobicContact CG2-CG 4.31Å; I141-K143 PolarHBondContact O-N 2.66Å; K143-G145 PolarHBondContact O-N 3.42Å; K143-G145 VanDerWaalsContact O-N 3.1Å
144	T	53.8	Low	82	Confident	43 Å²	43	62.7 Å²	62.7	26%	0.264	33%	0.332	S	S	.	.			trans	-65.2	-8.2	-176.5	-10.6	0	0	0	0	115.1	K67 F142 S146 N172	K67-T144 HydrophobicContact CD-CG2 4.47Å; F142-T144 HydrophobicContact CD1-CG2 4.48Å; F142-T144 HydrophobicContact CE1-CG2 4.39Å; F142-T144 PolarHBondContact O-N 2.81Å; F142-T144 VanDerWaalsContact O-N 3.16Å; T144-S146 VanDerWaalsContact C-N 3.3Å; T144-S146 PolarHBondContact O-N 2.86Å; T144-N172 HydrophobicContact CG2-CB 4.41Å
145	G	46.1	Very low	82	Confident	71 Å²	71	65.2 Å²	65.2	73%	0.732	35%	0.349	S	S	*	.			trans	82.8	0.1	-179	0	0	0	0	0	115	K143 E147	K143-G145 PolarHBondContact O-N 3.42Å; K143-G145 VanDerWaalsContact O-N 3.1Å; G145-E147 PolarHBondContact O-N 3.1Å
146	S	52.4	Low	81.9	Confident	42 Å²	42	69.7 Å²	69.7	29%	0.294	38%	0.379	S	S	.	.			trans	-57	126.9	170.2	-174.6	0	0	0	0	110.8	T144	T144-S146 VanDerWaalsContact C-N 3.3Å; T144-S146 PolarHBondContact O-N 2.86Å
147	E	57.6	Low	81.9	Confident	174 Å²	174	73.6 Å²	73.6	81%	0.813	40%	0.399	S	S	*	.			trans	-70.3	139.1	162.5	-64	-171.4	152.2	0	0	108.1	G145 C149	G145-E147 PolarHBondContact O-N 3.1Å; E147-C149 VanDerWaalsContact C-N 3.33Å; E147-C149 PolarHBondContact O-N 2.83Å
148	D	67.2	Low	81.8	Confident	120 Å²	120	74.7 Å²	74.7	64%	0.642	41%	0.41	S	S	*	.			trans	-68.7	91.1	-175.3	-171.2	11.6	0	0	0	111.5	S150	D148-S150 PolarHBondContact O-N 3.48Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.03Å; D148-S150 PolarHBondContact OD1-OG 2.88Å
149	C	84.1	Confident	81.8	Confident	16 Å²	16	73.8 Å²	73.8	11%	0.108	41%	0.413	C	S	.	.			trans	-78.2	-2.2	-178.7	48.3	0	0	0	0	113.4	E147 P163 C175 F177	E147-C149 VanDerWaalsContact C-N 3.33Å; E147-C149 PolarHBondContact O-N 2.83Å; C149-P163 HydrophobicContact CB-CG 3.89Å; C149-C175 HydrophobicContact CB-CB 3.92Å; C149-C175 WeakPolarHBondContact CB-SG 3.41Å; C149-C175 WeakPolarHBondContact SG-CA 3.32Å; C149-C175 WeakPolarHBondContact SG-CB 3.47Å; C149-C175 CovalentContact SG-SG 2.03Å; C149-C175 PolarHBondContact SG-SG 3.26Å; C149-F177 WeakPolarHBondContact O-CE1 3.39Å
150	S	88.7	Confident	81.9	Confident	36 Å²	36	72.8 Å²	72.8	25%	0.252	41%	0.41	S	S	.	.			trans	-69.6	138.4	-175.9	-46.3	0	0	0	0	111.8	D148 T176	D148-S150 PolarHBondContact O-N 3.48Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.03Å; D148-S150 PolarHBondContact OD1-OG 2.88Å; S150-T176 CarbonylContact C-O 3.58Å; S150-T176 WeakPolarHBondContact CA-O 3.06Å; S150-T176 WeakPolarHBondContact CB-O 3.44Å; S150-T176 PolarHBondContact OG-N 2.68Å
151	K	88.7	Confident	82.1	Confident	98 Å²	98	74.1 Å²	74.1	43%	0.426	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.5	-174.8	-61.2	170.1	-169.4	168.4	0	111.9	F153 T176 F177 T178	K151-F153 HydrophobicContact CB-CD2 4.41Å; K151-F153 HydrophobicContact CB-CE2 3.62Å; K151-F153 HydrophobicContact CB-CZ 3.8Å; K151-F153 HydrophobicContact CD-CZ 4.19Å; K151-F153 WeakPolarHBondContact O-CD2 3.04Å; K151-F153 WeakPolarHBondContact O-CE2 3.2Å; K151-T176 PolarHBondContact N-O 2.62Å; K151-F177 HydrophobicContact CB-CD1 4.15Å; K151-F177 HydrophobicContact CD-CE1 4.29Å; K151-F177 HydrophobicContact CG-CE1 4.49Å; K151-F177 WeakPolarHBondContact O-CA 3.32Å; K151-T178 PolarHBondContact O-N 3.28Å
152	N	92.6	Very high	82.4	Confident	117 Å²	117	72.5 Å²	72.5	63%	0.626	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.4	173	-68.7	-24.1	0	0	0	110.6	T178	N152-T178 CarbonylContact C-O 3.53Å; N152-T178 WeakPolarHBondContact CA-O 3.06Å
153	F	95.1	Very high	82.9	Confident	31 Å²	31	70.2 Å²	70.2	14%	0.136	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.9	-171.8	-66.9	-86.9	0	0	0	111.2	K151 I160 F177 T178 I179 L180 Y264	K151-F153 HydrophobicContact CB-CD2 4.41Å; K151-F153 HydrophobicContact CB-CE2 3.62Å; K151-F153 HydrophobicContact CB-CZ 3.8Å; K151-F153 HydrophobicContact CD-CZ 4.19Å; K151-F153 WeakPolarHBondContact O-CD2 3.04Å; K151-F153 WeakPolarHBondContact O-CE2 3.2Å; F153-I160 HydrophobicContact CD1-CG1 4.46Å; F153-I160 HydrophobicContact CD2-CD1 3.99Å; F153-I160 HydrophobicContact CD2-CG1 4.26Å; F153-I160 HydrophobicContact CE1-CG1 4.08Å; F153-I160 HydrophobicContact CE2-CD1 3.95Å; F153-I160 HydrophobicContact CE2-CG1 3.87Å; F153-I160 HydrophobicContact CE2-CG2 4.22Å; F153-I160 HydrophobicContact CG-CD1 4.44Å; F153-I160 HydrophobicContact CZ-CB 4.37Å; F153-I160 HydrophobicContact CZ-CD1 4.37Å; F153-I160 HydrophobicContact CZ-CG1 3.77Å; F153-I160 HydrophobicContact CZ-CG2 4.26Å; F153-F177 HydrophobicContact CE2-CB 4.12Å; F153-F177 HydrophobicContact CE2-CD1 4.13Å; F153-T178 PolarHBondContact N-O 3.02Å; F153-I179 HydrophobicContact CB-CG1 4.29Å; F153-L180 PolarHBondContact O-N 2.82Å; F153-Y264 HydrophobicContact CB-CE1 3.96Å; F153-Y264 HydrophobicContact CB-CE2 4.41Å; F153-Y264 AromaticContact CD1-CE1 3.69Å; F153-Y264 HydrophobicContact CD1-CE1 3.69Å; F153-Y264 HydrophobicContact CE1-CE1 4.47Å; F153-Y264 HydrophobicContact CG-CE1 4.02Å
154	T	94.9	Very high	84.1	Confident	107 Å²	107	63.9 Å²	63.9	66%	0.656	39%	0.388	S	S	*	.			trans	-132.1	2.3	-177.7	51.6	0	0	0	0	113.7	L180	T154-L180 HydrophobicContact CG2-CB 4.08Å
155	S	95.4	Very high	86	Confident	52 Å²	52	64 Å²	64	36%	0.364	39%	0.385	S	S	.	.	S	Bend	trans	-72.7	150.1	176.5	175	0	0	0	0	110.2	N157 Y264 L266	S155-N157 WeakPolarHBondContact CB-O 3.37Å; S155-N157 PolarHBondContact O-N 2.94Å; S155-N157 VanDerWaalsContact O-N 3.09Å; S155-N157 PolarHBondContact OG-O 3.12Å; S155-Y264 WeakPolarHBondContact CB-OH 3.42Å; S155-Y264 VanDerWaalsContact O-CE2 3.29Å; S155-Y264 WeakPolarHBondContact O-CE2 3.49Å; S155-Y264 PolarHBondContact O-OH 3.18Å; S155-L266 VanDerWaalsContact O-CD1 3.28Å; S155-L266 WeakPolarHBondContact O-CD1 3.44Å
156	P	94.9	Very high	88.3	Confident	94 Å²	94	65.2 Å²	65.2	61%	0.61	38%	0.38	S	S	*	.	S	Bend	trans	-58.1	-21.8	175.2	-25.5	35.7	0	0	0	114.3	L266	P156-L266 PolarHBondContact O-N 3.1Å
157	N	96.9	Very high	90.1	Very high	93 Å²	93	70.2 Å²	70.2	50%	0.497	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	165.2	169.2	59.5	13.1	0	0	0	111.3	S155 Y264 Y265	S155-N157 WeakPolarHBondContact CB-O 3.37Å; S155-N157 PolarHBondContact O-N 2.94Å; S155-N157 VanDerWaalsContact O-N 3.09Å; S155-N157 PolarHBondContact OG-O 3.12Å; N157-Y264 VanDerWaalsContact CA-O 3.29Å; N157-Y264 WeakPolarHBondContact CA-O 3.46Å; N157-Y264 PolarHBondContact O-OH 3.34Å; N157-Y265 HydrophobicContact CB-CD1 3.83Å; N157-Y265 HydrophobicContact CB-CE1 4.38Å
158	G	94.8	Very high	91.5	Very high	23 Å²	23	67.7 Å²	67.7	24%	0.237	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	180	172	0	0	0	0	0	114	R263 Y264	G158-R263 WeakPolarHBondContact O-CA 3.24Å; G158-Y264 VanDerWaalsContact CA-CE1 3.44Å; G158-Y264 PolarHBondContact N-O 2.89Å; G158-Y264 VanDerWaalsContact N-O 3.09Å; G158-Y264 WeakPolarHBondContact O-CD1 3.32Å; G158-Y264 PolarHBondContact O-N 2.71Å
159	T	96.8	Very high	92.6	Very high	60 Å²	60	62.1 Å²	62.1	37%	0.368	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.7	175.9	-51.1	0	0	0	0	109.4	A262	T159-A262 CarbonylContact C-O 3.43Å; T159-A262 VanDerWaalsContact CA-O 3.3Å; T159-A262 WeakPolarHBondContact CA-O 3.25Å; T159-A262 WeakPolarHBondContact CG2-O 3.43Å
160	I	97.4	Very high	92.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.5	171.2	-49.8	-177	0	0	0	106.6	F153 F177 I179 L247 F260 A262 Y264	F153-I160 HydrophobicContact CD1-CG1 4.46Å; F153-I160 HydrophobicContact CD2-CD1 3.99Å; F153-I160 HydrophobicContact CD2-CG1 4.26Å; F153-I160 HydrophobicContact CE1-CG1 4.08Å; F153-I160 HydrophobicContact CE2-CD1 3.95Å; F153-I160 HydrophobicContact CE2-CG1 3.87Å; F153-I160 HydrophobicContact CE2-CG2 4.22Å; F153-I160 HydrophobicContact CG-CD1 4.44Å; F153-I160 HydrophobicContact CZ-CB 4.37Å; F153-I160 HydrophobicContact CZ-CD1 4.37Å; F153-I160 HydrophobicContact CZ-CG1 3.77Å; F153-I160 HydrophobicContact CZ-CG2 4.26Å; I160-F177 HydrophobicContact CG2-CB 3.76Å; I160-F177 HydrophobicContact CG2-CD1 4.01Å; I160-F177 HydrophobicContact CG2-CD2 3.97Å; I160-F177 HydrophobicContact CG2-CG 3.63Å; I160-I179 HydrophobicContact CD1-CD1 3.8Å; I160-I179 HydrophobicContact CD1-CG1 3.78Å; I160-L247 HydrophobicContact CD1-CD1 4.26Å; I160-F260 HydrophobicContact CG2-CE2 4.16Å; I160-A262 PolarHBondContact N-O 2.77Å; I160-A262 PolarHBondContact O-N 2.73Å; I160-Y264 HydrophobicContact CD1-CD1 4.04Å; I160-Y264 HydrophobicContact CG1-CD1 3.98Å; I160-Y264 HydrophobicContact CG1-CE1 4.4Å
161	E	96.1	Very high	92.4	Very high	79 Å²	79	66.8 Å²	66.8	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.9	-172.3	67	-153	161.3	0	0	111.2	F165 F260	E161-F165 HydrophobicContact CB-CB 4.08Å; E161-F165 HydrophobicContact CB-CG 4.38Å; E161-F165 HydrophobicContact CG-CB 4.31Å; E161-F260 VanDerWaalsContact CA-O 3.25Å; E161-F260 WeakPolarHBondContact CA-O 3.48Å
162	S	94.8	Very high	91.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.368	C	S	.	.			trans	-62.6	142.2	174.1	47.1	0	0	0	0	110.9	G164 F165 G259 F260	S162-G164 PolarHBondContact O-N 2.84Å; S162-F165 WeakPolarHBondContact O-CB 3.48Å; S162-F165 PolarHBondContact O-N 2.72Å; S162-F165 VanDerWaalsContact O-N 3.08Å; S162-G259 WeakPolarHBondContact OG-CA 3.47Å; S162-F260 PolarHBondContact N-O 3.28Å; S162-F260 PolarHBondContact OG-N 2.7Å; S162-F260 PolarHBondContact OG-O 3.49Å
163	P	91.9	Very high	91.3	Very high	29 Å²	29	59.4 Å²	59.4	19%	0.188	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	123.5	-179.5	-26	35.6	0	0	0	112.1	C149 P170 L173	C149-P163 HydrophobicContact CB-CG 3.89Å; P163-P170 WeakPolarHBondContact O-CD 3.3Å; P163-L173 HydrophobicContact CB-CD1 4.25Å; P163-L173 HydrophobicContact CG-CD1 3.83Å
164	G	86.6	Confident	90.7	Very high	54 Å²	54	59.1 Å²	59.1	56%	0.557	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-10	-178.9	0	0	0	0	0	115.9	S162 E167	S162-G164 PolarHBondContact O-N 2.84Å; G164-E167 CarbonylContact C-O 3.55Å; G164-E167 WeakPolarHBondContact O-CA 3.25Å; G164-E167 WeakPolarHBondContact O-CB 3.2Å; G164-E167 PolarHBondContact O-N 3.39Å
165	F	93.1	Very high	90.3	Very high	47 Å²	47	54.1 Å²	54.1	21%	0.206	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	135.1	-177.1	-170.5	-90.2	0	0	0	112.9	E161 S162 I193 D258 S261	E161-F165 HydrophobicContact CB-CB 4.08Å; E161-F165 HydrophobicContact CB-CG 4.38Å; E161-F165 HydrophobicContact CG-CB 4.31Å; S162-F165 WeakPolarHBondContact O-CB 3.48Å; S162-F165 PolarHBondContact O-N 2.72Å; S162-F165 VanDerWaalsContact O-N 3.08Å; F165-I193 HydrophobicContact CE2-CB 4.44Å; F165-I193 HydrophobicContact CE2-CG2 4.1Å; F165-I193 HydrophobicContact CZ-CB 4.18Å; F165-I193 HydrophobicContact CZ-CD1 4.07Å; F165-I193 HydrophobicContact CZ-CG2 4.2Å; F165-D258 VanDerWaalsContact CD2-O 3.31Å; F165-D258 WeakPolarHBondContact CD2-O 3.22Å; F165-S261 VanDerWaalsContact CE1-CB 3.49Å
166	P	94.1	Very high	90.1	Very high	95 Å²	95	52.5 Å²	52.5	62%	0.617	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	8	6.9	37.9	-38.2	0	0	0	114.9
167	E	91.1	Very high	90.1	Very high	147 Å²	147	48 Å²	48	69%	0.687	27%	0.27	S	S	*	.	S	Bend	trans	-73.9	162.1	168.7	-60.5	-66.4	158.9	0	0	110.3	G164	G164-E167 CarbonylContact C-O 3.55Å; G164-E167 WeakPolarHBondContact O-CA 3.25Å; G164-E167 WeakPolarHBondContact O-CB 3.2Å; G164-E167 PolarHBondContact O-N 3.39Å
168	K	85.9	Confident	90	Very high	121 Å²	121	44.2 Å²	44.2	53%	0.526	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-59.9	139.9	-177.4	-66.3	-169.1	163.8	-145.7	0	112.9	A256 K257	K168-A256 HydrophobicContact CB-CB 4.16Å; K168-A256 WeakPolarHBondContact CD-O 3.29Å; K168-A256 WeakPolarHBondContact CE-O 3.28Å; K168-A256 PolarHBondContact NZ-O 3.42Å; K168-K257 VanDerWaalsContact CA-O 3.28Å; K168-K257 WeakPolarHBondContact CA-O 3.29Å
169	Y	89.9	Confident	90.2	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-68	147.4	179.2	49.8	-101.3	0	0	0	113	L196 E197 D211 F249 T251 A256 K257 G259	Y169-L196 HydrophobicContact CE1-CG 4.47Å; Y169-E197 PolarHBondContact OH-N 3.07Å; Y169-D211 WeakPolarHBondContact CE2-OD2 3.32Å; Y169-D211 VanDerWaalsContact CZ-OD2 3.23Å; Y169-D211 PolarHBondContact OH-OD2 3.33Å; Y169-F249 AromaticContact CD1-CZ 3.92Å; Y169-F249 HydrophobicContact CD1-CZ 3.92Å; Y169-F249 HydrophobicContact CD2-CZ 4.07Å; Y169-F249 HydrophobicContact CE1-CZ 4.33Å; Y169-F249 HydrophobicContact CE2-CZ 4.47Å; Y169-F249 HydrophobicContact CG-CE1 4.36Å; Y169-F249 AromaticContact CG-CZ 3.76Å; Y169-F249 HydrophobicContact CG-CZ 3.76Å; Y169-T251 HydrophobicContact CD2-CG2 3.46Å; Y169-T251 VanDerWaalsContact CD2-CG2 3.46Å; Y169-T251 HydrophobicContact CE2-CG2 3.61Å; Y169-T251 HydrophobicContact CG-CG2 4.27Å; Y169-A256 HydrophobicContact CD2-CB 3.92Å; Y169-A256 HydrophobicContact CE2-CB 3.92Å; Y169-A256 WeakPolarHBondContact O-CB 3.16Å; Y169-K257 WeakPolarHBondContact CD1-O 3.4Å; Y169-K257 HydrophobicContact CE1-CB 3.74Å; Y169-K257 VanDerWaalsContact CE1-O 3.27Å; Y169-K257 WeakPolarHBondContact CE1-O 3.39Å; Y169-K257 PolarHBondContact N-O 2.9Å; Y169-K257 WeakPolarHBondContact OH-CB 3.42Å; Y169-K257 PolarHBondContact OH-N 3.22Å; Y169-G259 VanDerWaalsContact CD1-CA 3.43Å
170	P	87.3	Confident	90.1	Very high	62 Å²	62	43.4 Å²	43.4	40%	0.403	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-59.4	154.9	168.4	-24.8	31.1	0	0	0	114.7	P163 L173 T251	P163-P170 WeakPolarHBondContact O-CD 3.3Å; P170-L173 HydrophobicContact CB-CD1 3.96Å; P170-L173 HydrophobicContact CB-CD2 4.12Å; P170-L173 HydrophobicContact CB-CG 3.95Å; P170-L173 HydrophobicContact CG-CD1 4.17Å; P170-L173 WeakPolarHBondContact O-CD1 3.48Å; P170-L173 WeakPolarHBondContact O-CG 3.47Å; P170-T251 PolarHBondContact O-OG1 2.98Å
171	H	81.5	Confident	89.9	Confident	88 Å²	88	44.2 Å²	44.2	41%	0.407	24%	0.244	S	C	.	.	S	Bend	trans	-81.4	156.7	172.1	-57.1	-61.1	0	0	0	112	L173 T251 D252 A254	H171-L173 PolarHBondContact O-N 3.07Å; H171-T251 WeakPolarHBondContact CA-OG1 3.39Å; H171-D252 CarbonylContact C-O 3.58Å; H171-D252 WeakPolarHBondContact CA-O 3.36Å; H171-D252 VanDerWaalsContact CB-O 3.28Å; H171-D252 WeakPolarHBondContact CB-O 3.3Å; H171-A254 PolarHBondContact CE1-O 3Å; H171-A254 VanDerWaalsContact ND1-C 3.35Å; H171-A254 PolarHBondContact ND1-N 2.74Å; H171-A254 PolarHBondContact ND1-O 3.01Å
172	N	76.6	Confident	89.7	Confident	48 Å²	48	48.3 Å²	48.3	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	55.8	35.3	-178.8	-54.9	-94.9	0	0	0	113.7	T144 T251 D252 M253	T144-N172 HydrophobicContact CG2-CB 4.41Å; N172-T251 WeakPolarHBondContact CA-O 3.49Å; N172-T251 PolarHBondContact N-O 3.36Å; N172-T251 PolarHBondContact N-OG1 2.93Å; N172-D252 PolarHBondContact N-O 2.98Å; N172-M253 VanDerWaalsContact OD1-CG 3.28Å; N172-M253 WeakPolarHBondContact OD1-CG 3.36Å
173	L	81.9	Confident	89.4	Confident	11 Å²	11	51.7 Å²	51.7	6%	0.058	28%	0.283	C	S	.	.			trans	-82	145	170.9	-69.2	178.7	0	0	0	110.8	P163 P170 H171 F249 H250 T251	P163-L173 HydrophobicContact CB-CD1 4.25Å; P163-L173 HydrophobicContact CG-CD1 3.83Å; P170-L173 HydrophobicContact CB-CD1 3.96Å; P170-L173 HydrophobicContact CB-CD2 4.12Å; P170-L173 HydrophobicContact CB-CG 3.95Å; P170-L173 HydrophobicContact CG-CD1 4.17Å; P170-L173 WeakPolarHBondContact O-CD1 3.48Å; P170-L173 WeakPolarHBondContact O-CG 3.47Å; H171-L173 PolarHBondContact O-N 3.07Å; L173-F249 HydrophobicContact CD1-CD1 4.37Å; L173-F249 HydrophobicContact CD1-CE1 3.88Å; L173-H250 CarbonylContact O-C 3.56Å; L173-H250 WeakPolarHBondContact O-CA 3.23Å; L173-T251 HydrophobicContact CB-CG2 4.15Å; L173-T251 WeakPolarHBondContact CB-OG1 3.32Å; L173-T251 PolarHBondContact N-OG1 2.96Å; L173-T251 PolarHBondContact O-N 3.05Å
174	D	82.8	Confident	89.1	Confident	26 Å²	26	54.9 Å²	54.9	14%	0.139	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	97.4	165.9	-87.7	-67.5	0	0	0	105.1	N65 F249 H250	N65-D174 HydrophobicContact CB-CB 3.22Å; N65-D174 WeakPolarHBondContact CB-O 3.41Å; N65-D174 PolarHBondContact ND2-O 3.24Å; D174-F249 CarbonylContact C-O 3.49Å; D174-F249 WeakPolarHBondContact CA-O 3.29Å; D174-H250 VanDerWaalsContact CG-ND1 3.32Å; D174-H250 IonicContact OD1-CE1 2.72Å; D174-H250 IonicContact OD1-CG 2.66Å; D174-H250 IonicContact OD1-ND1 2.7Å; D174-H250 PolarHBondContact OD1-ND1 3.4Å; D174-H250 IonicContact OD2-CE1 2.89Å; D174-H250 IonicContact OD2-ND1 3.23Å; D174-H250 PolarHBondContact OD2-ND1 3.04Å
175	C	87	Confident	89.4	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	-172.5	-52.9	0	0	0	0	110.9	C149 F177 T248 F249	C149-C175 HydrophobicContact CB-CB 3.92Å; C149-C175 WeakPolarHBondContact CB-SG 3.41Å; C149-C175 WeakPolarHBondContact SG-CA 3.32Å; C149-C175 WeakPolarHBondContact SG-CB 3.47Å; C149-C175 CovalentContact SG-SG 2.03Å; C149-C175 PolarHBondContact SG-SG 3.26Å; C175-F177 HydrophobicContact CB-CE1 4.29Å; C175-F177 HydrophobicContact CB-CE2 3.75Å; C175-F177 HydrophobicContact CB-CZ 3.59Å; C175-T248 WeakPolarHBondContact O-CA 3.47Å; C175-F249 HydrophobicContact CB-CB 4.32Å; C175-F249 PolarHBondContact N-O 3.45Å; C175-F249 PolarHBondContact O-N 2.93Å
176	T	89.8	Confident	89.5	Confident	18 Å²	18	52.3 Å²	52.3	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.9	175	-58.2	0	0	0	0	111.3	P64 S150 K151 P220 L247 T248	P64-T176 WeakPolarHBondContact CG-OG1 3.44Å; S150-T176 CarbonylContact C-O 3.58Å; S150-T176 WeakPolarHBondContact CA-O 3.06Å; S150-T176 WeakPolarHBondContact CB-O 3.44Å; S150-T176 PolarHBondContact OG-N 2.68Å; K151-T176 PolarHBondContact N-O 2.62Å; T176-P220 HydrophobicContact CG2-CG 3.88Å; T176-L247 WeakPolarHBondContact CA-O 3.47Å; T176-T248 HydrophobicContact CG2-CG2 4.38Å
177	F	95.9	Very high	89.7	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.9	177.5	-55.3	-64.2	0	0	0	109.9	C149 K151 F153 I160 C175 S246 L247 F249 F260	C149-F177 WeakPolarHBondContact O-CE1 3.39Å; K151-F177 HydrophobicContact CB-CD1 4.15Å; K151-F177 HydrophobicContact CD-CE1 4.29Å; K151-F177 HydrophobicContact CG-CE1 4.49Å; K151-F177 WeakPolarHBondContact O-CA 3.32Å; F153-F177 HydrophobicContact CE2-CB 4.12Å; F153-F177 HydrophobicContact CE2-CD1 4.13Å; I160-F177 HydrophobicContact CG2-CB 3.76Å; I160-F177 HydrophobicContact CG2-CD1 4.01Å; I160-F177 HydrophobicContact CG2-CD2 3.97Å; I160-F177 HydrophobicContact CG2-CG 3.63Å; C175-F177 HydrophobicContact CB-CE1 4.29Å; C175-F177 HydrophobicContact CB-CE2 3.75Å; C175-F177 HydrophobicContact CB-CZ 3.59Å; F177-S246 CarbonylContact O-C 3.59Å; F177-S246 WeakPolarHBondContact O-CA 3.35Å; F177-L247 HydrophobicContact CB-CB 4.34Å; F177-L247 HydrophobicContact CB-CD1 4.27Å; F177-L247 PolarHBondContact N-O 2.74Å; F177-L247 PolarHBondContact O-N 3.1Å; F177-F249 HydrophobicContact CE2-CB 4.05Å; F177-F260 HydrophobicContact CD2-CZ 4.07Å; F177-F260 HydrophobicContact CE2-CE1 4.38Å; F177-F260 AromaticContact CE2-CZ 3.78Å; F177-F260 HydrophobicContact CE2-CZ 3.78Å
178	T	95.4	Very high	90	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.08	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.1	-173.4	-60.9	0	0	0	0	111.3	K151 N152 F153 L180 I244 S246	K151-T178 PolarHBondContact O-N 3.28Å; N152-T178 CarbonylContact C-O 3.53Å; N152-T178 WeakPolarHBondContact CA-O 3.06Å; F153-T178 PolarHBondContact N-O 3.02Å; T178-L180 HydrophobicContact CG2-CD2 3.82Å; T178-L180 HydrophobicContact CG2-CG 4.09Å; T178-I244 HydrophobicContact CG2-CD1 3.78Å; T178-I244 HydrophobicContact CG2-CG1 3.93Å; T178-S246 WeakPolarHBondContact CG2-OG 3.19Å; T178-S246 PolarHBondContact OG1-OG 3.46Å
179	I	98.1	Very high	90.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.5	172.5	-53.6	164.1	0	0	0	108.3	F153 I160 I187 L189 I244 L245 Y264 L266	F153-I179 HydrophobicContact CB-CG1 4.29Å; I160-I179 HydrophobicContact CD1-CD1 3.8Å; I160-I179 HydrophobicContact CD1-CG1 3.78Å; I179-I187 HydrophobicContact CB-CD1 4.35Å; I179-I187 HydrophobicContact CB-CG2 4.34Å; I179-I187 HydrophobicContact CD1-CG2 3.9Å; I179-I187 HydrophobicContact CG2-CD1 4.02Å; I179-I187 HydrophobicContact CG2-CG1 4.17Å; I179-I187 HydrophobicContact CG2-CG2 3.88Å; I179-L189 HydrophobicContact CD1-CD1 4.39Å; I179-I244 WeakPolarHBondContact O-CA 3.15Å; I179-L245 HydrophobicContact CD1-CD2 4.38Å; I179-L245 PolarHBondContact N-O 3.27Å; I179-L245 PolarHBondContact O-N 2.89Å; I179-L245 VanDerWaalsContact O-N 3.08Å; I179-Y264 HydrophobicContact CD1-CD1 4.38Å; I179-Y264 HydrophobicContact CD1-CD2 4.25Å; I179-Y264 HydrophobicContact CD1-CG 3.85Å; I179-Y264 HydrophobicContact CG1-CD2 4.39Å; I179-Y264 HydrophobicContact CG1-CG 4.24Å; I179-Y264 HydrophobicContact CG2-CD2 3.77Å; I179-Y264 HydrophobicContact CG2-CE2 3.99Å; I179-Y264 HydrophobicContact CG2-CG 4.44Å; I179-L266 HydrophobicContact CG2-CD2 3.87Å
180	L	94.5	Very high	90.9	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.346	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	178.9	-63.9	175.9	0	0	0	109.8	F153 T154 T178 I244	F153-L180 PolarHBondContact O-N 2.82Å; T154-L180 HydrophobicContact CG2-CB 4.08Å; T178-L180 HydrophobicContact CG2-CD2 3.82Å; T178-L180 HydrophobicContact CG2-CG 4.09Å; L180-I244 HydrophobicContact CD2-CB 4.22Å; L180-I244 HydrophobicContact CD2-CD1 3.88Å; L180-I244 HydrophobicContact CD2-CG1 4.01Å
181	A	94.5	Very high	91.4	Very high	18 Å²	18	36.9 Å²	36.9	15%	0.149	19%	0.185	C	C	.	.			trans	-115.4	149.5	-176.8	0	0	0	0	0	111.5	M185 I187 G243 L266	A181-M185 HydrophobicContact CB-CB 4.06Å; A181-I187 HydrophobicContact CB-CD1 3.86Å; A181-I187 HydrophobicContact CB-CG1 3.61Å; A181-G243 PolarHBondContact N-O 3.07Å; A181-L266 HydrophobicContact CB-CD2 4.02Å
182	K	91.3	Very high	92	Very high	166 Å²	166	36.8 Å²	36.8	72%	0.722	19%	0.187	S	C	*	.			trans	-74.5	158.7	173.7	-68.9	-178.4	-179.7	177.4	0	110.5	M185	K182-M185 HydrophobicContact CB-CG 4.06Å; K182-M185 VanDerWaalsContact O-CB 3.3Å; K182-M185 WeakPolarHBondContact O-CB 3.47Å; K182-M185 WeakPolarHBondContact O-CG 3.1Å; K182-M185 PolarHBondContact O-N 3.45Å; K182-M185 VanDerWaalsContact O-N 3.1Å
183	P	87.4	Confident	92.9	Very high	71 Å²	71	38.8 Å²	38.8	46%	0.461	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	146.8	167.1	-27	35.6	0	0	0	111.7	M185	P183-M185 VanDerWaalsContact C-N 3.27Å; P183-M185 PolarHBondContact O-N 3.47Å
184	K	86.2	Confident	93.6	Very high	96 Å²	96	38.7 Å²	38.7	42%	0.417	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	4.7	-170	-61.9	-168.6	-179	-172.5	0	116.9	Q269 E270	K184-Q269 WeakPolarHBondContact CB-O 3.49Å; K184-Q269 WeakPolarHBondContact O-CB 3.25Å; K184-Q269 PolarHBondContact O-N 2.81Å; K184-E270 VanDerWaalsContact NZ-CD 3.27Å; K184-E270 IonicContact NZ-OE1 3.65Å; K184-E270 PolarHBondContact NZ-OE1 3.28Å; K184-E270 VanDerWaalsContact NZ-OE1 3.1Å; K184-E270 IonicContact NZ-OE2 2.72Å; K184-E270 PolarHBondContact NZ-OE2 2.78Å
185	M	92.6	Very high	94.2	Very high	43 Å²	43	38.7 Å²	38.7	21%	0.212	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.5	175.5	-54.3	-65	-66.3	0	0	111.7	A181 K182 P183 L266 V267 H268	A181-M185 HydrophobicContact CB-CB 4.06Å; K182-M185 HydrophobicContact CB-CG 4.06Å; K182-M185 VanDerWaalsContact O-CB 3.3Å; K182-M185 WeakPolarHBondContact O-CB 3.47Å; K182-M185 WeakPolarHBondContact O-CG 3.1Å; K182-M185 PolarHBondContact O-N 3.45Å; K182-M185 VanDerWaalsContact O-N 3.1Å; P183-M185 VanDerWaalsContact C-N 3.27Å; P183-M185 PolarHBondContact O-N 3.47Å; M185-L266 VanDerWaalsContact CE-C 3.45Å; M185-L266 HydrophobicContact CE-CB 3.65Å; M185-L266 WeakPolarHBondContact CE-O 3.31Å; M185-V267 CarbonylContact C-O 3.56Å; M185-V267 WeakPolarHBondContact CA-O 3.33Å; M185-H268 HydrophobicContact CE-CB 4.42Å; M185-H268 HydrophobicContact SD-CB 3.93Å
186	E	95	Very high	94.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.2	164.9	176.8	167.3	-93.2	0	0	109.6	I188 R239 S240 L266 V267 Q269 R428	E186-I188 HydrophobicContact CG-CG1 4.19Å; E186-R239 HydrophobicContact CG-CB 4.27Å; E186-R239 WeakPolarHBondContact OE2-CD 3.36Å; E186-R239 IonicContact OE2-CZ 3.87Å; E186-R239 IonicContact OE2-NE 2.68Å; E186-R239 IonicContact OE2-NH1 3.75Å; E186-R239 PolarHBondContact OE2-NH1 2.85Å; E186-S240 WeakPolarHBondContact CA-O 3.35Å; E186-L266 WeakPolarHBondContact O-CA 3.5Å; E186-V267 PolarHBondContact N-O 2.8Å; E186-V267 PolarHBondContact O-N 2.93Å; E186-Q269 HydrophobicContact CB-CG 3.92Å; E186-R428 IonicContact OE1-CZ 2.82Å; E186-R428 IonicContact OE1-NH1 3.71Å; E186-R428 PolarHBondContact OE1-NH1 2.84Å
187	I	98.1	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	111.3	169.8	-57.7	168.4	0	0	0	107.6	I179 A181 R239 S240 L245 L266	I179-I187 HydrophobicContact CB-CD1 4.35Å; I179-I187 HydrophobicContact CB-CG2 4.34Å; I179-I187 HydrophobicContact CD1-CG2 3.9Å; I179-I187 HydrophobicContact CG2-CD1 4.02Å; I179-I187 HydrophobicContact CG2-CG1 4.17Å; I179-I187 HydrophobicContact CG2-CG2 3.88Å; A181-I187 HydrophobicContact CB-CD1 3.86Å; A181-I187 HydrophobicContact CB-CG1 3.61Å; I187-R239 CarbonylContact O-C 3.6Å; I187-R239 WeakPolarHBondContact O-CA 3.43Å; I187-S240 PolarHBondContact N-O 2.86Å; I187-S240 PolarHBondContact O-N 3.26Å; I187-L245 HydrophobicContact CD1-CB 3.83Å; I187-L245 HydrophobicContact CG2-CB 4.19Å; I187-L245 HydrophobicContact CG2-CD2 3.84Å; I187-L266 HydrophobicContact CB-CD2 4.38Å; I187-L266 HydrophobicContact CG1-CD2 3.8Å; I187-L266 HydrophobicContact CG2-CD2 4.43Å
188	I	97.9	Very high	94	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.9	168.8	-50.1	-180	0	0	0	107.9	E186 Q190 E237 L238 R239 Y264 Y265 V267	E186-I188 HydrophobicContact CG-CG1 4.19Å; I188-Q190 HydrophobicContact CG2-CG 4.33Å; I188-E237 HydrophobicContact CG2-CG 4.03Å; I188-L238 CarbonylContact C-O 3.53Å; I188-L238 WeakPolarHBondContact CA-O 3.4Å; I188-R239 HydrophobicContact CG1-CG 4.35Å; I188-R239 HydrophobicContact CG2-CG 4.48Å; I188-Y264 CarbonylContact O-C 3.14Å; I188-Y264 WeakPolarHBondContact O-CA 3.33Å; I188-Y264 WeakPolarHBondContact O-CB 3.35Å; I188-Y265 PolarHBondContact N-O 2.83Å; I188-Y265 PolarHBondContact O-N 3.1Å; I188-V267 HydrophobicContact CD1-CB 4.27Å; I188-V267 HydrophobicContact CD1-CG2 3.55Å; I188-V267 HydrophobicContact CG1-CG2 4.2Å
189	L	98.1	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.3	176.1	176.6	67.8	0	0	0	110	I179 F191 E237 L238 L245 L247 A262	I179-L189 HydrophobicContact CD1-CD1 4.39Å; L189-F191 HydrophobicContact CD2-CE2 4.07Å; L189-F191 HydrophobicContact CG-CE2 4.27Å; L189-E237 WeakPolarHBondContact O-CA 3.35Å; L189-L238 HydrophobicContact CB-CB 4.47Å; L189-L238 PolarHBondContact N-O 2.88Å; L189-L238 PolarHBondContact O-N 3.01Å; L189-L245 HydrophobicContact CB-CD2 3.95Å; L189-L245 HydrophobicContact CD2-CD2 3.86Å; L189-L247 HydrophobicContact CD2-CD1 4.3Å; L189-L247 HydrophobicContact CD2-CD2 4.2Å; L189-A262 HydrophobicContact CD1-CB 4.08Å
190	Q	97.2	Very high	91.5	Very high	67 Å²	67	48 Å²	48	31%	0.313	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.9	-178.2	-67.8	173.5	-22.4	0	0	110.2	I188 E237 A262 R263	I188-Q190 HydrophobicContact CG2-CG 4.33Å; Q190-E237 HydrophobicContact CG-CB 4.37Å; Q190-E237 HydrophobicContact CG-CG 4.02Å; Q190-E237 PolarHBondContact NE2-OE2 3.26Å; Q190-A262 CarbonylContact O-C 3.48Å; Q190-A262 VanDerWaalsContact O-CA 3.25Å; Q190-A262 WeakPolarHBondContact O-CA 3.18Å; Q190-A262 WeakPolarHBondContact O-CB 3.37Å; Q190-R263 PolarHBondContact N-O 2.89Å; Q190-R263 PolarHBondContact O-N 2.74Å
191	F	97	Very high	90	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.1	172.9	-73.5	-98.9	0	0	0	111.1	L189 F194 L213 I215 T234 P235 L247 F260 A262	L189-F191 HydrophobicContact CD2-CE2 4.07Å; L189-F191 HydrophobicContact CG-CE2 4.27Å; F191-F194 HydrophobicContact CD1-CD2 4.07Å; F191-F194 HydrophobicContact CE1-CD2 4.12Å; F191-L213 HydrophobicContact CE1-CD2 3.5Å; F191-L213 VanDerWaalsContact CE1-CD2 3.5Å; F191-L213 HydrophobicContact CZ-CD2 3.6Å; F191-I215 HydrophobicContact CE2-CD1 3.87Å; F191-I215 HydrophobicContact CZ-CD1 3.96Å; F191-T234 HydrophobicContact CB-CG2 3.49Å; F191-T234 VanDerWaalsContact CB-CG2 3.49Å; F191-P235 HydrophobicContact CD1-CG 4.31Å; F191-P235 HydrophobicContact CD2-CB 3.68Å; F191-P235 HydrophobicContact CD2-CG 3.94Å; F191-P235 HydrophobicContact CE1-CG 4.29Å; F191-P235 HydrophobicContact CE2-CB 3.77Å; F191-P235 HydrophobicContact CE2-CG 3.92Å; F191-P235 HydrophobicContact CG-CB 4.29Å; F191-P235 HydrophobicContact CG-CG 4.14Å; F191-P235 HydrophobicContact CZ-CB 4.43Å; F191-P235 HydrophobicContact CZ-CG 4.1Å; F191-L247 HydrophobicContact CZ-CD2 3.85Å; F191-F260 HydrophobicContact CD1-CB 4.49Å; F191-F260 HydrophobicContact CD1-CD2 4.34Å; F191-F260 HydrophobicContact CE1-CB 4.46Å; F191-F260 AromaticContact CE1-CD2 3.84Å; F191-F260 HydrophobicContact CE1-CD2 3.84Å; F191-F260 HydrophobicContact CE1-CE2 4.46Å; F191-F260 HydrophobicContact CE1-CG 4.34Å; F191-A262 HydrophobicContact CD1-CB 3.79Å; F191-A262 HydrophobicContact CD2-CB 4.46Å; F191-A262 HydrophobicContact CE1-CB 3.98Å; F191-A262 HydrophobicContact CG-CB 4.05Å; F191-A262 HydrophobicContact CZ-CB 4.4Å
192	L	95.3	Very high	88.3	Confident	86 Å²	86	55.1 Å²	55.1	45%	0.45	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-45	176.8	-70.6	76.5	0	0	0	110.6	S261 R263	L192-S261 WeakPolarHBondContact CB-O 3.32Å; L192-S261 PolarHBondContact N-O 2.91Å; L192-R263 HydrophobicContact CD1-CB 4.09Å; L192-R263 HydrophobicContact CD1-CG 3.81Å
193	I	95.3	Very high	86.1	Confident	90 Å²	90	54.8 Å²	54.8	46%	0.462	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.1	179.3	-68.4	175.5	0	0	0	108.2	F165 F260 S261	F165-I193 HydrophobicContact CE2-CB 4.44Å; F165-I193 HydrophobicContact CE2-CG2 4.1Å; F165-I193 HydrophobicContact CZ-CB 4.18Å; F165-I193 HydrophobicContact CZ-CD1 4.07Å; F165-I193 HydrophobicContact CZ-CG2 4.2Å; I193-F260 VanDerWaalsContact O-CA 3.28Å; I193-F260 WeakPolarHBondContact O-CA 3.31Å; I193-S261 PolarHBondContact N-O 2.91Å; I193-S261 PolarHBondContact O-N 2.95Å
194	F	96.3	Very high	84.5	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	108.4	177.7	-171.5	-90.1	0	0	0	110.2	F191 L196 L213 G231 T234 P235 G259 F260	F191-F194 HydrophobicContact CD1-CD2 4.07Å; F191-F194 HydrophobicContact CE1-CD2 4.12Å; F194-L196 HydrophobicContact CD1-CD1 4.46Å; F194-L196 HydrophobicContact CD2-CD1 4.05Å; F194-L196 HydrophobicContact CE1-CD1 4.19Å; F194-L196 HydrophobicContact CE2-CD1 3.73Å; F194-L196 HydrophobicContact CE2-CD2 4.28Å; F194-L196 HydrophobicContact CG-CD1 4.39Å; F194-L196 HydrophobicContact CZ-CD1 3.8Å; F194-L196 HydrophobicContact CZ-CD2 3.94Å; F194-L196 HydrophobicContact CZ-CG 4.33Å; F194-L213 HydrophobicContact CD2-CD2 4.44Å; F194-L213 HydrophobicContact CE2-CB 4Å; F194-L213 HydrophobicContact CE2-CD2 3.78Å; F194-L213 HydrophobicContact CZ-CB 4.35Å; F194-G231 VanDerWaalsContact CD1-O 3.31Å; F194-G231 WeakPolarHBondContact CD1-O 3.29Å; F194-G231 WeakPolarHBondContact CE1-O 3.41Å; F194-T234 HydrophobicContact CB-CG2 4.27Å; F194-P235 HydrophobicContact CD2-CG 4.15Å; F194-P235 HydrophobicContact CE2-CG 4.17Å; F194-P235 HydrophobicContact CG-CG 4.49Å; F194-P235 HydrophobicContact CZ-CG 4.5Å; F194-G259 CarbonylContact C-O 3.44Å; F194-G259 WeakPolarHBondContact CA-O 3.1Å; F194-F260 HydrophobicContact CD2-CB 3.74Å; F194-F260 HydrophobicContact CE2-CB 4.42Å
195	D	95.1	Very high	83	Confident	26 Å²	26	58 Å²	58	14%	0.139	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	106	167.7	179.4	39.5	0	0	0	109.1	G231 T232 K257 G259	D195-G231 WeakPolarHBondContact CA-O 3.49Å; D195-T232 HydrophobicContact CB-CG2 4.45Å; D195-T232 WeakPolarHBondContact OD1-CG2 3.29Å; D195-K257 WeakPolarHBondContact O-CB 3.32Å; D195-K257 IonicContact OD1-NZ 2.74Å; D195-K257 PolarHBondContact OD1-NZ 2.74Å; D195-K257 WeakPolarHBondContact OD2-CB 3.31Å; D195-K257 IonicContact OD2-NZ 2.62Å; D195-K257 PolarHBondContact OD2-NZ 3.09Å; D195-G259 PolarHBondContact N-O 2.81Å; D195-G259 WeakPolarHBondContact O-CA 3.27Å; D195-G259 PolarHBondContact O-N 3.48Å
196	L	93.8	Very high	81.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.32	C	S	.	.			trans	-112.5	169.4	172.7	-83.9	65	0	0	0	109.7	Y169 F194 D211 L213 G231 F249	Y169-L196 HydrophobicContact CE1-CG 4.47Å; F194-L196 HydrophobicContact CD1-CD1 4.46Å; F194-L196 HydrophobicContact CD2-CD1 4.05Å; F194-L196 HydrophobicContact CE1-CD1 4.19Å; F194-L196 HydrophobicContact CE2-CD1 3.73Å; F194-L196 HydrophobicContact CE2-CD2 4.28Å; F194-L196 HydrophobicContact CG-CD1 4.39Å; F194-L196 HydrophobicContact CZ-CD1 3.8Å; F194-L196 HydrophobicContact CZ-CD2 3.94Å; F194-L196 HydrophobicContact CZ-CG 4.33Å; L196-D211 HydrophobicContact CB-CB 4.36Å; L196-L213 HydrophobicContact CD2-CB 4.29Å; L196-G231 PolarHBondContact N-O 3.07Å; L196-G231 VanDerWaalsContact O-CA 3.28Å; L196-G231 WeakPolarHBondContact O-CA 3.46Å; L196-G231 PolarHBondContact O-N 2.79Å; L196-F249 HydrophobicContact CD1-CE2 4.48Å; L196-F249 HydrophobicContact CD2-CD2 4.23Å; L196-F249 HydrophobicContact CD2-CE2 3.84Å; L196-F249 HydrophobicContact CG-CE2 4.09Å
197	E	91.6	Very high	79.8	Confident	23 Å²	23	61.5 Å²	61.5	11%	0.107	34%	0.343	C	S	.	.			trans	-58.2	155.5	167.2	-174.9	162.7	-135.5	0	0	111.2	Y169 Y210 D211 C230 G231 V255	Y169-E197 PolarHBondContact OH-N 3.07Å; E197-Y210 HydrophobicContact CG-CD2 4.37Å; E197-Y210 WeakPolarHBondContact OE2-CB 3.34Å; E197-D211 HydrophobicContact CB-CB 4.09Å; E197-D211 VanDerWaalsContact CB-OD2 3.31Å; E197-D211 WeakPolarHBondContact CB-OD2 3.45Å; E197-C230 WeakPolarHBondContact O-CB 3.33Å; E197-G231 PolarHBondContact O-N 2.83Å; E197-V255 WeakPolarHBondContact OE1-CB 3.38Å; E197-V255 VanDerWaalsContact OE1-CG1 3.3Å; E197-V255 WeakPolarHBondContact OE1-CG1 3.45Å; E197-V255 WeakPolarHBondContact OE1-CG2 3.07Å
198	H	82.9	Confident	79	Confident	94 Å²	94	62.4 Å²	62.4	44%	0.435	35%	0.349	S	S	.	.			trans	-138.8	154.4	169.1	59.8	-82	0	0	0	108.5	P200	H198-P200 WeakPolarHBondContact O-CD 3.07Å; H198-P200 VanDerWaalsContact O-N 3.15Å
199	D	75.8	Confident	78.3	Confident	17 Å²	17	66.1 Å²	66.1	9%	0.091	36%	0.364	C	S	.	.			trans	-62.4	112.1	174.3	-177.5	-18.8	0	0	0	110.3	L201 K209 Y210	D199-L201 PolarHBondContact O-N 2.65Å; D199-L201 WeakPolarHBondContact OD1-CB 3.47Å; D199-L201 PolarHBondContact OD1-N 2.75Å; D199-K209 IonicContact OD2-NZ 3.68Å; D199-K209 PolarHBondContact OD2-NZ 2.9Å; D199-Y210 HydrophobicContact CB-CE2 4.34Å
200	P	65.3	Low	77.8	Confident	95 Å²	95	70.2 Å²	70.2	62%	0.617	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-3	-174.6	33.6	-36	0	0	0	113.1	H198	H198-P200 WeakPolarHBondContact O-CD 3.07Å; H198-P200 VanDerWaalsContact O-N 3.15Å
201	L	64.1	Low	77.4	Confident	155 Å²	155	67 Å²	67	81%	0.812	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-8.3	-179	-59.1	177.1	0	0	0	113.1	D199	D199-L201 PolarHBondContact O-N 2.65Å; D199-L201 WeakPolarHBondContact OD1-CB 3.47Å; D199-L201 PolarHBondContact OD1-N 2.75Å
202	Q	58.4	Low	77.2	Confident	77 Å²	77	68.1 Å²	68.1	36%	0.36	37%	0.369	S	S	.	.			trans	-104.4	124.1	179.8	-70.5	-171.2	-15.3	0	0	112.8	G204 D207 K209	Q202-G204 PolarHBondContact O-N 2.81Å; Q202-D207 PolarHBondContact NE2-OD2 3.14Å; Q202-D207 PolarHBondContact OE1-OD2 3.28Å; Q202-K209 VanDerWaalsContact NE2-NZ 3.15Å
203	V	44.9	Very low	77.2	Confident	159 Å²	159	64 Å²	64	96%	0.964	35%	0.348	S	S	*	.	S	Bend	trans	-95.9	79.7	174	-174.4	0	0	0	0	109.1
204	G	54.7	Low	77.2	Confident	64 Å²	64	60.4 Å²	60.4	66%	0.66	33%	0.329	S	S	*	.	S	Bend	trans	178.1	-163.7	-178.5	0	0	0	0	0	112.7	Q202 G206	Q202-G204 PolarHBondContact O-N 2.81Å; G204-G206 VanDerWaalsContact C-N 3.27Å; G204-G206 PolarHBondContact O-N 2.76Å
205	E	53.4	Low	77.2	Confident	172 Å²	172	60 Å²	60	80%	0.804	33%	0.327	S	S	*	.	S	Bend	trans	-71.9	90.3	159.4	-69.6	-168.3	138.3	0	0	107.1	K233	E205-K233 IonicContact OE1-NZ 2.72Å; E205-K233 PolarHBondContact OE1-NZ 3.38Å
206	G	55.3	Low	77.3	Confident	26 Å²	26	59.9 Å²	59.9	27%	0.268	33%	0.325	S	S	.	.			trans	-71.2	148	-170.9	0	0	0	0	0	113.2	G204 C208	G204-G206 VanDerWaalsContact C-N 3.27Å; G204-G206 PolarHBondContact O-N 2.76Å; G206-C208 PolarHBondContact O-N 3.33Å
207	D	66.6	Low	77.4	Confident	94 Å²	94	60.1 Å²	60.1	50%	0.503	33%	0.326	S	S	.	.			trans	-63.5	123.3	176.4	-35.4	-76.3	0	0	0	108.9	Q202 K209	Q202-D207 PolarHBondContact NE2-OD2 3.14Å; Q202-D207 PolarHBondContact OE1-OD2 3.28Å; D207-K209 VanDerWaalsContact C-N 3.31Å; D207-K209 HydrophobicContact CB-CG 4.02Å; D207-K209 WeakPolarHBondContact O-CG 3.09Å; D207-K209 PolarHBondContact O-N 3.19Å; D207-K209 WeakPolarHBondContact OD2-CE 3.44Å; D207-K209 IonicContact OD2-NZ 2.76Å; D207-K209 PolarHBondContact OD2-NZ 2.81Å
208	C	80.6	Confident	77.5	Confident	18 Å²	18	59 Å²	59	12%	0.122	32%	0.321	C	S	.	.			trans	-72.4	84.1	176.4	-57.1	0	0	0	0	110.3	G206 W212 K228 C230	G206-C208 PolarHBondContact O-N 3.33Å; C208-W212 HydrophobicContact CB-CB 3.91Å; C208-K228 HydrophobicContact CB-CD 3.98Å; C208-K228 HydrophobicContact CB-CG 3.9Å; C208-K228 WeakPolarHBondContact O-CE 3.34Å; C208-K228 PolarHBondContact O-NZ 3.48Å; C208-C230 WeakPolarHBondContact CA-SG 3.41Å; C208-C230 HydrophobicContact CB-CB 3.57Å; C208-C230 WeakPolarHBondContact CB-SG 3.42Å; C208-C230 WeakPolarHBondContact SG-CB 3.49Å; C208-C230 PolarHBondContact SG-N 3.07Å; C208-C230 CovalentContact SG-SG 2.03Å; C208-C230 PolarHBondContact SG-SG 3.11Å
209	K	84.1	Confident	77.7	Confident	92 Å²	92	57.7 Å²	57.7	40%	0.4	32%	0.317	S	S	.	.			trans	-92.3	-32.1	-174.5	-64.1	177.3	-165.9	79.2	0	114.7	D199 Q202 D207	D199-K209 IonicContact OD2-NZ 3.68Å; D199-K209 PolarHBondContact OD2-NZ 2.9Å; Q202-K209 VanDerWaalsContact NE2-NZ 3.15Å; D207-K209 VanDerWaalsContact C-N 3.31Å; D207-K209 HydrophobicContact CB-CG 4.02Å; D207-K209 WeakPolarHBondContact O-CG 3.09Å; D207-K209 PolarHBondContact O-N 3.19Å; D207-K209 WeakPolarHBondContact OD2-CE 3.44Å; D207-K209 IonicContact OD2-NZ 2.76Å; D207-K209 PolarHBondContact OD2-NZ 2.81Å
210	Y	85.9	Confident	78.2	Confident	86 Å²	86	57.6 Å²	57.6	34%	0.337	32%	0.317	S	S	.	.	S	Bend	trans	-95.9	-93.2	-173.9	-55.1	-70.1	0	0	0	109.8	E197 D199 W212	E197-Y210 HydrophobicContact CG-CD2 4.37Å; E197-Y210 WeakPolarHBondContact OE2-CB 3.34Å; D199-Y210 HydrophobicContact CB-CE2 4.34Å; Y210-W212 VanDerWaalsContact O-CZ3 3.28Å; Y210-W212 WeakPolarHBondContact O-CZ3 3.35Å
211	D	90.2	Very high	78.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-89.1	145.1	171.5	-57.2	-32.6	0	0	0	111.6	Y169 L196 E197 C230 H250 T251 D252	Y169-D211 WeakPolarHBondContact CE2-OD2 3.32Å; Y169-D211 VanDerWaalsContact CZ-OD2 3.23Å; Y169-D211 PolarHBondContact OH-OD2 3.33Å; L196-D211 HydrophobicContact CB-CB 4.36Å; E197-D211 HydrophobicContact CB-CB 4.09Å; E197-D211 VanDerWaalsContact CB-OD2 3.31Å; E197-D211 WeakPolarHBondContact CB-OD2 3.45Å; D211-C230 WeakPolarHBondContact O-CB 2.94Å; D211-H250 WeakPolarHBondContact CA-O 3.46Å; D211-T251 WeakPolarHBondContact OD1-CA 3.21Å; D211-T251 VanDerWaalsContact OD1-CB 3.32Å; D211-T251 WeakPolarHBondContact OD1-CB 3.32Å; D211-D252 PolarHBondContact OD1-N 2.82Å
212	W	92.7	Very high	79.9	Confident	48 Å²	48	52.6 Å²	52.6	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	163.5	173.1	69.2	87.3	0	0	0	114.8	C208 Y210 D214 K228 Y229 F249 H250	C208-W212 HydrophobicContact CB-CB 3.91Å; Y210-W212 VanDerWaalsContact O-CZ3 3.28Å; Y210-W212 WeakPolarHBondContact O-CZ3 3.35Å; W212-D214 VanDerWaalsContact CD1-CG 3.46Å; W212-D214 VanDerWaalsContact CD1-OD2 3.23Å; W212-D214 PolarHBondContact NE1-OD2 3.35Å; W212-K228 HydrophobicContact CB-CG 4.26Å; W212-K228 VanDerWaalsContact CE2-NZ 3.31Å; W212-K228 HydrophobicContact CG-CD 4.36Å; W212-K228 HydrophobicContact CG-CG 4.45Å; W212-Y229 CarbonylContact C-O 3.47Å; W212-Y229 WeakPolarHBondContact CA-O 3.3Å; W212-F249 WeakPolarHBondContact O-CA 3.5Å; W212-F249 WeakPolarHBondContact O-CD2 3.42Å; W212-H250 HydrophobicContact CD2-CB 3.64Å; W212-H250 VanDerWaalsContact CE2-CB 3.46Å; W212-H250 AromaticContact CE2-CG 3.94Å; W212-H250 HydrophobicContact CE3-CB 4.06Å; W212-H250 AromaticContact CE3-CD2 3.81Å; W212-H250 HydrophobicContact CG-CB 4.17Å; W212-H250 HydrophobicContact CH2-CB 4.09Å; W212-H250 AromaticContact CH2-CD2 3.38Å; W212-H250 WeakPolarHBondContact CH2-CD2 3.47Å; W212-H250 AromaticContact CH2-CG 3.62Å; W212-H250 AromaticContact CH2-NE2 3.85Å; W212-H250 HydrophobicContact CZ2-CB 3.71Å; W212-H250 AromaticContact CZ2-CD2 3.94Å; W212-H250 AromaticContact CZ2-CG 3.67Å; W212-H250 HydrophobicContact CZ3-CB 4.26Å; W212-H250 AromaticContact CZ3-CD2 3.32Å; W212-H250 WeakPolarHBondContact CZ3-CD2 3.44Å; W212-H250 AromaticContact CZ3-CG 3.89Å; W212-H250 PolarHBondContact N-O 2.83Å; W212-H250 PolarHBondContact O-N 2.81Å
213	L	95.3	Very high	81.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	110.3	167.7	-170	67	0	0	0	109	F191 F194 L196 Y229 L247 T248 F249 F260	F191-L213 HydrophobicContact CE1-CD2 3.5Å; F191-L213 VanDerWaalsContact CE1-CD2 3.5Å; F191-L213 HydrophobicContact CZ-CD2 3.6Å; F194-L213 HydrophobicContact CD2-CD2 4.44Å; F194-L213 HydrophobicContact CE2-CB 4Å; F194-L213 HydrophobicContact CE2-CD2 3.78Å; F194-L213 HydrophobicContact CZ-CB 4.35Å; L196-L213 HydrophobicContact CD2-CB 4.29Å; L213-Y229 PolarHBondContact N-O 3.46Å; L213-Y229 WeakPolarHBondContact O-CD2 3.25Å; L213-Y229 PolarHBondContact O-N 2.78Å; L213-L247 HydrophobicContact CD1-CB 4Å; L213-L247 HydrophobicContact CD1-CD2 4.21Å; L213-L247 HydrophobicContact CD2-CD2 3.9Å; L213-L247 HydrophobicContact CG-CD2 4.22Å; L213-T248 WeakPolarHBondContact CA-O 3.34Å; L213-F249 HydrophobicContact CD1-CB 3.7Å; L213-F249 HydrophobicContact CD1-CD2 4.3Å; L213-F249 HydrophobicContact CD1-CG 4.4Å; L213-F260 HydrophobicContact CD1-CE1 3.88Å; L213-F260 HydrophobicContact CD1-CZ 4Å; L213-F260 HydrophobicContact CD2-CD1 4.18Å; L213-F260 HydrophobicContact CD2-CD2 4.28Å; L213-F260 HydrophobicContact CD2-CE1 4.2Å; L213-F260 HydrophobicContact CD2-CE2 4.3Å; L213-F260 HydrophobicContact CD2-CG 4.22Å; L213-F260 HydrophobicContact CD2-CZ 4.26Å
214	D	93.9	Very high	83.5	Confident	14 Å²	14	42.4 Å²	42.4	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.7	168.8	-62.1	-47.4	0	0	0	109.5	W212 W216 L225 K228 L247 T248	W212-D214 VanDerWaalsContact CD1-CG 3.46Å; W212-D214 VanDerWaalsContact CD1-OD2 3.23Å; W212-D214 PolarHBondContact NE1-OD2 3.35Å; D214-W216 HydrophobicContact CB-CZ2 4.07Å; D214-L225 HydrophobicContact CB-CD1 3.81Å; D214-K228 WeakPolarHBondContact OD1-CB 3.44Å; D214-K228 WeakPolarHBondContact OD1-CD 3.44Å; D214-K228 WeakPolarHBondContact OD1-CE 3.25Å; D214-K228 WeakPolarHBondContact OD1-CG 3.43Å; D214-L247 CarbonylContact O-C 3.19Å; D214-L247 VanDerWaalsContact O-CA 3.26Å; D214-L247 WeakPolarHBondContact O-CA 3.32Å; D214-T248 WeakPolarHBondContact CB-OG1 3.23Å; D214-T248 PolarHBondContact N-O 2.91Å; D214-T248 PolarHBondContact O-N 3.23Å
215	I	97.4	Very high	85.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	174.1	-48.4	-178.9	0	0	0	109.7	F191 I226 G227 Y229 L238 L245 S246 L247	F191-I215 HydrophobicContact CE2-CD1 3.87Å; F191-I215 HydrophobicContact CZ-CD1 3.96Å; I215-I226 HydrophobicContact CB-CB 4.46Å; I215-I226 HydrophobicContact CG2-CD1 4.14Å; I215-I226 VanDerWaalsContact O-CB 3.31Å; I215-I226 WeakPolarHBondContact O-CB 3.28Å; I215-I226 PolarHBondContact O-N 3.32Å; I215-G227 PolarHBondContact N-O 2.92Å; I215-Y229 HydrophobicContact CB-CE2 4.45Å; I215-Y229 HydrophobicContact CD1-CD2 4.01Å; I215-Y229 HydrophobicContact CD1-CE2 3.72Å; I215-Y229 HydrophobicContact CG1-CD2 4.07Å; I215-Y229 HydrophobicContact CG1-CE2 3.94Å; I215-L238 HydrophobicContact CB-CD1 4.46Å; I215-L238 HydrophobicContact CD1-CD1 3.86Å; I215-L238 HydrophobicContact CG2-CD1 3.83Å; I215-L245 HydrophobicContact CG2-CD1 4Å; I215-L245 HydrophobicContact CG2-CG 4.43Å; I215-S246 WeakPolarHBondContact CA-O 3.4Å; I215-L247 HydrophobicContact CD1-CD2 4.31Å; I215-L247 HydrophobicContact CG1-CD2 4.18Å; I215-L247 HydrophobicContact CG1-CG 4.27Å; I215-L247 HydrophobicContact CG2-CG 4.38Å
216	W	95.9	Very high	87.2	Confident	24 Å²	24	34.7 Å²	34.7	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.9	-168.2	-56	91.2	0	0	0	112.2	D214 G218 P220 H221 L225 S246 T248	D214-W216 HydrophobicContact CB-CZ2 4.07Å; W216-G218 PolarHBondContact O-N 2.68Å; W216-P220 HydrophobicContact CD2-CB 4.38Å; W216-P220 HydrophobicContact CG-CB 4.25Å; W216-H221 AromaticContact CH2-ND1 3.68Å; W216-H221 AromaticContact CZ2-CE1 3.83Å; W216-H221 AromaticContact CZ2-ND1 3.73Å; W216-L225 HydrophobicContact CD2-CD1 4.14Å; W216-L225 HydrophobicContact CE3-CB 4.1Å; W216-L225 HydrophobicContact CE3-CD1 4.2Å; W216-L225 HydrophobicContact CH2-CB 4.43Å; W216-L225 HydrophobicContact CH2-CD1 4.12Å; W216-L225 HydrophobicContact CZ2-CD1 4.07Å; W216-L225 HydrophobicContact CZ3-CB 3.88Å; W216-L225 HydrophobicContact CZ3-CD1 4.2Å; W216-S246 PolarHBondContact N-O 3.38Å; W216-S246 PolarHBondContact O-N 2.98Å; W216-S246 VanDerWaalsContact O-N 3.09Å; W216-T248 PolarHBondContact NE1-OG1 2.78Å
217	D	96.3	Very high	88.9	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	-81.2	55.9	173.2	-169.7	32.8	0	0	0	110.9	P224 I226 S240 T242 F335	D217-P224 PolarHBondContact N-O 2.7Å; D217-I226 HydrophobicContact CB-CD1 4.04Å; D217-I226 HydrophobicContact CB-CG1 3.98Å; D217-S240 PolarHBondContact OD1-OG 3.38Å; D217-T242 WeakPolarHBondContact OD1-CB 3.18Å; D217-T242 PolarHBondContact OD1-OG1 3.41Å; D217-T242 PolarHBondContact OD2-OG1 2.9Å; D217-F335 HydrophobicContact CB-CD1 4.34Å; D217-F335 HydrophobicContact CB-CE1 4.22Å; D217-F335 WeakPolarHBondContact OD1-CD1 3.49Å; D217-F335 WeakPolarHBondContact OD1-CE1 3.31Å
218	G	93.1	Very high	90.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	153.3	-160.1	-170	0	0	0	0	0	113.3	W216 S246 S442	W216-G218 PolarHBondContact O-N 2.68Å; G218-S246 VanDerWaalsContact O-CB 3.25Å; G218-S246 WeakPolarHBondContact O-CB 3.42Å; G218-S246 PolarHBondContact O-OG 2.68Å; G218-S442 CarbonylContact C-O 3.57Å; G218-S442 WeakPolarHBondContact CA-O 3.17Å
219	I	87.4	Confident	90.7	Very high	67 Å²	67	34.2 Å²	34.2	34%	0.344	16%	0.164	S	C	.	.	S	Bend	trans	-68	138.2	166.8	-59.6	179.4	0	0	0	108.7	V222 G223 I244 S442 G443	I219-V222 HydrophobicContact CB-CB 4.29Å; I219-V222 HydrophobicContact CG2-CG2 4.31Å; I219-V222 PolarHBondContact O-N 3.04Å; I219-V222 VanDerWaalsContact O-N 3.14Å; I219-G223 PolarHBondContact O-N 2.87Å; I219-I244 HydrophobicContact CG1-CD1 3.81Å; I219-S442 PolarHBondContact N-O 3.18Å; I219-G443 WeakPolarHBondContact CD1-O 3.28Å
220	P	86	Confident	91.1	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.091	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	142.5	178.4	-26.7	35.6	0	0	0	113.2	T176 W216 V222 T248	T176-P220 HydrophobicContact CG2-CG 3.88Å; W216-P220 HydrophobicContact CD2-CB 4.38Å; W216-P220 HydrophobicContact CG-CB 4.25Å; P220-V222 PolarHBondContact O-N 2.96Å; P220-T248 HydrophobicContact CB-CG2 3.6Å; P220-T248 HydrophobicContact CG-CG2 3.56Å
221	H	81.5	Confident	91.3	Very high	107 Å²	107	27 Å²	27	50%	0.495	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-1.1	-176.3	-43.6	-78.7	0	0	0	116.4	W216	W216-H221 AromaticContact CH2-ND1 3.68Å; W216-H221 AromaticContact CZ2-CE1 3.83Å; W216-H221 AromaticContact CZ2-ND1 3.73Å
222	V	85.1	Confident	91.4	Very high	39 Å²	39	31.9 Å²	31.9	24%	0.236	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-39.1	177.3	-173.8	0	0	0	0	111.9	I219 P220 S469	I219-V222 HydrophobicContact CB-CB 4.29Å; I219-V222 HydrophobicContact CG2-CG2 4.31Å; I219-V222 PolarHBondContact O-N 3.04Å; I219-V222 VanDerWaalsContact O-N 3.14Å; P220-V222 PolarHBondContact O-N 2.96Å; V222-S469 WeakPolarHBondContact O-CB 3.43Å; V222-S469 PolarHBondContact O-OG 3.22Å
223	G	85.9	Confident	91.2	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	-79.7	164.1	169.1	0	0	0	0	0	112.6	I219 L441	I219-G223 PolarHBondContact O-N 2.87Å; G223-L441 WeakPolarHBondContact CA-O 3.21Å
224	P	92.3	Very high	91.1	Very high	17 Å²	17	37.5 Å²	37.5	11%	0.11	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-61.6	137	172.9	-21.6	33.2	0	0	0	112.4	D217 I226 L441 V468	D217-P224 PolarHBondContact N-O 2.7Å; P224-I226 PolarHBondContact O-N 2.88Å; P224-L441 HydrophobicContact CG-CD1 4.48Å; P224-L441 HydrophobicContact CG-CD2 3.92Å; P224-L441 HydrophobicContact CG-CG 4.02Å; P224-V468 HydrophobicContact CB-CG1 4.5Å; P224-V468 HydrophobicContact CG-CG1 4.08Å
225	L	92.1	Very high	91.1	Very high	71 Å²	71	37.1 Å²	37.1	37%	0.372	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.4	168.6	-177.9	66	0	0	0	109.4	D214 W216 R405	D214-L225 HydrophobicContact CB-CD1 3.81Å; W216-L225 HydrophobicContact CD2-CD1 4.14Å; W216-L225 HydrophobicContact CE3-CB 4.1Å; W216-L225 HydrophobicContact CE3-CD1 4.2Å; W216-L225 HydrophobicContact CH2-CB 4.43Å; W216-L225 HydrophobicContact CH2-CD1 4.12Å; W216-L225 HydrophobicContact CZ2-CD1 4.07Å; W216-L225 HydrophobicContact CZ3-CB 3.88Å; W216-L225 HydrophobicContact CZ3-CD1 4.2Å; L225-R405 PolarHBondContact O-NH1 2.77Å
226	I	94.6	Very high	91	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-49.1	174.1	-59.9	179.9	0	0	0	109.2	I215 D217 P224 L238 L245 R334 F335 R405	I215-I226 HydrophobicContact CB-CB 4.46Å; I215-I226 HydrophobicContact CG2-CD1 4.14Å; I215-I226 VanDerWaalsContact O-CB 3.31Å; I215-I226 WeakPolarHBondContact O-CB 3.28Å; I215-I226 PolarHBondContact O-N 3.32Å; D217-I226 HydrophobicContact CB-CD1 4.04Å; D217-I226 HydrophobicContact CB-CG1 3.98Å; P224-I226 PolarHBondContact O-N 2.88Å; I226-L238 HydrophobicContact CD1-CD1 4.39Å; I226-L238 HydrophobicContact CG2-CD1 4.18Å; I226-L238 HydrophobicContact CG2-CD2 4.05Å; I226-L245 HydrophobicContact CD1-CD1 3.58Å; I226-R334 HydrophobicContact CG2-CB 4Å; I226-R334 HydrophobicContact CG2-CG 4.17Å; I226-F335 HydrophobicContact CD1-CE1 3.57Å; I226-F335 HydrophobicContact CD1-CZ 3.63Å; I226-F335 HydrophobicContact CG1-CE1 4.49Å; I226-R405 PolarHBondContact O-NH2 2.97Å
227	G	90.8	Very high	91	Very high	15 Å²	15	40.1 Å²	40.1	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	160	175.6	0	0	0	0	0	112	I215 Y229	I215-G227 PolarHBondContact N-O 2.92Å; G227-Y229 WeakPolarHBondContact O-CE2 3.49Å
228	K	91.3	Very high	91	Very high	83 Å²	83	40.1 Å²	40.1	36%	0.361	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.4	171.8	-179.5	164.7	-147.9	-164.9	0	108.5	C208 W212 D214	C208-K228 HydrophobicContact CB-CD 3.98Å; C208-K228 HydrophobicContact CB-CG 3.9Å; C208-K228 WeakPolarHBondContact O-CE 3.34Å; C208-K228 PolarHBondContact O-NZ 3.48Å; W212-K228 HydrophobicContact CB-CG 4.26Å; W212-K228 VanDerWaalsContact CE2-NZ 3.31Å; W212-K228 HydrophobicContact CG-CD 4.36Å; W212-K228 HydrophobicContact CG-CG 4.45Å; D214-K228 WeakPolarHBondContact OD1-CB 3.44Å; D214-K228 WeakPolarHBondContact OD1-CD 3.44Å; D214-K228 WeakPolarHBondContact OD1-CE 3.25Å; D214-K228 WeakPolarHBondContact OD1-CG 3.43Å
229	Y	92.6	Very high	91.2	Very high	30 Å²	30	43.3 Å²	43.3	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.8	-171.7	-56.9	-86.8	0	0	0	111.7	W212 L213 I215 G227 P235	W212-Y229 CarbonylContact C-O 3.47Å; W212-Y229 WeakPolarHBondContact CA-O 3.3Å; L213-Y229 PolarHBondContact N-O 3.46Å; L213-Y229 WeakPolarHBondContact O-CD2 3.25Å; L213-Y229 PolarHBondContact O-N 2.78Å; I215-Y229 HydrophobicContact CB-CE2 4.45Å; I215-Y229 HydrophobicContact CD1-CD2 4.01Å; I215-Y229 HydrophobicContact CD1-CE2 3.72Å; I215-Y229 HydrophobicContact CG1-CD2 4.07Å; I215-Y229 HydrophobicContact CG1-CE2 3.94Å; G227-Y229 WeakPolarHBondContact O-CE2 3.49Å; Y229-P235 HydrophobicContact CD1-CB 3.97Å; Y229-P235 HydrophobicContact CD1-CG 3.78Å; Y229-P235 HydrophobicContact CD2-CG 4.26Å; Y229-P235 HydrophobicContact CE1-CB 3.92Å; Y229-P235 HydrophobicContact CE1-CG 4.26Å; Y229-P235 HydrophobicContact CE2-CB 4.49Å; Y229-P235 HydrophobicContact CG-CB 4.28Å; Y229-P235 HydrophobicContact CG-CG 3.78Å
230	C	92.2	Very high	91.6	Very high	22 Å²	22	40.1 Å²	40.1	15%	0.149	21%	0.21	C	C	.	.			trans	-158.1	177.2	175.9	63.1	0	0	0	0	110.4	E197 C208 D211	E197-C230 WeakPolarHBondContact O-CB 3.33Å; C208-C230 WeakPolarHBondContact CA-SG 3.41Å; C208-C230 HydrophobicContact CB-CB 3.57Å; C208-C230 WeakPolarHBondContact CB-SG 3.42Å; C208-C230 WeakPolarHBondContact SG-CB 3.49Å; C208-C230 PolarHBondContact SG-N 3.07Å; C208-C230 CovalentContact SG-SG 2.03Å; C208-C230 PolarHBondContact SG-SG 3.11Å; D211-C230 WeakPolarHBondContact O-CB 2.94Å
231	G	91.1	Very high	92	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-150.7	-173.8	0	0	0	0	0	113.7	F194 D195 L196 E197	F194-G231 VanDerWaalsContact CD1-O 3.31Å; F194-G231 WeakPolarHBondContact CD1-O 3.29Å; F194-G231 WeakPolarHBondContact CE1-O 3.41Å; D195-G231 WeakPolarHBondContact CA-O 3.49Å; L196-G231 PolarHBondContact N-O 3.07Å; L196-G231 VanDerWaalsContact O-CA 3.28Å; L196-G231 WeakPolarHBondContact O-CA 3.46Å; L196-G231 PolarHBondContact O-N 2.79Å; E197-G231 PolarHBondContact O-N 2.83Å
232	T	91.2	Very high	92.6	Very high	101 Å²	101	36.7 Å²	36.7	62%	0.62	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	0.8	-172.6	52.2	0	0	0	0	115	D195 T234	D195-T232 HydrophobicContact CB-CG2 4.45Å; D195-T232 WeakPolarHBondContact OD1-CG2 3.29Å; T232-T234 PolarHBondContact O-N 2.76Å
233	K	89.3	Confident	93	Very high	104 Å²	104	35.8 Å²	35.8	45%	0.452	20%	0.196	S	C	.	.			trans	-84.6	94.3	-176.4	-171	-174	-178	-169.8	0	109.9	E205	E205-K233 IonicContact OE1-NZ 2.72Å; E205-K233 PolarHBondContact OE1-NZ 3.38Å
234	T	92.6	Very high	93.5	Very high	62 Å²	62	35.7 Å²	35.7	38%	0.38	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-51.2	128.4	-179.9	-49.2	0	0	0	0	112.5	F191 F194 T232	F191-T234 HydrophobicContact CB-CG2 3.49Å; F191-T234 VanDerWaalsContact CB-CG2 3.49Å; F194-T234 HydrophobicContact CB-CG2 4.27Å; T232-T234 PolarHBondContact O-N 2.76Å
235	P	94.4	Very high	93.7	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.039	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-63.9	136.9	175.7	-20.1	30.9	0	0	0	112.4	F191 F194 Y229	F191-P235 HydrophobicContact CD1-CG 4.31Å; F191-P235 HydrophobicContact CD2-CB 3.68Å; F191-P235 HydrophobicContact CD2-CG 3.94Å; F191-P235 HydrophobicContact CE1-CG 4.29Å; F191-P235 HydrophobicContact CE2-CB 3.77Å; F191-P235 HydrophobicContact CE2-CG 3.92Å; F191-P235 HydrophobicContact CG-CB 4.29Å; F191-P235 HydrophobicContact CG-CG 4.14Å; F191-P235 HydrophobicContact CZ-CB 4.43Å; F191-P235 HydrophobicContact CZ-CG 4.1Å; F194-P235 HydrophobicContact CD2-CG 4.15Å; F194-P235 HydrophobicContact CE2-CG 4.17Å; F194-P235 HydrophobicContact CG-CG 4.49Å; F194-P235 HydrophobicContact CZ-CG 4.5Å; Y229-P235 HydrophobicContact CD1-CB 3.97Å; Y229-P235 HydrophobicContact CD1-CG 3.78Å; Y229-P235 HydrophobicContact CD2-CG 4.26Å; Y229-P235 HydrophobicContact CE1-CB 3.92Å; Y229-P235 HydrophobicContact CE1-CG 4.26Å; Y229-P235 HydrophobicContact CE2-CB 4.49Å; Y229-P235 HydrophobicContact CG-CB 4.28Å; Y229-P235 HydrophobicContact CG-CG 3.78Å
236	S	94.6	Very high	93.9	Very high	15 Å²	15	31.5 Å²	31.5	11%	0.105	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-63.2	157.6	175.8	53.1	0	0	0	0	113.2	L238	S236-L238 PolarHBondContact O-N 3.33Å
237	E	96.1	Very high	94.1	Very high	73 Å²	73	31.3 Å²	31.3	34%	0.341	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-51.8	134.3	175.2	178.7	175.2	125.2	0	0	111.9	I188 L189 Q190 R239	I188-E237 HydrophobicContact CG2-CG 4.03Å; L189-E237 WeakPolarHBondContact O-CA 3.35Å; Q190-E237 HydrophobicContact CG-CB 4.37Å; Q190-E237 HydrophobicContact CG-CG 4.02Å; Q190-E237 PolarHBondContact NE2-OE2 3.26Å; E237-R239 IonicContact OE1-CZ 3.64Å; E237-R239 IonicContact OE1-NE 3.59Å; E237-R239 PolarHBondContact OE1-NE 2.8Å; E237-R239 IonicContact OE1-NH2 3.72Å; E237-R239 PolarHBondContact OE1-NH2 2.85Å
238	L	96.9	Very high	94.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.6	174.4	-66	177.6	0	0	0	110.8	I188 L189 I215 I226 S236 R334 F335	I188-L238 CarbonylContact C-O 3.53Å; I188-L238 WeakPolarHBondContact CA-O 3.4Å; L189-L238 HydrophobicContact CB-CB 4.47Å; L189-L238 PolarHBondContact N-O 2.88Å; L189-L238 PolarHBondContact O-N 3.01Å; I215-L238 HydrophobicContact CB-CD1 4.46Å; I215-L238 HydrophobicContact CD1-CD1 3.86Å; I215-L238 HydrophobicContact CG2-CD1 3.83Å; I226-L238 HydrophobicContact CD1-CD1 4.39Å; I226-L238 HydrophobicContact CG2-CD1 4.18Å; I226-L238 HydrophobicContact CG2-CD2 4.05Å; S236-L238 PolarHBondContact O-N 3.33Å; L238-R334 HydrophobicContact CD2-CB 4.46Å; L238-R334 HydrophobicContact CD2-CG 4.03Å; L238-F335 HydrophobicContact CD2-CE2 4.45Å
239	R	96.4	Very high	94.3	Very high	67 Å²	67	27.3 Å²	27.3	25%	0.253	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	96	178.6	-70.7	-175.3	177.8	-107.2	-6.8	110.6	E186 I187 I188 E237 F335	E186-R239 HydrophobicContact CG-CB 4.27Å; E186-R239 WeakPolarHBondContact OE2-CD 3.36Å; E186-R239 IonicContact OE2-CZ 3.87Å; E186-R239 IonicContact OE2-NE 2.68Å; E186-R239 IonicContact OE2-NH1 3.75Å; E186-R239 PolarHBondContact OE2-NH1 2.85Å; I187-R239 CarbonylContact O-C 3.6Å; I187-R239 WeakPolarHBondContact O-CA 3.43Å; I188-R239 HydrophobicContact CG1-CG 4.35Å; I188-R239 HydrophobicContact CG2-CG 4.48Å; E237-R239 IonicContact OE1-CZ 3.64Å; E237-R239 IonicContact OE1-NE 3.59Å; E237-R239 PolarHBondContact OE1-NE 2.8Å; E237-R239 IonicContact OE1-NH2 3.72Å; E237-R239 PolarHBondContact OE1-NH2 2.85Å; R239-F335 WeakPolarHBondContact O-CD2 3.47Å; R239-F335 WeakPolarHBondContact O-CE2 3.23Å
240	S	96.3	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.1	176.3	-177.8	0	0	0	0	111.2	E186 I187 D217 T242	E186-S240 WeakPolarHBondContact CA-O 3.35Å; I187-S240 PolarHBondContact N-O 2.86Å; I187-S240 PolarHBondContact O-N 3.26Å; D217-S240 PolarHBondContact OD1-OG 3.38Å; S240-T242 VanDerWaalsContact OG-CB 3.3Å; S240-T242 WeakPolarHBondContact OG-CB 3.2Å; S240-T242 PolarHBondContact OG-N 2.92Å; S240-T242 VanDerWaalsContact OG-N 3.1Å; S240-T242 PolarHBondContact OG-OG1 2.83Å
241	S	94.4	Very high	93.9	Very high	36 Å²	36	26 Å²	26	25%	0.252	14%	0.143	S	C	.	.			trans	-111	13.2	166.8	61.5	0	0	0	0	112.4	G243 T430	S241-G243 PolarHBondContact O-N 3.34Å; S241-T430 WeakPolarHBondContact CB-OG1 3.3Å; S241-T430 PolarHBondContact OG-OG1 2.87Å
242	T	94.6	Very high	93.5	Very high	14 Å²	14	27.7 Å²	27.7	9%	0.086	15%	0.151	C	C	.	.	S	Bend	trans	-76.4	-6.4	-177.3	-52.3	0	0	0	0	113.1	D217 S240 I244 M437 L441	D217-T242 WeakPolarHBondContact OD1-CB 3.18Å; D217-T242 PolarHBondContact OD1-OG1 3.41Å; D217-T242 PolarHBondContact OD2-OG1 2.9Å; S240-T242 VanDerWaalsContact OG-CB 3.3Å; S240-T242 WeakPolarHBondContact OG-CB 3.2Å; S240-T242 PolarHBondContact OG-N 2.92Å; S240-T242 VanDerWaalsContact OG-N 3.1Å; S240-T242 PolarHBondContact OG-OG1 2.83Å; T242-I244 HydrophobicContact CG2-CG2 4.32Å; T242-I244 PolarHBondContact O-N 2.77Å; T242-M437 HydrophobicContact CG2-CE 4.16Å; T242-L441 HydrophobicContact CG2-CD2 4.37Å
243	G	92.4	Very high	93	Very high	19 Å²	19	29.9 Å²	29.9	20%	0.196	16%	0.156	C	C	.	.	S	Bend	trans	80.2	-10.6	-178.2	0	0	0	0	0	114.7	A181 S241	A181-G243 PolarHBondContact N-O 3.07Å; S241-G243 PolarHBondContact O-N 3.34Å
244	I	96.5	Very high	92.5	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.9	177.2	175.5	167.5	0	0	0	109.3	T178 I179 L180 I219 T242 L444	T178-I244 HydrophobicContact CG2-CD1 3.78Å; T178-I244 HydrophobicContact CG2-CG1 3.93Å; I179-I244 WeakPolarHBondContact O-CA 3.15Å; L180-I244 HydrophobicContact CD2-CB 4.22Å; L180-I244 HydrophobicContact CD2-CD1 3.88Å; L180-I244 HydrophobicContact CD2-CG1 4.01Å; I219-I244 HydrophobicContact CG1-CD1 3.81Å; T242-I244 HydrophobicContact CG2-CG2 4.32Å; T242-I244 PolarHBondContact O-N 2.77Å; I244-L444 HydrophobicContact CD1-CD2 4.06Å; I244-L444 HydrophobicContact CG2-CD1 3.88Å; I244-L444 HydrophobicContact CG2-CD2 4.39Å; I244-L444 HydrophobicContact CG2-CG 4.05Å
245	L	98	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	123	171.4	-176.5	70.9	0	0	0	107.6	I179 I187 L189 I215 I226	I179-L245 HydrophobicContact CD1-CD2 4.38Å; I179-L245 PolarHBondContact N-O 3.27Å; I179-L245 PolarHBondContact O-N 2.89Å; I179-L245 VanDerWaalsContact O-N 3.08Å; I187-L245 HydrophobicContact CD1-CB 3.83Å; I187-L245 HydrophobicContact CG2-CB 4.19Å; I187-L245 HydrophobicContact CG2-CD2 3.84Å; L189-L245 HydrophobicContact CB-CD2 3.95Å; L189-L245 HydrophobicContact CD2-CD2 3.86Å; I215-L245 HydrophobicContact CG2-CD1 4Å; I215-L245 HydrophobicContact CG2-CG 4.43Å; I226-L245 HydrophobicContact CD1-CD1 3.58Å
246	S	96.6	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.8	-176.9	-47	0	0	0	0	112.1	F177 T178 I215 W216 G218	F177-S246 CarbonylContact O-C 3.59Å; F177-S246 WeakPolarHBondContact O-CA 3.35Å; T178-S246 WeakPolarHBondContact CG2-OG 3.19Å; T178-S246 PolarHBondContact OG1-OG 3.46Å; I215-S246 WeakPolarHBondContact CA-O 3.4Å; W216-S246 PolarHBondContact N-O 3.38Å; W216-S246 PolarHBondContact O-N 2.98Å; W216-S246 VanDerWaalsContact O-N 3.09Å; G218-S246 VanDerWaalsContact O-CB 3.25Å; G218-S246 WeakPolarHBondContact O-CB 3.42Å; G218-S246 PolarHBondContact O-OG 2.68Å
247	L	97.3	Very high	91.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.3	171	-52	86.9	0	0	0	109.4	I160 T176 F177 L189 F191 L213 D214 I215	I160-L247 HydrophobicContact CD1-CD1 4.26Å; T176-L247 WeakPolarHBondContact CA-O 3.47Å; F177-L247 HydrophobicContact CB-CB 4.34Å; F177-L247 HydrophobicContact CB-CD1 4.27Å; F177-L247 PolarHBondContact N-O 2.74Å; F177-L247 PolarHBondContact O-N 3.1Å; L189-L247 HydrophobicContact CD2-CD1 4.3Å; L189-L247 HydrophobicContact CD2-CD2 4.2Å; F191-L247 HydrophobicContact CZ-CD2 3.85Å; L213-L247 HydrophobicContact CD1-CB 4Å; L213-L247 HydrophobicContact CD1-CD2 4.21Å; L213-L247 HydrophobicContact CD2-CD2 3.9Å; L213-L247 HydrophobicContact CG-CD2 4.22Å; D214-L247 CarbonylContact O-C 3.19Å; D214-L247 VanDerWaalsContact O-CA 3.26Å; D214-L247 WeakPolarHBondContact O-CA 3.32Å; I215-L247 HydrophobicContact CD1-CD2 4.31Å; I215-L247 HydrophobicContact CG1-CD2 4.18Å; I215-L247 HydrophobicContact CG1-CG 4.27Å; I215-L247 HydrophobicContact CG2-CG 4.38Å
248	T	93.8	Very high	91.6	Very high	12 Å²	12	30 Å²	30	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.5	168.6	46	0	0	0	0	109.8	C175 T176 L213 D214 W216 P220	C175-T248 WeakPolarHBondContact O-CA 3.47Å; T176-T248 HydrophobicContact CG2-CG2 4.38Å; L213-T248 WeakPolarHBondContact CA-O 3.34Å; D214-T248 WeakPolarHBondContact CB-OG1 3.23Å; D214-T248 PolarHBondContact N-O 2.91Å; D214-T248 PolarHBondContact O-N 3.23Å; W216-T248 PolarHBondContact NE1-OG1 2.78Å; P220-T248 HydrophobicContact CB-CG2 3.6Å; P220-T248 HydrophobicContact CG-CG2 3.56Å
249	F	94	Very high	91.6	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117	179	177.8	-130.1	0	0	0	109.3	Y169 L173 D174 C175 F177 L196 W212 L213 T251 F260	Y169-F249 AromaticContact CD1-CZ 3.92Å; Y169-F249 HydrophobicContact CD1-CZ 3.92Å; Y169-F249 HydrophobicContact CD2-CZ 4.07Å; Y169-F249 HydrophobicContact CE1-CZ 4.33Å; Y169-F249 HydrophobicContact CE2-CZ 4.47Å; Y169-F249 HydrophobicContact CG-CE1 4.36Å; Y169-F249 AromaticContact CG-CZ 3.76Å; Y169-F249 HydrophobicContact CG-CZ 3.76Å; L173-F249 HydrophobicContact CD1-CD1 4.37Å; L173-F249 HydrophobicContact CD1-CE1 3.88Å; D174-F249 CarbonylContact C-O 3.49Å; D174-F249 WeakPolarHBondContact CA-O 3.29Å; C175-F249 HydrophobicContact CB-CB 4.32Å; C175-F249 PolarHBondContact N-O 3.45Å; C175-F249 PolarHBondContact O-N 2.93Å; F177-F249 HydrophobicContact CE2-CB 4.05Å; L196-F249 HydrophobicContact CD1-CE2 4.48Å; L196-F249 HydrophobicContact CD2-CD2 4.23Å; L196-F249 HydrophobicContact CD2-CE2 3.84Å; L196-F249 HydrophobicContact CG-CE2 4.09Å; W212-F249 WeakPolarHBondContact O-CA 3.5Å; W212-F249 WeakPolarHBondContact O-CD2 3.42Å; L213-F249 HydrophobicContact CD1-CB 3.7Å; L213-F249 HydrophobicContact CD1-CD2 4.3Å; L213-F249 HydrophobicContact CD1-CG 4.4Å; F249-T251 HydrophobicContact CD1-CG2 4.38Å; F249-T251 HydrophobicContact CD2-CG2 4.47Å; F249-T251 HydrophobicContact CE1-CG2 3.65Å; F249-T251 HydrophobicContact CE2-CG2 3.73Å; F249-T251 HydrophobicContact CZ-CG2 3.27Å; F249-F260 HydrophobicContact CB-CE1 4.18Å; F249-F260 HydrophobicContact CD1-CE1 4.19Å; F249-F260 HydrophobicContact CD2-CD1 4.33Å; F249-F260 AromaticContact CD2-CE1 3.95Å; F249-F260 HydrophobicContact CD2-CE1 3.95Å; F249-F260 HydrophobicContact CE2-CD1 4.42Å; F249-F260 HydrophobicContact CE2-CE1 4.39Å; F249-F260 AromaticContact CG-CE1 3.85Å; F249-F260 HydrophobicContact CG-CE1 3.85Å
250	H	88.4	Confident	91.6	Very high	23 Å²	23	26.6 Å²	26.6	11%	0.106	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.9	176.7	-170	80.3	0	0	0	110.2	L173 D174 D211 W212	L173-H250 CarbonylContact O-C 3.56Å; L173-H250 WeakPolarHBondContact O-CA 3.23Å; D174-H250 VanDerWaalsContact CG-ND1 3.32Å; D174-H250 IonicContact OD1-CE1 2.72Å; D174-H250 IonicContact OD1-CG 2.66Å; D174-H250 IonicContact OD1-ND1 2.7Å; D174-H250 PolarHBondContact OD1-ND1 3.4Å; D174-H250 IonicContact OD2-CE1 2.89Å; D174-H250 IonicContact OD2-ND1 3.23Å; D174-H250 PolarHBondContact OD2-ND1 3.04Å; D211-H250 WeakPolarHBondContact CA-O 3.46Å; W212-H250 HydrophobicContact CD2-CB 3.64Å; W212-H250 VanDerWaalsContact CE2-CB 3.46Å; W212-H250 AromaticContact CE2-CG 3.94Å; W212-H250 HydrophobicContact CE3-CB 4.06Å; W212-H250 AromaticContact CE3-CD2 3.81Å; W212-H250 HydrophobicContact CG-CB 4.17Å; W212-H250 HydrophobicContact CH2-CB 4.09Å; W212-H250 AromaticContact CH2-CD2 3.38Å; W212-H250 WeakPolarHBondContact CH2-CD2 3.47Å; W212-H250 AromaticContact CH2-CG 3.62Å; W212-H250 AromaticContact CH2-NE2 3.85Å; W212-H250 HydrophobicContact CZ2-CB 3.71Å; W212-H250 AromaticContact CZ2-CD2 3.94Å; W212-H250 AromaticContact CZ2-CG 3.67Å; W212-H250 HydrophobicContact CZ3-CB 4.26Å; W212-H250 AromaticContact CZ3-CD2 3.32Å; W212-H250 WeakPolarHBondContact CZ3-CD2 3.44Å; W212-H250 AromaticContact CZ3-CG 3.89Å; W212-H250 PolarHBondContact N-O 2.83Å; W212-H250 PolarHBondContact O-N 2.81Å
251	T	87.6	Confident	91.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.159	C	C	.	.			trans	-132.9	143.1	168.2	73.1	0	0	0	0	113.2	Y169 P170 H171 N172 L173 D211 F249	Y169-T251 HydrophobicContact CD2-CG2 3.46Å; Y169-T251 VanDerWaalsContact CD2-CG2 3.46Å; Y169-T251 HydrophobicContact CE2-CG2 3.61Å; Y169-T251 HydrophobicContact CG-CG2 4.27Å; P170-T251 PolarHBondContact O-OG1 2.98Å; H171-T251 WeakPolarHBondContact CA-OG1 3.39Å; N172-T251 WeakPolarHBondContact CA-O 3.49Å; N172-T251 PolarHBondContact N-O 3.36Å; N172-T251 PolarHBondContact N-OG1 2.93Å; L173-T251 HydrophobicContact CB-CG2 4.15Å; L173-T251 WeakPolarHBondContact CB-OG1 3.32Å; L173-T251 PolarHBondContact N-OG1 2.96Å; L173-T251 PolarHBondContact O-N 3.05Å; D211-T251 WeakPolarHBondContact OD1-CA 3.21Å; D211-T251 VanDerWaalsContact OD1-CB 3.32Å; D211-T251 WeakPolarHBondContact OD1-CB 3.32Å; F249-T251 HydrophobicContact CD1-CG2 4.38Å; F249-T251 HydrophobicContact CD2-CG2 4.47Å; F249-T251 HydrophobicContact CE1-CG2 3.65Å; F249-T251 HydrophobicContact CE2-CG2 3.73Å; F249-T251 HydrophobicContact CZ-CG2 3.27Å
252	D	82.6	Confident	91.9	Very high	42 Å²	42	25.4 Å²	25.4	23%	0.225	15%	0.147	C	C	.	.			trans	-79.9	-175.5	-176.9	144.5	-73.2	0	0	0	111.8	H171 N172 D211 A254	H171-D252 CarbonylContact C-O 3.58Å; H171-D252 WeakPolarHBondContact CA-O 3.36Å; H171-D252 VanDerWaalsContact CB-O 3.28Å; H171-D252 WeakPolarHBondContact CB-O 3.3Å; N172-D252 PolarHBondContact N-O 2.98Å; D211-D252 PolarHBondContact OD1-N 2.82Å; D252-A254 PolarHBondContact O-N 2.82Å; D252-A254 WeakPolarHBondContact OD1-CA 3.26Å; D252-A254 WeakPolarHBondContact OD1-CB 3.25Å; D252-A254 PolarHBondContact OD1-N 2.79Å
253	M	80.1	Confident	92	Very high	146 Å²	146	30.2 Å²	30.2	72%	0.719	16%	0.163	S	C	*	.	S	Bend	trans	-73.5	-4.1	177.4	-71.5	-171.1	-72.3	0	0	115.1	N172	N172-M253 VanDerWaalsContact OD1-CG 3.28Å; N172-M253 WeakPolarHBondContact OD1-CG 3.36Å
254	A	78.4	Confident	92.3	Very high	42 Å²	42	29.4 Å²	29.4	35%	0.347	15%	0.154	S	C	.	.	S	Bend	trans	-145.5	-172.2	-166.4	0	0	0	0	0	113.8	H171 D252 A256	H171-A254 PolarHBondContact CE1-O 3Å; H171-A254 VanDerWaalsContact ND1-C 3.35Å; H171-A254 PolarHBondContact ND1-N 2.74Å; H171-A254 PolarHBondContact ND1-O 3.01Å; D252-A254 PolarHBondContact O-N 2.82Å; D252-A254 WeakPolarHBondContact OD1-CA 3.26Å; D252-A254 WeakPolarHBondContact OD1-CB 3.25Å; D252-A254 PolarHBondContact OD1-N 2.79Å; A254-A256 PolarHBondContact O-N 2.96Å
255	V	85.2	Confident	92.3	Very high	80 Å²	80	32.8 Å²	32.8	49%	0.485	17%	0.167	S	C	.	.			trans	36.1	49.5	167	-154.2	0	0	0	0	118.6	E197	E197-V255 WeakPolarHBondContact OE1-CB 3.38Å; E197-V255 VanDerWaalsContact OE1-CG1 3.3Å; E197-V255 WeakPolarHBondContact OE1-CG1 3.45Å; E197-V255 WeakPolarHBondContact OE1-CG2 3.07Å
256	A	88.8	Confident	92.3	Very high	12 Å²	12	33.9 Å²	33.9	10%	0.099	17%	0.173	C	C	.	.			trans	-61	141.5	175.9	0	0	0	0	0	113.4	K168 Y169 A254	K168-A256 HydrophobicContact CB-CB 4.16Å; K168-A256 WeakPolarHBondContact CD-O 3.29Å; K168-A256 WeakPolarHBondContact CE-O 3.28Å; K168-A256 PolarHBondContact NZ-O 3.42Å; Y169-A256 HydrophobicContact CD2-CB 3.92Å; Y169-A256 HydrophobicContact CE2-CB 3.92Å; Y169-A256 WeakPolarHBondContact O-CB 3.16Å; A254-A256 PolarHBondContact O-N 2.96Å
257	K	93.3	Very high	92.2	Very high	47 Å²	47	36.6 Å²	36.6	20%	0.204	19%	0.189	C	C	.	.			trans	-113.6	-174.2	174.8	-63.4	-55.8	-136	73.6	0	111.5	K168 Y169 D195 G259	K168-K257 VanDerWaalsContact CA-O 3.28Å; K168-K257 WeakPolarHBondContact CA-O 3.29Å; Y169-K257 WeakPolarHBondContact CD1-O 3.4Å; Y169-K257 HydrophobicContact CE1-CB 3.74Å; Y169-K257 VanDerWaalsContact CE1-O 3.27Å; Y169-K257 WeakPolarHBondContact CE1-O 3.39Å; Y169-K257 PolarHBondContact N-O 2.9Å; Y169-K257 WeakPolarHBondContact OH-CB 3.42Å; Y169-K257 PolarHBondContact OH-N 3.22Å; D195-K257 WeakPolarHBondContact O-CB 3.32Å; D195-K257 IonicContact OD1-NZ 2.74Å; D195-K257 PolarHBondContact OD1-NZ 2.74Å; D195-K257 WeakPolarHBondContact OD2-CB 3.31Å; D195-K257 IonicContact OD2-NZ 2.62Å; D195-K257 PolarHBondContact OD2-NZ 3.09Å; K257-G259 PolarHBondContact O-N 3.09Å
258	D	93.1	Very high	92	Very high	81 Å²	81	41.2 Å²	41.2	43%	0.433	21%	0.211	S	C	.	.			trans	-73.4	-14.3	-174.9	-59.9	2.2	0	0	0	112.3	F165	F165-D258 VanDerWaalsContact CD2-O 3.31Å; F165-D258 WeakPolarHBondContact CD2-O 3.22Å
259	G	95.1	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.4	-146.3	169.9	0	0	0	0	0	113.7	S162 Y169 F194 D195 K257	S162-G259 WeakPolarHBondContact OG-CA 3.47Å; Y169-G259 VanDerWaalsContact CD1-CA 3.43Å; F194-G259 CarbonylContact C-O 3.44Å; F194-G259 WeakPolarHBondContact CA-O 3.1Å; D195-G259 PolarHBondContact N-O 2.81Å; D195-G259 WeakPolarHBondContact O-CA 3.27Å; D195-G259 PolarHBondContact O-N 3.48Å; K257-G259 PolarHBondContact O-N 3.09Å
260	F	97.6	Very high	91	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.9	-178.4	76.7	-89.5	0	0	0	112.9	I160 E161 S162 F177 F191 I193 F194 L213 F249	I160-F260 HydrophobicContact CG2-CE2 4.16Å; E161-F260 VanDerWaalsContact CA-O 3.25Å; E161-F260 WeakPolarHBondContact CA-O 3.48Å; S162-F260 PolarHBondContact N-O 3.28Å; S162-F260 PolarHBondContact OG-N 2.7Å; S162-F260 PolarHBondContact OG-O 3.49Å; F177-F260 HydrophobicContact CD2-CZ 4.07Å; F177-F260 HydrophobicContact CE2-CE1 4.38Å; F177-F260 AromaticContact CE2-CZ 3.78Å; F177-F260 HydrophobicContact CE2-CZ 3.78Å; F191-F260 HydrophobicContact CD1-CB 4.49Å; F191-F260 HydrophobicContact CD1-CD2 4.34Å; F191-F260 HydrophobicContact CE1-CB 4.46Å; F191-F260 AromaticContact CE1-CD2 3.84Å; F191-F260 HydrophobicContact CE1-CD2 3.84Å; F191-F260 HydrophobicContact CE1-CE2 4.46Å; F191-F260 HydrophobicContact CE1-CG 4.34Å; I193-F260 VanDerWaalsContact O-CA 3.28Å; I193-F260 WeakPolarHBondContact O-CA 3.31Å; F194-F260 HydrophobicContact CD2-CB 3.74Å; F194-F260 HydrophobicContact CE2-CB 4.42Å; L213-F260 HydrophobicContact CD1-CE1 3.88Å; L213-F260 HydrophobicContact CD1-CZ 4Å; L213-F260 HydrophobicContact CD2-CD1 4.18Å; L213-F260 HydrophobicContact CD2-CD2 4.28Å; L213-F260 HydrophobicContact CD2-CE1 4.2Å; L213-F260 HydrophobicContact CD2-CE2 4.3Å; L213-F260 HydrophobicContact CD2-CG 4.22Å; L213-F260 HydrophobicContact CD2-CZ 4.26Å; F249-F260 HydrophobicContact CB-CE1 4.18Å; F249-F260 HydrophobicContact CD1-CE1 4.19Å; F249-F260 HydrophobicContact CD2-CD1 4.33Å; F249-F260 AromaticContact CD2-CE1 3.95Å; F249-F260 HydrophobicContact CD2-CE1 3.95Å; F249-F260 HydrophobicContact CE2-CD1 4.42Å; F249-F260 HydrophobicContact CE2-CE1 4.39Å; F249-F260 AromaticContact CG-CE1 3.85Å; F249-F260 HydrophobicContact CG-CE1 3.85Å
261	S	97.8	Very high	90.1	Very high	11 Å²	11	49.2 Å²	49.2	8%	0.077	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.6	167.1	-172.7	0	0	0	0	109.3	F165 L192 I193	F165-S261 VanDerWaalsContact CE1-CB 3.49Å; L192-S261 WeakPolarHBondContact CB-O 3.32Å; L192-S261 PolarHBondContact N-O 2.91Å; I193-S261 PolarHBondContact N-O 2.91Å; I193-S261 PolarHBondContact O-N 2.95Å
262	A	97.9	Very high	89.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.4	-176.5	0	0	0	0	0	110.5	T159 I160 L189 Q190 F191	T159-A262 CarbonylContact C-O 3.43Å; T159-A262 VanDerWaalsContact CA-O 3.3Å; T159-A262 WeakPolarHBondContact CA-O 3.25Å; T159-A262 WeakPolarHBondContact CG2-O 3.43Å; I160-A262 PolarHBondContact N-O 2.77Å; I160-A262 PolarHBondContact O-N 2.73Å; L189-A262 HydrophobicContact CD1-CB 4.08Å; Q190-A262 CarbonylContact O-C 3.48Å; Q190-A262 VanDerWaalsContact O-CA 3.25Å; Q190-A262 WeakPolarHBondContact O-CA 3.18Å; Q190-A262 WeakPolarHBondContact O-CB 3.37Å; F191-A262 HydrophobicContact CD1-CB 3.79Å; F191-A262 HydrophobicContact CD2-CB 4.46Å; F191-A262 HydrophobicContact CE1-CB 3.98Å; F191-A262 HydrophobicContact CG-CB 4.05Å; F191-A262 HydrophobicContact CZ-CB 4.4Å
263	R	97.9	Very high	88.7	Confident	114 Å²	114	62.2 Å²	62.2	43%	0.43	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.4	171.5	-73.4	178.6	-174.8	-178.1	3.3	110.4	G158 Q190 L192 Y265	G158-R263 WeakPolarHBondContact O-CA 3.24Å; Q190-R263 PolarHBondContact N-O 2.89Å; Q190-R263 PolarHBondContact O-N 2.74Å; L192-R263 HydrophobicContact CD1-CB 4.09Å; L192-R263 HydrophobicContact CD1-CG 3.81Å; R263-Y265 HydrophobicContact CB-CE2 4.21Å
264	Y	98.3	Very high	88.1	Confident	3 Å²	3	59.8 Å²	59.8	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.8	170.8	79.2	-81.5	0	0	0	111.5	F153 S155 N157 G158 I160 I179 I188 L266	F153-Y264 HydrophobicContact CB-CE1 3.96Å; F153-Y264 HydrophobicContact CB-CE2 4.41Å; F153-Y264 AromaticContact CD1-CE1 3.69Å; F153-Y264 HydrophobicContact CD1-CE1 3.69Å; F153-Y264 HydrophobicContact CE1-CE1 4.47Å; F153-Y264 HydrophobicContact CG-CE1 4.02Å; S155-Y264 WeakPolarHBondContact CB-OH 3.42Å; S155-Y264 VanDerWaalsContact O-CE2 3.29Å; S155-Y264 WeakPolarHBondContact O-CE2 3.49Å; S155-Y264 PolarHBondContact O-OH 3.18Å; N157-Y264 VanDerWaalsContact CA-O 3.29Å; N157-Y264 WeakPolarHBondContact CA-O 3.46Å; N157-Y264 PolarHBondContact O-OH 3.34Å; G158-Y264 VanDerWaalsContact CA-CE1 3.44Å; G158-Y264 PolarHBondContact N-O 2.89Å; G158-Y264 VanDerWaalsContact N-O 3.09Å; G158-Y264 WeakPolarHBondContact O-CD1 3.32Å; G158-Y264 PolarHBondContact O-N 2.71Å; I160-Y264 HydrophobicContact CD1-CD1 4.04Å; I160-Y264 HydrophobicContact CG1-CD1 3.98Å; I160-Y264 HydrophobicContact CG1-CE1 4.4Å; I179-Y264 HydrophobicContact CD1-CD1 4.38Å; I179-Y264 HydrophobicContact CD1-CD2 4.25Å; I179-Y264 HydrophobicContact CD1-CG 3.85Å; I179-Y264 HydrophobicContact CG1-CD2 4.39Å; I179-Y264 HydrophobicContact CG1-CG 4.24Å; I179-Y264 HydrophobicContact CG2-CD2 3.77Å; I179-Y264 HydrophobicContact CG2-CE2 3.99Å; I179-Y264 HydrophobicContact CG2-CG 4.44Å; I188-Y264 CarbonylContact O-C 3.14Å; I188-Y264 WeakPolarHBondContact O-CA 3.33Å; I188-Y264 WeakPolarHBondContact O-CB 3.35Å; Y264-L266 HydrophobicContact CD2-CD2 4.06Å; Y264-L266 HydrophobicContact CD2-CG 4.32Å; Y264-L266 HydrophobicContact CE2-CD2 4.23Å; Y264-L266 HydrophobicContact CE2-CG 4.14Å
265	Y	97.5	Very high	88	Confident	74 Å²	74	61 Å²	61	29%	0.29	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.9	176.2	-48.8	-87.5	0	0	0	108.8	N157 I188 R263	N157-Y265 HydrophobicContact CB-CD1 3.83Å; N157-Y265 HydrophobicContact CB-CE1 4.38Å; I188-Y265 PolarHBondContact N-O 2.83Å; I188-Y265 PolarHBondContact O-N 3.1Å; R263-Y265 HydrophobicContact CB-CE2 4.21Å
266	L	97.1	Very high	88	Confident	23 Å²	23	62.9 Å²	62.9	12%	0.12	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	107.1	171.5	-53.5	-174.1	0	0	0	107.7	S155 P156 I179 A181 M185 E186 I187 Y264	S155-L266 VanDerWaalsContact O-CD1 3.28Å; S155-L266 WeakPolarHBondContact O-CD1 3.44Å; P156-L266 PolarHBondContact O-N 3.1Å; I179-L266 HydrophobicContact CG2-CD2 3.87Å; A181-L266 HydrophobicContact CB-CD2 4.02Å; M185-L266 VanDerWaalsContact CE-C 3.45Å; M185-L266 HydrophobicContact CE-CB 3.65Å; M185-L266 WeakPolarHBondContact CE-O 3.31Å; E186-L266 WeakPolarHBondContact O-CA 3.5Å; I187-L266 HydrophobicContact CB-CD2 4.38Å; I187-L266 HydrophobicContact CG1-CD2 3.8Å; I187-L266 HydrophobicContact CG2-CD2 4.43Å; Y264-L266 HydrophobicContact CD2-CD2 4.06Å; Y264-L266 HydrophobicContact CD2-CG 4.32Å; Y264-L266 HydrophobicContact CE2-CD2 4.23Å; Y264-L266 HydrophobicContact CE2-CG 4.14Å
267	V	95.3	Very high	88.2	Confident	57 Å²	57	64 Å²	64	35%	0.345	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.2	-176.4	-179	0	0	0	0	109.9	M185 E186 I188	M185-V267 CarbonylContact C-O 3.56Å; M185-V267 WeakPolarHBondContact CA-O 3.33Å; E186-V267 PolarHBondContact N-O 2.8Å; E186-V267 PolarHBondContact O-N 2.93Å; I188-V267 HydrophobicContact CD1-CB 4.27Å; I188-V267 HydrophobicContact CD1-CG2 3.55Å; I188-V267 HydrophobicContact CG1-CG2 4.2Å
268	H	92.3	Very high	88.2	Confident	96 Å²	96	65.8 Å²	65.8	44%	0.444	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145	178.5	-169.7	63.3	0	0	0	111.6	M185 E270	M185-H268 HydrophobicContact CE-CB 4.42Å; M185-H268 HydrophobicContact SD-CB 3.93Å; H268-E270 IonicContact CD2-OE1 3.37Å; H268-E270 IonicContact CE1-OE1 3.81Å; H268-E270 IonicContact NE2-OE1 3.02Å; H268-E270 PolarHBondContact NE2-OE1 2.81Å
269	Q	86.3	Confident	88.4	Confident	56 Å²	56	65.1 Å²	65.1	26%	0.262	32%	0.321	S	S	.	.			trans	-130.3	115.5	179.8	-58.9	-71.5	-92.5	0	0	108.9	K184 E186 P271	K184-Q269 WeakPolarHBondContact CB-O 3.49Å; K184-Q269 WeakPolarHBondContact O-CB 3.25Å; K184-Q269 PolarHBondContact O-N 2.81Å; E186-Q269 HydrophobicContact CB-CG 3.92Å; Q269-P271 WeakPolarHBondContact O-CD 3.28Å
270	E	81.2	Confident	88.5	Confident	113 Å²	113	68.2 Å²	68.2	53%	0.528	34%	0.341	S	S	.	.			trans	-93	113.2	168.7	-77.7	-58.9	157.2	0	0	110.3	K184 H268 L272	K184-E270 VanDerWaalsContact NZ-CD 3.27Å; K184-E270 IonicContact NZ-OE1 3.65Å; K184-E270 PolarHBondContact NZ-OE1 3.28Å; K184-E270 VanDerWaalsContact NZ-OE1 3.1Å; K184-E270 IonicContact NZ-OE2 2.72Å; K184-E270 PolarHBondContact NZ-OE2 2.78Å; H268-E270 IonicContact CD2-OE1 3.37Å; H268-E270 IonicContact CE1-OE1 3.81Å; H268-E270 IonicContact NE2-OE1 3.02Å; H268-E270 PolarHBondContact NE2-OE1 2.81Å; E270-L272 PolarHBondContact O-N 3.27Å
271	P	68.6	Low	88.5	Confident	36 Å²	36	69.5 Å²	69.5	23%	0.234	35%	0.348	C	S	.	.			trans	-73.1	113.5	175.4	29.3	-32.3	0	0	0	109.6	Q269 D431	Q269-P271 WeakPolarHBondContact O-CD 3.28Å; P271-D431 VanDerWaalsContact CB-O 3.31Å; P271-D431 WeakPolarHBondContact CB-O 3.39Å
272	L	75.8	Confident	88.5	Confident	123 Å²	123	69 Å²	69	64%	0.644	34%	0.344	S	S	*	.			trans	-63.8	139.2	178	-61.3	175.4	0	0	0	111	E270 N274 F275	E270-L272 PolarHBondContact O-N 3.27Å; L272-N274 PolarHBondContact O-N 3.32Å; L272-F275 HydrophobicContact CB-CB 4.39Å; L272-F275 VanDerWaalsContact O-CB 3.22Å; L272-F275 WeakPolarHBondContact O-CB 3.39Å; L272-F275 PolarHBondContact O-N 3.07Å
273	E	65.4	Low	88.5	Confident	193 Å²	193	69 Å²	69	90%	0.902	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.7	-176.6	-59.4	-167.6	145.4	0	0	112.5	F275	E273-F275 PolarHBondContact O-N 3.48Å
274	N	67.3	Low	88.5	Confident	95 Å²	95	68.6 Å²	68.6	51%	0.508	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	49.6	170.5	-165.8	0.1	0	0	0	112.1	L272 E798	L272-N274 PolarHBondContact O-N 3.32Å; N274-E798 PolarHBondContact ND2-OE1 3.42Å
275	F	75.6	Confident	88.4	Confident	67 Å²	67	72.4 Å²	72.4	29%	0.294	38%	0.375	S	S	.	.			trans	-81.1	123.4	175.8	176.3	-102.1	0	0	0	112.3	L272 E273 C277 V279 C427 D431	L272-F275 HydrophobicContact CB-CB 4.39Å; L272-F275 VanDerWaalsContact O-CB 3.22Å; L272-F275 WeakPolarHBondContact O-CB 3.39Å; L272-F275 PolarHBondContact O-N 3.07Å; E273-F275 PolarHBondContact O-N 3.48Å; F275-C277 HydrophobicContact CE1-CB 4.35Å; F275-V279 HydrophobicContact CE2-CG2 3.84Å; F275-V279 HydrophobicContact CZ-CG2 4.02Å; F275-C427 HydrophobicContact CE1-CB 3.49Å; F275-C427 VanDerWaalsContact CE1-CB 3.49Å; F275-C427 HydrophobicContact CZ-CB 3.54Å; F275-D431 HydrophobicContact CD1-CB 3.94Å; F275-D431 HydrophobicContact CE1-CB 3.46Å; F275-D431 VanDerWaalsContact CE1-CB 3.46Å; F275-D431 HydrophobicContact CE2-CB 4.48Å; F275-D431 HydrophobicContact CZ-CB 3.77Å
276	Q	86.4	Confident	88.3	Confident	120 Å²	120	70.8 Å²	70.8	56%	0.561	38%	0.381	S	S	*	.			trans	-96.1	132.2	169.4	-63.2	-168.6	17.6	0	0	111.2	N278	Q276-N278 PolarHBondContact O-N 2.78Å; Q276-N278 PolarHBondContact O-OD1 3.32Å; Q276-N278 PolarHBondContact OE1-ND2 2.74Å
277	C	91.9	Very high	88.2	Confident	36 Å²	36	76.2 Å²	76.2	24%	0.243	40%	0.4	C	S	.	.	S	Bend	trans	-78.2	63.6	177.7	-170.9	0	0	0	0	111.5	F275 T340 G426 C427	F275-C277 HydrophobicContact CE1-CB 4.35Å; C277-T340 HydrophobicContact CB-CG2 4.19Å; C277-T340 WeakPolarHBondContact O-CB 3.42Å; C277-T340 WeakPolarHBondContact O-CG2 3.42Å; C277-T340 PolarHBondContact O-OG1 2.87Å; C277-T340 VanDerWaalsContact SG-CG2 3.6Å; C277-G426 CarbonylContact C-O 3.6Å; C277-C427 HydrophobicContact CB-CB 3.84Å; C277-C427 WeakPolarHBondContact CB-SG 3.43Å; C277-C427 WeakPolarHBondContact SG-CB 3.18Å; C277-C427 PolarHBondContact SG-N 2.92Å; C277-C427 VanDerWaalsContact SG-N 3.39Å; C277-C427 CovalentContact SG-SG 2.04Å; C277-C427 PolarHBondContact SG-SG 3.5Å
278	N	94.7	Very high	88.3	Confident	83 Å²	83	73.7 Å²	73.7	44%	0.444	38%	0.384	S	S	.	.			trans	-138.5	21.4	-174.4	65.1	6.6	0	0	0	113.2	Q276 F425 G426	Q276-N278 PolarHBondContact O-N 2.78Å; Q276-N278 PolarHBondContact O-OD1 3.32Å; Q276-N278 PolarHBondContact OE1-ND2 2.74Å; N278-F425 WeakPolarHBondContact O-CD1 3.35Å; N278-G426 PolarHBondContact N-O 3.11Å
279	V	95.6	Very high	88.5	Confident	67 Å²	67	69.9 Å²	69.9	41%	0.406	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.5	-177.9	-174.9	0	0	0	0	109.8	F275 L281 F425 G426	F275-V279 HydrophobicContact CE2-CG2 3.84Å; F275-V279 HydrophobicContact CZ-CG2 4.02Å; V279-L281 PolarHBondContact O-N 2.82Å; V279-F425 CarbonylContact O-C 3.54Å; V279-F425 WeakPolarHBondContact O-CA 3.47Å; V279-G426 PolarHBondContact N-O 2.86Å; V279-G426 PolarHBondContact O-N 3.46Å
280	P	97.8	Very high	88.9	Confident	65 Å²	65	70.7 Å²	70.7	42%	0.422	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	128.2	171.8	26	-33.7	0	0	0	110.4	G282 E423 F425	P280-G282 VanDerWaalsContact C-N 3.34Å; P280-E423 HydrophobicContact CB-CG 3.89Å; P280-F425 HydrophobicContact CB-CD1 4.08Å; P280-F425 HydrophobicContact CB-CE1 3.84Å; P280-F425 HydrophobicContact CG-CE1 4.45Å
281	L	97.5	Very high	89.5	Confident	27 Å²	27	68.9 Å²	68.9	14%	0.141	37%	0.367	C	S	.	.			trans	-75.4	-25.5	-175.4	-61.4	-179.8	0	0	0	111.9	V279 I288 L333 T337 L339 L424	V279-L281 PolarHBondContact O-N 2.82Å; L281-I288 HydrophobicContact CB-CD1 4.07Å; L281-L333 HydrophobicContact CB-CD2 4.5Å; L281-L333 HydrophobicContact CD1-CD1 3.99Å; L281-L333 HydrophobicContact CD1-CD2 4.11Å; L281-T337 HydrophobicContact CD1-CG2 3.85Å; L281-T337 HydrophobicContact CD2-CG2 3.84Å; L281-L339 HydrophobicContact CD1-CD1 4.42Å; L281-L424 HydrophobicContact CB-CB 4.39Å; L281-L424 WeakPolarHBondContact CB-O 3.31Å; L281-L424 HydrophobicContact CD1-CB 3.98Å; L281-L424 HydrophobicContact CG-CB 4.44Å; L281-L424 WeakPolarHBondContact CG-O 3.39Å; L281-L424 PolarHBondContact N-O 3.03Å
282	G	97.5	Very high	90.8	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	124.1	40.8	156.6	0	0	0	0	0	116.1	P280 S285 G286 R287 I288 E423	P280-G282 VanDerWaalsContact C-N 3.34Å; G282-S285 WeakPolarHBondContact CA-OG 3.26Å; G282-G286 PolarHBondContact O-N 3.47Å; G282-R287 PolarHBondContact O-N 2.86Å; G282-I288 WeakPolarHBondContact O-CB 3.38Å; G282-I288 PolarHBondContact O-N 2.87Å; G282-E423 PolarHBondContact N-OE1 2.77Å
283	M	98.1	Very high	91.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-62.8	-47.2	163.7	-64.7	-67	-67.4	0	0	110.4	I288 I293 S309 R310 V331 L422 E423	M283-I288 HydrophobicContact CG-CD1 4.1Å; M283-I288 HydrophobicContact SD-CB 4.35Å; M283-I288 HydrophobicContact SD-CD1 4.03Å; M283-I288 HydrophobicContact SD-CG2 4Å; M283-I293 HydrophobicContact CE-CD1 3.73Å; M283-I293 HydrophobicContact CE-CG1 4.17Å; M283-I293 HydrophobicContact CE-CG2 4.39Å; M283-I293 HydrophobicContact SD-CD1 3.99Å; M283-I293 HydrophobicContact SD-CG1 4.18Å; M283-S309 WeakPolarHBondContact CE-OG 3.38Å; M283-R310 WeakPolarHBondContact O-CB 3.35Å; M283-R310 VanDerWaalsContact O-CD 3.23Å; M283-R310 WeakPolarHBondContact O-CD 3.13Å; M283-R310 WeakPolarHBondContact O-CG 3.31Å; M283-R310 PolarHBondContact O-NH1 2.84Å; M283-V331 HydrophobicContact CE-CG2 4.26Å; M283-V331 HydrophobicContact SD-CG1 4.34Å; M283-V331 HydrophobicContact SD-CG2 3.81Å; M283-L422 WeakPolarHBondContact CB-O 3.35Å; M283-L422 HydrophobicContact CE-CB 4.37Å; M283-L422 HydrophobicContact CE-CD2 4.32Å; M283-L422 WeakPolarHBondContact CG-O 3.31Å; M283-E423 HydrophobicContact CB-CB 4.48Å; M283-E423 WeakPolarHBondContact CB-OE1 3.45Å; M283-E423 WeakPolarHBondContact CG-OE1 3.44Å; M283-E423 VanDerWaalsContact N-CD 3.29Å; M283-E423 PolarHBondContact N-OE1 2.88Å; M283-E423 PolarHBondContact N-OE2 3.13Å
284	E	97.7	Very high	93.5	Very high	106 Å²	106	55.4 Å²	55.4	50%	0.495	30%	0.303	S	S	.	.	S	Bend	trans	-73.2	-45	179.3	-175.4	173.6	-174.2	0	0	111.6	G286 L311 H312 E423	E284-G286 PolarHBondContact O-N 3.42Å; E284-L311 HydrophobicContact CB-CB 4.41Å; E284-H312 IonicContact OE1-CD2 2.73Å; E284-H312 PolarHBondContact OE1-CD2 2.77Å; E284-H312 IonicContact OE1-CG 2.89Å; E284-H312 IonicContact OE2-CD2 3.04Å; E284-E423 PolarHBondContact N-OE2 3.14Å
285	S	96.8	Very high	94.9	Very high	83 Å²	83	52 Å²	52	58%	0.58	29%	0.288	S	S	*	.	S	Bend	trans	-76.7	0.6	-175.5	66.7	0	0	0	0	115.3	G282 R287	G282-S285 WeakPolarHBondContact CA-OG 3.26Å; S285-R287 PolarHBondContact O-N 2.95Å; S285-R287 VanDerWaalsContact O-N 3.14Å
286	G	94.9	Very high	96	Very high	41 Å²	41	50.8 Å²	50.8	42%	0.423	29%	0.288	S	S	.	.	S	Bend	trans	73.5	-6.1	-178.6	0	0	0	0	0	115.6	G282 E284 I288	G282-G286 PolarHBondContact O-N 3.47Å; E284-G286 PolarHBondContact O-N 3.42Å; G286-I288 CarbonylContact O-C 3.59Å; G286-I288 PolarHBondContact O-N 2.82Å
287	R	95.3	Very high	96.5	Very high	136 Å²	136	46.6 Å²	46.6	51%	0.513	27%	0.272	S	S	.	.			trans	-61.5	-29.1	178.4	-179.9	179.5	-67.7	-123.9	-2.4	112.7	G282 S285	G282-R287 PolarHBondContact O-N 2.86Å; S285-R287 PolarHBondContact O-N 2.95Å; S285-R287 VanDerWaalsContact O-N 3.14Å
288	I	97.9	Very high	96.8	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	28%	0.275	C	S	.	.	S	Bend	trans	-84.9	107.7	163.2	-62	176.2	0	0	0	106.8	L281 G282 M283 G286 Q292 I293 R310 V331 L333	L281-I288 HydrophobicContact CB-CD1 4.07Å; G282-I288 WeakPolarHBondContact O-CB 3.38Å; G282-I288 PolarHBondContact O-N 2.87Å; M283-I288 HydrophobicContact CG-CD1 4.1Å; M283-I288 HydrophobicContact SD-CB 4.35Å; M283-I288 HydrophobicContact SD-CD1 4.03Å; M283-I288 HydrophobicContact SD-CG2 4Å; G286-I288 CarbonylContact O-C 3.59Å; G286-I288 PolarHBondContact O-N 2.82Å; I288-Q292 HydrophobicContact CG2-CB 3.69Å; I288-I293 HydrophobicContact CG2-CD1 4.3Å; I288-I293 HydrophobicContact CG2-CG1 3.94Å; I288-R310 VanDerWaalsContact O-CZ 3.27Å; I288-R310 PolarHBondContact O-NH1 2.96Å; I288-R310 PolarHBondContact O-NH2 3.11Å; I288-V331 HydrophobicContact CD1-CG1 4.13Å; I288-V331 HydrophobicContact CG2-CG1 3.79Å; I288-L333 HydrophobicContact CD1-CD2 3.85Å
289	A	96.5	Very high	96.8	Very high	16 Å²	16	48.3 Å²	48.3	13%	0.132	27%	0.274	C	S	.	.			trans	-69.8	167	-175.2	0	0	0	0	0	113	E291 Q292	A289-E291 WeakPolarHBondContact CB-OE2 3.37Å; A289-E291 PolarHBondContact O-N 2.6Å; A289-Q292 WeakPolarHBondContact O-CB 3.3Å; A289-Q292 PolarHBondContact O-N 2.92Å; A289-Q292 VanDerWaalsContact O-N 3.08Å
290	N	95.4	Very high	96.8	Very high	73 Å²	73	49.9 Å²	49.9	39%	0.39	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.1	-26.5	-179.1	-74.7	-15.1	0	0	0	112.5	Q292 I293 Q307 R310	N290-Q292 PolarHBondContact O-N 3.07Å; N290-I293 PolarHBondContact O-N 3.03Å; N290-Q307 HydrophobicContact CB-CG 3.66Å; N290-Q307 PolarHBondContact O-NE2 3.02Å; N290-R310 PolarHBondContact OD1-NH2 2.93Å
291	E	92.8	Very high	96.5	Very high	75 Å²	75	50.9 Å²	50.9	35%	0.35	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-75.1	-9	177.4	-63.1	60.7	-132.1	0	0	112.9	A289 R334	A289-E291 WeakPolarHBondContact CB-OE2 3.37Å; A289-E291 PolarHBondContact O-N 2.6Å; E291-R334 VanDerWaalsContact C-NH2 3.35Å; E291-R334 PolarHBondContact O-NH2 3.33Å
292	Q	96.9	Very high	96.3	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.065	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-98	-12.9	176.2	-69.9	174.6	-103.9	0	0	112.3	I288 A289 N290 V331 D332 R334	I288-Q292 HydrophobicContact CG2-CB 3.69Å; A289-Q292 WeakPolarHBondContact O-CB 3.3Å; A289-Q292 PolarHBondContact O-N 2.92Å; A289-Q292 VanDerWaalsContact O-N 3.08Å; N290-Q292 PolarHBondContact O-N 3.07Å; Q292-V331 CarbonylContact O-C 3.56Å; Q292-V331 WeakPolarHBondContact O-CA 3.4Å; Q292-D332 WeakPolarHBondContact CB-O 3.18Å; Q292-D332 VanDerWaalsContact CG-O 3.29Å; Q292-D332 WeakPolarHBondContact CG-O 3.23Å; Q292-D332 PolarHBondContact NE2-O 2.93Å; Q292-D332 PolarHBondContact O-N 3.44Å; Q292-R334 HydrophobicContact CG-CG 4.19Å
293	I	98.4	Very high	96.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.4	-173.3	-50.8	167.5	0	0	0	109.2	M283 I288 N290 P306 Q307 L329 Q330	M283-I293 HydrophobicContact CE-CD1 3.73Å; M283-I293 HydrophobicContact CE-CG1 4.17Å; M283-I293 HydrophobicContact CE-CG2 4.39Å; M283-I293 HydrophobicContact SD-CD1 3.99Å; M283-I293 HydrophobicContact SD-CG1 4.18Å; I288-I293 HydrophobicContact CG2-CD1 4.3Å; I288-I293 HydrophobicContact CG2-CG1 3.94Å; N290-I293 PolarHBondContact O-N 3.03Å; I293-P306 HydrophobicContact CG2-CB 3.98Å; I293-P306 VanDerWaalsContact CG2-O 3.29Å; I293-P306 WeakPolarHBondContact CG2-O 3.39Å; I293-Q307 PolarHBondContact O-NE2 3.39Å; I293-L329 HydrophobicContact CG2-CD1 4.05Å; I293-Q330 WeakPolarHBondContact CA-O 3.11Å
294	S	97.9	Very high	96.2	Very high	51 Å²	51	56.3 Å²	56.3	36%	0.357	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	176.7	179.7	67.1	0	0	0	0	111	Q330	S294-Q330 PolarHBondContact N-O 3.39Å; S294-Q330 PolarHBondContact O-N 3.27Å; S294-Q330 VanDerWaalsContact O-O 3.08Å
295	A	98.2	Very high	96.2	Very high	24 Å²	24	53 Å²	53	20%	0.198	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	167.6	-179.1	0	0	0	0	0	111.9	S297 P306 W318 Y328 L329	A295-S297 VanDerWaalsContact C-N 3.25Å; A295-S297 WeakPolarHBondContact CB-O 3.49Å; A295-S297 PolarHBondContact O-N 3.19Å; A295-P306 HydrophobicContact CB-CB 4.36Å; A295-P306 HydrophobicContact CB-CG 3.76Å; A295-W318 HydrophobicContact CB-CZ2 3.83Å; A295-W318 VanDerWaalsContact CB-NE1 3.31Å; A295-Y328 CarbonylContact C-O 3.48Å; A295-Y328 VanDerWaalsContact CA-O 3.23Å; A295-Y328 WeakPolarHBondContact CA-O 3.31Å; A295-Y328 WeakPolarHBondContact CB-O 3.41Å; A295-L329 HydrophobicContact CB-CD1 4.45Å
296	S	97.6	Very high	96.3	Very high	42 Å²	42	49.8 Å²	49.8	29%	0.294	29%	0.286	S	S	.	.	S	Bend	trans	-59.9	-37.3	169.2	54.2	0	0	0	0	112.6	E327 Y328	S296-E327 WeakPolarHBondContact CB-OE2 3.31Å; S296-E327 VanDerWaalsContact OG-CA 3.26Å; S296-E327 WeakPolarHBondContact OG-CA 3.29Å; S296-E327 WeakPolarHBondContact OG-CB 3.29Å; S296-E327 PolarHBondContact OG-OE2 3.22Å; S296-Y328 PolarHBondContact N-O 3.29Å; S296-Y328 PolarHBondContact OG-N 2.75Å; S296-Y328 PolarHBondContact OG-O 3.08Å
297	S	97.6	Very high	96.4	Very high	32 Å²	32	51 Å²	51	22%	0.224	28%	0.281	C	S	.	.			trans	-164.3	172	-178.2	68.3	0	0	0	0	110.5	A295 W318 P320 N321 E327	A295-S297 VanDerWaalsContact C-N 3.25Å; A295-S297 WeakPolarHBondContact CB-O 3.49Å; A295-S297 PolarHBondContact O-N 3.19Å; S297-W318 PolarHBondContact O-NE1 2.83Å; S297-P320 VanDerWaalsContact OG-CB 3.29Å; S297-P320 WeakPolarHBondContact OG-CB 3.27Å; S297-N321 PolarHBondContact OG-N 2.86Å; S297-E327 PolarHBondContact OG-OE2 2.87Å
298	T	97.4	Very high	96.6	Very high	50 Å²	50	46 Å²	46	31%	0.307	26%	0.263	S	S	.	.			trans	-139.5	152.6	174.9	-174.3	0	0	0	0	110.1	W304 T319 N321	T298-W304 PolarHBondContact OG1-O 3.46Å; T298-T319 CarbonylContact C-O 3.43Å; T298-T319 WeakPolarHBondContact CA-O 3.33Å; T298-N321 WeakPolarHBondContact O-CA 3.31Å; T298-N321 VanDerWaalsContact O-CB 3.31Å; T298-N321 WeakPolarHBondContact O-CB 3.42Å; T298-N321 PolarHBondContact O-N 2.95Å; T298-N321 PolarHBondContact O-ND2 3.36Å
299	Y	96.2	Very high	96.6	Very high	104 Å²	104	45.8 Å²	45.8	41%	0.408	26%	0.262	S	S	.	.			trans	-60.3	144.2	176.9	-159.5	-115.7	0	0	0	111.5	D301 G302 W304 T319 P320	Y299-D301 VanDerWaalsContact C-N 3.3Å; Y299-D301 HydrophobicContact CD1-CB 4.47Å; Y299-D301 WeakPolarHBondContact CD1-OD1 3.26Å; Y299-D301 PolarHBondContact O-N 3.29Å; Y299-G302 PolarHBondContact O-N 2.95Å; Y299-W304 AromaticContact CD1-CD1 3.79Å; Y299-T319 HydrophobicContact CD2-CG2 4.31Å; Y299-T319 HydrophobicContact CG-CG2 4.42Å; Y299-T319 PolarHBondContact N-O 3.26Å; Y299-P320 PolarHBondContact N-O 2.04Å
300	S	93.8	Very high	96.7	Very high	101 Å²	101	47 Å²	47	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.6	-160.9	50.9	0	0	0	0	115.8
301	D	92.6	Very high	96.8	Very high	85 Å²	85	44 Å²	44	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.8	175.3	65.8	1.8	0	0	0	113.7	Y299 R303	Y299-D301 VanDerWaalsContact C-N 3.3Å; Y299-D301 HydrophobicContact CD1-CB 4.47Å; Y299-D301 WeakPolarHBondContact CD1-OD1 3.26Å; Y299-D301 PolarHBondContact O-N 3.29Å; D301-R303 VanDerWaalsContact C-N 3.28Å; D301-R303 HydrophobicContact CB-CG 4.39Å; D301-R303 PolarHBondContact O-N 2.85Å; D301-R303 WeakPolarHBondContact OD1-CB 3.35Å; D301-R303 PolarHBondContact OD1-N 3.12Å
302	G	93.1	Very high	97.1	Very high	44 Å²	44	45.3 Å²	45.3	45%	0.454	25%	0.253	S	S	.	.	S	Bend	trans	72.1	12.8	-175	0	0	0	0	0	115.1	Y299 T305	Y299-G302 PolarHBondContact O-N 2.95Å; G302-T305 WeakPolarHBondContact O-CG2 3.31Å
303	R	95.3	Very high	97	Very high	82 Å²	82	45.8 Å²	45.8	31%	0.309	26%	0.262	S	S	.	.	S	Bend	trans	-94.1	2.5	179.5	-65.2	-68.8	-59.5	131.9	7.5	114.3	D301 Q308 D315 N316 E351	D301-R303 VanDerWaalsContact C-N 3.28Å; D301-R303 HydrophobicContact CB-CG 4.39Å; D301-R303 PolarHBondContact O-N 2.85Å; D301-R303 WeakPolarHBondContact OD1-CB 3.35Å; D301-R303 PolarHBondContact OD1-N 3.12Å; R303-Q308 PolarHBondContact O-NE2 3.24Å; R303-Q308 PolarHBondContact O-OE1 2.78Å; R303-D315 IonicContact CZ-OD1 3.94Å; R303-D315 IonicContact CZ-OD2 3.52Å; R303-D315 IonicContact NH1-OD1 3.85Å; R303-D315 IonicContact NH1-OD2 3.46Å; R303-D315 PolarHBondContact NH1-OD2 3.23Å; R303-D315 IonicContact NH2-OD1 2.73Å; R303-D315 PolarHBondContact NH2-OD1 3.4Å; R303-D315 IonicContact NH2-OD2 2.64Å; R303-D315 PolarHBondContact NH2-OD2 3.17Å; R303-N316 PolarHBondContact O-ND2 3.43Å; R303-N316 VanDerWaalsContact O-ND2 3.13Å; R303-E351 IonicContact CZ-OE1 3.83Å; R303-E351 VanDerWaalsContact CZ-OE1 3.26Å; R303-E351 IonicContact NE-OE1 2.95Å; R303-E351 PolarHBondContact NE-OE1 2.83Å; R303-E351 IonicContact NH2-OE1 3.78Å; R303-E351 PolarHBondContact NH2-OE1 2.88Å
304	W	97.8	Very high	96.8	Very high	15 Å²	15	51.2 Å²	51.2	6%	0.057	29%	0.291	C	S	.	.	S	Bend	trans	-139.5	43.5	-173.8	-57	81.9	0	0	0	113.1	T298 Y299 N316 G317 W318 T319 A347 Y356 A419	T298-W304 PolarHBondContact OG1-O 3.46Å; Y299-W304 AromaticContact CD1-CD1 3.79Å; W304-N316 HydrophobicContact CD2-CB 3.97Å; W304-N316 HydrophobicContact CE3-CB 3.77Å; W304-N316 HydrophobicContact CH2-CB 3.88Å; W304-N316 HydrophobicContact CZ2-CB 4.05Å; W304-N316 HydrophobicContact CZ3-CB 3.74Å; W304-G317 CarbonylContact C-O 3.6Å; W304-G317 WeakPolarHBondContact CA-O 3.27Å; W304-G317 WeakPolarHBondContact CB-O 3.49Å; W304-W318 WeakPolarHBondContact O-CA 3.47Å; W304-T319 PolarHBondContact O-N 2.81Å; W304-T319 VanDerWaalsContact O-N 3.12Å; W304-A347 HydrophobicContact CZ3-CB 4.02Å; W304-Y356 HydrophobicContact CH2-CD2 4.18Å; W304-Y356 HydrophobicContact CH2-CE2 4.5Å; W304-A419 HydrophobicContact CZ3-CB 4.13Å
305	T	98.3	Very high	96.7	Very high	37 Å²	37	50.7 Å²	50.7	23%	0.227	29%	0.285	C	S	.	.			trans	-67.1	158.9	-173.2	63.7	0	0	0	0	113.2	G302 Q307 Q308	G302-T305 WeakPolarHBondContact O-CG2 3.31Å; T305-Q307 PolarHBondContact O-N 2.04Å; T305-Q308 WeakPolarHBondContact O-CB 3.28Å; T305-Q308 PolarHBondContact O-N 2.98Å; T305-Q308 WeakPolarHBondContact OG1-CG 3.29Å; T305-Q308 PolarHBondContact OG1-OE1 2.88Å
306	P	98.4	Very high	96.6	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.104	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.6	-34.7	173.2	-26	35.7	0	0	0	113	I293 A295 Q308 S309 L329	I293-P306 HydrophobicContact CG2-CB 3.98Å; I293-P306 VanDerWaalsContact CG2-O 3.29Å; I293-P306 WeakPolarHBondContact CG2-O 3.39Å; A295-P306 HydrophobicContact CB-CB 4.36Å; A295-P306 HydrophobicContact CB-CG 3.76Å; P306-Q308 PolarHBondContact O-N 2.83Å; P306-S309 WeakPolarHBondContact O-CB 3.4Å; P306-S309 PolarHBondContact O-N 2.94Å; P306-S309 PolarHBondContact O-OG 3.32Å; P306-L329 HydrophobicContact CB-CD1 4.07Å
307	Q	97.5	Very high	96.6	Very high	65 Å²	65	47.7 Å²	47.7	30%	0.304	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.9	-179.5	-70.3	68.2	27.3	0	0	113.2	N290 I293 T305 S309	N290-Q307 HydrophobicContact CB-CG 3.66Å; N290-Q307 PolarHBondContact O-NE2 3.02Å; I293-Q307 PolarHBondContact O-NE2 3.39Å; T305-Q307 PolarHBondContact O-N 2.04Å; Q307-S309 VanDerWaalsContact C-N 3.26Å; Q307-S309 PolarHBondContact O-N 2.87Å
308	Q	98.1	Very high	96.7	Very high	31 Å²	31	46.2 Å²	46.2	15%	0.145	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-80.3	-3.7	173.7	-67.7	163	-98	0	0	112.9	R303 T305 P306 R310 D315	R303-Q308 PolarHBondContact O-NE2 3.24Å; R303-Q308 PolarHBondContact O-OE1 2.78Å; T305-Q308 WeakPolarHBondContact O-CB 3.28Å; T305-Q308 PolarHBondContact O-N 2.98Å; T305-Q308 WeakPolarHBondContact OG1-CG 3.29Å; T305-Q308 PolarHBondContact OG1-OE1 2.88Å; P306-Q308 PolarHBondContact O-N 2.83Å; Q308-R310 PolarHBondContact O-N 2.8Å; Q308-R310 VanDerWaalsContact O-N 3.11Å; Q308-D315 PolarHBondContact NE2-O 3.42Å
309	S	98.5	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-74.1	10.4	178.1	69	0	0	0	0	115.4	M283 P306 Q307 L329 R421 L422	M283-S309 WeakPolarHBondContact CE-OG 3.38Å; P306-S309 WeakPolarHBondContact O-CB 3.4Å; P306-S309 PolarHBondContact O-N 2.94Å; P306-S309 PolarHBondContact O-OG 3.32Å; Q307-S309 VanDerWaalsContact C-N 3.26Å; Q307-S309 PolarHBondContact O-N 2.87Å; S309-L329 VanDerWaalsContact CB-CD2 3.44Å; S309-L329 WeakPolarHBondContact OG-CD2 3.37Å; S309-R421 CarbonylContact O-C 3.58Å; S309-R421 VanDerWaalsContact O-CA 3.29Å; S309-R421 WeakPolarHBondContact O-CA 3.18Å; S309-L422 PolarHBondContact O-N 2.79Å
310	R	98.6	Very high	96.8	Very high	42 Å²	42	39.7 Å²	39.7	16%	0.158	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-70.9	136	178.3	-60.4	179.7	-179.8	-80.3	-0.6	110.4	M283 I288 N290 Q308 G313 R421	M283-R310 WeakPolarHBondContact O-CB 3.35Å; M283-R310 VanDerWaalsContact O-CD 3.23Å; M283-R310 WeakPolarHBondContact O-CD 3.13Å; M283-R310 WeakPolarHBondContact O-CG 3.31Å; M283-R310 PolarHBondContact O-NH1 2.84Å; I288-R310 VanDerWaalsContact O-CZ 3.27Å; I288-R310 PolarHBondContact O-NH1 2.96Å; I288-R310 PolarHBondContact O-NH2 3.11Å; N290-R310 PolarHBondContact OD1-NH2 2.93Å; Q308-R310 PolarHBondContact O-N 2.8Å; Q308-R310 VanDerWaalsContact O-N 3.11Å; R310-G313 PolarHBondContact O-N 2.85Å; R310-R421 WeakPolarHBondContact O-CB 3.4Å; R310-R421 WeakPolarHBondContact O-CD 3.41Å; R310-R421 WeakPolarHBondContact O-CG 3.3Å
311	L	98.3	Very high	97	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	144.6	173.9	-156.2	75.1	0	0	0	110.3	E284 G313 A343 Q345 V393 L422 E423	E284-L311 HydrophobicContact CB-CB 4.41Å; L311-G313 PolarHBondContact O-N 2.96Å; L311-A343 HydrophobicContact CD1-CB 4.45Å; L311-A343 HydrophobicContact CD2-CB 4.38Å; L311-Q345 HydrophobicContact CD1-CB 4.17Å; L311-Q345 HydrophobicContact CD1-CG 3.88Å; L311-V393 HydrophobicContact CD1-CG1 4.37Å; L311-V393 HydrophobicContact CD2-CG1 4.28Å; L311-L422 PolarHBondContact N-O 3.34Å; L311-E423 HydrophobicContact CB-CB 3.95Å; L311-E423 HydrophobicContact CD2-CB 3.86Å; L311-E423 HydrophobicContact CG-CB 4.38Å
312	H	98	Very high	97.2	Very high	102 Å²	102	40.8 Å²	40.8	47%	0.472	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	2.2	-177.1	-61.8	-73.1	0	0	0	117.2	E284	E284-H312 IonicContact OE1-CD2 2.73Å; E284-H312 PolarHBondContact OE1-CD2 2.77Å; E284-H312 IonicContact OE1-CG 2.89Å; E284-H312 IonicContact OE2-CD2 3.04Å
313	G	95.9	Very high	97.5	Very high	25 Å²	25	41.7 Å²	41.7	26%	0.258	21%	0.214	S	C	.	.			trans	-55.9	142	176.1	0	0	0	0	0	113.8	R310 L311 R421	R310-G313 PolarHBondContact O-N 2.85Å; L311-G313 PolarHBondContact O-N 2.96Å; G313-R421 PolarHBondContact O-NH1 3.05Å
314	D	94.4	Very high	97.6	Very high	117 Å²	117	38.7 Å²	38.7	63%	0.626	21%	0.206	S	C	*	.	S	Bend	trans	-92.6	-20.5	-171.3	77.7	-55.6	0	0	0	114.5	R350	D314-R350 IonicContact OD2-CZ 2.62Å; D314-R350 VanDerWaalsContact OD2-CZ 3.25Å; D314-R350 IonicContact OD2-NH1 2.7Å; D314-R350 PolarHBondContact OD2-NH1 2.86Å; D314-R350 IonicContact OD2-NH2 2.79Å; D314-R350 PolarHBondContact OD2-NH2 3.16Å
315	D	94.7	Very high	97.6	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.219	23%	0.227	C	C	.	.	S	Bend	trans	-99.7	89.9	179.8	-156.7	47	0	0	0	111.8	R303 Q308 G317 R350	R303-D315 IonicContact CZ-OD1 3.94Å; R303-D315 IonicContact CZ-OD2 3.52Å; R303-D315 IonicContact NH1-OD1 3.85Å; R303-D315 IonicContact NH1-OD2 3.46Å; R303-D315 PolarHBondContact NH1-OD2 3.23Å; R303-D315 IonicContact NH2-OD1 2.73Å; R303-D315 PolarHBondContact NH2-OD1 3.4Å; R303-D315 IonicContact NH2-OD2 2.64Å; R303-D315 PolarHBondContact NH2-OD2 3.17Å; Q308-D315 PolarHBondContact NE2-O 3.42Å; D315-G317 PolarHBondContact O-N 2.79Å; D315-R350 WeakPolarHBondContact OD1-CD 3.27Å; D315-R350 IonicContact OD1-CZ 3.3Å; D315-R350 IonicContact OD1-NE 2.85Å; D315-R350 IonicContact OD1-NH1 2.74Å; D315-R350 PolarHBondContact OD1-NH1 2.8Å
316	N	97.3	Very high	97.5	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.247	C	C	.	.			trans	54.7	-121	177.1	-63.2	-14.4	0	0	0	113	R303 W304 A347 I348 S349 R350 E351	R303-N316 PolarHBondContact O-ND2 3.43Å; R303-N316 VanDerWaalsContact O-ND2 3.13Å; W304-N316 HydrophobicContact CD2-CB 3.97Å; W304-N316 HydrophobicContact CE3-CB 3.77Å; W304-N316 HydrophobicContact CH2-CB 3.88Å; W304-N316 HydrophobicContact CZ2-CB 4.05Å; W304-N316 HydrophobicContact CZ3-CB 3.74Å; N316-A347 WeakPolarHBondContact O-CB 3.43Å; N316-I348 PolarHBondContact OD1-O 3.26Å; N316-S349 WeakPolarHBondContact OD1-CA 3.44Å; N316-R350 PolarHBondContact OD1-N 2.96Å; N316-E351 PolarHBondContact ND2-OE1 3.45Å; N316-E351 PolarHBondContact ND2-OE2 3.45Å; N316-E351 VanDerWaalsContact ND2-OE2 3.14Å; N316-E351 PolarHBondContact OD1-OE2 2.94Å
317	G	97.4	Very high	97.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.			trans	178.7	-175.5	-177	0	0	0	0	0	110.2	W304 D315	W304-G317 CarbonylContact C-O 3.6Å; W304-G317 WeakPolarHBondContact CA-O 3.27Å; W304-G317 WeakPolarHBondContact CB-O 3.49Å; D315-G317 PolarHBondContact O-N 2.79Å
318	W	98.6	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-82.1	133.1	169.8	169.7	71.4	0	0	0	111.7	A295 S297 W304 P320 E327 L329 P411 I418 A419 L420	A295-W318 HydrophobicContact CB-CZ2 3.83Å; A295-W318 VanDerWaalsContact CB-NE1 3.31Å; S297-W318 PolarHBondContact O-NE1 2.83Å; W304-W318 WeakPolarHBondContact O-CA 3.47Å; W318-P320 HydrophobicContact CH2-CB 4.19Å; W318-P320 HydrophobicContact CH2-CG 4.22Å; W318-P320 HydrophobicContact CZ2-CB 3.76Å; W318-P320 HydrophobicContact CZ2-CG 4.22Å; W318-E327 HydrophobicContact CH2-CB 4.18Å; W318-L329 HydrophobicContact CB-CD1 4.24Å; W318-L329 HydrophobicContact CD2-CB 4.21Å; W318-L329 HydrophobicContact CD2-CD1 4.04Å; W318-L329 HydrophobicContact CE3-CB 3.86Å; W318-L329 HydrophobicContact CE3-CD1 4.43Å; W318-L329 HydrophobicContact CG-CD1 3.94Å; W318-L329 HydrophobicContact CH2-CB 4.37Å; W318-L329 HydrophobicContact CZ3-CB 3.94Å; W318-P411 HydrophobicContact CZ3-CG 4.35Å; W318-I418 HydrophobicContact CZ3-CG2 3.98Å; W318-A419 CarbonylContact O-C 3.19Å; W318-A419 WeakPolarHBondContact O-CA 3.23Å; W318-L420 HydrophobicContact CE3-CB 4.01Å; W318-L420 PolarHBondContact N-O 2.86Å; W318-L420 PolarHBondContact O-N 2.87Å
319	T	98.7	Very high	97.6	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.098	24%	0.237	C	C	.	.			trans	-134.4	131.4	171.5	-63.3	0	0	0	0	108.7	T298 Y299 W304 I418	T298-T319 CarbonylContact C-O 3.43Å; T298-T319 WeakPolarHBondContact CA-O 3.33Å; Y299-T319 HydrophobicContact CD2-CG2 4.31Å; Y299-T319 HydrophobicContact CG-CG2 4.42Å; Y299-T319 PolarHBondContact N-O 3.26Å; W304-T319 PolarHBondContact O-N 2.81Å; W304-T319 VanDerWaalsContact O-N 3.12Å; T319-I418 WeakPolarHBondContact CB-O 3.25Å; T319-I418 VanDerWaalsContact CG2-O 3.25Å; T319-I418 WeakPolarHBondContact CG2-O 3.37Å; T319-I418 PolarHBondContact OG1-O 3Å
320	P	98.4	Very high	97.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.242	C	C	.	.			trans	-68.1	174.5	176.5	28.4	-34.8	0	0	0	112.8	S297 Y299 W318 L322 E327 I418	S297-P320 VanDerWaalsContact OG-CB 3.29Å; S297-P320 WeakPolarHBondContact OG-CB 3.27Å; Y299-P320 PolarHBondContact N-O 2.04Å; W318-P320 HydrophobicContact CH2-CB 4.19Å; W318-P320 HydrophobicContact CH2-CG 4.22Å; W318-P320 HydrophobicContact CZ2-CB 3.76Å; W318-P320 HydrophobicContact CZ2-CG 4.22Å; P320-L322 VanDerWaalsContact C-N 3.3Å; P320-L322 PolarHBondContact O-N 2.83Å; P320-E327 HydrophobicContact CB-CB 4Å; P320-E327 HydrophobicContact CB-CG 3.61Å; P320-E327 HydrophobicContact CG-CB 4.18Å; P320-E327 HydrophobicContact CG-CG 3.85Å; P320-I418 HydrophobicContact CG-CB 4.03Å; P320-I418 HydrophobicContact CG-CD1 4.02Å; P320-I418 HydrophobicContact CG-CG2 4.06Å
321	N	97.7	Very high	97.6	Very high	91 Å²	91	45.6 Å²	45.6	49%	0.487	24%	0.235	S	C	.	.	S	Bend	trans	-69.2	-29.7	176.1	-159.8	-101.7	0	0	0	112.9	S297 T298	S297-N321 PolarHBondContact OG-N 2.86Å; T298-N321 WeakPolarHBondContact O-CA 3.31Å; T298-N321 VanDerWaalsContact O-CB 3.31Å; T298-N321 WeakPolarHBondContact O-CB 3.42Å; T298-N321 PolarHBondContact O-N 2.95Å; T298-N321 PolarHBondContact O-ND2 3.36Å
322	L	97	Very high	97.6	Very high	118 Å²	118	45.6 Å²	45.6	62%	0.618	24%	0.235	S	C	*	.	S	Bend	trans	-146.7	132.6	178.9	-173	153	0	0	0	109.6	P320 S324 E327	P320-L322 VanDerWaalsContact C-N 3.3Å; P320-L322 PolarHBondContact O-N 2.83Å; L322-S324 PolarHBondContact O-N 2.9Å; L322-E327 WeakPolarHBondContact O-CG 3.3Å
323	D	97.9	Very high	97.6	Very high	64 Å²	64	41.4 Å²	41.4	34%	0.342	22%	0.216	S	C	.	.			trans	-66.6	97.5	-179.7	-77.2	-29.2	0	0	0	112.3	W414 G417 I418	D323-W414 HydrophobicContact CB-CZ2 3.77Å; D323-G417 WeakPolarHBondContact OD2-CA 3.08Å; D323-I418 HydrophobicContact CB-CD1 4.4Å; D323-I418 HydrophobicContact CB-CG1 4.4Å; D323-I418 VanDerWaalsContact OD1-CB 3.27Å; D323-I418 WeakPolarHBondContact OD1-CB 3.35Å; D323-I418 WeakPolarHBondContact OD1-CG1 3.37Å; D323-I418 PolarHBondContact OD1-N 3.48Å
324	S	98.1	Very high	97.7	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	21%	0.209	C	C	.	.			trans	-138.9	146	-174.3	118.6	0	0	0	0	111.9	L322 K326 E327	L322-S324 PolarHBondContact O-N 2.9Å; S324-K326 PolarHBondContact O-N 2.81Å; S324-K326 WeakPolarHBondContact OG-CB 3.42Å; S324-K326 PolarHBondContact OG-N 2.86Å; S324-E327 WeakPolarHBondContact O-CG 3.47Å; S324-E327 PolarHBondContact O-N 2.98Å; S324-E327 PolarHBondContact OG-N 3.42Å; S324-E327 PolarHBondContact OG-OE1 2.86Å
325	N	97.7	Very high	97.8	Very high	92 Å²	92	37.2 Å²	37.2	49%	0.492	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	5.1	174.3	73.8	-7.1	0	0	0	113.7	P411 Q412	N325-P411 WeakPolarHBondContact CA-O 3.36Å; N325-Q412 PolarHBondContact O-NE2 3.47Å
326	K	97.2	Very high	97.9	Very high	152 Å²	152	36.1 Å²	36.1	66%	0.661	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-16.3	170.5	-53.8	177	-178	175.1	0	111.8	S324 R410	S324-K326 PolarHBondContact O-N 2.81Å; S324-K326 WeakPolarHBondContact OG-CB 3.42Å; S324-K326 PolarHBondContact OG-N 2.86Å; K326-R410 PolarHBondContact O-NH2 3.09Å
327	E	98.3	Very high	97.9	Very high	29 Å²	29	36.7 Å²	36.7	14%	0.136	18%	0.182	C	C	.	.			trans	-66	160.1	179.1	-54.6	-45.1	113.4	0	0	111.8	S296 S297 W318 P320 L322 S324	S296-E327 WeakPolarHBondContact CB-OE2 3.31Å; S296-E327 VanDerWaalsContact OG-CA 3.26Å; S296-E327 WeakPolarHBondContact OG-CA 3.29Å; S296-E327 WeakPolarHBondContact OG-CB 3.29Å; S296-E327 PolarHBondContact OG-OE2 3.22Å; S297-E327 PolarHBondContact OG-OE2 2.87Å; W318-E327 HydrophobicContact CH2-CB 4.18Å; P320-E327 HydrophobicContact CB-CB 4Å; P320-E327 HydrophobicContact CB-CG 3.61Å; P320-E327 HydrophobicContact CG-CB 4.18Å; P320-E327 HydrophobicContact CG-CG 3.85Å; L322-E327 WeakPolarHBondContact O-CG 3.3Å; S324-E327 WeakPolarHBondContact O-CG 3.47Å; S324-E327 PolarHBondContact O-N 2.98Å; S324-E327 PolarHBondContact OG-N 3.42Å; S324-E327 PolarHBondContact OG-OE1 2.86Å
328	Y	98.6	Very high	98	Very high	52 Å²	52	37.4 Å²	37.4	20%	0.204	19%	0.186	C	C	.	.			trans	-151.5	144.8	173.3	61.7	-98.5	0	0	0	111.8	A295 S296 Q330 R408 I409	A295-Y328 CarbonylContact C-O 3.48Å; A295-Y328 VanDerWaalsContact CA-O 3.23Å; A295-Y328 WeakPolarHBondContact CA-O 3.31Å; A295-Y328 WeakPolarHBondContact CB-O 3.41Å; S296-Y328 PolarHBondContact N-O 3.29Å; S296-Y328 PolarHBondContact OG-N 2.75Å; S296-Y328 PolarHBondContact OG-O 3.08Å; Y328-Q330 HydrophobicContact CD2-CB 3.92Å; Y328-Q330 HydrophobicContact CE2-CB 4.01Å; Y328-R408 HydrophobicContact CD2-CG 3.83Å; Y328-R408 HydrophobicContact CE2-CG 4.47Å; Y328-R408 VanDerWaalsContact CE2-NE 3.32Å; Y328-R408 HydrophobicContact CG-CG 4.15Å; Y328-R408 PolarHBondContact OH-NH2 3.16Å; Y328-I409 VanDerWaalsContact CA-O 3.31Å; Y328-I409 WeakPolarHBondContact CA-O 3.42Å
329	L	98.8	Very high	98	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.9	155.7	-178.6	72.5	0	0	0	107.7	I293 A295 P306 S309 W318 R408 I409 L420 L422	I293-L329 HydrophobicContact CG2-CD1 4.05Å; A295-L329 HydrophobicContact CB-CD1 4.45Å; P306-L329 HydrophobicContact CB-CD1 4.07Å; S309-L329 VanDerWaalsContact CB-CD2 3.44Å; S309-L329 WeakPolarHBondContact OG-CD2 3.37Å; W318-L329 HydrophobicContact CB-CD1 4.24Å; W318-L329 HydrophobicContact CD2-CB 4.21Å; W318-L329 HydrophobicContact CD2-CD1 4.04Å; W318-L329 HydrophobicContact CE3-CB 3.86Å; W318-L329 HydrophobicContact CE3-CD1 4.43Å; W318-L329 HydrophobicContact CG-CD1 3.94Å; W318-L329 HydrophobicContact CH2-CB 4.37Å; W318-L329 HydrophobicContact CZ3-CB 3.94Å; L329-R408 CarbonylContact O-C 3.57Å; L329-R408 VanDerWaalsContact O-CA 3.29Å; L329-R408 WeakPolarHBondContact O-CA 3.21Å; L329-I409 PolarHBondContact N-O 3.41Å; L329-I409 VanDerWaalsContact N-O 3.09Å; L329-I409 PolarHBondContact O-N 3.25Å; L329-L420 HydrophobicContact CB-CD2 4.45Å; L329-L420 HydrophobicContact CD2-CD2 3.63Å; L329-L422 HydrophobicContact CD2-CB 4.34Å; L329-L422 HydrophobicContact CD2-CD2 3.76Å
330	Q	98.8	Very high	97.9	Very high	23 Å²	23	37.8 Å²	37.8	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	-177.8	177.8	174.7	-51.3	0	0	111.2	I293 S294 Y328 W372 V407 R408	I293-Q330 WeakPolarHBondContact CA-O 3.11Å; S294-Q330 PolarHBondContact N-O 3.39Å; S294-Q330 PolarHBondContact O-N 3.27Å; S294-Q330 VanDerWaalsContact O-O 3.08Å; Y328-Q330 HydrophobicContact CD2-CB 3.92Å; Y328-Q330 HydrophobicContact CE2-CB 4.01Å; Q330-W372 HydrophobicContact CG-CH2 4.45Å; Q330-V407 CarbonylContact C-O 3.58Å; Q330-V407 VanDerWaalsContact CA-O 3.31Å; Q330-V407 WeakPolarHBondContact CA-O 3.01Å; Q330-R408 HydrophobicContact CB-CG 3.95Å; Q330-R408 HydrophobicContact CG-CG 4.13Å; Q330-R408 VanDerWaalsContact OE1-CZ 3.25Å
331	V	98.8	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128	170.9	-177.6	0	0	0	0	109.2	M283 I288 Q292 L333 F406 V407 L422 L424	M283-V331 HydrophobicContact CE-CG2 4.26Å; M283-V331 HydrophobicContact SD-CG1 4.34Å; M283-V331 HydrophobicContact SD-CG2 3.81Å; I288-V331 HydrophobicContact CD1-CG1 4.13Å; I288-V331 HydrophobicContact CG2-CG1 3.79Å; Q292-V331 CarbonylContact O-C 3.56Å; Q292-V331 WeakPolarHBondContact O-CA 3.4Å; V331-L333 HydrophobicContact CG1-CD2 3.95Å; V331-F406 WeakPolarHBondContact O-CA 3.48Å; V331-V407 PolarHBondContact N-O 3Å; V331-V407 PolarHBondContact O-N 2.87Å; V331-L422 HydrophobicContact CG2-CD2 4.2Å; V331-L424 HydrophobicContact CB-CD1 4.08Å; V331-L424 HydrophobicContact CG1-CD1 4.14Å; V331-L424 HydrophobicContact CG2-CD1 4.21Å
332	D	98.4	Very high	98	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.8	168.2	179.4	9.2	0	0	0	109.9	Q292 R334 R405 F406	Q292-D332 WeakPolarHBondContact CB-O 3.18Å; Q292-D332 VanDerWaalsContact CG-O 3.29Å; Q292-D332 WeakPolarHBondContact CG-O 3.23Å; Q292-D332 PolarHBondContact NE2-O 2.93Å; Q292-D332 PolarHBondContact O-N 3.44Å; D332-R334 PolarHBondContact O-N 3.19Å; D332-R334 WeakPolarHBondContact OD1-CA 3.34Å; D332-R334 PolarHBondContact OD1-N 2.81Å; D332-R334 WeakPolarHBondContact OD2-CD 3.37Å; D332-R334 IonicContact OD2-CZ 2.68Å; D332-R334 IonicContact OD2-NE 3.02Å; D332-R334 IonicContact OD2-NH1 3.56Å; D332-R334 PolarHBondContact OD2-NH1 3.31Å; D332-R405 VanDerWaalsContact OD1-CG 3.3Å; D332-R405 WeakPolarHBondContact OD1-CG 3.35Å; D332-R405 IonicContact OD1-CZ 2.84Å; D332-R405 IonicContact OD1-NE 3.04Å; D332-R405 PolarHBondContact OD1-NE 2.85Å; D332-R405 IonicContact OD1-NH2 3.85Å; D332-R405 PolarHBondContact OD1-NH2 3.27Å; D332-R405 IonicContact OD2-CZ 3.44Å; D332-R405 IonicContact OD2-NE 3.84Å; D332-R405 IonicContact OD2-NH2 2.72Å; D332-R405 PolarHBondContact OD2-NH2 3.35Å; D332-F406 HydrophobicContact CB-CD1 3.7Å; D332-F406 HydrophobicContact CB-CE1 3.55Å; D332-F406 HydrophobicContact CB-CZ 4.43Å
333	L	98.1	Very high	98	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.079	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-0.4	178.7	-57.4	172.9	0	0	0	113.1	L281 I288 V331 F335 T337 R405 V407 L424	L281-L333 HydrophobicContact CB-CD2 4.5Å; L281-L333 HydrophobicContact CD1-CD1 3.99Å; L281-L333 HydrophobicContact CD1-CD2 4.11Å; I288-L333 HydrophobicContact CD1-CD2 3.85Å; V331-L333 HydrophobicContact CG1-CD2 3.95Å; L333-F335 PolarHBondContact O-N 3.24Å; L333-T337 HydrophobicContact CD1-CG2 4.05Å; L333-R405 VanDerWaalsContact CB-O 3.26Å; L333-R405 WeakPolarHBondContact CB-O 3.32Å; L333-R405 WeakPolarHBondContact CG-O 3.41Å; L333-R405 PolarHBondContact N-O 3.06Å; L333-V407 HydrophobicContact CD1-CG2 4.2Å; L333-L424 HydrophobicContact CD2-CD1 4.29Å
334	R	96.2	Very high	98.1	Very high	27 Å²	27	25 Å²	25	10%	0.102	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.4	-44.1	-174.3	-57	-55.2	-167.7	-148.9	-3.4	114.8	I226 L238 E291 Q292 D332 R405	I226-R334 HydrophobicContact CG2-CB 4Å; I226-R334 HydrophobicContact CG2-CG 4.17Å; L238-R334 HydrophobicContact CD2-CB 4.46Å; L238-R334 HydrophobicContact CD2-CG 4.03Å; E291-R334 VanDerWaalsContact C-NH2 3.35Å; E291-R334 PolarHBondContact O-NH2 3.33Å; Q292-R334 HydrophobicContact CG-CG 4.19Å; D332-R334 PolarHBondContact O-N 3.19Å; D332-R334 WeakPolarHBondContact OD1-CA 3.34Å; D332-R334 PolarHBondContact OD1-N 2.81Å; D332-R334 WeakPolarHBondContact OD2-CD 3.37Å; D332-R334 IonicContact OD2-CZ 2.68Å; D332-R334 IonicContact OD2-NE 3.02Å; D332-R334 IonicContact OD2-NH1 3.56Å; D332-R334 PolarHBondContact OD2-NH1 3.31Å; R334-R405 VanDerWaalsContact O-CD 3.26Å; R334-R405 WeakPolarHBondContact O-CD 3.25Å; R334-R405 PolarHBondContact O-NE 3.44Å
335	F	96.9	Very high	98.1	Very high	27 Å²	27	24.5 Å²	24.5	12%	0.118	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	158.3	-177.4	-56.9	-82.1	0	0	0	111.7	D217 I226 L238 R239 L333 T337	D217-F335 HydrophobicContact CB-CD1 4.34Å; D217-F335 HydrophobicContact CB-CE1 4.22Å; D217-F335 WeakPolarHBondContact OD1-CD1 3.49Å; D217-F335 WeakPolarHBondContact OD1-CE1 3.31Å; I226-F335 HydrophobicContact CD1-CE1 3.57Å; I226-F335 HydrophobicContact CD1-CZ 3.63Å; I226-F335 HydrophobicContact CG1-CE1 4.49Å; L238-F335 HydrophobicContact CD2-CE2 4.45Å; R239-F335 WeakPolarHBondContact O-CD2 3.47Å; R239-F335 WeakPolarHBondContact O-CE2 3.23Å; L333-F335 PolarHBondContact O-N 3.24Å; F335-T337 PolarHBondContact O-N 3.45Å; F335-T337 VanDerWaalsContact O-N 3.12Å; F335-T337 PolarHBondContact O-OG1 3.34Å
336	L	97.3	Very high	98.1	Very high	17 Å²	17	20.1 Å²	20.1	9%	0.089	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	105.5	-178.3	-165.2	70.3	0	0	0	110.8	T367 L403 L441 L467 V468 P558	L336-T367 HydrophobicContact CD1-CG2 4.03Å; L336-L403 HydrophobicContact CD1-CG 4.25Å; L336-L403 HydrophobicContact CD2-CD1 4.15Å; L336-L403 HydrophobicContact CD2-CD2 3.93Å; L336-L403 HydrophobicContact CD2-CG 3.9Å; L336-L403 HydrophobicContact CG-CD1 3.72Å; L336-L403 HydrophobicContact CG-CD2 4.36Å; L336-L403 HydrophobicContact CG-CG 3.78Å; L336-L441 HydrophobicContact CD2-CD1 4.32Å; L336-L467 HydrophobicContact CD2-CD2 3.96Å; L336-V468 HydrophobicContact CD1-CG2 4.18Å; L336-V468 HydrophobicContact CD2-CG2 4.14Å; L336-P558 HydrophobicContact CD1-CG 4.44Å; L336-P558 HydrophobicContact CD2-CG 4.47Å
337	T	98	Very high	98.1	Very high	15 Å²	15	12.9 Å²	12.9	9%	0.092	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.3	-164.9	-56.9	0	0	0	0	111.3	L281 L333 F335 T404	L281-T337 HydrophobicContact CD1-CG2 3.85Å; L281-T337 HydrophobicContact CD2-CG2 3.84Å; L333-T337 HydrophobicContact CD1-CG2 4.05Å; F335-T337 PolarHBondContact O-N 3.45Å; F335-T337 VanDerWaalsContact O-N 3.12Å; F335-T337 PolarHBondContact O-OG1 3.34Å; T337-T404 PolarHBondContact N-O 2.65Å; T337-T404 PolarHBondContact O-N 3.1Å; T337-T404 VanDerWaalsContact O-O 3.06Å
338	M	97.8	Very high	98.1	Very high	16 Å²	16	14.8 Å²	14.8	8%	0.079	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.2	174.8	-170.7	65.3	63.8	0	0	110	T340 P401 L402 L403 G426 C427 I560	M338-T340 HydrophobicContact CG-CG2 4.2Å; M338-P401 HydrophobicContact CG-CB 4.17Å; M338-P401 HydrophobicContact SD-CB 3.58Å; M338-P401 VanDerWaalsContact SD-CB 3.58Å; M338-L402 CarbonylContact C-O 3.59Å; M338-L402 WeakPolarHBondContact CA-O 3.35Å; M338-L403 HydrophobicContact CE-CB 4.05Å; M338-L403 HydrophobicContact CE-CD1 4.22Å; M338-L403 HydrophobicContact SD-CB 4.42Å; M338-G426 CarbonylContact O-C 3.57Å; M338-G426 WeakPolarHBondContact O-CA 3.3Å; M338-C427 WeakPolarHBondContact CB-O 3.36Å; M338-C427 PolarHBondContact N-O 2.97Å; M338-C427 PolarHBondContact O-N 2.88Å; M338-I560 HydrophobicContact CE-CG2 3.86Å
339	L	98.5	Very high	98.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.3	173.7	-176.6	72	0	0	0	110	L281 I342 L363 L398 P401 L402 T404 V407 L424	L281-L339 HydrophobicContact CD1-CD1 4.42Å; L339-I342 HydrophobicContact CD1-CG1 4.49Å; L339-I342 HydrophobicContact CD2-CD1 4.39Å; L339-I342 HydrophobicContact CD2-CG1 4.47Å; L339-L363 HydrophobicContact CD2-CD1 4.43Å; L339-L363 HydrophobicContact CD2-CD2 4.24Å; L339-L398 HydrophobicContact CB-CD1 4.48Å; L339-L398 HydrophobicContact CD2-CD1 4.05Å; L339-L398 HydrophobicContact CG-CD1 3.97Å; L339-P401 WeakPolarHBondContact O-CA 3.38Å; L339-L402 HydrophobicContact CB-CB 4.49Å; L339-L402 PolarHBondContact N-O 2.8Å; L339-L402 PolarHBondContact O-N 2.85Å; L339-T404 HydrophobicContact CB-CG2 4.36Å; L339-V407 HydrophobicContact CD2-CG1 4.45Å; L339-V407 HydrophobicContact CD2-CG2 4.1Å; L339-L424 HydrophobicContact CD1-CB 3.93Å; L339-L424 HydrophobicContact CD1-CD2 4.16Å
340	T	98	Very high	98	Very high	23 Å²	23	18.2 Å²	18.2	14%	0.141	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-27	-176.7	61	0	0	0	0	114.3	C277 M338 L398 P401 F425	C277-T340 HydrophobicContact CB-CG2 4.19Å; C277-T340 WeakPolarHBondContact O-CB 3.42Å; C277-T340 WeakPolarHBondContact O-CG2 3.42Å; C277-T340 PolarHBondContact O-OG1 2.87Å; C277-T340 VanDerWaalsContact SG-CG2 3.6Å; M338-T340 HydrophobicContact CG-CG2 4.2Å; T340-L398 WeakPolarHBondContact O-CB 3.29Å; T340-L398 PolarHBondContact O-N 3.21Å; T340-P401 HydrophobicContact CG2-CB 4.09Å; T340-P401 HydrophobicContact CG2-CG 4.19Å; T340-F425 PolarHBondContact N-O 3.4Å; T340-F425 PolarHBondContact OG1-O 2.82Å
341	A	98.1	Very high	97.8	Very high	6 Å²	6	21.5 Å²	21.5	5%	0.05	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.4	171.5	0	0	0	0	0	112.6	L395 N396 K397 F425	A341-L395 HydrophobicContact CB-CD1 3.85Å; A341-L395 HydrophobicContact CB-CG 4.5Å; A341-N396 VanDerWaalsContact CA-O 3.3Å; A341-N396 WeakPolarHBondContact CA-O 3.34Å; A341-N396 WeakPolarHBondContact CB-O 3.24Å; A341-K397 HydrophobicContact CB-CB 4.45Å; A341-K397 HydrophobicContact CB-CG 4.05Å; A341-F425 HydrophobicContact CB-CB 4.04Å; A341-F425 HydrophobicContact CB-CD2 4.42Å; A341-F425 PolarHBondContact N-O 3.18Å; A341-F425 PolarHBondContact O-N 3.19Å
342	I	98.8	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.1	179.3	-60.4	168.8	0	0	0	107.5	L339 T344 Y361 L363 N396 I409 L422 L424	L339-I342 HydrophobicContact CD1-CG1 4.49Å; L339-I342 HydrophobicContact CD2-CD1 4.39Å; L339-I342 HydrophobicContact CD2-CG1 4.47Å; I342-T344 HydrophobicContact CG2-CG2 4.23Å; I342-Y361 HydrophobicContact CD1-CE2 4.36Å; I342-Y361 HydrophobicContact CG2-CE2 4.47Å; I342-Y361 WeakPolarHBondContact CG2-OH 3.28Å; I342-L363 HydrophobicContact CD1-CD1 3.86Å; I342-L363 HydrophobicContact CD1-CD2 3.91Å; I342-L363 HydrophobicContact CD1-CG 4.34Å; I342-N396 PolarHBondContact N-O 2.86Å; I342-N396 PolarHBondContact O-N 2.74Å; I342-I409 HydrophobicContact CD1-CD1 3.98Å; I342-I409 HydrophobicContact CG2-CD1 4.04Å; I342-L422 HydrophobicContact CG2-CD1 3.61Å; I342-L424 HydrophobicContact CG1-CD2 4.01Å; I342-L424 HydrophobicContact CG2-CD2 4.27Å
343	A	98.7	Very high	97.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.7	170.2	0	0	0	0	0	110.5	L311 V393 V394 L395 L422 E423 F425	L311-A343 HydrophobicContact CD1-CB 4.45Å; L311-A343 HydrophobicContact CD2-CB 4.38Å; A343-V393 HydrophobicContact CB-CG1 3.75Å; A343-V394 WeakPolarHBondContact CA-O 3.49Å; A343-L395 HydrophobicContact CB-CD1 3.98Å; A343-L422 WeakPolarHBondContact O-CA 3.33Å; A343-E423 PolarHBondContact N-O 2.94Å; A343-E423 PolarHBondContact O-N 2.93Å; A343-F425 HydrophobicContact CB-CE2 3.66Å; A343-F425 HydrophobicContact CB-CZ 4.42Å
344	T	98.8	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.3	174.3	62.6	0	0	0	0	112.4	I342 Y361 N387 V394 L420 R421 L422	I342-T344 HydrophobicContact CG2-CG2 4.23Å; T344-Y361 HydrophobicContact CG2-CD1 4.28Å; T344-Y361 HydrophobicContact CG2-CE1 3.66Å; T344-N387 WeakPolarHBondContact CB-OD1 3.48Å; T344-N387 PolarHBondContact O-ND2 2.83Å; T344-N387 PolarHBondContact O-OD1 3.01Å; T344-N387 PolarHBondContact OG1-OD1 3.08Å; T344-V394 PolarHBondContact N-O 2.88Å; T344-V394 PolarHBondContact O-N 2.83Å; T344-L420 HydrophobicContact CG2-CD1 4.24Å; T344-R421 CarbonylContact C-O 3.57Å; T344-R421 WeakPolarHBondContact CA-O 3.36Å; T344-L422 HydrophobicContact CG2-CD1 4.3Å
345	Q	98.3	Very high	97.6	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.033	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153	169.8	-88.7	177.9	-42.3	0	0	109.2	L311 N387 T391 V393 R421	L311-Q345 HydrophobicContact CD1-CB 4.17Å; L311-Q345 HydrophobicContact CD1-CG 3.88Å; Q345-N387 WeakPolarHBondContact CA-ND2 3.49Å; Q345-T391 PolarHBondContact NE2-O 3.12Å; Q345-V393 HydrophobicContact CG-CB 4.35Å; Q345-V393 HydrophobicContact CG-CG2 3.78Å; Q345-R421 HydrophobicContact CB-CB 3.89Å; Q345-R421 PolarHBondContact N-O 3.17Å; Q345-R421 PolarHBondContact O-N 2.92Å
346	G	98	Very high	97.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.			trans	-78.1	-162.7	160.1	0	0	0	0	0	112.3	Y356 A390 R421	G346-Y356 CarbonylContact C-O 3.52Å; G346-Y356 VanDerWaalsContact CA-O 3.32Å; G346-Y356 WeakPolarHBondContact CA-O 3.18Å; G346-A390 CarbonylContact C-O 3.59Å; G346-R421 VanDerWaalsContact O-CZ 3.28Å; G346-R421 PolarHBondContact O-NE 3.37Å; G346-R421 PolarHBondContact O-NH2 2.84Å
347	A	98.3	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.5	172.9	0	0	0	0	0	112	W304 N316 Y356 A390 A419	W304-A347 HydrophobicContact CZ3-CB 4.02Å; N316-A347 WeakPolarHBondContact O-CB 3.43Å; A347-Y356 PolarHBondContact N-O 2.96Å; A347-Y356 PolarHBondContact O-N 2.85Å; A347-Y356 VanDerWaalsContact O-O 3.1Å; A347-A390 PolarHBondContact N-O 2.82Å; A347-A419 HydrophobicContact CB-CB 4.02Å
348	I	98.3	Very high	97.8	Very high	70 Å²	70	35.3 Å²	35.3	36%	0.359	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.2	169.9	-60	177	0	0	0	107.4	N316 R350 N354 A390 T391	N316-I348 PolarHBondContact OD1-O 3.26Å; I348-R350 PolarHBondContact O-N 2.89Å; I348-N354 WeakPolarHBondContact CA-O 3.16Å; I348-A390 HydrophobicContact CD1-CB 4.44Å; I348-A390 HydrophobicContact CG1-CB 3.63Å; I348-T391 HydrophobicContact CD1-CG2 3.84Å; I348-T391 HydrophobicContact CG1-CG2 4.46Å
349	S	97.9	Very high	97.8	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.035	19%	0.189	C	C	.	.			trans	-64.4	122.1	173.3	166.3	0	0	0	0	110	N316 E351 T352 Q353 N354	N316-S349 WeakPolarHBondContact OD1-CA 3.44Å; S349-E351 PolarHBondContact O-N 2.86Å; S349-E351 PolarHBondContact OG-N 2.98Å; S349-E351 PolarHBondContact OG-OE2 3.04Å; S349-T352 WeakPolarHBondContact CB-OG1 3.39Å; S349-T352 PolarHBondContact O-N 3.25Å; S349-T352 PolarHBondContact OG-N 2.84Å; S349-T352 VanDerWaalsContact OG-N 3.07Å; S349-T352 PolarHBondContact OG-OG1 2.9Å; S349-Q353 WeakPolarHBondContact O-CA 3.11Å; S349-Q353 PolarHBondContact O-N 2.8Å; S349-N354 PolarHBondContact N-O 2.7Å
350	R	95.8	Very high	97.8	Very high	120 Å²	120	38.7 Å²	38.7	45%	0.453	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.4	172.9	-69	178.9	117.3	150	13.9	111.9	D314 D315 N316 I348 Q353	D314-R350 IonicContact OD2-CZ 2.62Å; D314-R350 VanDerWaalsContact OD2-CZ 3.25Å; D314-R350 IonicContact OD2-NH1 2.7Å; D314-R350 PolarHBondContact OD2-NH1 2.86Å; D314-R350 IonicContact OD2-NH2 2.79Å; D314-R350 PolarHBondContact OD2-NH2 3.16Å; D315-R350 WeakPolarHBondContact OD1-CD 3.27Å; D315-R350 IonicContact OD1-CZ 3.3Å; D315-R350 IonicContact OD1-NE 2.85Å; D315-R350 IonicContact OD1-NH1 2.74Å; D315-R350 PolarHBondContact OD1-NH1 2.8Å; N316-R350 PolarHBondContact OD1-N 2.96Å; I348-R350 PolarHBondContact O-N 2.89Å; R350-Q353 PolarHBondContact O-NE2 3.12Å
351	E	96.1	Very high	97.9	Very high	92 Å²	92	37.6 Å²	37.6	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-33.2	-175.3	-53.4	76.5	-166.8	0	0	112.7	R303 N316 S349	R303-E351 IonicContact CZ-OE1 3.83Å; R303-E351 VanDerWaalsContact CZ-OE1 3.26Å; R303-E351 IonicContact NE-OE1 2.95Å; R303-E351 PolarHBondContact NE-OE1 2.83Å; R303-E351 IonicContact NH2-OE1 3.78Å; R303-E351 PolarHBondContact NH2-OE1 2.88Å; N316-E351 PolarHBondContact ND2-OE1 3.45Å; N316-E351 PolarHBondContact ND2-OE2 3.45Å; N316-E351 VanDerWaalsContact ND2-OE2 3.14Å; N316-E351 PolarHBondContact OD1-OE2 2.94Å; S349-E351 PolarHBondContact O-N 2.86Å; S349-E351 PolarHBondContact OG-N 2.98Å; S349-E351 PolarHBondContact OG-OE2 3.04Å
352	T	96	Very high	97.9	Very high	73 Å²	73	39.6 Å²	39.6	45%	0.448	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-9.5	-171.4	65.7	0	0	0	0	115.2	S349 N354	S349-T352 WeakPolarHBondContact CB-OG1 3.39Å; S349-T352 PolarHBondContact O-N 3.25Å; S349-T352 PolarHBondContact OG-N 2.84Å; S349-T352 VanDerWaalsContact OG-N 3.07Å; S349-T352 PolarHBondContact OG-OG1 2.9Å; T352-N354 WeakPolarHBondContact CB-ND2 3.44Å; T352-N354 PolarHBondContact O-N 2.88Å; T352-N354 VanDerWaalsContact O-N 3.11Å; T352-N354 PolarHBondContact OG1-ND2 2.92Å; T352-N354 VanDerWaalsContact OG1-ND2 3.07Å
353	Q	96.3	Very high	97.9	Very high	140 Å²	140	39.6 Å²	39.6	65%	0.654	19%	0.193	S	C	*	.			trans	58.9	12.3	-174.1	-54.5	-62.9	-56.9	0	0	114.8	S349 R350	S349-Q353 WeakPolarHBondContact O-CA 3.11Å; S349-Q353 PolarHBondContact O-N 2.8Å; R350-Q353 PolarHBondContact O-NE2 3.12Å
354	N	97.2	Very high	97.9	Very high	80 Å²	80	40.5 Å²	40.5	43%	0.428	20%	0.197	S	C	.	.			trans	-75.8	137.3	173.8	-70.1	-50.7	0	0	0	111.1	I348 S349 T352 Y356	I348-N354 WeakPolarHBondContact CA-O 3.16Å; S349-N354 PolarHBondContact N-O 2.7Å; T352-N354 WeakPolarHBondContact CB-ND2 3.44Å; T352-N354 PolarHBondContact O-N 2.88Å; T352-N354 VanDerWaalsContact O-N 3.11Å; T352-N354 PolarHBondContact OG1-ND2 2.92Å; T352-N354 VanDerWaalsContact OG1-ND2 3.07Å; N354-Y356 HydrophobicContact CB-CD2 4.34Å; N354-Y356 HydrophobicContact CB-CE2 3.46Å; N354-Y356 VanDerWaalsContact CB-CE2 3.46Å; N354-Y356 WeakPolarHBondContact O-CD2 3.49Å; N354-Y356 WeakPolarHBondContact O-CE2 3.35Å
355	G	97.5	Very high	97.9	Very high	25 Å²	25	40.5 Å²	40.5	26%	0.258	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.2	173.5	0	0	0	0	0	112.7	S416	G355-S416 WeakPolarHBondContact O-CB 3.02Å; G355-S416 PolarHBondContact O-OG 3.44Å
356	Y	98.6	Very high	97.9	Very high	60 Å²	60	40.2 Å²	40.2	24%	0.235	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.7	178.6	-59	-92.6	0	0	0	109	W304 G346 A347 N354	W304-Y356 HydrophobicContact CH2-CD2 4.18Å; W304-Y356 HydrophobicContact CH2-CE2 4.5Å; G346-Y356 CarbonylContact C-O 3.52Å; G346-Y356 VanDerWaalsContact CA-O 3.32Å; G346-Y356 WeakPolarHBondContact CA-O 3.18Å; A347-Y356 PolarHBondContact N-O 2.96Å; A347-Y356 PolarHBondContact O-N 2.85Å; A347-Y356 VanDerWaalsContact O-O 3.1Å; N354-Y356 HydrophobicContact CB-CD2 4.34Å; N354-Y356 HydrophobicContact CB-CE2 3.46Å; N354-Y356 VanDerWaalsContact CB-CE2 3.46Å; N354-Y356 WeakPolarHBondContact O-CD2 3.49Å; N354-Y356 WeakPolarHBondContact O-CE2 3.35Å
357	Y	98.6	Very high	97.8	Very high	23 Å²	23	40.3 Å²	40.3	9%	0.09	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	144.7	-180	60	-91.5	0	0	0	113.5	K359 N387 N388 D389 W414 H415	Y357-K359 HydrophobicContact CD2-CG 3.85Å; Y357-K359 HydrophobicContact CE2-CD 3.93Å; Y357-K359 HydrophobicContact CE2-CG 3.58Å; Y357-N387 HydrophobicContact CD2-CB 4.11Å; Y357-N387 WeakPolarHBondContact CD2-O 3.48Å; Y357-N387 VanDerWaalsContact CE2-O 3.25Å; Y357-N387 WeakPolarHBondContact CE2-O 3.25Å; Y357-N387 HydrophobicContact CG-CB 4.44Å; Y357-N388 PolarHBondContact OH-O 2.84Å; Y357-D389 VanDerWaalsContact CB-O 3.24Å; Y357-D389 WeakPolarHBondContact CB-O 3.43Å; Y357-D389 VanDerWaalsContact CG-O 3.27Å; Y357-W414 CarbonylContact O-C 3.58Å; Y357-W414 VanDerWaalsContact O-CA 3.23Å; Y357-W414 WeakPolarHBondContact O-CA 3.47Å; Y357-W414 WeakPolarHBondContact O-CB 3.46Å; Y357-H415 HydrophobicContact CD1-CB 3.85Å; Y357-H415 HydrophobicContact CD2-CB 3.96Å; Y357-H415 HydrophobicContact CE1-CB 3.42Å; Y357-H415 VanDerWaalsContact CE1-CB 3.42Å; Y357-H415 AromaticContact CE1-CG 3.37Å; Y357-H415 AromaticContact CE1-ND1 3.52Å; Y357-H415 HydrophobicContact CE2-CB 3.53Å; Y357-H415 HydrophobicContact CG-CB 4.1Å; Y357-H415 AromaticContact CZ-CD2 3.79Å; Y357-H415 AromaticContact CZ-CG 3.4Å; Y357-H415 VanDerWaalsContact CZ-CG 3.4Å; Y357-H415 PolarHBondContact N-O 3Å; Y357-H415 PolarHBondContact O-N 2.98Å; Y357-H415 PolarHBondContact OH-CD2 2.94Å
358	V	98.8	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.3	170.4	176.2	0	0	0	0	109.6	S360 A386 N387 P411 I418 L420	V358-S360 VanDerWaalsContact CG1-O 3.28Å; V358-S360 WeakPolarHBondContact CG1-O 3.34Å; V358-A386 VanDerWaalsContact O-CB 3.25Å; V358-A386 WeakPolarHBondContact O-CB 3.26Å; V358-N387 PolarHBondContact O-N 3.2Å; V358-P411 HydrophobicContact CG1-CB 4.04Å; V358-P411 HydrophobicContact CG2-CB 3.95Å; V358-P411 HydrophobicContact CG2-CG 3.96Å; V358-I418 HydrophobicContact CG2-CG2 3.95Å; V358-L420 HydrophobicContact CB-CD1 3.95Å; V358-L420 HydrophobicContact CG1-CD1 4.5Å; V358-L420 HydrophobicContact CG2-CD1 3.75Å
359	K	98.4	Very high	97.3	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-30.2	179.1	-64.2	-161.7	67.2	158.1	0	113.1	Y357 A386 T413 H415	Y357-K359 HydrophobicContact CD2-CG 3.85Å; Y357-K359 HydrophobicContact CE2-CD 3.93Å; Y357-K359 HydrophobicContact CE2-CG 3.58Å; K359-A386 PolarHBondContact O-N 2.82Å; K359-T413 PolarHBondContact N-O 2.87Å; K359-H415 HydrophobicContact CD-CB 4.32Å; K359-H415 HydrophobicContact CG-CB 4.47Å
360	S	98.6	Very high	96.9	Very high	9 Å²	9	44 Å²	44	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.8	171.8	70	0	0	0	0	112.1	V358 F384 Q412 T413	V358-S360 VanDerWaalsContact CG1-O 3.28Å; V358-S360 WeakPolarHBondContact CG1-O 3.34Å; S360-F384 WeakPolarHBondContact CA-O 3.31Å; S360-F384 WeakPolarHBondContact CB-O 3.37Å; S360-Q412 PolarHBondContact O-N 2.9Å; S360-T413 PolarHBondContact N-O 2.9Å; S360-T413 VanDerWaalsContact N-O 3.16Å; S360-T413 PolarHBondContact N-OG1 3.12Å; S360-T413 PolarHBondContact O-N 2.79Å; S360-T413 PolarHBondContact OG-N 2.91Å; S360-T413 PolarHBondContact OG-OG1 2.63Å
361	Y	98.8	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.2	178.7	64	-94.6	0	0	0	112.8	I342 T344 F384 A386 I409 R410	I342-Y361 HydrophobicContact CD1-CE2 4.36Å; I342-Y361 HydrophobicContact CG2-CE2 4.47Å; I342-Y361 WeakPolarHBondContact CG2-OH 3.28Å; T344-Y361 HydrophobicContact CG2-CD1 4.28Å; T344-Y361 HydrophobicContact CG2-CE1 3.66Å; Y361-F384 HydrophobicContact CD1-CB 4.24Å; Y361-F384 HydrophobicContact CD2-CB 4.04Å; Y361-F384 AromaticContact CD2-CD2 3.86Å; Y361-F384 HydrophobicContact CD2-CD2 3.86Å; Y361-F384 HydrophobicContact CD2-CG 4.27Å; Y361-F384 HydrophobicContact CE1-CB 3.88Å; Y361-F384 HydrophobicContact CE2-CB 3.67Å; Y361-F384 AromaticContact CE2-CD2 3.52Å; Y361-F384 HydrophobicContact CE2-CD2 3.52Å; Y361-F384 HydrophobicContact CE2-CE2 4.29Å; Y361-F384 AromaticContact CE2-CG 3.69Å; Y361-F384 HydrophobicContact CE2-CG 3.69Å; Y361-F384 HydrophobicContact CG-CB 4.3Å; Y361-F384 AromaticContact CZ-CG 3.93Å; Y361-F384 PolarHBondContact N-O 3.32Å; Y361-F384 VanDerWaalsContact N-O 3.12Å; Y361-F384 PolarHBondContact O-N 3.48Å; Y361-A386 HydrophobicContact CD1-CB 3.8Å; Y361-A386 HydrophobicContact CE1-CB 3.91Å; Y361-I409 HydrophobicContact CD1-CG2 4.46Å; Y361-I409 HydrophobicContact CD2-CG2 3.92Å; Y361-I409 HydrophobicContact CE2-CD1 4.34Å; Y361-I409 HydrophobicContact CG-CG2 3.9Å; Y361-R410 CarbonylContact C-O 3.58Å; Y361-R410 VanDerWaalsContact CA-O 3.25Å; Y361-R410 WeakPolarHBondContact CA-O 3.45Å; Y361-R410 WeakPolarHBondContact CB-O 3.11Å
362	K	98.6	Very high	96.7	Very high	48 Å²	48	36.6 Å²	36.6	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.3	163.7	-75.1	171.7	-176.3	153.9	0	109.9	V374 H381 V383 R410 Q412	K362-V374 HydrophobicContact CD-CG1 4.4Å; K362-H381 HydrophobicContact CD-CB 4.29Å; K362-V383 HydrophobicContact CG-CG2 4.33Å; K362-R410 PolarHBondContact N-O 2.92Å; K362-R410 PolarHBondContact O-N 2.89Å; K362-Q412 HydrophobicContact CB-CG 4.48Å; K362-Q412 HydrophobicContact CD-CG 4.23Å; K362-Q412 HydrophobicContact CG-CG 3.98Å
363	L	98.6	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.4	173.3	173.4	61.7	0	0	0	109.5	L339 I342 V365 Y375 F384 L398 L402 V407 I409	L339-L363 HydrophobicContact CD2-CD1 4.43Å; L339-L363 HydrophobicContact CD2-CD2 4.24Å; I342-L363 HydrophobicContact CD1-CD1 3.86Å; I342-L363 HydrophobicContact CD1-CD2 3.91Å; I342-L363 HydrophobicContact CD1-CG 4.34Å; L363-V365 HydrophobicContact CD1-CG1 3.93Å; L363-V365 HydrophobicContact CD2-CG1 4.38Å; L363-V365 HydrophobicContact CG-CG1 4.06Å; L363-Y375 HydrophobicContact CD2-CD1 4.34Å; L363-Y375 HydrophobicContact CD2-CG 4.18Å; L363-Y375 PolarHBondContact O-N 2.8Å; L363-F384 HydrophobicContact CB-CD2 4.5Å; L363-F384 HydrophobicContact CB-CE2 3.7Å; L363-F384 HydrophobicContact CB-CZ 4.45Å; L363-F384 HydrophobicContact CD2-CZ 4.5Å; L363-L398 HydrophobicContact CD2-CD1 4.32Å; L363-L398 HydrophobicContact CD2-CD2 4.01Å; L363-L402 HydrophobicContact CD2-CD1 3.71Å; L363-V407 HydrophobicContact CD1-CG1 3.82Å; L363-I409 HydrophobicContact CD1-CD1 4.31Å
364	E	98.3	Very high	96.7	Very high	20 Å²	20	29 Å²	29	9%	0.093	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.9	165	-95.4	168.5	-142.9	0	0	110	W372 M373 V374 R408 R410	E364-W372 HydrophobicContact CB-CE3 4.09Å; E364-M373 CarbonylContact C-O 3.57Å; E364-M373 VanDerWaalsContact CA-O 3.3Å; E364-M373 WeakPolarHBondContact CA-O 3.14Å; E364-V374 HydrophobicContact CG-CB 4.21Å; E364-V374 HydrophobicContact CG-CG1 4.49Å; E364-V374 HydrophobicContact CG-CG2 3.77Å; E364-R408 HydrophobicContact CB-CB 3.79Å; E364-R408 PolarHBondContact N-O 2.92Å; E364-R408 PolarHBondContact O-N 3.03Å; E364-R410 VanDerWaalsContact CD-NH1 3.26Å; E364-R410 WeakPolarHBondContact OE1-CD 3.41Å; E364-R410 IonicContact OE1-CZ 3.52Å; E364-R410 IonicContact OE1-NE 3.25Å; E364-R410 IonicContact OE1-NH1 3.55Å; E364-R410 PolarHBondContact OE1-NH1 2.96Å; E364-R410 WeakPolarHBondContact OE2-CD 3.19Å; E364-R410 IonicContact OE2-CZ 3.94Å; E364-R410 IonicContact OE2-NH1 3.35Å; E364-R410 PolarHBondContact OE2-NH1 2.75Å
365	V	98.5	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.5	-178.6	-69.7	0	0	0	0	111.6	L363 M373 L402 T404 F406 T557	L363-V365 HydrophobicContact CD1-CG1 3.93Å; L363-V365 HydrophobicContact CD2-CG1 4.38Å; L363-V365 HydrophobicContact CG-CG1 4.06Å; V365-M373 HydrophobicContact CG2-CB 4.16Å; V365-M373 HydrophobicContact CG2-CE 3.72Å; V365-M373 PolarHBondContact N-O 2.99Å; V365-M373 PolarHBondContact O-N 3.08Å; V365-L402 HydrophobicContact CG1-CD1 3.99Å; V365-L402 HydrophobicContact CG2-CD1 4.21Å; V365-T404 HydrophobicContact CB-CG2 4.4Å; V365-T404 HydrophobicContact CG1-CG2 4.09Å; V365-F406 VanDerWaalsContact CA-O 3.3Å; V365-F406 WeakPolarHBondContact CA-O 3.41Å; V365-T557 HydrophobicContact CG2-CG2 4.41Å
366	S	98.2	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.8	177.4	-178.9	0	0	0	0	111.9	N368 G369 D371 T404 R405 F406 D556	S366-N368 PolarHBondContact OG-N 3.35Å; S366-N368 PolarHBondContact OG-OD1 2.74Å; S366-N368 VanDerWaalsContact OG-OD1 3.08Å; S366-G369 PolarHBondContact OG-N 2.79Å; S366-D371 WeakPolarHBondContact CB-O 3.28Å; S366-D371 PolarHBondContact OG-O 2.91Å; S366-T404 PolarHBondContact N-OG1 3.49Å; S366-T404 PolarHBondContact O-OG1 2.97Å; S366-R405 PolarHBondContact O-N 3.38Å; S366-R405 VanDerWaalsContact O-N 3.16Å; S366-F406 PolarHBondContact N-O 2.87Å; S366-F406 PolarHBondContact O-N 3Å; S366-D556 WeakPolarHBondContact CA-OD2 3.36Å
367	T	96.9	Very high	96	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	16%	0.155	C	C	.	.	S	Bend	trans	-85.4	-26.5	169.3	72.4	0	0	0	0	114.1	L336 V468 Q504 D556 P558	L336-T367 HydrophobicContact CD1-CG2 4.03Å; T367-V468 HydrophobicContact CG2-CG2 3.88Å; T367-Q504 PolarHBondContact OG1-NE2 2.74Å; T367-D556 PolarHBondContact N-OD2 3.36Å; T367-D556 PolarHBondContact OG1-OD1 3.09Å; T367-P558 VanDerWaalsContact CG2-CD 3.44Å; T367-P558 HydrophobicContact CG2-CG 4Å
368	N	91.9	Very high	95.5	Very high	39 Å²	39	35.4 Å²	35.4	21%	0.209	19%	0.185	C	C	.	.	S	Bend	trans	-121.9	-12.1	-171	64.1	6.2	0	0	0	114.7	S366 E370 D371	S366-N368 PolarHBondContact OG-N 3.35Å; S366-N368 PolarHBondContact OG-OD1 2.74Å; S366-N368 VanDerWaalsContact OG-OD1 3.08Å; N368-E370 VanDerWaalsContact C-N 3.3Å; N368-E370 PolarHBondContact OD1-N 3.04Å; N368-D371 PolarHBondContact ND2-OD2 2.88Å; N368-D371 PolarHBondContact OD1-N 3.21Å
369	G	92.8	Very high	94.9	Very high	23 Å²	23	44.2 Å²	44.2	24%	0.237	22%	0.224	C	C	.	.	S	Bend	trans	86.8	-5.5	-177.8	0	0	0	0	0	114.3	S366 W372 F406	S366-G369 PolarHBondContact OG-N 2.79Å; G369-W372 WeakPolarHBondContact O-CZ2 3.38Å; G369-W372 PolarHBondContact O-NE1 2.83Å; G369-F406 VanDerWaalsContact N-CD2 3.33Å
370	E	90.9	Very high	94.5	Very high	92 Å²	92	46.3 Å²	46.3	43%	0.43	24%	0.239	S	C	.	.	S	Bend	trans	-102.4	-48.2	176.8	-67	170.1	-146.1	0	0	111.8	N368 R471 R507	N368-E370 VanDerWaalsContact C-N 3.3Å; N368-E370 PolarHBondContact OD1-N 3.04Å; E370-R471 IonicContact OE1-CZ 3.89Å; E370-R471 IonicContact OE1-NH1 3.69Å; E370-R471 PolarHBondContact OE1-NH1 3.17Å; E370-R471 IonicContact OE1-NH2 3.1Å; E370-R471 IonicContact OE2-NH1 3.67Å; E370-R507 IonicContact OE2-CZ 2.71Å; E370-R507 IonicContact OE2-NH1 3.13Å; E370-R507 PolarHBondContact OE2-NH1 3.39Å; E370-R507 IonicContact OE2-NH2 2.78Å
371	D	91.3	Very high	94.4	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.048	25%	0.252	C	S	.	.	S	Bend	trans	-99.4	104.4	-172.5	-67.2	-67.7	0	0	0	109.8	S366 N368 R507 Y555 D556	S366-D371 WeakPolarHBondContact CB-O 3.28Å; S366-D371 PolarHBondContact OG-O 2.91Å; N368-D371 PolarHBondContact ND2-OD2 2.88Å; N368-D371 PolarHBondContact OD1-N 3.21Å; D371-R507 IonicContact OD1-CZ 3.88Å; D371-R507 IonicContact OD1-NE 2.69Å; D371-R507 IonicContact OD1-NH1 2.92Å; D371-R507 PolarHBondContact OD1-NH1 3.2Å; D371-R507 IonicContact OD2-CZ 3.51Å; D371-R507 IonicContact OD2-NH1 2.69Å; D371-R507 PolarHBondContact OD2-NH1 3.03Å; D371-Y555 HydrophobicContact CB-CE2 3.89Å; D371-Y555 WeakPolarHBondContact OD1-CE2 3.21Å; D371-Y555 PolarHBondContact OD1-OH 3.18Å; D371-D556 HydrophobicContact CB-CB 3.85Å
372	W	95.1	Very high	94.3	Very high	46 Å²	46	52.4 Å²	52.4	17%	0.174	27%	0.265	C	S	.	.			trans	-104.6	138.7	-171	-65.8	86.3	0	0	0	113.7	Q330 E364 G369 F406 R408	Q330-W372 HydrophobicContact CG-CH2 4.45Å; E364-W372 HydrophobicContact CB-CE3 4.09Å; G369-W372 WeakPolarHBondContact O-CZ2 3.38Å; G369-W372 PolarHBondContact O-NE1 2.83Å; W372-F406 HydrophobicContact CH2-CB 3.56Å; W372-F406 HydrophobicContact CH2-CG 4.38Å; W372-F406 HydrophobicContact CZ2-CB 4.3Å; W372-F406 HydrophobicContact CZ3-CB 4.02Å; W372-R408 VanDerWaalsContact CE2-CZ 3.41Å; W372-R408 HydrophobicContact CE3-CG 4.35Å; W372-R408 HydrophobicContact CH2-CG 3.69Å; W372-R408 HydrophobicContact CZ3-CB 3.99Å; W372-R408 HydrophobicContact CZ3-CG 3.57Å
373	M	95.3	Very high	94.3	Very high	25 Å²	25	52.9 Å²	52.9	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.4	168.8	-169.5	-174.3	62.1	0	0	111.2	E364 V365 L402 H554 T557	E364-M373 CarbonylContact C-O 3.57Å; E364-M373 VanDerWaalsContact CA-O 3.3Å; E364-M373 WeakPolarHBondContact CA-O 3.14Å; V365-M373 HydrophobicContact CG2-CB 4.16Å; V365-M373 HydrophobicContact CG2-CE 3.72Å; V365-M373 PolarHBondContact N-O 2.99Å; V365-M373 PolarHBondContact O-N 3.08Å; M373-L402 HydrophobicContact CE-CD2 4.02Å; M373-H554 HydrophobicContact CG-CB 4.23Å; M373-H554 HydrophobicContact SD-CB 3.61Å; M373-T557 VanDerWaalsContact CB-OG1 3.31Å; M373-T557 WeakPolarHBondContact CB-OG1 3.46Å; M373-T557 HydrophobicContact CE-CG2 3.78Å
374	V	97	Very high	94.2	Very high	29 Å²	29	53 Å²	53	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.6	163.6	-167.4	0	0	0	0	109.3	K362 E364 H381	K362-V374 HydrophobicContact CD-CG1 4.4Å; E364-V374 HydrophobicContact CG-CB 4.21Å; E364-V374 HydrophobicContact CG-CG1 4.49Å; E364-V374 HydrophobicContact CG-CG2 3.77Å; V374-H381 HydrophobicContact CG1-CB 3.94Å
375	Y	97.1	Very high	94.2	Very high	8 Å²	8	58.4 Å²	58.4	3%	0.031	30%	0.298	C	S	.	.			trans	-61.7	145.1	-179.8	-172.5	-121.9	0	0	0	112.4	L363 H381 K382 F384 L398 H399 A400 L402	L363-Y375 HydrophobicContact CD2-CD1 4.34Å; L363-Y375 HydrophobicContact CD2-CG 4.18Å; L363-Y375 PolarHBondContact O-N 2.8Å; Y375-H381 CarbonylContact O-C 3.53Å; Y375-H381 WeakPolarHBondContact O-CA 3.46Å; Y375-K382 HydrophobicContact CD1-CB 3.73Å; Y375-K382 HydrophobicContact CD1-CG 3.93Å; Y375-K382 HydrophobicContact CE1-CB 4.28Å; Y375-K382 HydrophobicContact CE1-CG 4.15Å; Y375-K382 PolarHBondContact O-N 3.01Å; Y375-F384 AromaticContact CD1-CE2 3.96Å; Y375-F384 HydrophobicContact CD1-CE2 3.96Å; Y375-F384 AromaticContact CD1-CZ 3.56Å; Y375-F384 HydrophobicContact CD1-CZ 3.56Å; Y375-F384 AromaticContact CE1-CZ 3.74Å; Y375-F384 HydrophobicContact CE1-CZ 3.74Å; Y375-L398 HydrophobicContact CD1-CD2 4.49Å; Y375-L398 HydrophobicContact CE1-CD2 3.94Å; Y375-H399 AromaticContact CE1-CD2 3.73Å; Y375-H399 AromaticContact CE1-NE2 3.62Å; Y375-H399 AromaticContact CZ-CD2 3.64Å; Y375-H399 AromaticContact CZ-NE2 3.33Å; Y375-H399 VanDerWaalsContact CZ-NE2 3.33Å; Y375-H399 PolarHBondContact OH-CD2 2.97Å; Y375-H399 PolarHBondContact OH-N 2.79Å; Y375-H399 PolarHBondContact OH-NE2 3.31Å; Y375-H399 VanDerWaalsContact OH-NE2 3.08Å; Y375-A400 PolarHBondContact OH-N 2.76Å; Y375-A400 VanDerWaalsContact OH-N 3.17Å; Y375-A400 PolarHBondContact OH-O 2.77Å; Y375-L402 HydrophobicContact CD2-CD1 3.59Å; Y375-L402 HydrophobicContact CD2-CD2 3.89Å; Y375-L402 HydrophobicContact CD2-CG 4.09Å; Y375-L402 HydrophobicContact CE2-CD1 3.81Å; Y375-L402 HydrophobicContact CE2-CD2 3.78Å; Y375-L402 HydrophobicContact CE2-CG 3.88Å; Y375-L402 HydrophobicContact CG-CD1 4.26Å
376	R	91.9	Very high	94.2	Very high	125 Å²	125	58.6 Å²	58.6	47%	0.472	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.5	-172.7	-65.2	-172.7	-175.4	-97.8	-5.9	112.6	K379 N380 H381 H399	R376-K379 PolarHBondContact NH1-O 3.08Å; R376-N380 VanDerWaalsContact CA-O 3.25Å; R376-N380 WeakPolarHBondContact CA-O 3.42Å; R376-N380 WeakPolarHBondContact CB-O 3.46Å; R376-H381 PolarHBondContact NH2-NE2 3.44Å; R376-H399 PolarHBondContact O-NE2 3.46Å
377	H	89.6	Confident	94.2	Very high	119 Å²	119	58.6 Å²	58.6	55%	0.551	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	113.4	166.4	-177.7	-112.1	0	0	0	107.3	N380 K382 H399	H377-N380 PolarHBondContact N-O 2.96Å; H377-K382 HydrophobicContact CB-CB 4.06Å; H377-K382 HydrophobicContact CB-CD 4.11Å; H377-K382 HydrophobicContact CB-CG 4.49Å; H377-H399 AromaticContact CD2-CD2 3.58Å; H377-H399 AromaticContact CD2-CG 3.88Å; H377-H399 AromaticContact CD2-NE2 3.75Å
378	G	88.5	Confident	94.2	Very high	70 Å²	70	64.3 Å²	64.3	72%	0.722	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-136.2	-160.3	0	0	0	0	0	111.5
379	K	86.6	Confident	94.5	Very high	186 Å²	186	64.4 Å²	64.4	81%	0.809	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-31.2	-178.7	-64.1	-178.4	-179.6	177.7	0	113.5	R376	R376-K379 PolarHBondContact NH1-O 3.08Å
380	N	91.1	Very high	94.6	Very high	123 Å²	123	63.7 Å²	63.7	66%	0.658	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	162.8	-167.2	-65.6	-10	0	0	0	112.1	R376 H377	R376-N380 VanDerWaalsContact CA-O 3.25Å; R376-N380 WeakPolarHBondContact CA-O 3.42Å; R376-N380 WeakPolarHBondContact CB-O 3.46Å; H377-N380 PolarHBondContact N-O 2.96Å
381	H	95.4	Very high	94.8	Very high	75 Å²	75	63.1 Å²	63.1	35%	0.347	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	135.2	169.7	-58.7	151.9	0	0	0	110.1	K362 V374 Y375 R376 V383	K362-H381 HydrophobicContact CD-CB 4.29Å; V374-H381 HydrophobicContact CG1-CB 3.94Å; Y375-H381 CarbonylContact O-C 3.53Å; Y375-H381 WeakPolarHBondContact O-CA 3.46Å; R376-H381 PolarHBondContact NH2-NE2 3.44Å; H381-V383 PolarHBondContact O-N 3Å
382	K	96.8	Very high	95	Very high	61 Å²	61	69 Å²	69	27%	0.265	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-74.7	117.7	174.3	171.3	60.3	-177.5	165.1	0	108.6	Y375 H377 F384	Y375-K382 HydrophobicContact CD1-CB 3.73Å; Y375-K382 HydrophobicContact CD1-CG 3.93Å; Y375-K382 HydrophobicContact CE1-CB 4.28Å; Y375-K382 HydrophobicContact CE1-CG 4.15Å; Y375-K382 PolarHBondContact O-N 3.01Å; H377-K382 HydrophobicContact CB-CB 4.06Å; H377-K382 HydrophobicContact CB-CD 4.11Å; H377-K382 HydrophobicContact CB-CG 4.49Å; K382-F384 HydrophobicContact CB-CE2 4.33Å; K382-F384 HydrophobicContact CB-CZ 4.5Å; K382-F384 HydrophobicContact CD-CE1 4.47Å; K382-F384 HydrophobicContact CG-CD1 4.22Å; K382-F384 HydrophobicContact CG-CD2 4.04Å; K382-F384 HydrophobicContact CG-CE1 3.85Å; K382-F384 HydrophobicContact CG-CE2 3.63Å; K382-F384 HydrophobicContact CG-CG 4.34Å; K382-F384 HydrophobicContact CG-CZ 3.55Å
383	V	97.8	Very high	95.2	Very high	58 Å²	58	69.8 Å²	69.8	35%	0.352	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.5	161.9	-178.6	0	0	0	0	108	K362 H381	K362-V383 HydrophobicContact CG-CG2 4.33Å; H381-V383 PolarHBondContact O-N 3Å
384	F	98.3	Very high	95.3	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.8	172.7	-63.2	-87.3	0	0	0	108.8	S360 Y361 L363 Y375 K382 N396 L398	S360-F384 WeakPolarHBondContact CA-O 3.31Å; S360-F384 WeakPolarHBondContact CB-O 3.37Å; Y361-F384 HydrophobicContact CD1-CB 4.24Å; Y361-F384 HydrophobicContact CD2-CB 4.04Å; Y361-F384 AromaticContact CD2-CD2 3.86Å; Y361-F384 HydrophobicContact CD2-CD2 3.86Å; Y361-F384 HydrophobicContact CD2-CG 4.27Å; Y361-F384 HydrophobicContact CE1-CB 3.88Å; Y361-F384 HydrophobicContact CE2-CB 3.67Å; Y361-F384 AromaticContact CE2-CD2 3.52Å; Y361-F384 HydrophobicContact CE2-CD2 3.52Å; Y361-F384 HydrophobicContact CE2-CE2 4.29Å; Y361-F384 AromaticContact CE2-CG 3.69Å; Y361-F384 HydrophobicContact CE2-CG 3.69Å; Y361-F384 HydrophobicContact CG-CB 4.3Å; Y361-F384 AromaticContact CZ-CG 3.93Å; Y361-F384 PolarHBondContact N-O 3.32Å; Y361-F384 VanDerWaalsContact N-O 3.12Å; Y361-F384 PolarHBondContact O-N 3.48Å; L363-F384 HydrophobicContact CB-CD2 4.5Å; L363-F384 HydrophobicContact CB-CE2 3.7Å; L363-F384 HydrophobicContact CB-CZ 4.45Å; L363-F384 HydrophobicContact CD2-CZ 4.5Å; Y375-F384 AromaticContact CD1-CE2 3.96Å; Y375-F384 HydrophobicContact CD1-CE2 3.96Å; Y375-F384 AromaticContact CD1-CZ 3.56Å; Y375-F384 HydrophobicContact CD1-CZ 3.56Å; Y375-F384 AromaticContact CE1-CZ 3.74Å; Y375-F384 HydrophobicContact CE1-CZ 3.74Å; K382-F384 HydrophobicContact CB-CE2 4.33Å; K382-F384 HydrophobicContact CB-CZ 4.5Å; K382-F384 HydrophobicContact CD-CE1 4.47Å; K382-F384 HydrophobicContact CG-CD1 4.22Å; K382-F384 HydrophobicContact CG-CD2 4.04Å; K382-F384 HydrophobicContact CG-CE1 3.85Å; K382-F384 HydrophobicContact CG-CE2 3.63Å; K382-F384 HydrophobicContact CG-CG 4.34Å; K382-F384 HydrophobicContact CG-CZ 3.55Å; F384-N396 HydrophobicContact CD1-CB 3.74Å; F384-N396 WeakPolarHBondContact CD1-OD1 3.13Å; F384-N396 HydrophobicContact CE1-CB 4.29Å; F384-L398 HydrophobicContact CE1-CD2 3.8Å; F384-L398 HydrophobicContact CZ-CD2 3.56Å
385	Q	98.3	Very high	95.3	Very high	134 Å²	134	73.2 Å²	73.2	63%	0.626	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.4	167.5	-59	-60.1	-10.4	0	0	107.6	N396	Q385-N396 PolarHBondContact O-ND2 3.25Å; Q385-N396 PolarHBondContact O-OD1 3.21Å
386	A	97.6	Very high	95.4	Very high	5 Å²	5	74 Å²	74	4%	0.041	39%	0.386	C	S	.	.			trans	-120	-134.9	-176.2	0	0	0	0	0	109.1	V358 K359 Y361	V358-A386 VanDerWaalsContact O-CB 3.25Å; V358-A386 WeakPolarHBondContact O-CB 3.26Å; K359-A386 PolarHBondContact O-N 2.82Å; Y361-A386 HydrophobicContact CD1-CB 3.8Å; Y361-A386 HydrophobicContact CE1-CB 3.91Å
387	N	98.2	Very high	95.6	Very high	0 Å²	0	76 Å²	76	0%	0	40%	0.398	C	S	.	.			trans	-82.8	152.7	-163.7	-56.4	86.2	0	0	0	112.8	T344 Q345 Y357 V358 D389 E392	T344-N387 WeakPolarHBondContact CB-OD1 3.48Å; T344-N387 PolarHBondContact O-ND2 2.83Å; T344-N387 PolarHBondContact O-OD1 3.01Å; T344-N387 PolarHBondContact OG1-OD1 3.08Å; Q345-N387 WeakPolarHBondContact CA-ND2 3.49Å; Y357-N387 HydrophobicContact CD2-CB 4.11Å; Y357-N387 WeakPolarHBondContact CD2-O 3.48Å; Y357-N387 VanDerWaalsContact CE2-O 3.25Å; Y357-N387 WeakPolarHBondContact CE2-O 3.25Å; Y357-N387 HydrophobicContact CG-CB 4.44Å; V358-N387 PolarHBondContact O-N 3.2Å; N387-D389 WeakPolarHBondContact CB-O 3.15Å; N387-E392 PolarHBondContact ND2-O 2.91Å
388	N	97.6	Very high	95.9	Very high	122 Å²	122	71.2 Å²	71.2	65%	0.652	38%	0.376	S	S	*	.	S	Bend	trans	-109.5	-3.3	172.3	-68.7	-57	0	0	0	112.9	Y357	Y357-N388 PolarHBondContact OH-O 2.84Å
389	D	96.9	Very high	96.1	Very high	40 Å²	40	73 Å²	73	21%	0.214	37%	0.365	C	S	.	.	S	Bend	trans	-154.3	-179.9	179.6	69.2	97.6	0	0	0	109.8	Y357 N387 T391 E392	Y357-D389 VanDerWaalsContact CB-O 3.24Å; Y357-D389 WeakPolarHBondContact CB-O 3.43Å; Y357-D389 VanDerWaalsContact CG-O 3.27Å; N387-D389 WeakPolarHBondContact CB-O 3.15Å; D389-T391 WeakPolarHBondContact OD1-CA 3.46Å; D389-T391 WeakPolarHBondContact OD1-CB 3.41Å; D389-T391 PolarHBondContact OD1-N 2.79Å; D389-T391 PolarHBondContact OD1-OG1 3.09Å; D389-E392 PolarHBondContact OD1-N 2.96Å; D389-E392 WeakPolarHBondContact OD2-CB 3.4Å
390	A	96.2	Very high	96.3	Very high	9 Å²	9	66.1 Å²	66.1	7%	0.074	34%	0.343	C	S	.	.	S	Bend	trans	-88.4	-0	-174.5	0	0	0	0	0	115.1	G346 A347 I348 R421	G346-A390 CarbonylContact C-O 3.59Å; A347-A390 PolarHBondContact N-O 2.82Å; I348-A390 HydrophobicContact CD1-CB 4.44Å; I348-A390 HydrophobicContact CG1-CB 3.63Å; A390-R421 PolarHBondContact O-NH2 2.95Å
391	T	94.4	Very high	96.4	Very high	79 Å²	79	64 Å²	64	49%	0.485	34%	0.336	S	S	.	.	S	Bend	trans	-130.8	-40.6	-163.5	41.9	0	0	0	0	115.3	Q345 I348 D389	Q345-T391 PolarHBondContact NE2-O 3.12Å; I348-T391 HydrophobicContact CD1-CG2 3.84Å; I348-T391 HydrophobicContact CG1-CG2 4.46Å; D389-T391 WeakPolarHBondContact OD1-CA 3.46Å; D389-T391 WeakPolarHBondContact OD1-CB 3.41Å; D389-T391 PolarHBondContact OD1-N 2.79Å; D389-T391 PolarHBondContact OD1-OG1 3.09Å
392	E	96.5	Very high	96.5	Very high	134 Å²	134	61.1 Å²	61.1	63%	0.626	32%	0.323	S	S	*	.			trans	-69.6	145.9	-178.3	-64.5	-170.8	175.7	0	0	112.3	N387 D389	N387-E392 PolarHBondContact ND2-O 2.91Å; D389-E392 PolarHBondContact OD1-N 2.96Å; D389-E392 WeakPolarHBondContact OD2-CB 3.4Å
393	V	98.1	Very high	96.6	Very high	62 Å²	62	58.4 Å²	58.4	38%	0.376	31%	0.312	S	S	.	.			trans	-87.9	124.1	177.1	-177.1	0	0	0	0	109.5	L311 A343 Q345	L311-V393 HydrophobicContact CD1-CG1 4.37Å; L311-V393 HydrophobicContact CD2-CG1 4.28Å; A343-V393 HydrophobicContact CB-CG1 3.75Å; Q345-V393 HydrophobicContact CG-CB 4.35Å; Q345-V393 HydrophobicContact CG-CG2 3.78Å
394	V	97.6	Very high	96.6	Very high	38 Å²	38	55.7 Å²	55.7	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.9	175.2	178.7	0	0	0	0	110.3	A343 T344	A343-V394 WeakPolarHBondContact CA-O 3.49Å; T344-V394 PolarHBondContact N-O 2.88Å; T344-V394 PolarHBondContact O-N 2.83Å
395	L	97.9	Very high	96.6	Very high	87 Å²	87	56.7 Å²	56.7	46%	0.455	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.8	179.6	-177.7	70.9	0	0	0	111.7	A341 A343 F425	A341-L395 HydrophobicContact CB-CD1 3.85Å; A341-L395 HydrophobicContact CB-CG 4.5Å; A343-L395 HydrophobicContact CB-CD1 3.98Å; L395-F425 HydrophobicContact CD1-CD2 3.89Å; L395-F425 HydrophobicContact CD1-CE2 3.85Å
396	N	97.4	Very high	96.6	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.1	171.7	-79.8	-94.2	0	0	0	110.5	A341 I342 F384 Q385	A341-N396 VanDerWaalsContact CA-O 3.3Å; A341-N396 WeakPolarHBondContact CA-O 3.34Å; A341-N396 WeakPolarHBondContact CB-O 3.24Å; I342-N396 PolarHBondContact N-O 2.86Å; I342-N396 PolarHBondContact O-N 2.74Å; F384-N396 HydrophobicContact CD1-CB 3.74Å; F384-N396 WeakPolarHBondContact CD1-OD1 3.13Å; F384-N396 HydrophobicContact CE1-CB 4.29Å; Q385-N396 PolarHBondContact O-ND2 3.25Å; Q385-N396 PolarHBondContact O-OD1 3.21Å
397	K	97.2	Very high	96.7	Very high	167 Å²	167	51 Å²	51	73%	0.726	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.9	168.1	-65.4	-176.1	178.8	179.3	0	110.7	A341	A341-K397 HydrophobicContact CB-CB 4.45Å; A341-K397 HydrophobicContact CB-CG 4.05Å
398	L	94.9	Very high	96.7	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.1	175.3	-59.2	-174.4	0	0	0	110.2	L339 T340 L363 Y375 F384 A400 L402	L339-L398 HydrophobicContact CB-CD1 4.48Å; L339-L398 HydrophobicContact CD2-CD1 4.05Å; L339-L398 HydrophobicContact CG-CD1 3.97Å; T340-L398 WeakPolarHBondContact O-CB 3.29Å; T340-L398 PolarHBondContact O-N 3.21Å; L363-L398 HydrophobicContact CD2-CD1 4.32Å; L363-L398 HydrophobicContact CD2-CD2 4.01Å; Y375-L398 HydrophobicContact CD1-CD2 4.49Å; Y375-L398 HydrophobicContact CE1-CD2 3.94Å; F384-L398 HydrophobicContact CE1-CD2 3.8Å; F384-L398 HydrophobicContact CZ-CD2 3.56Å; L398-A400 VanDerWaalsContact C-N 3.26Å; L398-A400 PolarHBondContact O-N 3.45Å; L398-L402 HydrophobicContact CD1-CB 4.48Å; L398-L402 HydrophobicContact CD1-CD1 3.98Å; L398-L402 HydrophobicContact CD1-CG 4.13Å
399	H	92.6	Very high	96.7	Very high	108 Å²	108	46.8 Å²	46.8	50%	0.5	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-29.5	177	70.1	80.9	0	0	0	113	Y375 R376 H377	Y375-H399 AromaticContact CE1-CD2 3.73Å; Y375-H399 AromaticContact CE1-NE2 3.62Å; Y375-H399 AromaticContact CZ-CD2 3.64Å; Y375-H399 AromaticContact CZ-NE2 3.33Å; Y375-H399 VanDerWaalsContact CZ-NE2 3.33Å; Y375-H399 PolarHBondContact OH-CD2 2.97Å; Y375-H399 PolarHBondContact OH-N 2.79Å; Y375-H399 PolarHBondContact OH-NE2 3.31Å; Y375-H399 VanDerWaalsContact OH-NE2 3.08Å; R376-H399 PolarHBondContact O-NE2 3.46Å; H377-H399 AromaticContact CD2-CD2 3.58Å; H377-H399 AromaticContact CD2-CG 3.88Å; H377-H399 AromaticContact CD2-NE2 3.75Å
400	A	91.6	Very high	96.8	Very high	41 Å²	41	47.5 Å²	47.5	34%	0.339	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.3	168.5	0	0	0	0	0	108.3	Y375 L398	Y375-A400 PolarHBondContact OH-N 2.76Å; Y375-A400 VanDerWaalsContact OH-N 3.17Å; Y375-A400 PolarHBondContact OH-O 2.77Å; L398-A400 VanDerWaalsContact C-N 3.26Å; L398-A400 PolarHBondContact O-N 3.45Å
401	P	94.3	Very high	96.9	Very high	79 Å²	79	47.1 Å²	47.1	51%	0.513	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	149.1	171.6	-30.1	38.1	0	0	0	113.1	M338 L339 T340	M338-P401 HydrophobicContact CG-CB 4.17Å; M338-P401 HydrophobicContact SD-CB 3.58Å; M338-P401 VanDerWaalsContact SD-CB 3.58Å; L339-P401 WeakPolarHBondContact O-CA 3.38Å; T340-P401 HydrophobicContact CG2-CB 4.09Å; T340-P401 HydrophobicContact CG2-CG 4.19Å
402	L	96.7	Very high	97.1	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.2	-179.2	-69	173.9	0	0	0	110.8	M338 L339 L363 V365 M373 Y375 L398 T557	M338-L402 CarbonylContact C-O 3.59Å; M338-L402 WeakPolarHBondContact CA-O 3.35Å; L339-L402 HydrophobicContact CB-CB 4.49Å; L339-L402 PolarHBondContact N-O 2.8Å; L339-L402 PolarHBondContact O-N 2.85Å; L363-L402 HydrophobicContact CD2-CD1 3.71Å; V365-L402 HydrophobicContact CG1-CD1 3.99Å; V365-L402 HydrophobicContact CG2-CD1 4.21Å; M373-L402 HydrophobicContact CE-CD2 4.02Å; Y375-L402 HydrophobicContact CD2-CD1 3.59Å; Y375-L402 HydrophobicContact CD2-CD2 3.89Å; Y375-L402 HydrophobicContact CD2-CG 4.09Å; Y375-L402 HydrophobicContact CE2-CD1 3.81Å; Y375-L402 HydrophobicContact CE2-CD2 3.78Å; Y375-L402 HydrophobicContact CE2-CG 3.88Å; Y375-L402 HydrophobicContact CG-CD1 4.26Å; L398-L402 HydrophobicContact CD1-CB 4.48Å; L398-L402 HydrophobicContact CD1-CD1 3.98Å; L398-L402 HydrophobicContact CD1-CG 4.13Å; L402-T557 HydrophobicContact CD2-CG2 4.41Å
403	L	97.9	Very high	97.2	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.1	170.2	-177.1	59.5	0	0	0	109.1	L336 M338 V429 I502 P558	L336-L403 HydrophobicContact CD1-CG 4.25Å; L336-L403 HydrophobicContact CD2-CD1 4.15Å; L336-L403 HydrophobicContact CD2-CD2 3.93Å; L336-L403 HydrophobicContact CD2-CG 3.9Å; L336-L403 HydrophobicContact CG-CD1 3.72Å; L336-L403 HydrophobicContact CG-CD2 4.36Å; L336-L403 HydrophobicContact CG-CG 3.78Å; M338-L403 HydrophobicContact CE-CB 4.05Å; M338-L403 HydrophobicContact CE-CD1 4.22Å; M338-L403 HydrophobicContact SD-CB 4.42Å; L403-V429 HydrophobicContact CD1-CG2 3.48Å; L403-V429 VanDerWaalsContact CD1-CG2 3.48Å; L403-V429 HydrophobicContact CD2-CG2 4.41Å; L403-I502 HydrophobicContact CD2-CD1 3.94Å; L403-I502 HydrophobicContact CD2-CG1 4.31Å; L403-I502 HydrophobicContact CD2-CG2 3.75Å; L403-P558 HydrophobicContact CB-CG 4.08Å; L403-P558 HydrophobicContact CD2-CB 4.33Å; L403-P558 HydrophobicContact CD2-CG 3.96Å; L403-P558 HydrophobicContact CG-CG 3.91Å; L403-P558 WeakPolarHBondContact O-CD 3.47Å
404	T	98.4	Very high	97.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	163.6	-170.2	-170.4	0	0	0	0	112.9	T337 L339 V365 S366 F406 V407	T337-T404 PolarHBondContact N-O 2.65Å; T337-T404 PolarHBondContact O-N 3.1Å; T337-T404 VanDerWaalsContact O-O 3.06Å; L339-T404 HydrophobicContact CB-CG2 4.36Å; V365-T404 HydrophobicContact CB-CG2 4.4Å; V365-T404 HydrophobicContact CG1-CG2 4.09Å; S366-T404 PolarHBondContact N-OG1 3.49Å; S366-T404 PolarHBondContact O-OG1 2.97Å; T404-F406 PolarHBondContact OG1-O 3.48Å; T404-V407 HydrophobicContact CG2-CG2 3.99Å
405	R	98.1	Very high	97.3	Very high	22 Å²	22	45.1 Å²	45.1	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-46.4	171	174.8	179.3	162.9	172.2	-3.7	111.1	L225 I226 D332 L333 R334 S366	L225-R405 PolarHBondContact O-NH1 2.77Å; I226-R405 PolarHBondContact O-NH2 2.97Å; D332-R405 VanDerWaalsContact OD1-CG 3.3Å; D332-R405 WeakPolarHBondContact OD1-CG 3.35Å; D332-R405 IonicContact OD1-CZ 2.84Å; D332-R405 IonicContact OD1-NE 3.04Å; D332-R405 PolarHBondContact OD1-NE 2.85Å; D332-R405 IonicContact OD1-NH2 3.85Å; D332-R405 PolarHBondContact OD1-NH2 3.27Å; D332-R405 IonicContact OD2-CZ 3.44Å; D332-R405 IonicContact OD2-NE 3.84Å; D332-R405 IonicContact OD2-NH2 2.72Å; D332-R405 PolarHBondContact OD2-NH2 3.35Å; L333-R405 VanDerWaalsContact CB-O 3.26Å; L333-R405 WeakPolarHBondContact CB-O 3.32Å; L333-R405 WeakPolarHBondContact CG-O 3.41Å; L333-R405 PolarHBondContact N-O 3.06Å; R334-R405 VanDerWaalsContact O-CD 3.26Å; R334-R405 WeakPolarHBondContact O-CD 3.25Å; R334-R405 PolarHBondContact O-NE 3.44Å; S366-R405 PolarHBondContact O-N 3.38Å; S366-R405 VanDerWaalsContact O-N 3.16Å
406	F	98.6	Very high	97.3	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.088	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.6	-177.7	-63	-95.3	0	0	0	111.3	V331 D332 V365 S366 G369 W372 T404	V331-F406 WeakPolarHBondContact O-CA 3.48Å; D332-F406 HydrophobicContact CB-CD1 3.7Å; D332-F406 HydrophobicContact CB-CE1 3.55Å; D332-F406 HydrophobicContact CB-CZ 4.43Å; V365-F406 VanDerWaalsContact CA-O 3.3Å; V365-F406 WeakPolarHBondContact CA-O 3.41Å; S366-F406 PolarHBondContact N-O 2.87Å; S366-F406 PolarHBondContact O-N 3Å; G369-F406 VanDerWaalsContact N-CD2 3.33Å; W372-F406 HydrophobicContact CH2-CB 3.56Å; W372-F406 HydrophobicContact CH2-CG 4.38Å; W372-F406 HydrophobicContact CZ2-CB 4.3Å; W372-F406 HydrophobicContact CZ3-CB 4.02Å; T404-F406 PolarHBondContact OG1-O 3.48Å
407	V	98.8	Very high	97.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.1	179	176.8	0	0	0	0	109.5	Q330 V331 L333 L339 L363 T404 I409 L424	Q330-V407 CarbonylContact C-O 3.58Å; Q330-V407 VanDerWaalsContact CA-O 3.31Å; Q330-V407 WeakPolarHBondContact CA-O 3.01Å; V331-V407 PolarHBondContact N-O 3Å; V331-V407 PolarHBondContact O-N 2.87Å; L333-V407 HydrophobicContact CD1-CG2 4.2Å; L339-V407 HydrophobicContact CD2-CG1 4.45Å; L339-V407 HydrophobicContact CD2-CG2 4.1Å; L363-V407 HydrophobicContact CD1-CG1 3.82Å; T404-V407 HydrophobicContact CG2-CG2 3.99Å; V407-I409 HydrophobicContact CG1-CD1 4.31Å; V407-L424 HydrophobicContact CB-CD1 4.08Å; V407-L424 HydrophobicContact CG1-CD1 4.07Å; V407-L424 HydrophobicContact CG1-CD2 3.99Å; V407-L424 HydrophobicContact CG2-CD1 4.19Å
408	R	98.8	Very high	97.3	Very high	32 Å²	32	35.7 Å²	35.7	12%	0.121	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.7	173	-86.1	-179.4	-177.2	160.2	4.8	111.6	Y328 L329 Q330 E364 W372	Y328-R408 HydrophobicContact CD2-CG 3.83Å; Y328-R408 HydrophobicContact CE2-CG 4.47Å; Y328-R408 VanDerWaalsContact CE2-NE 3.32Å; Y328-R408 HydrophobicContact CG-CG 4.15Å; Y328-R408 PolarHBondContact OH-NH2 3.16Å; L329-R408 CarbonylContact O-C 3.57Å; L329-R408 VanDerWaalsContact O-CA 3.29Å; L329-R408 WeakPolarHBondContact O-CA 3.21Å; Q330-R408 HydrophobicContact CB-CG 3.95Å; Q330-R408 HydrophobicContact CG-CG 4.13Å; Q330-R408 VanDerWaalsContact OE1-CZ 3.25Å; E364-R408 HydrophobicContact CB-CB 3.79Å; E364-R408 PolarHBondContact N-O 2.92Å; E364-R408 PolarHBondContact O-N 3.03Å; W372-R408 VanDerWaalsContact CE2-CZ 3.41Å; W372-R408 HydrophobicContact CE3-CG 4.35Å; W372-R408 HydrophobicContact CH2-CG 3.69Å; W372-R408 HydrophobicContact CZ3-CB 3.99Å; W372-R408 HydrophobicContact CZ3-CG 3.57Å
409	I	98.8	Very high	97.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.8	169.6	-53	-55.5	0	0	0	108.1	Y328 L329 I342 Y361 L363 V407 L420 L422	Y328-I409 VanDerWaalsContact CA-O 3.31Å; Y328-I409 WeakPolarHBondContact CA-O 3.42Å; L329-I409 PolarHBondContact N-O 3.41Å; L329-I409 VanDerWaalsContact N-O 3.09Å; L329-I409 PolarHBondContact O-N 3.25Å; I342-I409 HydrophobicContact CD1-CD1 3.98Å; I342-I409 HydrophobicContact CG2-CD1 4.04Å; Y361-I409 HydrophobicContact CD1-CG2 4.46Å; Y361-I409 HydrophobicContact CD2-CG2 3.92Å; Y361-I409 HydrophobicContact CE2-CD1 4.34Å; Y361-I409 HydrophobicContact CG-CG2 3.9Å; L363-I409 HydrophobicContact CD1-CD1 4.31Å; V407-I409 HydrophobicContact CG1-CD1 4.31Å; I409-L420 HydrophobicContact CB-CD2 4.26Å; I409-L420 HydrophobicContact CG2-CD1 4.37Å; I409-L420 HydrophobicContact CG2-CD2 3.98Å; I409-L422 HydrophobicContact CD1-CD1 4.3Å; I409-L422 HydrophobicContact CG1-CD1 3.97Å; I409-L422 HydrophobicContact CG1-CD2 3.91Å
410	R	98.6	Very high	97.8	Very high	55 Å²	55	29.8 Å²	29.8	21%	0.208	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	101.3	-177.6	-54.1	-162.1	73.4	167.6	8.3	110.7	K326 Y361 K362 E364	K326-R410 PolarHBondContact O-NH2 3.09Å; Y361-R410 CarbonylContact C-O 3.58Å; Y361-R410 VanDerWaalsContact CA-O 3.25Å; Y361-R410 WeakPolarHBondContact CA-O 3.45Å; Y361-R410 WeakPolarHBondContact CB-O 3.11Å; K362-R410 PolarHBondContact N-O 2.92Å; K362-R410 PolarHBondContact O-N 2.89Å; E364-R410 VanDerWaalsContact CD-NH1 3.26Å; E364-R410 WeakPolarHBondContact OE1-CD 3.41Å; E364-R410 IonicContact OE1-CZ 3.52Å; E364-R410 IonicContact OE1-NE 3.25Å; E364-R410 IonicContact OE1-NH1 3.55Å; E364-R410 PolarHBondContact OE1-NH1 2.96Å; E364-R410 WeakPolarHBondContact OE2-CD 3.19Å; E364-R410 IonicContact OE2-CZ 3.94Å; E364-R410 IonicContact OE2-NH1 3.35Å; E364-R410 PolarHBondContact OE2-NH1 2.75Å
411	P	98.7	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	143.6	176.1	-26.1	35.8	0	0	0	111.9	W318 N325 V358 W414 I418	W318-P411 HydrophobicContact CZ3-CG 4.35Å; N325-P411 WeakPolarHBondContact CA-O 3.36Å; V358-P411 HydrophobicContact CG1-CB 4.04Å; V358-P411 HydrophobicContact CG2-CB 3.95Å; V358-P411 HydrophobicContact CG2-CG 3.96Å; P411-W414 HydrophobicContact CB-CE3 4.25Å; P411-I418 HydrophobicContact CB-CD1 3.84Å; P411-I418 HydrophobicContact CB-CG1 4.11Å; P411-I418 HydrophobicContact CB-CG2 4.24Å; P411-I418 HydrophobicContact CG-CD1 4.13Å; P411-I418 HydrophobicContact CG-CG1 4.46Å; P411-I418 HydrophobicContact CG-CG2 3.73Å
412	Q	98.4	Very high	98.4	Very high	39 Å²	39	25.3 Å²	25.3	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-35.7	179.1	-60.7	-67	-91	0	0	111.9	N325 S360 K362	N325-Q412 PolarHBondContact O-NE2 3.47Å; S360-Q412 PolarHBondContact O-N 2.9Å; K362-Q412 HydrophobicContact CB-CG 4.48Å; K362-Q412 HydrophobicContact CD-CG 4.23Å; K362-Q412 HydrophobicContact CG-CG 3.98Å
413	T	98.7	Very high	98.5	Very high	69 Å²	69	24.7 Å²	24.7	42%	0.423	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.8	168.9	58.8	0	0	0	0	110.1	K359 S360	K359-T413 PolarHBondContact N-O 2.87Å; S360-T413 PolarHBondContact N-O 2.9Å; S360-T413 VanDerWaalsContact N-O 3.16Å; S360-T413 PolarHBondContact N-OG1 3.12Å; S360-T413 PolarHBondContact O-N 2.79Å; S360-T413 PolarHBondContact OG-N 2.91Å; S360-T413 PolarHBondContact OG-OG1 2.63Å
414	W	98.6	Very high	98.5	Very high	76 Å²	76	24.5 Å²	24.5	29%	0.288	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	173.3	-173.6	50.7	90.5	0	0	0	111.4	D323 Y357 P411 G417 I418	D323-W414 HydrophobicContact CB-CZ2 3.77Å; Y357-W414 CarbonylContact O-C 3.58Å; Y357-W414 VanDerWaalsContact O-CA 3.23Å; Y357-W414 WeakPolarHBondContact O-CA 3.47Å; Y357-W414 WeakPolarHBondContact O-CB 3.46Å; P411-W414 HydrophobicContact CB-CE3 4.25Å; W414-G417 VanDerWaalsContact CD1-C 3.42Å; W414-G417 VanDerWaalsContact CD1-CA 3.44Å; W414-I418 HydrophobicContact CB-CG1 4.26Å; W414-I418 HydrophobicContact CD2-CD1 4.11Å; W414-I418 HydrophobicContact CD2-CG1 3.48Å; W414-I418 VanDerWaalsContact CD2-CG1 3.48Å; W414-I418 HydrophobicContact CE3-CD1 3.85Å; W414-I418 HydrophobicContact CE3-CG1 3.61Å; W414-I418 HydrophobicContact CG-CG1 3.79Å; W414-I418 HydrophobicContact CH2-CD1 4.15Å; W414-I418 HydrophobicContact CZ2-CD1 4.37Å; W414-I418 HydrophobicContact CZ2-CG1 4.43Å; W414-I418 HydrophobicContact CZ3-CD1 3.87Å; W414-I418 HydrophobicContact CZ3-CG1 4.16Å
415	H	98.4	Very high	98.5	Very high	87 Å²	87	26.5 Å²	26.5	40%	0.403	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.2	175.1	178.1	-74.9	0	0	0	109.8	Y357 K359 G417	Y357-H415 HydrophobicContact CD1-CB 3.85Å; Y357-H415 HydrophobicContact CD2-CB 3.96Å; Y357-H415 HydrophobicContact CE1-CB 3.42Å; Y357-H415 VanDerWaalsContact CE1-CB 3.42Å; Y357-H415 AromaticContact CE1-CG 3.37Å; Y357-H415 AromaticContact CE1-ND1 3.52Å; Y357-H415 HydrophobicContact CE2-CB 3.53Å; Y357-H415 HydrophobicContact CG-CB 4.1Å; Y357-H415 AromaticContact CZ-CD2 3.79Å; Y357-H415 AromaticContact CZ-CG 3.4Å; Y357-H415 VanDerWaalsContact CZ-CG 3.4Å; Y357-H415 PolarHBondContact N-O 3Å; Y357-H415 PolarHBondContact O-N 2.98Å; Y357-H415 PolarHBondContact OH-CD2 2.94Å; K359-H415 HydrophobicContact CD-CB 4.32Å; K359-H415 HydrophobicContact CG-CB 4.47Å; H415-G417 PolarHBondContact O-N 2.97Å; H415-G417 VanDerWaalsContact O-O 3.11Å
416	S	97.3	Very high	98.4	Very high	78 Å²	78	25.5 Å²	25.5	55%	0.545	12%	0.124	S	C	.	.	S	Bend	trans	63	-48.9	-169.4	-49.5	0	0	0	0	114.5	G355	G355-S416 WeakPolarHBondContact O-CB 3.02Å; G355-S416 PolarHBondContact O-OG 3.44Å
417	G	97.4	Very high	98.3	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	180	173.7	-178.2	0	0	0	0	0	110.4	D323 W414 H415 A419	D323-G417 WeakPolarHBondContact OD2-CA 3.08Å; W414-G417 VanDerWaalsContact CD1-C 3.42Å; W414-G417 VanDerWaalsContact CD1-CA 3.44Å; H415-G417 PolarHBondContact O-N 2.97Å; H415-G417 VanDerWaalsContact O-O 3.11Å; G417-A419 PolarHBondContact O-N 2.81Å
418	I	98.8	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.137	C	C	.	.			trans	-76.9	114.3	176.5	-63.8	173.8	0	0	0	108.7	W318 T319 P320 D323 V358 P411 W414	W318-I418 HydrophobicContact CZ3-CG2 3.98Å; T319-I418 WeakPolarHBondContact CB-O 3.25Å; T319-I418 VanDerWaalsContact CG2-O 3.25Å; T319-I418 WeakPolarHBondContact CG2-O 3.37Å; T319-I418 PolarHBondContact OG1-O 3Å; P320-I418 HydrophobicContact CG-CB 4.03Å; P320-I418 HydrophobicContact CG-CD1 4.02Å; P320-I418 HydrophobicContact CG-CG2 4.06Å; D323-I418 HydrophobicContact CB-CD1 4.4Å; D323-I418 HydrophobicContact CB-CG1 4.4Å; D323-I418 VanDerWaalsContact OD1-CB 3.27Å; D323-I418 WeakPolarHBondContact OD1-CB 3.35Å; D323-I418 WeakPolarHBondContact OD1-CG1 3.37Å; D323-I418 PolarHBondContact OD1-N 3.48Å; V358-I418 HydrophobicContact CG2-CG2 3.95Å; P411-I418 HydrophobicContact CB-CD1 3.84Å; P411-I418 HydrophobicContact CB-CG1 4.11Å; P411-I418 HydrophobicContact CB-CG2 4.24Å; P411-I418 HydrophobicContact CG-CD1 4.13Å; P411-I418 HydrophobicContact CG-CG1 4.46Å; P411-I418 HydrophobicContact CG-CG2 3.73Å; W414-I418 HydrophobicContact CB-CG1 4.26Å; W414-I418 HydrophobicContact CD2-CD1 4.11Å; W414-I418 HydrophobicContact CD2-CG1 3.48Å; W414-I418 VanDerWaalsContact CD2-CG1 3.48Å; W414-I418 HydrophobicContact CE3-CD1 3.85Å; W414-I418 HydrophobicContact CE3-CG1 3.61Å; W414-I418 HydrophobicContact CG-CG1 3.79Å; W414-I418 HydrophobicContact CH2-CD1 4.15Å; W414-I418 HydrophobicContact CZ2-CD1 4.37Å; W414-I418 HydrophobicContact CZ2-CG1 4.43Å; W414-I418 HydrophobicContact CZ3-CD1 3.87Å; W414-I418 HydrophobicContact CZ3-CG1 4.16Å
419	A	98.6	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.			trans	-132	139.4	159.5	0	0	0	0	0	110	W304 W318 A347 G417	W304-A419 HydrophobicContact CZ3-CB 4.13Å; W318-A419 CarbonylContact O-C 3.19Å; W318-A419 WeakPolarHBondContact O-CA 3.23Å; A347-A419 HydrophobicContact CB-CB 4.02Å; G417-A419 PolarHBondContact O-N 2.81Å
420	L	98.6	Very high	97.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-137.4	133.6	-177	-154.4	95.2	0	0	0	112.6	W318 L329 T344 V358 I409 L422	W318-L420 HydrophobicContact CE3-CB 4.01Å; W318-L420 PolarHBondContact N-O 2.86Å; W318-L420 PolarHBondContact O-N 2.87Å; L329-L420 HydrophobicContact CB-CD2 4.45Å; L329-L420 HydrophobicContact CD2-CD2 3.63Å; T344-L420 HydrophobicContact CG2-CD1 4.24Å; V358-L420 HydrophobicContact CB-CD1 3.95Å; V358-L420 HydrophobicContact CG1-CD1 4.5Å; V358-L420 HydrophobicContact CG2-CD1 3.75Å; I409-L420 HydrophobicContact CB-CD2 4.26Å; I409-L420 HydrophobicContact CG2-CD1 4.37Å; I409-L420 HydrophobicContact CG2-CD2 3.98Å; L420-L422 HydrophobicContact CD2-CB 4.18Å
421	R	98.8	Very high	97.2	Very high	25 Å²	25	26.4 Å²	26.4	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.2	155.4	-72.2	176.7	-63.1	158	8.1	108.9	S309 R310 G313 T344 Q345 G346 A390	S309-R421 CarbonylContact O-C 3.58Å; S309-R421 VanDerWaalsContact O-CA 3.29Å; S309-R421 WeakPolarHBondContact O-CA 3.18Å; R310-R421 WeakPolarHBondContact O-CB 3.4Å; R310-R421 WeakPolarHBondContact O-CD 3.41Å; R310-R421 WeakPolarHBondContact O-CG 3.3Å; G313-R421 PolarHBondContact O-NH1 3.05Å; T344-R421 CarbonylContact C-O 3.57Å; T344-R421 WeakPolarHBondContact CA-O 3.36Å; Q345-R421 HydrophobicContact CB-CB 3.89Å; Q345-R421 PolarHBondContact N-O 3.17Å; Q345-R421 PolarHBondContact O-N 2.92Å; G346-R421 VanDerWaalsContact O-CZ 3.28Å; G346-R421 PolarHBondContact O-NE 3.37Å; G346-R421 PolarHBondContact O-NH2 2.84Å; A390-R421 PolarHBondContact O-NH2 2.95Å
422	L	98.6	Very high	96.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.6	-158.6	176.5	66.8	0	0	0	112	M283 S309 L311 L329 V331 I342 A343 T344 I409 L420 L424	M283-L422 WeakPolarHBondContact CB-O 3.35Å; M283-L422 HydrophobicContact CE-CB 4.37Å; M283-L422 HydrophobicContact CE-CD2 4.32Å; M283-L422 WeakPolarHBondContact CG-O 3.31Å; S309-L422 PolarHBondContact O-N 2.79Å; L311-L422 PolarHBondContact N-O 3.34Å; L329-L422 HydrophobicContact CD2-CB 4.34Å; L329-L422 HydrophobicContact CD2-CD2 3.76Å; V331-L422 HydrophobicContact CG2-CD2 4.2Å; I342-L422 HydrophobicContact CG2-CD1 3.61Å; A343-L422 WeakPolarHBondContact O-CA 3.33Å; T344-L422 HydrophobicContact CG2-CD1 4.3Å; I409-L422 HydrophobicContact CD1-CD1 4.3Å; I409-L422 HydrophobicContact CG1-CD1 3.97Å; I409-L422 HydrophobicContact CG1-CD2 3.91Å; L420-L422 HydrophobicContact CD2-CB 4.18Å; L422-L424 HydrophobicContact CD1-CD2 3.95Å; L422-L424 HydrophobicContact CD2-CD2 4.28Å; L422-L424 HydrophobicContact CD2-CG 4.47Å; L422-L424 HydrophobicContact CG-CD2 4.28Å; L422-L424 HydrophobicContact CG-CG 4.47Å
423	E	98.8	Very high	96.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.4	155.4	-176.6	58.6	-83.1	0	0	110.2	P280 G282 M283 E284 L311 A343 F425	P280-E423 HydrophobicContact CB-CG 3.89Å; G282-E423 PolarHBondContact N-OE1 2.77Å; M283-E423 HydrophobicContact CB-CB 4.48Å; M283-E423 WeakPolarHBondContact CB-OE1 3.45Å; M283-E423 WeakPolarHBondContact CG-OE1 3.44Å; M283-E423 VanDerWaalsContact N-CD 3.29Å; M283-E423 PolarHBondContact N-OE1 2.88Å; M283-E423 PolarHBondContact N-OE2 3.13Å; E284-E423 PolarHBondContact N-OE2 3.14Å; L311-E423 HydrophobicContact CB-CB 3.95Å; L311-E423 HydrophobicContact CD2-CB 3.86Å; L311-E423 HydrophobicContact CG-CB 4.38Å; A343-E423 PolarHBondContact N-O 2.94Å; A343-E423 PolarHBondContact O-N 2.93Å; E423-F425 HydrophobicContact CB-CE2 3.89Å; E423-F425 HydrophobicContact CB-CZ 4.18Å; E423-F425 HydrophobicContact CG-CD2 4.36Å; E423-F425 HydrophobicContact CG-CE1 4.36Å; E423-F425 HydrophobicContact CG-CE2 3.72Å; E423-F425 HydrophobicContact CG-CZ 3.73Å
424	L	98.8	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.1	178.4	-58.3	177.3	0	0	0	108.8	L281 V331 L333 L339 I342 V407 L422	L281-L424 HydrophobicContact CB-CB 4.39Å; L281-L424 WeakPolarHBondContact CB-O 3.31Å; L281-L424 HydrophobicContact CD1-CB 3.98Å; L281-L424 HydrophobicContact CG-CB 4.44Å; L281-L424 WeakPolarHBondContact CG-O 3.39Å; L281-L424 PolarHBondContact N-O 3.03Å; V331-L424 HydrophobicContact CB-CD1 4.08Å; V331-L424 HydrophobicContact CG1-CD1 4.14Å; V331-L424 HydrophobicContact CG2-CD1 4.21Å; L333-L424 HydrophobicContact CD2-CD1 4.29Å; L339-L424 HydrophobicContact CD1-CB 3.93Å; L339-L424 HydrophobicContact CD1-CD2 4.16Å; I342-L424 HydrophobicContact CG1-CD2 4.01Å; I342-L424 HydrophobicContact CG2-CD2 4.27Å; V407-L424 HydrophobicContact CB-CD1 4.08Å; V407-L424 HydrophobicContact CG1-CD1 4.07Å; V407-L424 HydrophobicContact CG1-CD2 3.99Å; V407-L424 HydrophobicContact CG2-CD1 4.19Å; L422-L424 HydrophobicContact CD1-CD2 3.95Å; L422-L424 HydrophobicContact CD2-CD2 4.28Å; L422-L424 HydrophobicContact CD2-CG 4.47Å; L422-L424 HydrophobicContact CG-CD2 4.28Å; L422-L424 HydrophobicContact CG-CG 4.47Å
425	F	98.6	Very high	95.7	Very high	44 Å²	44	23.1 Å²	23.1	19%	0.193	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.8	-177.7	-62.7	-97.1	0	0	0	110.8	N278 V279 P280 T340 A341 A343 L395 E423	N278-F425 WeakPolarHBondContact O-CD1 3.35Å; V279-F425 CarbonylContact O-C 3.54Å; V279-F425 WeakPolarHBondContact O-CA 3.47Å; P280-F425 HydrophobicContact CB-CD1 4.08Å; P280-F425 HydrophobicContact CB-CE1 3.84Å; P280-F425 HydrophobicContact CG-CE1 4.45Å; T340-F425 PolarHBondContact N-O 3.4Å; T340-F425 PolarHBondContact OG1-O 2.82Å; A341-F425 HydrophobicContact CB-CB 4.04Å; A341-F425 HydrophobicContact CB-CD2 4.42Å; A341-F425 PolarHBondContact N-O 3.18Å; A341-F425 PolarHBondContact O-N 3.19Å; A343-F425 HydrophobicContact CB-CE2 3.66Å; A343-F425 HydrophobicContact CB-CZ 4.42Å; L395-F425 HydrophobicContact CD1-CD2 3.89Å; L395-F425 HydrophobicContact CD1-CE2 3.85Å; E423-F425 HydrophobicContact CB-CE2 3.89Å; E423-F425 HydrophobicContact CB-CZ 4.18Å; E423-F425 HydrophobicContact CG-CD2 4.36Å; E423-F425 HydrophobicContact CG-CE1 4.36Å; E423-F425 HydrophobicContact CG-CE2 3.72Å; E423-F425 HydrophobicContact CG-CZ 3.73Å
426	G	96.9	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-153.8	-169	0	0	0	0	0	115.6	C277 N278 V279 M338	C277-G426 CarbonylContact C-O 3.6Å; N278-G426 PolarHBondContact N-O 3.11Å; V279-G426 PolarHBondContact N-O 2.86Å; V279-G426 PolarHBondContact O-N 3.46Å; M338-G426 CarbonylContact O-C 3.57Å; M338-G426 WeakPolarHBondContact O-CA 3.3Å
427	C	95.3	Very high	95.6	Very high	16 Å²	16	18.2 Å²	18.2	11%	0.108	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	167.6	172.2	63.8	0	0	0	0	111.7	F275 C277 M338 D431	F275-C427 HydrophobicContact CE1-CB 3.49Å; F275-C427 VanDerWaalsContact CE1-CB 3.49Å; F275-C427 HydrophobicContact CZ-CB 3.54Å; C277-C427 HydrophobicContact CB-CB 3.84Å; C277-C427 WeakPolarHBondContact CB-SG 3.43Å; C277-C427 WeakPolarHBondContact SG-CB 3.18Å; C277-C427 PolarHBondContact SG-N 2.92Å; C277-C427 VanDerWaalsContact SG-N 3.39Å; C277-C427 CovalentContact SG-SG 2.04Å; C277-C427 PolarHBondContact SG-SG 3.5Å; M338-C427 WeakPolarHBondContact CB-O 3.36Å; M338-C427 PolarHBondContact N-O 2.97Å; M338-C427 PolarHBondContact O-N 2.88Å; C427-D431 HydrophobicContact CB-CB 4.44Å; C427-D431 WeakPolarHBondContact CB-OD2 3.41Å
428	R	94.6	Very high	95.5	Very high	64 Å²	64	19.6 Å²	19.6	24%	0.242	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	150.9	168.2	-55.9	169.1	-67.8	-161.5	3.5	109.2	E186 T430 D431	E186-R428 IonicContact OE1-CZ 2.82Å; E186-R428 IonicContact OE1-NH1 3.71Å; E186-R428 PolarHBondContact OE1-NH1 2.84Å; R428-T430 WeakPolarHBondContact CB-OG1 3.45Å; R428-T430 PolarHBondContact O-N 3.34Å; R428-D431 WeakPolarHBondContact CB-OD2 3.38Å; R428-D431 IonicContact CZ-OD1 2.79Å; R428-D431 PolarHBondContact N-OD2 3.02Å; R428-D431 IonicContact NE-OD1 3.56Å; R428-D431 PolarHBondContact NE-OD1 2.83Å; R428-D431 IonicContact NE-OD2 2.67Å; R428-D431 IonicContact NH2-OD1 2.79Å; R428-D431 PolarHBondContact NH2-OD1 3.3Å; R428-D431 PolarHBondContact O-N 3.32Å
429	V	93.6	Very high	95.3	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.036	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-59.2	-32.8	175.9	177.2	0	0	0	0	111.8	L403 S435 I502 I560 R562 L590	L403-V429 HydrophobicContact CD1-CG2 3.48Å; L403-V429 VanDerWaalsContact CD1-CG2 3.48Å; L403-V429 HydrophobicContact CD2-CG2 4.41Å; V429-S435 WeakPolarHBondContact O-CB 3.27Å; V429-S435 PolarHBondContact O-OG 2.69Å; V429-S435 VanDerWaalsContact O-OG 3.12Å; V429-I502 HydrophobicContact CG1-CD1 4.28Å; V429-I560 HydrophobicContact CG1-CD1 4.23Å; V429-R562 PolarHBondContact O-NH2 3.34Å; V429-L590 HydrophobicContact CG1-CD1 4.19Å; V429-L590 HydrophobicContact CG1-CD2 4Å
430	T	92.8	Very high	95.2	Very high	22 Å²	22	19.6 Å²	19.6	14%	0.135	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-74.3	-15.1	-179.5	39.1	0	0	0	0	114.8	S241 R428 A432	S241-T430 WeakPolarHBondContact CB-OG1 3.3Å; S241-T430 PolarHBondContact OG-OG1 2.87Å; R428-T430 WeakPolarHBondContact CB-OG1 3.45Å; R428-T430 PolarHBondContact O-N 3.34Å; T430-A432 PolarHBondContact O-N 2.88Å
431	D	90.8	Very high	95.1	Very high	20 Å²	20	19.6 Å²	19.6	11%	0.107	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-68.6	-18.1	178	-65.1	-30.3	0	0	0	112.4	P271 F275 C427 R428	P271-D431 VanDerWaalsContact CB-O 3.31Å; P271-D431 WeakPolarHBondContact CB-O 3.39Å; F275-D431 HydrophobicContact CD1-CB 3.94Å; F275-D431 HydrophobicContact CE1-CB 3.46Å; F275-D431 VanDerWaalsContact CE1-CB 3.46Å; F275-D431 HydrophobicContact CE2-CB 4.48Å; F275-D431 HydrophobicContact CZ-CB 3.77Å; C427-D431 HydrophobicContact CB-CB 4.44Å; C427-D431 WeakPolarHBondContact CB-OD2 3.41Å; R428-D431 WeakPolarHBondContact CB-OD2 3.38Å; R428-D431 IonicContact CZ-OD1 2.79Å; R428-D431 PolarHBondContact N-OD2 3.02Å; R428-D431 IonicContact NE-OD1 3.56Å; R428-D431 PolarHBondContact NE-OD1 2.83Å; R428-D431 IonicContact NE-OD2 2.67Å; R428-D431 IonicContact NH2-OD1 2.79Å; R428-D431 PolarHBondContact NH2-OD1 3.3Å; R428-D431 PolarHBondContact O-N 3.32Å
432	A	89.4	Confident	94.9	Very high	24 Å²	24	18.5 Å²	18.5	20%	0.198	10%	0.102	C	C	.	.	S	Bend	trans	-83.8	136.7	174.8	0	0	0	0	0	111.6	T430 C434 S435	T430-A432 PolarHBondContact O-N 2.88Å; A432-C434 PolarHBondContact O-N 3.04Å; A432-S435 WeakPolarHBondContact O-CB 3.41Å; A432-S435 PolarHBondContact O-N 2.85Å
433	P	88.9	Confident	94.4	Very high	58 Å²	58	18.7 Å²	18.7	38%	0.377	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	129.4	-174.6	22.8	-33.4	0	0	0	112.5	K499	P433-K499 PolarHBondContact O-NZ 2.89Å
434	C	91.4	Very high	94	Very high	31 Å²	31	22.7 Å²	22.7	21%	0.209	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	50.4	-174	-167.9	0	0	0	0	113.1	A432 K499 G591 C592	A432-C434 PolarHBondContact O-N 3.04Å; C434-K499 HydrophobicContact CB-CD 4.02Å; C434-K499 WeakPolarHBondContact O-CD 3.29Å; C434-G591 CarbonylContact C-O 3.59Å; C434-C592 HydrophobicContact CB-CB 3.9Å; C434-C592 WeakPolarHBondContact CB-SG 3.33Å; C434-C592 WeakPolarHBondContact SG-CB 3.25Å; C434-C592 PolarHBondContact SG-N 2.71Å; C434-C592 CovalentContact SG-SG 2.04Å; C434-C592 PolarHBondContact SG-SG 3.5Å
435	S	94.5	Very high	93.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	13%	0.127	C	C	.	.			trans	-129	34.4	-178.2	-167.8	0	0	0	0	113.2	V429 A432 R562	V429-S435 WeakPolarHBondContact O-CB 3.27Å; V429-S435 PolarHBondContact O-OG 2.69Å; V429-S435 VanDerWaalsContact O-OG 3.12Å; A432-S435 WeakPolarHBondContact O-CB 3.41Å; A432-S435 PolarHBondContact O-N 2.85Å; S435-R562 PolarHBondContact OG-NH2 2.96Å
436	N	95.3	Very high	92.9	Very high	38 Å²	38	22.7 Å²	22.7	20%	0.203	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	143.4	175.8	-54	-28.2	0	0	0	110.3	L590 G591	N436-L590 VanDerWaalsContact O-CA 3.32Å; N436-L590 WeakPolarHBondContact O-CA 3.32Å; N436-G591 WeakPolarHBondContact CB-O 3.44Å; N436-G591 PolarHBondContact N-O 3.01Å; N436-G591 PolarHBondContact O-N 3.04Å
437	M	96.4	Very high	92.3	Very high	25 Å²	25	24.8 Å²	24.8	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.5	167.1	-62.3	-174.6	-63.8	0	0	108.6	T242 L441 E588 L590	T242-M437 HydrophobicContact CG2-CE 4.16Å; M437-L441 HydrophobicContact SD-CD1 4.3Å; M437-E588 HydrophobicContact CB-CG 3.94Å; M437-E588 HydrophobicContact CG-CG 4.13Å; M437-L590 HydrophobicContact CG-CD2 3.89Å
438	L	96.3	Very high	91.8	Very high	32 Å²	32	29.7 Å²	29.7	17%	0.168	18%	0.178	C	C	.	.			trans	-85.5	-12.3	-167.6	-64.1	-176.3	0	0	0	114.6	I445 L492 K496 V498 V589	L438-I445 HydrophobicContact CB-CD1 4.35Å; L438-L492 HydrophobicContact CB-CD2 4.05Å; L438-L492 HydrophobicContact CD1-CD1 3.87Å; L438-L492 HydrophobicContact CD1-CD2 3.82Å; L438-L492 HydrophobicContact CD1-CG 4.48Å; L438-K496 HydrophobicContact CD1-CB 4.39Å; L438-K496 HydrophobicContact CD1-CG 4.35Å; L438-V498 HydrophobicContact CD1-CG2 4.39Å; L438-V589 HydrophobicContact CB-CB 4.48Å; L438-V589 WeakPolarHBondContact CB-O 3.45Å; L438-V589 HydrophobicContact CD1-CB 4.2Å; L438-V589 HydrophobicContact CD1-CG1 3.86Å; L438-V589 WeakPolarHBondContact CG-O 3.46Å; L438-V589 PolarHBondContact N-O 2.84Å
439	G	95	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	136.5	11	162.4	0	0	0	0	0	117	G443 L444 I445 E588	G439-G443 CarbonylContact O-C 3.49Å; G439-G443 PolarHBondContact O-N 2.8Å; G439-L444 PolarHBondContact O-N 2.85Å; G439-I445 PolarHBondContact O-N 3.33Å; G439-E588 PolarHBondContact N-OE1 3.42Å; G439-E588 PolarHBondContact N-OE2 3.05Å
440	M	96.8	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-48.6	171.8	-64.9	-69.7	-70.1	0	0	110.8	I445 I450 A465 R466 V490 L587 E588	M440-I445 HydrophobicContact CG-CD1 4.2Å; M440-I445 HydrophobicContact SD-CB 4.43Å; M440-I445 HydrophobicContact SD-CD1 4.35Å; M440-I445 HydrophobicContact SD-CG2 4.05Å; M440-I450 HydrophobicContact CE-CD1 3.7Å; M440-I450 HydrophobicContact CE-CG1 3.97Å; M440-I450 HydrophobicContact CE-CG2 4.26Å; M440-I450 HydrophobicContact SD-CD1 3.79Å; M440-I450 HydrophobicContact SD-CG1 3.83Å; M440-A465 HydrophobicContact CE-CB 4.37Å; M440-R466 WeakPolarHBondContact O-CB 3.16Å; M440-R466 VanDerWaalsContact O-CD 3.24Å; M440-R466 WeakPolarHBondContact O-CD 3.22Å; M440-R466 WeakPolarHBondContact O-CG 3.21Å; M440-R466 PolarHBondContact O-NH1 2.63Å; M440-V490 HydrophobicContact CE-CG2 4.01Å; M440-V490 HydrophobicContact CG-CG1 4.46Å; M440-V490 HydrophobicContact CG-CG2 4.38Å; M440-V490 HydrophobicContact SD-CB 4.42Å; M440-V490 HydrophobicContact SD-CG1 3.81Å; M440-V490 HydrophobicContact SD-CG2 3.68Å; M440-L587 WeakPolarHBondContact CB-O 3.25Å; M440-L587 WeakPolarHBondContact CG-O 3.27Å; M440-E588 HydrophobicContact CB-CB 4.28Å; M440-E588 WeakPolarHBondContact CB-OE1 3.47Å; M440-E588 WeakPolarHBondContact CG-OE1 3.37Å; M440-E588 VanDerWaalsContact N-CD 3.33Å; M440-E588 PolarHBondContact N-OE1 2.85Å; M440-E588 PolarHBondContact N-OE2 2.9Å
441	L	95.8	Very high	91.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-44.9	-179.6	178.6	151	0	0	0	111.6	G223 P224 T242 L336 M437 L467 V468 E588	G223-L441 WeakPolarHBondContact CA-O 3.21Å; P224-L441 HydrophobicContact CG-CD1 4.48Å; P224-L441 HydrophobicContact CG-CD2 3.92Å; P224-L441 HydrophobicContact CG-CG 4.02Å; T242-L441 HydrophobicContact CG2-CD2 4.37Å; L336-L441 HydrophobicContact CD2-CD1 4.32Å; M437-L441 HydrophobicContact SD-CD1 4.3Å; L441-L467 HydrophobicContact CB-CB 4.33Å; L441-L467 HydrophobicContact CD1-CD2 4Å; L441-L467 HydrophobicContact CD1-CG 4.17Å; L441-V468 HydrophobicContact CD1-CB 4.21Å; L441-V468 HydrophobicContact CD1-CG2 4.49Å; L441-E588 PolarHBondContact N-OE2 3.22Å
442	S	93.6	Very high	91.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.9	-170.6	65	0	0	0	0	115.1	G218 I219 L444	G218-S442 CarbonylContact C-O 3.57Å; G218-S442 WeakPolarHBondContact CA-O 3.17Å; I219-S442 PolarHBondContact N-O 3.18Å; S442-L444 VanDerWaalsContact C-N 3.34Å
443	G	88.4	Confident	92.1	Very high	5 Å²	5	30.6 Å²	30.6	5%	0.052	19%	0.192	C	C	.	.	S	Bend	trans	86.7	-8.1	-177.2	0	0	0	0	0	115.4	I219 G439 I445	I219-G443 WeakPolarHBondContact CD1-O 3.28Å; G439-G443 CarbonylContact O-C 3.49Å; G439-G443 PolarHBondContact O-N 2.8Å; G443-I445 CarbonylContact O-C 3.38Å; G443-I445 PolarHBondContact O-N 2.7Å
444	L	90	Very high	92.3	Very high	87 Å²	87	29 Å²	29	46%	0.455	18%	0.182	S	C	.	.			trans	-61.9	-23.3	179.4	-67	175.9	0	0	0	113.5	I244 G439 S442	I244-L444 HydrophobicContact CD1-CD2 4.06Å; I244-L444 HydrophobicContact CG2-CD1 3.88Å; I244-L444 HydrophobicContact CG2-CD2 4.39Å; I244-L444 HydrophobicContact CG2-CG 4.05Å; G439-L444 PolarHBondContact O-N 2.85Å; S442-L444 VanDerWaalsContact C-N 3.34Å
445	I	92.1	Very high	92	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	-91.8	114	163	-65.3	172	0	0	0	107.2	L438 G439 M440 G443 Q449 I450 R466 V490 L492	L438-I445 HydrophobicContact CB-CD1 4.35Å; G439-I445 PolarHBondContact O-N 3.33Å; M440-I445 HydrophobicContact CG-CD1 4.2Å; M440-I445 HydrophobicContact SD-CB 4.43Å; M440-I445 HydrophobicContact SD-CD1 4.35Å; M440-I445 HydrophobicContact SD-CG2 4.05Å; G443-I445 CarbonylContact O-C 3.38Å; G443-I445 PolarHBondContact O-N 2.7Å; I445-Q449 HydrophobicContact CG2-CB 3.7Å; I445-I450 HydrophobicContact CG2-CG1 4.14Å; I445-R466 VanDerWaalsContact O-CZ 3.29Å; I445-R466 PolarHBondContact O-NH1 2.62Å; I445-R466 PolarHBondContact O-NH2 3.18Å; I445-V490 HydrophobicContact CD1-CG1 3.76Å; I445-V490 HydrophobicContact CG2-CG1 4.1Å; I445-L492 HydrophobicContact CD1-CD2 3.8Å
446	A	83.4	Confident	91	Very high	39 Å²	39	35 Å²	35	32%	0.322	21%	0.21	S	C	.	.			trans	-72.5	159.2	-176.2	0	0	0	0	0	112.7	S448 Q449	A446-S448 PolarHBondContact O-N 3.35Å; A446-S448 VanDerWaalsContact O-N 3.14Å; A446-Q449 WeakPolarHBondContact O-CB 3.04Å; A446-Q449 PolarHBondContact O-N 2.89Å
447	D	84.9	Confident	89.7	Confident	45 Å²	45	38.4 Å²	38.4	24%	0.241	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.7	-29.9	179.3	-84.3	41	0	0	0	113.3	Q449 I450 P462 S463 R466	D447-Q449 PolarHBondContact O-N 2.79Å; D447-I450 PolarHBondContact O-N 3.39Å; D447-P462 HydrophobicContact CB-CB 3.89Å; D447-P462 HydrophobicContact CB-CG 4.04Å; D447-P462 WeakPolarHBondContact O-CB 3.44Å; D447-P462 WeakPolarHBondContact OD2-CD 3.4Å; D447-S463 VanDerWaalsContact CG-OG 3.26Å; D447-S463 PolarHBondContact OD1-OG 3.34Å; D447-S463 WeakPolarHBondContact OD2-CB 3.15Å; D447-S463 PolarHBondContact OD2-N 3.03Å; D447-S463 PolarHBondContact OD2-OG 3.47Å; D447-S463 VanDerWaalsContact OD2-OG 3.12Å; D447-R466 IonicContact OD1-CZ 2.71Å; D447-R466 IonicContact OD1-NE 3.74Å; D447-R466 IonicContact OD1-NH2 3.46Å; D447-R466 PolarHBondContact OD1-NH2 2.85Å
448	S	83.2	Confident	87.7	Confident	118 Å²	118	47.2 Å²	47.2	83%	0.825	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-68.6	-13.6	175	53.2	0	0	0	0	114.7	A446	A446-S448 PolarHBondContact O-N 3.35Å; A446-S448 VanDerWaalsContact O-N 3.14Å
449	Q	90.9	Very high	85.9	Confident	45 Å²	45	49.9 Å²	49.9	21%	0.21	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-95.4	-7.8	176.5	-67.5	168.1	-105.9	0	0	112.8	I445 A446 D447 D491	I445-Q449 HydrophobicContact CG2-CB 3.7Å; A446-Q449 WeakPolarHBondContact O-CB 3.04Å; A446-Q449 PolarHBondContact O-N 2.89Å; D447-Q449 PolarHBondContact O-N 2.79Å; Q449-D491 HydrophobicContact CB-CB 4.14Å; Q449-D491 WeakPolarHBondContact CB-O 3.42Å; Q449-D491 HydrophobicContact CG-CB 4.48Å; Q449-D491 PolarHBondContact NE2-O 3.43Å; Q449-D491 PolarHBondContact O-N 2.9Å
450	I	94.6	Very high	84.7	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.2	-178.3	-56.4	172	0	0	0	108.1	M440 I445 D447 W460 P462 A465 R466 L488	M440-I450 HydrophobicContact CE-CD1 3.7Å; M440-I450 HydrophobicContact CE-CG1 3.97Å; M440-I450 HydrophobicContact CE-CG2 4.26Å; M440-I450 HydrophobicContact SD-CD1 3.79Å; M440-I450 HydrophobicContact SD-CG1 3.83Å; I445-I450 HydrophobicContact CG2-CG1 4.14Å; D447-I450 PolarHBondContact O-N 3.39Å; I450-W460 HydrophobicContact CG2-CH2 4.18Å; I450-P462 HydrophobicContact CB-CB 3.91Å; I450-P462 HydrophobicContact CG2-CB 4.14Å; I450-A465 HydrophobicContact CG2-CB 3.97Å; I450-R466 HydrophobicContact CD1-CG 4.41Å; I450-L488 HydrophobicContact CG2-CD1 4.32Å
451	S	93.5	Very high	83.9	Confident	39 Å²	39	53.2 Å²	53.2	27%	0.273	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.7	-177	50.2	0	0	0	0	111.7	Q489	S451-Q489 PolarHBondContact N-O 3Å; S451-Q489 WeakPolarHBondContact O-CA 3.03Å; S451-Q489 PolarHBondContact O-N 3.02Å; S451-Q489 PolarHBondContact OG-NE2 2.72Å
452	A	95.2	Very high	83.5	Confident	23 Å²	23	54.4 Å²	54.4	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.7	-178.4	0	0	0	0	0	111.9	S454 W460 W474 W487 L488	A452-S454 VanDerWaalsContact C-N 3.34Å; A452-W460 HydrophobicContact CB-CH2 4.35Å; A452-W474 HydrophobicContact CB-CZ2 4.12Å; A452-W474 VanDerWaalsContact CB-NE1 3.32Å; A452-W487 CarbonylContact C-O 3.58Å; A452-W487 WeakPolarHBondContact CA-O 3.37Å; A452-L488 HydrophobicContact CB-CD1 4.26Å
453	S	94.7	Very high	83.1	Confident	42 Å²	42	55.7 Å²	55.7	29%	0.294	30%	0.304	S	S	.	.	S	Bend	trans	-58.3	-43.5	169.8	46.6	0	0	0	0	112.9	E486 W487	S453-E486 VanDerWaalsContact CB-OE2 3.3Å; S453-E486 WeakPolarHBondContact CB-OE2 3.44Å; S453-E486 VanDerWaalsContact OG-CA 3.28Å; S453-E486 WeakPolarHBondContact OG-CA 3.32Å; S453-E486 PolarHBondContact OG-OE2 3.25Å; S453-W487 PolarHBondContact N-O 2.73Å; S453-W487 PolarHBondContact OG-N 3.39Å; S453-W487 PolarHBondContact OG-O 2.85Å
454	S	91.8	Very high	83.1	Confident	25 Å²	25	55.9 Å²	55.9	18%	0.175	31%	0.305	C	S	.	.			trans	-159.6	166.4	-179.4	78.4	0	0	0	0	111.2	A452 W474 P476 R477 E486	A452-S454 VanDerWaalsContact C-N 3.34Å; S454-W474 PolarHBondContact O-NE1 3.28Å; S454-P476 WeakPolarHBondContact OG-CB 3.4Å; S454-R477 PolarHBondContact OG-N 3.39Å; S454-E486 WeakPolarHBondContact CB-OE2 3.34Å; S454-E486 VanDerWaalsContact OG-CD 3.25Å; S454-E486 PolarHBondContact OG-OE1 2.99Å; S454-E486 PolarHBondContact OG-OE2 2.8Å
455	T	86.2	Confident	83.4	Confident	44 Å²	44	51.7 Å²	51.7	27%	0.27	28%	0.284	S	S	.	.			trans	-138.6	144.5	-178.5	59.4	0	0	0	0	110.5	E457 W460 F475 R477	T455-E457 PolarHBondContact OG1-O 3.48Å; T455-E457 VanDerWaalsContact OG1-O 3.06Å; T455-W460 HydrophobicContact CG2-CB 3.74Å; T455-W460 HydrophobicContact CG2-CD2 3.41Å; T455-W460 VanDerWaalsContact CG2-CD2 3.41Å; T455-W460 HydrophobicContact CG2-CE3 3.62Å; T455-W460 HydrophobicContact CG2-CG 3.49Å; T455-W460 VanDerWaalsContact CG2-CG 3.49Å; T455-W460 HydrophobicContact CG2-CZ3 4.33Å; T455-F475 WeakPolarHBondContact CA-O 3.37Å; T455-R477 VanDerWaalsContact O-CA 3.25Å; T455-R477 WeakPolarHBondContact O-CA 3.1Å; T455-R477 VanDerWaalsContact O-CB 3.27Å; T455-R477 WeakPolarHBondContact O-CB 3.31Å
456	Q	74.1	Confident	83.5	Confident	114 Å²	114	51.7 Å²	51.7	53%	0.533	28%	0.283	S	S	.	.	S	Bend	trans	-70	-37.9	174.6	-175.3	173.7	-31.9	0	0	112.6	F475	Q456-F475 HydrophobicContact CB-CB 4.11Å; Q456-F475 PolarHBondContact N-O 3.25Å
457	E	67.3	Low	84.2	Confident	109 Å²	109	49.8 Å²	49.8	51%	0.509	27%	0.268	S	S	.	.	S	Bend	trans	-88.5	144.2	-179	-68.1	162.8	179.4	0	0	111.9	T455 L459 W460	T455-E457 PolarHBondContact OG1-O 3.48Å; T455-E457 VanDerWaalsContact OG1-O 3.06Å; E457-L459 VanDerWaalsContact C-N 3.25Å; E457-L459 PolarHBondContact O-N 2.85Å; E457-W460 HydrophobicContact CB-CB 4.3Å
458	Y	53.7	Low	84.6	Confident	211 Å²	211	48.5 Å²	48.5	83%	0.827	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	170.3	-73	-81.7	0	0	0	113
459	L	58.5	Low	84.8	Confident	88 Å²	88	44.2 Å²	44.2	46%	0.461	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	41.3	-178.9	-66.8	177.7	0	0	0	111.7	E56 E457 S461	E56-L459 WeakPolarHBondContact O-CD1 3.45Å; E457-L459 VanDerWaalsContact C-N 3.25Å; E457-L459 PolarHBondContact O-N 2.85Å; L459-S461 PolarHBondContact O-N 2.88Å
460	W	70.6	Confident	84.6	Confident	50 Å²	50	42.5 Å²	42.5	19%	0.189	22%	0.224	C	C	.	.			trans	-52.2	131	-176.9	173.1	65.7	0	0	0	113.5	I450 A452 T455 E457 P462 A465	I450-W460 HydrophobicContact CG2-CH2 4.18Å; A452-W460 HydrophobicContact CB-CH2 4.35Å; T455-W460 HydrophobicContact CG2-CB 3.74Å; T455-W460 HydrophobicContact CG2-CD2 3.41Å; T455-W460 VanDerWaalsContact CG2-CD2 3.41Å; T455-W460 HydrophobicContact CG2-CE3 3.62Å; T455-W460 HydrophobicContact CG2-CG 3.49Å; T455-W460 VanDerWaalsContact CG2-CG 3.49Å; T455-W460 HydrophobicContact CG2-CZ3 4.33Å; E457-W460 HydrophobicContact CB-CB 4.3Å; W460-P462 HydrophobicContact CE3-CG 4.08Å; W460-P462 HydrophobicContact CH2-CB 3.91Å; W460-P462 HydrophobicContact CH2-CG 4.3Å; W460-P462 HydrophobicContact CZ2-CB 4.37Å; W460-P462 HydrophobicContact CZ3-CB 3.98Å; W460-P462 HydrophobicContact CZ3-CG 3.84Å; W460-P462 WeakPolarHBondContact O-CD 3.22Å; W460-A465 HydrophobicContact CZ2-CB 4.49Å
461	S	80.6	Confident	84	Confident	20 Å²	20	50.2 Å²	50.2	14%	0.14	25%	0.253	C	S	.	.			trans	-86.8	115.6	172.1	177.5	0	0	0	0	110.4	R31 L459 S463 A464	R31-S461 PolarHBondContact NH1-OG 3.44Å; L459-S461 PolarHBondContact O-N 2.88Å; S461-S463 PolarHBondContact O-N 2.93Å; S461-A464 WeakPolarHBondContact O-CB 3.35Å; S461-A464 PolarHBondContact O-N 3.27Å
462	P	85.6	Confident	83.6	Confident	26 Å²	26	50.1 Å²	50.1	17%	0.169	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31.6	178.3	-21.8	32.6	0	0	0	113.4	D447 I450 W460 A464 A465	D447-P462 HydrophobicContact CB-CB 3.89Å; D447-P462 HydrophobicContact CB-CG 4.04Å; D447-P462 WeakPolarHBondContact O-CB 3.44Å; D447-P462 WeakPolarHBondContact OD2-CD 3.4Å; I450-P462 HydrophobicContact CB-CB 3.91Å; I450-P462 HydrophobicContact CG2-CB 4.14Å; W460-P462 HydrophobicContact CE3-CG 4.08Å; W460-P462 HydrophobicContact CH2-CB 3.91Å; W460-P462 HydrophobicContact CH2-CG 4.3Å; W460-P462 HydrophobicContact CZ2-CB 4.37Å; W460-P462 HydrophobicContact CZ3-CB 3.98Å; W460-P462 HydrophobicContact CZ3-CG 3.84Å; W460-P462 WeakPolarHBondContact O-CD 3.22Å; P462-A464 PolarHBondContact O-N 2.95Å; P462-A464 VanDerWaalsContact O-N 3.08Å; P462-A465 WeakPolarHBondContact O-CB 3.38Å; P462-A465 PolarHBondContact O-N 3Å
463	S	86.4	Confident	83.4	Confident	28 Å²	28	49.2 Å²	49.2	20%	0.196	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-54.3	-21.7	168.7	-88.2	0	0	0	0	114.4	D447 S461 A465 R466	D447-S463 VanDerWaalsContact CG-OG 3.26Å; D447-S463 PolarHBondContact OD1-OG 3.34Å; D447-S463 WeakPolarHBondContact OD2-CB 3.15Å; D447-S463 PolarHBondContact OD2-N 3.03Å; D447-S463 PolarHBondContact OD2-OG 3.47Å; D447-S463 VanDerWaalsContact OD2-OG 3.12Å; S461-S463 PolarHBondContact O-N 2.93Å; S463-A465 PolarHBondContact O-N 2.95Å; S463-A465 VanDerWaalsContact O-N 3.17Å; S463-R466 WeakPolarHBondContact O-CB 3.43Å; S463-R466 VanDerWaalsContact O-CG 3.3Å; S463-R466 WeakPolarHBondContact O-CG 3Å; S463-R466 PolarHBondContact O-N 2.85Å; S463-R466 PolarHBondContact OG-NE 2.9Å
464	A	88.4	Confident	83.3	Confident	9 Å²	9	47.2 Å²	47.2	7%	0.074	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18.5	173.4	0	0	0	0	0	113	S461 P462 S470 G473 W474	S461-A464 WeakPolarHBondContact O-CB 3.35Å; S461-A464 PolarHBondContact O-N 3.27Å; P462-A464 PolarHBondContact O-N 2.95Å; P462-A464 VanDerWaalsContact O-N 3.08Å; A464-S470 VanDerWaalsContact C-OG 3.27Å; A464-S470 WeakPolarHBondContact CA-OG 3.07Å; A464-S470 WeakPolarHBondContact O-CB 3.42Å; A464-S470 PolarHBondContact O-OG 3.18Å; A464-G473 CarbonylContact O-C 3.49Å; A464-G473 WeakPolarHBondContact O-CA 3.46Å; A464-G473 PolarHBondContact O-N 2.81Å; A464-W474 PolarHBondContact O-N 2.92Å
465	A	94.9	Very high	83.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-84.5	-5.6	177.6	0	0	0	0	0	114.7	M440 I450 W460 P462 S463 W474 L488 R586 L587	M440-A465 HydrophobicContact CE-CB 4.37Å; I450-A465 HydrophobicContact CG2-CB 3.97Å; W460-A465 HydrophobicContact CZ2-CB 4.49Å; P462-A465 WeakPolarHBondContact O-CB 3.38Å; P462-A465 PolarHBondContact O-N 3Å; S463-A465 PolarHBondContact O-N 2.95Å; S463-A465 VanDerWaalsContact O-N 3.17Å; A465-W474 HydrophobicContact CB-CB 4.14Å; A465-L488 HydrophobicContact CB-CD1 3.91Å; A465-L488 HydrophobicContact CB-CD2 3.95Å; A465-R586 CarbonylContact O-C 3.57Å; A465-R586 WeakPolarHBondContact O-CA 3Å; A465-L587 PolarHBondContact O-N 3.29Å
466	R	95.9	Very high	83.6	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.011	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-71.4	136.9	-173.6	-63.9	178.6	-178.2	-72.8	-2.9	112.9	M440 I445 D447 I450 S463 V468 S469 S470 R586	M440-R466 WeakPolarHBondContact O-CB 3.16Å; M440-R466 VanDerWaalsContact O-CD 3.24Å; M440-R466 WeakPolarHBondContact O-CD 3.22Å; M440-R466 WeakPolarHBondContact O-CG 3.21Å; M440-R466 PolarHBondContact O-NH1 2.63Å; I445-R466 VanDerWaalsContact O-CZ 3.29Å; I445-R466 PolarHBondContact O-NH1 2.62Å; I445-R466 PolarHBondContact O-NH2 3.18Å; D447-R466 IonicContact OD1-CZ 2.71Å; D447-R466 IonicContact OD1-NE 3.74Å; D447-R466 IonicContact OD1-NH2 3.46Å; D447-R466 PolarHBondContact OD1-NH2 2.85Å; I450-R466 HydrophobicContact CD1-CG 4.41Å; S463-R466 WeakPolarHBondContact O-CB 3.43Å; S463-R466 VanDerWaalsContact O-CG 3.3Å; S463-R466 WeakPolarHBondContact O-CG 3Å; S463-R466 PolarHBondContact O-N 2.85Å; S463-R466 PolarHBondContact OG-NE 2.9Å; R466-V468 PolarHBondContact O-N 3.14Å; R466-S469 WeakPolarHBondContact CB-OG 3.49Å; R466-S470 VanDerWaalsContact O-CB 3.23Å; R466-S470 WeakPolarHBondContact O-CB 3.35Å; R466-R586 WeakPolarHBondContact O-CB 3.27Å; R466-R586 WeakPolarHBondContact O-CD 3.49Å; R466-R586 WeakPolarHBondContact O-CG 3.18Å
467	L	97.3	Very high	84.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	129.1	170.7	176.6	69.6	0	0	0	111.2	L336 L441 S469 I502 Q504 P558 L587 E588	L336-L467 HydrophobicContact CD2-CD2 3.96Å; L441-L467 HydrophobicContact CB-CB 4.33Å; L441-L467 HydrophobicContact CD1-CD2 4Å; L441-L467 HydrophobicContact CD1-CG 4.17Å; L467-S469 PolarHBondContact O-N 2.78Å; L467-I502 HydrophobicContact CD1-CG2 3.81Å; L467-I502 HydrophobicContact CD2-CB 4Å; L467-I502 HydrophobicContact CD2-CD1 4.02Å; L467-I502 HydrophobicContact CD2-CG2 3.79Å; L467-I502 HydrophobicContact CG-CG2 4.49Å; L467-Q504 HydrophobicContact CD1-CB 3.81Å; L467-Q504 HydrophobicContact CD1-CG 4.41Å; L467-P558 HydrophobicContact CD1-CB 3.98Å; L467-L587 PolarHBondContact N-O 3.4Å; L467-E588 HydrophobicContact CB-CB 3.77Å; L467-E588 HydrophobicContact CD2-CB 3.47Å; L467-E588 VanDerWaalsContact CD2-CB 3.47Å; L467-E588 HydrophobicContact CD2-CG 4.2Å; L467-E588 HydrophobicContact CG-CB 4.21Å
468	V	93.6	Very high	85.3	Confident	17 Å²	17	48.5 Å²	48.5	10%	0.103	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-51.6	176.9	177.2	0	0	0	0	116.1	P224 L336 T367 L441 R466 S470	P224-V468 HydrophobicContact CB-CG1 4.5Å; P224-V468 HydrophobicContact CG-CG1 4.08Å; L336-V468 HydrophobicContact CD1-CG2 4.18Å; L336-V468 HydrophobicContact CD2-CG2 4.14Å; T367-V468 HydrophobicContact CG2-CG2 3.88Å; L441-V468 HydrophobicContact CD1-CB 4.21Å; L441-V468 HydrophobicContact CD1-CG2 4.49Å; R466-V468 PolarHBondContact O-N 3.14Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 2.86Å
469	S	86.4	Confident	86.8	Confident	29 Å²	29	39.9 Å²	39.9	20%	0.203	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.8	-175.1	61.6	0	0	0	0	113.6	V222 R466 L467 R471	V222-S469 WeakPolarHBondContact O-CB 3.43Å; V222-S469 PolarHBondContact O-OG 3.22Å; R466-S469 WeakPolarHBondContact CB-OG 3.49Å; L467-S469 PolarHBondContact O-N 2.78Å; S469-R471 PolarHBondContact O-N 3.4Å
470	S	87.3	Confident	88.3	Confident	8 Å²	8	40.6 Å²	40.6	6%	0.056	20%	0.197	C	C	.	.			trans	-66.1	125.4	172.5	170	0	0	0	0	111.9	A464 R466 V468 S472 G473 R586	A464-S470 VanDerWaalsContact C-OG 3.27Å; A464-S470 WeakPolarHBondContact CA-OG 3.07Å; A464-S470 WeakPolarHBondContact O-CB 3.42Å; A464-S470 PolarHBondContact O-OG 3.18Å; R466-S470 VanDerWaalsContact O-CB 3.23Å; R466-S470 WeakPolarHBondContact O-CB 3.35Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 2.86Å; S470-S472 PolarHBondContact O-N 2.86Å; S470-S472 PolarHBondContact OG-N 3.02Å; S470-G473 PolarHBondContact OG-N 3.21Å; S470-R586 PolarHBondContact O-NH1 3.04Å
471	R	82.7	Confident	89.3	Confident	170 Å²	170	39 Å²	39	64%	0.642	19%	0.194	S	C	*	.	S	Bend	trans	-72	-11.1	174	-66.2	-69.6	177.4	170.8	-3	114.2	E370 S469	E370-R471 IonicContact OE1-CZ 3.89Å; E370-R471 IonicContact OE1-NH1 3.69Å; E370-R471 PolarHBondContact OE1-NH1 3.17Å; E370-R471 IonicContact OE1-NH2 3.1Å; E370-R471 IonicContact OE2-NH1 3.67Å; S469-R471 PolarHBondContact O-N 3.4Å
472	S	85.6	Confident	90	Very high	37 Å²	37	43.8 Å²	43.8	26%	0.259	21%	0.214	S	C	.	.	S	Bend	trans	-132.1	-94.2	-179	59.5	0	0	0	0	112.7	S470 A506 R507	S470-S472 PolarHBondContact O-N 2.86Å; S470-S472 PolarHBondContact OG-N 3.02Å; S472-A506 CarbonylContact O-C 3.54Å; S472-A506 WeakPolarHBondContact O-CA 3.1Å; S472-A506 WeakPolarHBondContact O-CB 3.37Å; S472-R507 VanDerWaalsContact CA-O 3.24Å; S472-R507 WeakPolarHBondContact CA-O 3.2Å; S472-R507 WeakPolarHBondContact CB-O 3.42Å; S472-R507 PolarHBondContact O-N 2.8Å
473	G	89.9	Confident	90.4	Very high	4 Å²	4	46.4 Å²	46.4	4%	0.041	23%	0.231	C	C	.	.			trans	156	166	-176.7	0	0	0	0	0	112.7	A464 S470 F475	A464-G473 CarbonylContact O-C 3.49Å; A464-G473 WeakPolarHBondContact O-CA 3.46Å; A464-G473 PolarHBondContact O-N 2.81Å; S470-G473 PolarHBondContact OG-N 3.21Å; G473-F475 WeakPolarHBondContact O-CD2 3.3Å
474	W	93.7	Very high	90.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-75.4	129.1	163.3	167.1	65.4	0	0	0	110.2	A452 S454 A464 A465 P476 E486 L488 P575 I583 G584 M585	A452-W474 HydrophobicContact CB-CZ2 4.12Å; A452-W474 VanDerWaalsContact CB-NE1 3.32Å; S454-W474 PolarHBondContact O-NE1 3.28Å; A464-W474 PolarHBondContact O-N 2.92Å; A465-W474 HydrophobicContact CB-CB 4.14Å; W474-P476 HydrophobicContact CZ2-CB 3.91Å; W474-P476 HydrophobicContact CZ2-CG 4.43Å; W474-E486 HydrophobicContact CH2-CB 4.07Å; W474-E486 HydrophobicContact CZ2-CB 4.39Å; W474-L488 HydrophobicContact CB-CD1 4.34Å; W474-L488 HydrophobicContact CD2-CB 4.31Å; W474-L488 HydrophobicContact CD2-CD1 4.22Å; W474-L488 HydrophobicContact CE3-CB 3.9Å; W474-L488 HydrophobicContact CG-CD1 4.12Å; W474-L488 HydrophobicContact CH2-CB 4.44Å; W474-L488 HydrophobicContact CZ3-CB 3.97Å; W474-P575 HydrophobicContact CH2-CG 4.42Å; W474-P575 HydrophobicContact CZ3-CG 4.12Å; W474-I583 HydrophobicContact CE3-CG2 4.5Å; W474-I583 HydrophobicContact CH2-CG2 4.44Å; W474-I583 HydrophobicContact CZ3-CG2 4.02Å; W474-G584 WeakPolarHBondContact O-CA 3.42Å; W474-M585 HydrophobicContact CE3-CB 4.09Å; W474-M585 HydrophobicContact CE3-CE 3.95Å; W474-M585 HydrophobicContact CZ3-CE 3.89Å; W474-M585 PolarHBondContact N-O 3.42Å; W474-M585 PolarHBondContact O-N 3.31Å
475	F	91.9	Very high	90.9	Very high	35 Å²	35	51 Å²	51	15%	0.154	25%	0.254	C	S	.	.			trans	-122.9	126.5	169.8	-64.9	-96.6	0	0	0	108.7	T455 Q456 G473 A506 A519 I583	T455-F475 WeakPolarHBondContact CA-O 3.37Å; Q456-F475 HydrophobicContact CB-CB 4.11Å; Q456-F475 PolarHBondContact N-O 3.25Å; G473-F475 WeakPolarHBondContact O-CD2 3.3Å; F475-A506 HydrophobicContact CE1-CB 4.23Å; F475-A506 HydrophobicContact CE2-CB 3.79Å; F475-A506 HydrophobicContact CZ-CB 3.53Å; F475-A519 HydrophobicContact CD1-CB 4.43Å; F475-A519 HydrophobicContact CE1-CB 3.64Å; F475-A519 HydrophobicContact CZ-CB 4.39Å; F475-I583 WeakPolarHBondContact CD1-O 3.36Å
476	P	92.2	Very high	91	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.			trans	-68.7	164.7	173.3	29.4	-33.5	0	0	0	111.1	S454 W474 I478 E486 I583	S454-P476 WeakPolarHBondContact OG-CB 3.4Å; W474-P476 HydrophobicContact CZ2-CB 3.91Å; W474-P476 HydrophobicContact CZ2-CG 4.43Å; P476-I478 PolarHBondContact O-N 2.83Å; P476-E486 HydrophobicContact CB-CB 4.29Å; P476-E486 HydrophobicContact CB-CG 3.78Å; P476-E486 WeakPolarHBondContact CB-OE2 3.23Å; P476-E486 HydrophobicContact CG-CG 4.21Å; P476-I583 HydrophobicContact CG-CB 3.83Å; P476-I583 HydrophobicContact CG-CD1 4.05Å; P476-I583 HydrophobicContact CG-CG2 3.92Å
477	R	88	Confident	91.1	Very high	174 Å²	174	54.7 Å²	54.7	66%	0.657	27%	0.27	S	S	*	.	S	Bend	trans	-55.5	-31.9	-174.3	-171.6	177.6	-179.6	-161.4	1	113.8	S454 T455	S454-R477 PolarHBondContact OG-N 3.39Å; T455-R477 VanDerWaalsContact O-CA 3.25Å; T455-R477 WeakPolarHBondContact O-CA 3.1Å; T455-R477 VanDerWaalsContact O-CB 3.27Å; T455-R477 WeakPolarHBondContact O-CB 3.31Å
478	I	87.7	Confident	91.1	Very high	110 Å²	110	54.7 Å²	54.7	56%	0.564	27%	0.27	S	S	*	.	S	Bend	trans	-124.2	105.5	169.8	-58.8	176.9	0	0	0	106.2	P476 Q480 A481	P476-I478 PolarHBondContact O-N 2.83Å; I478-Q480 PolarHBondContact O-N 2.82Å; I478-A481 PolarHBondContact O-N 2.86Å; I478-A481 VanDerWaalsContact O-N 3.14Å
479	P	85.8	Confident	91.4	Very high	30 Å²	30	55 Å²	55	20%	0.195	27%	0.27	C	S	.	.	S	Bend	trans	-58.2	-18.6	-179.8	-29.7	37.1	0	0	0	114.6	G582 I583	P479-G582 CarbonylContact O-C 3.58Å; P479-G582 WeakPolarHBondContact O-CA 3.42Å; P479-I583 PolarHBondContact O-N 2.88Å
480	Q	90.3	Very high	91.9	Very high	103 Å²	103	53.6 Å²	53.6	48%	0.481	26%	0.26	S	S	.	.	S	Bend	trans	-104.5	57.4	171.9	-55.2	-66.1	-7.3	0	0	111	I478 P580	I478-Q480 PolarHBondContact O-N 2.82Å; Q480-P580 PolarHBondContact NE2-O 2.78Å
481	A	91.9	Very high	92.4	Very high	16 Å²	16	54.7 Å²	54.7	13%	0.132	27%	0.265	C	S	.	.			trans	-73.2	178.6	177.4	0	0	0	0	0	112.8	I478 E486 W578 I583	I478-A481 PolarHBondContact O-N 2.86Å; I478-A481 VanDerWaalsContact O-N 3.14Å; A481-E486 HydrophobicContact CB-CG 3.36Å; A481-W578 VanDerWaalsContact O-CH2 3.24Å; A481-W578 WeakPolarHBondContact O-CH2 3.3Å; A481-W578 WeakPolarHBondContact O-CZ2 3.21Å; A481-I583 HydrophobicContact CB-CD1 4.14Å
482	Q	94.3	Very high	93.1	Very high	120 Å²	120	47.2 Å²	47.2	56%	0.561	24%	0.238	S	C	*	.			trans	-82	144.5	171.5	-53.2	-178.6	87.6	0	0	110.8	G484 E485	Q482-G484 PolarHBondContact O-N 2.85Å; Q482-E485 HydrophobicContact CB-CG 4.03Å; Q482-E485 VanDerWaalsContact CB-OE2 3.3Å; Q482-E485 WeakPolarHBondContact CB-OE2 3.47Å; Q482-E485 WeakPolarHBondContact CG-OE2 3.43Å; Q482-E485 PolarHBondContact NE2-OE1 3.37Å; Q482-E485 PolarHBondContact NE2-OE2 2.95Å; Q482-E485 PolarHBondContact O-N 3.06Å
483	P	95.2	Very high	93.5	Very high	81 Å²	81	47.4 Å²	47.4	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	126.5	178	-28.4	36.7	0	0	0	112.7	E485 W578	P483-E485 VanDerWaalsContact C-N 3.34Å; P483-E485 PolarHBondContact O-N 2.8Å; P483-W578 HydrophobicContact CG-CH2 4.02Å; P483-W578 HydrophobicContact CG-CZ3 4.43Å
484	G	89.3	Confident	93.7	Very high	23 Å²	23	50.4 Å²	50.4	24%	0.237	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	0.2	176.6	0	0	0	0	0	116.7	Q482 Y574 P575	Q482-G484 PolarHBondContact O-N 2.85Å; G484-Y574 WeakPolarHBondContact O-CD1 3.42Å; G484-P575 PolarHBondContact N-O 2.84Å
485	E	94.7	Very high	93.8	Very high	111 Å²	111	52.7 Å²	52.7	52%	0.519	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-45.6	170.7	-71.1	-169.5	142.4	0	0	112	Q482 P483	Q482-E485 HydrophobicContact CB-CG 4.03Å; Q482-E485 VanDerWaalsContact CB-OE2 3.3Å; Q482-E485 WeakPolarHBondContact CB-OE2 3.47Å; Q482-E485 WeakPolarHBondContact CG-OE2 3.43Å; Q482-E485 PolarHBondContact NE2-OE1 3.37Å; Q482-E485 PolarHBondContact NE2-OE2 2.95Å; Q482-E485 PolarHBondContact O-N 3.06Å; P483-E485 VanDerWaalsContact C-N 3.34Å; P483-E485 PolarHBondContact O-N 2.8Å
486	E	97.4	Very high	94	Very high	28 Å²	28	52.8 Å²	52.8	13%	0.131	28%	0.279	C	S	.	.			trans	-82.4	149	-179	-57.4	-68	162.5	0	0	112.1	S453 S454 W474 P476 A481 P575 I583	S453-E486 VanDerWaalsContact CB-OE2 3.3Å; S453-E486 WeakPolarHBondContact CB-OE2 3.44Å; S453-E486 VanDerWaalsContact OG-CA 3.28Å; S453-E486 WeakPolarHBondContact OG-CA 3.32Å; S453-E486 PolarHBondContact OG-OE2 3.25Å; S454-E486 WeakPolarHBondContact CB-OE2 3.34Å; S454-E486 VanDerWaalsContact OG-CD 3.25Å; S454-E486 PolarHBondContact OG-OE1 2.99Å; S454-E486 PolarHBondContact OG-OE2 2.8Å; W474-E486 HydrophobicContact CH2-CB 4.07Å; W474-E486 HydrophobicContact CZ2-CB 4.39Å; P476-E486 HydrophobicContact CB-CB 4.29Å; P476-E486 HydrophobicContact CB-CG 3.78Å; P476-E486 WeakPolarHBondContact CB-OE2 3.23Å; P476-E486 HydrophobicContact CG-CG 4.21Å; A481-E486 HydrophobicContact CB-CG 3.36Å; E486-P575 VanDerWaalsContact O-CD 3.26Å; E486-P575 WeakPolarHBondContact O-CD 3.33Å; E486-I583 HydrophobicContact CB-CD1 4.42Å; E486-I583 HydrophobicContact CG-CD1 4.45Å
487	W	97.9	Very high	94.2	Very high	53 Å²	53	54 Å²	54	20%	0.201	29%	0.286	C	S	.	.			trans	-151.1	148.1	176.9	49.5	-91.9	0	0	0	112.5	A452 S453 Q489 R572 V573 Y574	A452-W487 CarbonylContact C-O 3.58Å; A452-W487 WeakPolarHBondContact CA-O 3.37Å; S453-W487 PolarHBondContact N-O 2.73Å; S453-W487 PolarHBondContact OG-N 3.39Å; S453-W487 PolarHBondContact OG-O 2.85Å; W487-Q489 HydrophobicContact CE3-CB 3.69Å; W487-Q489 HydrophobicContact CZ3-CB 3.54Å; W487-R572 HydrophobicContact CD2-CG 4.46Å; W487-R572 HydrophobicContact CE3-CG 4.12Å; W487-V573 VanDerWaalsContact CA-O 3.31Å; W487-V573 WeakPolarHBondContact CA-O 3.41Å; W487-Y574 HydrophobicContact CB-CD1 3.83Å; W487-Y574 HydrophobicContact CB-CD2 4.26Å; W487-Y574 HydrophobicContact CB-CE1 3.68Å; W487-Y574 HydrophobicContact CB-CE2 4.1Å; W487-Y574 HydrophobicContact CB-CG 4.13Å; W487-Y574 AromaticContact CD1-CE1 3.54Å; W487-Y574 AromaticContact CD1-CZ 3.92Å; W487-Y574 HydrophobicContact CG-CD1 4.47Å; W487-Y574 AromaticContact CG-CE1 3.88Å; W487-Y574 HydrophobicContact CG-CE1 3.88Å; W487-Y574 AromaticContact CG-CZ 3.97Å
488	L	98.1	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.1	162.2	-176.5	70.9	0	0	0	108.6	I450 A452 A465 W474 R572 V573 M585 L587	I450-L488 HydrophobicContact CG2-CD1 4.32Å; A452-L488 HydrophobicContact CB-CD1 4.26Å; A465-L488 HydrophobicContact CB-CD1 3.91Å; A465-L488 HydrophobicContact CB-CD2 3.95Å; W474-L488 HydrophobicContact CB-CD1 4.34Å; W474-L488 HydrophobicContact CD2-CB 4.31Å; W474-L488 HydrophobicContact CD2-CD1 4.22Å; W474-L488 HydrophobicContact CE3-CB 3.9Å; W474-L488 HydrophobicContact CG-CD1 4.12Å; W474-L488 HydrophobicContact CH2-CB 4.44Å; W474-L488 HydrophobicContact CZ3-CB 3.97Å; L488-R572 VanDerWaalsContact O-CA 3.25Å; L488-R572 WeakPolarHBondContact O-CA 3.2Å; L488-V573 PolarHBondContact N-O 2.97Å; L488-V573 VanDerWaalsContact N-O 3.1Å; L488-V573 PolarHBondContact O-N 2.93Å; L488-M585 HydrophobicContact CB-CE 3.55Å; L488-M585 HydrophobicContact CD2-CE 3.68Å; L488-M585 HydrophobicContact CG-CE 4.27Å; L488-L587 HydrophobicContact CD2-CB 3.89Å; L488-L587 HydrophobicContact CD2-CD2 3.93Å
489	Q	98.3	Very high	95.2	Very high	22 Å²	22	43.2 Å²	43.2	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.6	-179.3	177.9	-179.9	-53.1	0	0	111.3	S451 W487 W535 V571 R572	S451-Q489 PolarHBondContact N-O 3Å; S451-Q489 WeakPolarHBondContact O-CA 3.03Å; S451-Q489 PolarHBondContact O-N 3.02Å; S451-Q489 PolarHBondContact OG-NE2 2.72Å; W487-Q489 HydrophobicContact CE3-CB 3.69Å; W487-Q489 HydrophobicContact CZ3-CB 3.54Å; Q489-W535 HydrophobicContact CG-CH2 4.19Å; Q489-V571 WeakPolarHBondContact CA-O 3.28Å; Q489-R572 HydrophobicContact CB-CG 3.68Å; Q489-R572 HydrophobicContact CG-CG 3.99Å; Q489-R572 VanDerWaalsContact OE1-CZ 3.25Å
490	V	98.5	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.6	170.7	-176.3	0	0	0	0	109	M440 I445 L492 Y570 V571 L587 V589	M440-V490 HydrophobicContact CE-CG2 4.01Å; M440-V490 HydrophobicContact CG-CG1 4.46Å; M440-V490 HydrophobicContact CG-CG2 4.38Å; M440-V490 HydrophobicContact SD-CB 4.42Å; M440-V490 HydrophobicContact SD-CG1 3.81Å; M440-V490 HydrophobicContact SD-CG2 3.68Å; I445-V490 HydrophobicContact CD1-CG1 3.76Å; I445-V490 HydrophobicContact CG2-CG1 4.1Å; V490-L492 HydrophobicContact CG1-CD2 3.99Å; V490-Y570 WeakPolarHBondContact O-CA 3.21Å; V490-V571 PolarHBondContact N-O 2.79Å; V490-V571 PolarHBondContact O-N 3.19Å; V490-L587 HydrophobicContact CG2-CD2 4.21Å; V490-V589 HydrophobicContact CB-CG2 4.18Å; V490-V589 HydrophobicContact CG1-CG2 4.22Å; V490-V589 HydrophobicContact CG2-CG2 4.14Å
491	D	97.9	Very high	96.1	Very high	31 Å²	31	36.9 Å²	36.9	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.1	166	-174.2	-12.2	0	0	0	109.3	Q449 G493 Q569 Y570	Q449-D491 HydrophobicContact CB-CB 4.14Å; Q449-D491 WeakPolarHBondContact CB-O 3.42Å; Q449-D491 HydrophobicContact CG-CB 4.48Å; Q449-D491 PolarHBondContact NE2-O 3.43Å; Q449-D491 PolarHBondContact O-N 2.9Å; D491-G493 PolarHBondContact O-N 3.33Å; D491-G493 WeakPolarHBondContact OD1-CA 3.4Å; D491-G493 PolarHBondContact OD1-N 2.76Å; D491-Q569 VanDerWaalsContact OD1-CG 3.31Å; D491-Q569 WeakPolarHBondContact OD1-CG 3.38Å; D491-Q569 PolarHBondContact OD1-NE2 2.8Å; D491-Y570 HydrophobicContact CB-CD1 3.86Å; D491-Y570 HydrophobicContact CB-CE1 3.54Å; D491-Y570 VanDerWaalsContact CG-CZ 3.49Å; D491-Y570 WeakPolarHBondContact OD2-CE1 3.16Å; D491-Y570 PolarHBondContact OD2-OH 3.39Å
492	L	96.5	Very high	96.4	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	0.9	179.9	-56.9	173.3	0	0	0	112.8	L438 I445 V490 T494 K496 V498 Q569 V571 V589	L438-L492 HydrophobicContact CB-CD2 4.05Å; L438-L492 HydrophobicContact CD1-CD1 3.87Å; L438-L492 HydrophobicContact CD1-CD2 3.82Å; L438-L492 HydrophobicContact CD1-CG 4.48Å; I445-L492 HydrophobicContact CD1-CD2 3.8Å; V490-L492 HydrophobicContact CG1-CD2 3.99Å; L492-T494 PolarHBondContact O-N 2.61Å; L492-K496 HydrophobicContact CB-CG 4.09Å; L492-K496 HydrophobicContact CD1-CB 3.96Å; L492-K496 HydrophobicContact CD1-CG 3.93Å; L492-V498 HydrophobicContact CD1-CG2 3.59Å; L492-Q569 VanDerWaalsContact CB-O 3.29Å; L492-Q569 WeakPolarHBondContact CB-O 3.43Å; L492-Q569 VanDerWaalsContact CG-O 3.28Å; L492-Q569 WeakPolarHBondContact CG-O 3.17Å; L492-Q569 PolarHBondContact N-O 2.85Å; L492-V571 HydrophobicContact CD1-CG2 4.33Å; L492-V589 HydrophobicContact CD2-CB 4.3Å; L492-V589 HydrophobicContact CD2-CG1 4.39Å; L492-V589 HydrophobicContact CD2-CG2 4.49Å
493	G	93.6	Very high	96.6	Very high	41 Å²	41	30.4 Å²	30.4	42%	0.423	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70	-20.9	178	0	0	0	0	0	115	D491	D491-G493 PolarHBondContact O-N 3.33Å; D491-G493 WeakPolarHBondContact OD1-CA 3.4Å; D491-G493 PolarHBondContact OD1-N 2.76Å
494	T	93.8	Very high	96.8	Very high	67 Å²	67	26.5 Å²	26.5	41%	0.411	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.2	176.7	49.2	0	0	0	0	109.3	L492 K496	L492-T494 PolarHBondContact O-N 2.61Å; T494-K496 PolarHBondContact O-N 2.92Å; T494-K496 WeakPolarHBondContact OG1-CE 3.26Å; T494-K496 PolarHBondContact OG1-NZ 3.02Å
495	P	96.2	Very high	97.1	Very high	49 Å²	49	25.4 Å²	25.4	32%	0.318	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	128.5	170.6	-24.7	35.3	0	0	0	112.1	L530 W594	P495-L530 HydrophobicContact CB-CD2 4.05Å; P495-L530 HydrophobicContact CG-CD2 4.4Å; P495-W594 HydrophobicContact CB-CD2 4.49Å; P495-W594 HydrophobicContact CB-CE3 3.89Å; P495-W594 WeakPolarHBondContact O-CB 3.49Å
496	K	96.5	Very high	96.8	Very high	37 Å²	37	20.1 Å²	20.1	16%	0.161	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158.5	176.4	-59.4	-55.8	-171.9	-161.7	0	110.5	L438 L492 T494 V498 A568 C592 D593	L438-K496 HydrophobicContact CD1-CB 4.39Å; L438-K496 HydrophobicContact CD1-CG 4.35Å; L492-K496 HydrophobicContact CB-CG 4.09Å; L492-K496 HydrophobicContact CD1-CB 3.96Å; L492-K496 HydrophobicContact CD1-CG 3.93Å; T494-K496 PolarHBondContact O-N 2.92Å; T494-K496 WeakPolarHBondContact OG1-CE 3.26Å; T494-K496 PolarHBondContact OG1-NZ 3.02Å; K496-V498 HydrophobicContact CB-CG2 4.3Å; K496-V498 PolarHBondContact O-N 3.08Å; K496-A568 PolarHBondContact N-O 2.72Å; K496-A568 PolarHBondContact O-N 2.87Å; K496-C592 WeakPolarHBondContact CB-O 3.38Å; K496-D593 IonicContact NZ-OD1 3.8Å; K496-D593 PolarHBondContact NZ-OD1 3.45Å
497	T	97.4	Very high	96	Very high	24 Å²	24	21.3 Å²	21.3	15%	0.147	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.8	162.1	-57.2	0	0	0	0	107.8	P565 G591 C592	T497-P565 HydrophobicContact CG2-CB 3.69Å; T497-G591 CarbonylContact O-C 3.57Å; T497-G591 WeakPolarHBondContact O-CA 3.4Å; T497-C592 PolarHBondContact N-O 3.19Å; T497-C592 PolarHBondContact O-N 3.37Å
498	V	97.9	Very high	94.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.4	179.5	-179.6	0	0	0	0	109.6	L438 L492 K496 F563 P565 I566 A568 V571 V589	L438-V498 HydrophobicContact CD1-CG2 4.39Å; L492-V498 HydrophobicContact CD1-CG2 3.59Å; K496-V498 HydrophobicContact CB-CG2 4.3Å; K496-V498 PolarHBondContact O-N 3.08Å; V498-F563 HydrophobicContact CG1-CE2 3.92Å; V498-F563 HydrophobicContact CG1-CZ 3.89Å; V498-P565 WeakPolarHBondContact O-CA 3.39Å; V498-I566 HydrophobicContact CB-CG1 4.22Å; V498-I566 PolarHBondContact N-O 3.46Å; V498-I566 VanDerWaalsContact O-CG1 3.31Å; V498-I566 WeakPolarHBondContact O-CG1 3.11Å; V498-I566 PolarHBondContact O-N 3.2Å; V498-A568 HydrophobicContact CG2-CB 4.01Å; V498-V571 HydrophobicContact CG1-CG2 4.28Å; V498-V571 HydrophobicContact CG2-CG2 4.1Å; V498-V589 HydrophobicContact CG1-CG1 3.58Å; V498-V589 HydrophobicContact CG2-CG1 4.19Å
499	K	96.9	Very high	92.3	Very high	58 Å²	58	23 Å²	23	25%	0.252	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-4	-172.2	-162.2	171.9	179.1	178.2	0	113.4	P433 C434 R562 F563 L590	P433-K499 PolarHBondContact O-NZ 2.89Å; C434-K499 HydrophobicContact CB-CD 4.02Å; C434-K499 WeakPolarHBondContact O-CD 3.29Å; K499-R562 VanDerWaalsContact O-CA 3.32Å; K499-R562 WeakPolarHBondContact O-CA 3.41Å; K499-F563 PolarHBondContact O-N 2.72Å; K499-L590 PolarHBondContact N-O 2.84Å
500	G	97.7	Very high	89.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-179.2	174.9	0	0	0	0	0	114	R561 L590	G500-R561 CarbonylContact C-O 3.56Å; G500-R561 WeakPolarHBondContact CA-O 3.42Å; G500-L590 PolarHBondContact N-O 3.46Å; G500-L590 PolarHBondContact O-N 3.23Å
501	V	98.5	Very high	86.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.1	166.2	-66	0	0	0	0	109.9	F524 R561 F563 L587 E588	V501-F524 HydrophobicContact CG2-CE2 3.93Å; V501-F524 HydrophobicContact CG2-CZ 3.93Å; V501-R561 HydrophobicContact CG2-CB 4.4Å; V501-R561 PolarHBondContact N-O 2.74Å; V501-R561 PolarHBondContact O-N 3.05Å; V501-F563 HydrophobicContact CG1-CE1 4.46Å; V501-L587 HydrophobicContact CB-CD1 4.14Å; V501-E588 CarbonylContact C-O 3.14Å; V501-E588 WeakPolarHBondContact CA-O 3.29Å
502	I	98.6	Very high	84.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.2	164.6	-57.9	168	0	0	0	106.7	L403 V429 L467 P558 D559 I560 L587 E588 L590	L403-I502 HydrophobicContact CD2-CD1 3.94Å; L403-I502 HydrophobicContact CD2-CG1 4.31Å; L403-I502 HydrophobicContact CD2-CG2 3.75Å; V429-I502 HydrophobicContact CG1-CD1 4.28Å; L467-I502 HydrophobicContact CD1-CG2 3.81Å; L467-I502 HydrophobicContact CD2-CB 4Å; L467-I502 HydrophobicContact CD2-CD1 4.02Å; L467-I502 HydrophobicContact CD2-CG2 3.79Å; L467-I502 HydrophobicContact CG-CG2 4.49Å; I502-P558 HydrophobicContact CG2-CB 3.68Å; I502-D559 WeakPolarHBondContact CA-O 3.47Å; I502-I560 HydrophobicContact CG1-CB 4.4Å; I502-I560 HydrophobicContact CG1-CG1 4.22Å; I502-L587 WeakPolarHBondContact O-CA 3.26Å; I502-E588 HydrophobicContact CB-CB 4.35Å; I502-E588 PolarHBondContact N-O 3.38Å; I502-E588 PolarHBondContact O-N 3.48Å; I502-L590 HydrophobicContact CD1-CD1 4.1Å; I502-L590 HydrophobicContact CD1-CD2 3.86Å; I502-L590 HydrophobicContact CD1-CG 4.21Å; I502-L590 HydrophobicContact CG1-CD1 3.8Å; I502-L590 HydrophobicContact CG1-CD2 4.27Å; I502-L590 HydrophobicContact CG1-CG 4.06Å
503	I	98.3	Very high	81.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.6	178.9	-166.6	171.8	0	0	0	109.9	V521 F524 N552 P558 D559 M585 L587	I503-V521 HydrophobicContact CD1-CB 3.95Å; I503-V521 HydrophobicContact CD1-CG1 4.04Å; I503-F524 HydrophobicContact CB-CE1 4.43Å; I503-F524 HydrophobicContact CD1-CD1 3.6Å; I503-F524 HydrophobicContact CD1-CE1 3.7Å; I503-F524 HydrophobicContact CD1-CG 4.19Å; I503-F524 HydrophobicContact CD1-CZ 4.33Å; I503-F524 HydrophobicContact CG2-CE1 3.95Å; I503-F524 HydrophobicContact CG2-CZ 4.4Å; I503-N552 PolarHBondContact O-ND2 2.9Å; I503-N552 PolarHBondContact O-OD1 3.24Å; I503-P558 CarbonylContact O-C 3.42Å; I503-P558 WeakPolarHBondContact O-CA 3.24Å; I503-D559 HydrophobicContact CG2-CB 4.01Å; I503-D559 PolarHBondContact N-O 2.87Å; I503-D559 PolarHBondContact O-N 2.97Å; I503-M585 HydrophobicContact CD1-CG 4.16Å; I503-M585 HydrophobicContact CD1-SD 3.64Å; I503-M585 HydrophobicContact CG1-CG 3.86Å; I503-M585 HydrophobicContact CG1-SD 3.94Å; I503-L587 HydrophobicContact CB-CD1 4.49Å
504	Q	97.9	Very high	79.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.6	178.4	-170.8	-174.2	32.1	0	0	108.6	T367 L467 N552 D556 P558 M585 R586	T367-Q504 PolarHBondContact OG1-NE2 2.74Å; L467-Q504 HydrophobicContact CD1-CB 3.81Å; L467-Q504 HydrophobicContact CD1-CG 4.41Å; Q504-N552 VanDerWaalsContact C-OD1 3.29Å; Q504-N552 WeakPolarHBondContact CA-OD1 3.28Å; Q504-N552 PolarHBondContact N-OD1 2.92Å; Q504-D556 VanDerWaalsContact CG-O 3.23Å; Q504-D556 WeakPolarHBondContact CG-O 3.36Å; Q504-D556 PolarHBondContact NE2-O 2.63Å; Q504-P558 HydrophobicContact CB-CB 4.1Å; Q504-P558 HydrophobicContact CG-CB 4.24Å; Q504-M585 CarbonylContact O-C 3.57Å; Q504-M585 WeakPolarHBondContact O-CA 3.34Å; Q504-R586 HydrophobicContact CB-CB 4.02Å; Q504-R586 VanDerWaalsContact CD-CZ 3.43Å; Q504-R586 VanDerWaalsContact CD-NH2 3.3Å; Q504-R586 PolarHBondContact N-O 3.27Å; Q504-R586 PolarHBondContact O-N 3.15Å; Q504-R586 VanDerWaalsContact OE1-CZ 3.31Å
505	G	95.5	Very high	77.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.266	C	S	.	.			trans	-77.6	-170.6	172.4	0	0	0	0	0	113.4	N552 Y555 R586	G505-N552 PolarHBondContact N-OD1 2.85Å; G505-Y555 CarbonylContact C-O 3.44Å; G505-Y555 WeakPolarHBondContact CA-O 3.48Å; G505-Y555 PolarHBondContact N-O 3.12Å; G505-Y555 VanDerWaalsContact N-O 3.17Å; G505-R586 PolarHBondContact O-NE 3.43Å; G505-R586 PolarHBondContact O-NH2 2.88Å
506	A	89.6	Confident	75.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.4	-176.5	0	0	0	0	0	113.1	S472 F475 A519	S472-A506 CarbonylContact O-C 3.54Å; S472-A506 WeakPolarHBondContact O-CA 3.1Å; S472-A506 WeakPolarHBondContact O-CB 3.37Å; F475-A506 HydrophobicContact CE1-CB 4.23Å; F475-A506 HydrophobicContact CE2-CB 3.79Å; F475-A506 HydrophobicContact CZ-CB 3.53Å; A506-A519 PolarHBondContact N-O 2.93Å; A506-A519 PolarHBondContact O-N 2.95Å
507	R	80.1	Confident	74.1	Confident	53 Å²	53	48.8 Å²	48.8	20%	0.2	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.9	172	177.9	168.2	163.2	-170.5	-13.2	108.7	E370 D371 S472	E370-R507 IonicContact OE2-CZ 2.71Å; E370-R507 IonicContact OE2-NH1 3.13Å; E370-R507 PolarHBondContact OE2-NH1 3.39Å; E370-R507 IonicContact OE2-NH2 2.78Å; D371-R507 IonicContact OD1-CZ 3.88Å; D371-R507 IonicContact OD1-NE 2.69Å; D371-R507 IonicContact OD1-NH1 2.92Å; D371-R507 PolarHBondContact OD1-NH1 3.2Å; D371-R507 IonicContact OD2-CZ 3.51Å; D371-R507 IonicContact OD2-NH1 2.69Å; D371-R507 PolarHBondContact OD2-NH1 3.03Å; S472-R507 VanDerWaalsContact CA-O 3.24Å; S472-R507 WeakPolarHBondContact CA-O 3.2Å; S472-R507 WeakPolarHBondContact CB-O 3.42Å; S472-R507 PolarHBondContact O-N 2.8Å
508	G	63.3	Low	73.6	Confident	22 Å²	22	52 Å²	52	23%	0.227	30%	0.301	C	S	.	.			trans	-71.9	151	166.2	0	0	0	0	0	110.9	A517	G508-A517 WeakPolarHBondContact CA-O 3.5Å; G508-A517 PolarHBondContact N-O 2.92Å
509	G	55.2	Low	73.3	Confident	67 Å²	67	52.1 Å²	52.1	69%	0.691	30%	0.302	S	S	*	.	S	Bend	trans	-64.5	137.3	-171.6	0	0	0	0	0	114.9	S511	G509-S511 PolarHBondContact O-N 2.84Å
510	D	44	Very low	73.3	Confident	129 Å²	129	51 Å²	51	69%	0.69	30%	0.297	S	S	*	.	S	Bend	trans	41.9	-6.7	159.1	-70.5	10.7	0	0	0	122.8	I512	D510-I512 VanDerWaalsContact C-N 3.29Å; D510-I512 PolarHBondContact O-N 2.89Å
511	S	38.8	Very low	73.3	Confident	67 Å²	67	51 Å²	51	47%	0.469	30%	0.297	S	S	.	.			trans	-86.6	69.6	168	-148	0	0	0	0	110.9	G509 T513 A514	G509-S511 PolarHBondContact O-N 2.84Å; S511-T513 PolarHBondContact O-N 3.17Å; S511-A514 PolarHBondContact O-N 3.43Å
512	I	45.6	Very low	73.2	Confident	123 Å²	123	56.7 Å²	56.7	63%	0.631	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.9	-177.3	-68.2	173.2	0	0	0	113.3	D510	D510-I512 VanDerWaalsContact C-N 3.29Å; D510-I512 PolarHBondContact O-N 2.89Å
513	T	44.3	Very low	73.2	Confident	132 Å²	132	58.6 Å²	58.6	81%	0.81	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.1	-178.9	47	0	0	0	0	114.9	S511	S511-T513 PolarHBondContact O-N 3.17Å
514	A	48.5	Very low	73.2	Confident	29 Å²	29	58.6 Å²	58.6	24%	0.24	33%	0.327	C	S	.	.			trans	-98.1	115	-175	0	0	0	0	0	112.8	S511 E516 A517	S511-A514 PolarHBondContact O-N 3.43Å; A514-E516 PolarHBondContact O-N 3.46Å; A514-A517 HydrophobicContact CB-CB 4.46Å; A514-A517 PolarHBondContact O-N 3.45Å
515	V	51.1	Low	73.2	Confident	123 Å²	123	61 Å²	61	75%	0.745	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.6	170.5	179.6	0	0	0	0	111.5	A517 R518	V515-A517 VanDerWaalsContact C-N 3.25Å; V515-A517 PolarHBondContact O-N 2.73Å; V515-R518 PolarHBondContact O-N 3.1Å
516	E	51.1	Low	73.4	Confident	169 Å²	169	61 Å²	61	79%	0.79	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-70.8	-13.2	-179.4	-67.2	159.7	-176.3	0	0	113.7	A514 A581	A514-E516 PolarHBondContact O-N 3.46Å; E516-A581 WeakPolarHBondContact O-CB 3.22Å
517	A	66.3	Low	73.8	Confident	28 Å²	28	61 Å²	61	23%	0.231	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-88.8	4.2	177.5	0	0	0	0	0	114.4	G508 A514 V515	G508-A517 WeakPolarHBondContact CA-O 3.5Å; G508-A517 PolarHBondContact N-O 2.92Å; A514-A517 HydrophobicContact CB-CB 4.46Å; A514-A517 PolarHBondContact O-N 3.45Å; V515-A517 VanDerWaalsContact C-N 3.25Å; V515-A517 PolarHBondContact O-N 2.73Å
518	R	86.8	Confident	74.6	Confident	92 Å²	92	60.4 Å²	60.4	35%	0.347	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	87	-172	-69.9	174.6	173.6	175	-0.9	111.8	V515 Y555 S579	V515-R518 PolarHBondContact O-N 3.1Å; R518-Y555 HydrophobicContact CB-CD1 4.18Å; R518-Y555 HydrophobicContact CB-CG 4.12Å; R518-Y555 HydrophobicContact CG-CD1 4.17Å; R518-Y555 HydrophobicContact CG-CD2 4.24Å; R518-Y555 HydrophobicContact CG-CE1 4.35Å; R518-Y555 HydrophobicContact CG-CE2 4.39Å; R518-Y555 HydrophobicContact CG-CG 4.14Å; R518-Y555 PolarHBondContact NH2-OH 3.19Å; R518-S579 PolarHBondContact O-OG 2.81Å
519	A	91.9	Very high	76.3	Confident	2 Å²	2	59.6 Å²	59.6	2%	0.017	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142.1	-177.4	0	0	0	0	0	112.4	F475 A506 S579 A581	F475-A519 HydrophobicContact CD1-CB 4.43Å; F475-A519 HydrophobicContact CE1-CB 3.64Å; F475-A519 HydrophobicContact CZ-CB 4.39Å; A506-A519 PolarHBondContact N-O 2.93Å; A506-A519 PolarHBondContact O-N 2.95Å; A519-S579 WeakPolarHBondContact CA-OG 3.39Å; A519-A581 HydrophobicContact CB-CB 4.08Å
520	F	96	Very high	78.3	Confident	35 Å²	35	60.7 Å²	60.7	15%	0.154	32%	0.316	C	S	.	.			trans	-156.3	145	170.9	58.7	-85.9	0	0	0	112.2	R522 N552 W578 S579 G584	F520-R522 HydrophobicContact CD2-CG 3.83Å; F520-R522 HydrophobicContact CE2-CG 3.64Å; F520-N552 HydrophobicContact CB-CB 4.44Å; F520-N552 HydrophobicContact CD2-CB 4.18Å; F520-N552 WeakPolarHBondContact CD2-O 3.37Å; F520-N552 WeakPolarHBondContact CE2-O 3.24Å; F520-W578 CarbonylContact O-C 3.49Å; F520-W578 VanDerWaalsContact O-CA 3.26Å; F520-W578 WeakPolarHBondContact O-CA 3.25Å; F520-W578 WeakPolarHBondContact O-CB 3.4Å; F520-S579 PolarHBondContact N-OG 3.44Å; F520-S579 PolarHBondContact O-N 2.92Å; F520-G584 WeakPolarHBondContact CA-O 3.3Å
521	V	97.7	Very high	80.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	130	174.5	178.9	0	0	0	0	109.5	I503 K523 F524 G551 N552 P575 I583 M585	I503-V521 HydrophobicContact CD1-CB 3.95Å; I503-V521 HydrophobicContact CD1-CG1 4.04Å; V521-K523 WeakPolarHBondContact CG1-O 3.35Å; V521-F524 HydrophobicContact CG1-CB 4.06Å; V521-F524 HydrophobicContact CG1-CD1 4.47Å; V521-G551 CarbonylContact O-C 3.3Å; V521-G551 WeakPolarHBondContact O-CA 3.38Å; V521-N552 PolarHBondContact O-N 2.89Å; V521-P575 HydrophobicContact CG1-CB 4.16Å; V521-P575 HydrophobicContact CG2-CB 4.08Å; V521-P575 HydrophobicContact CG2-CG 4.09Å; V521-I583 HydrophobicContact CG2-CG2 4.25Å; V521-M585 HydrophobicContact CB-SD 4.48Å; V521-M585 HydrophobicContact CG2-CB 4.15Å; V521-M585 HydrophobicContact CG2-CG 4.22Å; V521-M585 HydrophobicContact CG2-SD 3.88Å
522	R	96.8	Very high	83.2	Confident	119 Å²	119	56 Å²	56	45%	0.449	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-25.2	-177.8	-69.3	-171.3	65.6	-147.6	-3.8	114	F520 G551 R577 W578	F520-R522 HydrophobicContact CD2-CG 3.83Å; F520-R522 HydrophobicContact CE2-CG 3.64Å; R522-G551 VanDerWaalsContact C-N 3.35Å; R522-G551 PolarHBondContact O-N 3.24Å; R522-R577 WeakPolarHBondContact CA-O 3.3Å; R522-R577 HydrophobicContact CB-CB 4.38Å; R522-R577 PolarHBondContact N-O 2.86Å; R522-W578 WeakPolarHBondContact CD-O 3.21Å
523	K	97.9	Very high	85.5	Confident	40 Å²	40	58.4 Å²	58.4	17%	0.174	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.9	169.2	-70.9	-171.8	169.5	-73.9	0	109.9	V521 L548 F549 E550 E576 R577	V521-K523 WeakPolarHBondContact CG1-O 3.35Å; K523-L548 HydrophobicContact CB-CD1 3.98Å; K523-L548 HydrophobicContact CB-CG 4.3Å; K523-L548 HydrophobicContact CD-CD1 4.49Å; K523-L548 HydrophobicContact CD-CD2 3.84Å; K523-L548 HydrophobicContact CD-CG 4.03Å; K523-F549 VanDerWaalsContact CA-O 3.23Å; K523-F549 WeakPolarHBondContact CA-O 3.38Å; K523-E550 VanDerWaalsContact CE-OE2 3.29Å; K523-E550 WeakPolarHBondContact CE-OE2 3.37Å; K523-E550 IonicContact NZ-OE1 3.92Å; K523-E550 PolarHBondContact NZ-OE1 2.73Å; K523-E550 IonicContact NZ-OE2 2.79Å; K523-E550 PolarHBondContact NZ-OE2 2.64Å; K523-E576 HydrophobicContact CB-CB 4.38Å; K523-E576 PolarHBondContact O-N 3.03Å; K523-R577 HydrophobicContact CB-CB 4.11Å; K523-R577 HydrophobicContact CB-CG 4.35Å; K523-R577 PolarHBondContact N-O 3.14Å; K523-R577 PolarHBondContact O-N 3.03Å; K523-R577 VanDerWaalsContact O-N 3.14Å
524	F	98.5	Very high	88	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.7	-178.9	65.3	-85.4	0	0	0	113.1	V501 I503 V521 V526 L548 F549 E550 R561 V573 Y574	V501-F524 HydrophobicContact CG2-CE2 3.93Å; V501-F524 HydrophobicContact CG2-CZ 3.93Å; I503-F524 HydrophobicContact CB-CE1 4.43Å; I503-F524 HydrophobicContact CD1-CD1 3.6Å; I503-F524 HydrophobicContact CD1-CE1 3.7Å; I503-F524 HydrophobicContact CD1-CG 4.19Å; I503-F524 HydrophobicContact CD1-CZ 4.33Å; I503-F524 HydrophobicContact CG2-CE1 3.95Å; I503-F524 HydrophobicContact CG2-CZ 4.4Å; V521-F524 HydrophobicContact CG1-CB 4.06Å; V521-F524 HydrophobicContact CG1-CD1 4.47Å; F524-V526 HydrophobicContact CD2-CG2 3.8Å; F524-V526 HydrophobicContact CE2-CG2 3.53Å; F524-L548 CarbonylContact O-C 3.6Å; F524-F549 HydrophobicContact CD1-CB 4.03Å; F524-F549 HydrophobicContact CD2-CB 4.08Å; F524-F549 HydrophobicContact CD2-CD2 4.31Å; F524-F549 HydrophobicContact CD2-CG 4.47Å; F524-F549 HydrophobicContact CE1-CB 3.7Å; F524-F549 HydrophobicContact CE2-CB 3.77Å; F524-F549 HydrophobicContact CE2-CD2 4.07Å; F524-F549 AromaticContact CE2-CG 3.98Å; F524-F549 HydrophobicContact CE2-CG 3.98Å; F524-F549 HydrophobicContact CG-CB 4.23Å; F524-F549 HydrophobicContact CZ-CB 3.58Å; F524-F549 HydrophobicContact CZ-CG 4.1Å; F524-F549 PolarHBondContact N-O 3.14Å; F524-F549 PolarHBondContact O-N 2.92Å; F524-E550 VanDerWaalsContact CE1-O 3.32Å; F524-E550 WeakPolarHBondContact CE1-O 3.2Å; F524-R561 HydrophobicContact CE1-CG 4.23Å; F524-R561 HydrophobicContact CZ-CB 4.14Å; F524-R561 HydrophobicContact CZ-CG 3.95Å; F524-V573 HydrophobicContact CB-CG1 4.03Å; F524-V573 HydrophobicContact CD2-CG1 3.71Å; F524-V573 HydrophobicContact CE2-CG1 4.37Å; F524-V573 HydrophobicContact CG-CG1 4.02Å; F524-Y574 CarbonylContact C-O 3.6Å; F524-Y574 WeakPolarHBondContact CA-O 3.48Å; F524-Y574 VanDerWaalsContact CB-O 3.3Å; F524-Y574 WeakPolarHBondContact CB-O 3.12Å
525	K	98.4	Very high	90.4	Very high	50 Å²	50	59 Å²	59	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	158.1	166.1	-68.3	162.4	-174	155.7	0	109.7	Y537 P546 L548 Y574 E576	K525-Y537 HydrophobicContact CB-CD1 4.17Å; K525-Y537 HydrophobicContact CB-CE1 4.12Å; K525-P546 HydrophobicContact CD-CB 3.95Å; K525-P546 HydrophobicContact CG-CB 4.24Å; K525-L548 HydrophobicContact CG-CD1 4.41Å; K525-Y574 PolarHBondContact N-O 2.74Å; K525-Y574 PolarHBondContact O-N 2.76Å; K525-E576 HydrophobicContact CD-CG 4.08Å; K525-E576 WeakPolarHBondContact CD-OE1 3.13Å; K525-E576 VanDerWaalsContact CE-OE1 3.27Å; K525-E576 WeakPolarHBondContact CE-OE1 3.15Å; K525-E576 VanDerWaalsContact CE-OE2 3.29Å; K525-E576 WeakPolarHBondContact CE-OE2 3.49Å; K525-E576 HydrophobicContact CG-CG 4.07Å; K525-E576 IonicContact NZ-OE1 3.57Å; K525-E576 PolarHBondContact NZ-OE1 3.36Å; K525-E576 IonicContact NZ-OE2 3.45Å; K525-E576 PolarHBondContact NZ-OE2 2.81Å
526	V	98.6	Very high	92.6	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.5	174.6	-177.7	0	0	0	0	109.4	F524 Y537 I538 F549 F563 V571 R572	F524-V526 HydrophobicContact CD2-CG2 3.8Å; F524-V526 HydrophobicContact CE2-CG2 3.53Å; V526-Y537 WeakPolarHBondContact O-CA 3.46Å; V526-Y537 WeakPolarHBondContact O-CD1 3.21Å; V526-I538 HydrophobicContact CB-CD1 3.85Å; V526-I538 HydrophobicContact CB-CG1 4.2Å; V526-I538 HydrophobicContact CG1-CD1 3.72Å; V526-I538 HydrophobicContact CG1-CG1 4.24Å; V526-I538 PolarHBondContact O-N 3.43Å; V526-F549 HydrophobicContact CB-CE2 4.12Å; V526-F549 HydrophobicContact CG2-CD2 3.98Å; V526-F549 HydrophobicContact CG2-CE2 3.77Å; V526-F549 HydrophobicContact CG2-CZ 4.46Å; V526-F563 HydrophobicContact CG1-CE1 4.46Å; V526-F563 HydrophobicContact CG2-CE1 4.48Å; V526-V571 HydrophobicContact CG1-CG1 4.06Å; V526-R572 WeakPolarHBondContact CA-O 3.17Å
527	S	98.2	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.4	164.6	75.5	0	0	0	0	111.5	E536 R572 Y574	S527-E536 CarbonylContact C-O 3.46Å; S527-E536 WeakPolarHBondContact CA-O 3.4Å; S527-E536 WeakPolarHBondContact CB-O 3.39Å; S527-R572 PolarHBondContact N-O 2.89Å; S527-R572 PolarHBondContact O-N 3.35Å; S527-Y574 WeakPolarHBondContact OG-CE2 3.16Å
528	Y	98.4	Very high	96.3	Very high	40 Å²	40	53.6 Å²	53.6	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161	-176.4	59.3	-84.7	0	0	0	111.7	W535 E536 I538 I566 Y570	Y528-W535 WeakPolarHBondContact O-CA 3.38Å; Y528-E536 WeakPolarHBondContact CD1-O 3.36Å; Y528-E536 HydrophobicContact CE1-CB 3.98Å; Y528-E536 WeakPolarHBondContact CE1-O 3.32Å; Y528-E536 HydrophobicContact CE2-CB 3.97Å; Y528-E536 PolarHBondContact N-O 2.87Å; Y528-E536 PolarHBondContact O-N 2.5Å; Y528-E536 PolarHBondContact OH-OE2 3.21Å; Y528-I538 HydrophobicContact CD1-CG1 3.96Å; Y528-I538 HydrophobicContact CE1-CG1 3.99Å; Y528-I566 HydrophobicContact CD1-CD1 3.43Å; Y528-I566 VanDerWaalsContact CD1-CD1 3.43Å; Y528-I566 HydrophobicContact CD2-CD1 4.27Å; Y528-I566 HydrophobicContact CE1-CD1 3.98Å; Y528-I566 HydrophobicContact CE1-CG2 4.18Å; Y528-I566 HydrophobicContact CE2-CB 4.46Å; Y528-I566 HydrophobicContact CE2-CG2 4.49Å; Y528-I566 HydrophobicContact CG-CD1 3.61Å; Y528-Y570 CarbonylContact C-O 3.58Å; Y528-Y570 VanDerWaalsContact CA-O 3.27Å; Y528-Y570 WeakPolarHBondContact CA-O 3.3Å
529	S	98.1	Very high	96.7	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	153.1	175.4	-174.4	0	0	0	0	111.5	N531 G532 D534 Q569 Y570	S529-N531 PolarHBondContact OG-N 2.74Å; S529-N531 VanDerWaalsContact OG-N 3.11Å; S529-N531 PolarHBondContact OG-OD1 3.03Å; S529-G532 PolarHBondContact OG-N 2.03Å; S529-D534 WeakPolarHBondContact CB-O 3.28Å; S529-D534 PolarHBondContact OG-O 2.75Å; S529-Q569 PolarHBondContact O-N 3.27Å; S529-Y570 PolarHBondContact N-O 2.68Å; S529-Y570 PolarHBondContact O-N 2.95Å
530	L	96.4	Very high	96.8	Very high	90 Å²	90	55.4 Å²	55.4	47%	0.471	26%	0.259	S	S	.	.	S	Bend	trans	-95.8	-11.6	167.8	-70.8	169	0	0	0	112.9	P495	P495-L530 HydrophobicContact CB-CD2 4.05Å; P495-L530 HydrophobicContact CG-CD2 4.4Å
531	N	93.8	Very high	96.5	Very high	78 Å²	78	58.8 Å²	58.8	42%	0.417	29%	0.285	S	S	.	.	S	Bend	trans	-133.4	1.5	-173.1	70.7	15.7	0	0	0	114.8	S529 K533 D534	S529-N531 PolarHBondContact OG-N 2.74Å; S529-N531 VanDerWaalsContact OG-N 3.11Å; S529-N531 PolarHBondContact OG-OD1 3.03Å; N531-K533 PolarHBondContact O-N 2.91Å; N531-K533 PolarHBondContact OD1-N 2.86Å; N531-D534 PolarHBondContact ND2-OD2 3.25Å; N531-D534 PolarHBondContact OD1-N 2.79Å
532	G	93	Very high	96.3	Very high	21 Å²	21	70 Å²	70	22%	0.216	33%	0.327	C	S	.	.	S	Bend	trans	73.3	1.8	179	0	0	0	0	0	115.1	S529 W535 Y570	S529-G532 PolarHBondContact OG-N 2.03Å; G532-W535 PolarHBondContact O-NE1 2.75Å; G532-Y570 VanDerWaalsContact N-CD2 3.35Å
533	K	94.3	Very high	96.1	Very high	172 Å²	172	68.1 Å²	68.1	75%	0.748	33%	0.329	S	S	*	.	S	Bend	trans	-120.3	-46	-172.9	-65	176.3	-176.1	174.1	0	112.8	N531	N531-K533 PolarHBondContact O-N 2.91Å; N531-K533 PolarHBondContact OD1-N 2.86Å
534	D	96.6	Very high	95.9	Very high	114 Å²	114	74.4 Å²	74.4	61%	0.61	36%	0.359	S	S	*	.	S	Bend	trans	-95.2	118.9	177.1	-54.2	-52.4	0	0	0	108	S529 N531	S529-D534 WeakPolarHBondContact CB-O 3.28Å; S529-D534 PolarHBondContact OG-O 2.75Å; N531-D534 PolarHBondContact ND2-OD2 3.25Å; N531-D534 PolarHBondContact OD1-N 2.79Å
535	W	97.8	Very high	95.6	Very high	60 Å²	60	80.6 Å²	80.6	23%	0.227	39%	0.388	C	S	.	.			trans	-121.2	121.4	-168.8	-69.4	90.3	0	0	0	111.8	Q489 Y528 G532 Y570 R572	Q489-W535 HydrophobicContact CG-CH2 4.19Å; Y528-W535 WeakPolarHBondContact O-CA 3.38Å; G532-W535 PolarHBondContact O-NE1 2.75Å; W535-Y570 HydrophobicContact CH2-CG 4.46Å; W535-R572 HydrophobicContact CE3-CG 4.38Å; W535-R572 HydrophobicContact CH2-CB 4.48Å; W535-R572 HydrophobicContact CH2-CG 3.63Å; W535-R572 HydrophobicContact CZ2-CG 4.47Å; W535-R572 HydrophobicContact CZ3-CB 3.95Å; W535-R572 HydrophobicContact CZ3-CG 3.59Å
536	E	97.6	Very high	95.5	Very high	120 Å²	120	80.3 Å²	80.3	56%	0.561	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.9	176	-65.4	-170.8	158.5	0	0	110.3	S527 Y528	S527-E536 CarbonylContact C-O 3.46Å; S527-E536 WeakPolarHBondContact CA-O 3.4Å; S527-E536 WeakPolarHBondContact CB-O 3.39Å; Y528-E536 WeakPolarHBondContact CD1-O 3.36Å; Y528-E536 HydrophobicContact CE1-CB 3.98Å; Y528-E536 WeakPolarHBondContact CE1-O 3.32Å; Y528-E536 HydrophobicContact CE2-CB 3.97Å; Y528-E536 PolarHBondContact N-O 2.87Å; Y528-E536 PolarHBondContact O-N 2.5Å; Y528-E536 PolarHBondContact OH-OE2 3.21Å
537	Y	97.9	Very high	95.5	Very high	73 Å²	73	82.6 Å²	82.6	29%	0.286	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.7	171.2	-78.1	-83.6	0	0	0	110.5	K525 V526 Q539 P546 Y574	K525-Y537 HydrophobicContact CB-CD1 4.17Å; K525-Y537 HydrophobicContact CB-CE1 4.12Å; V526-Y537 WeakPolarHBondContact O-CA 3.46Å; V526-Y537 WeakPolarHBondContact O-CD1 3.21Å; Y537-Q539 PolarHBondContact O-N 3.07Å; Y537-Q539 PolarHBondContact O-NE2 3Å; Y537-P546 HydrophobicContact CD1-CB 4.06Å; Y537-P546 HydrophobicContact CD1-CG 4.46Å; Y537-P546 HydrophobicContact CD2-CG 4.3Å; Y537-P546 HydrophobicContact CG-CB 3.99Å; Y537-P546 HydrophobicContact CG-CG 3.96Å; Y537-Y574 AromaticContact CE1-CD2 3.94Å; Y537-Y574 HydrophobicContact CE1-CD2 3.94Å; Y537-Y574 HydrophobicContact CE1-CE2 4.14Å; Y537-Y574 HydrophobicContact CE1-CG 4.38Å
538	I	97.6	Very high	95.4	Very high	13 Å²	13	86 Å²	86	7%	0.067	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-62.6	121.2	167.6	-55.9	-174.5	0	0	0	107.8	V526 Y528 K547 F549 F563 I566	V526-I538 HydrophobicContact CB-CD1 3.85Å; V526-I538 HydrophobicContact CB-CG1 4.2Å; V526-I538 HydrophobicContact CG1-CD1 3.72Å; V526-I538 HydrophobicContact CG1-CG1 4.24Å; V526-I538 PolarHBondContact O-N 3.43Å; Y528-I538 HydrophobicContact CD1-CG1 3.96Å; Y528-I538 HydrophobicContact CE1-CG1 3.99Å; I538-K547 HydrophobicContact CG2-CB 4.45Å; I538-K547 HydrophobicContact CG2-CD 4.28Å; I538-K547 WeakPolarHBondContact O-CB 3.4Å; I538-K547 PolarHBondContact O-N 2.89Å; I538-F549 HydrophobicContact CD1-CZ 4.36Å; I538-F549 HydrophobicContact CG2-CZ 4.24Å; I538-F563 HydrophobicContact CD1-CB 4.29Å; I538-F563 HydrophobicContact CD1-CD1 3.68Å; I538-F563 HydrophobicContact CD1-CD2 3.59Å; I538-F563 HydrophobicContact CD1-CE1 3.76Å; I538-F563 HydrophobicContact CD1-CE2 3.67Å; I538-F563 HydrophobicContact CD1-CG 3.59Å; I538-F563 HydrophobicContact CD1-CZ 3.75Å; I538-F563 HydrophobicContact CG2-CB 4.49Å; I538-I566 HydrophobicContact CD1-CD1 3.88Å; I538-I566 HydrophobicContact CG1-CD1 4.19Å
539	Q	95.2	Very high	95.4	Very high	91 Å²	91	84.7 Å²	84.7	43%	0.425	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	154.2	-178.5	-58.2	-56.3	-53.2	0	0	111.8	Y537 Q545	Y537-Q539 PolarHBondContact O-N 3.07Å; Y537-Q539 PolarHBondContact O-NE2 3Å; Q539-Q545 PolarHBondContact OE1-O 2.91Å
540	D	93.4	Very high	95.3	Very high	41 Å²	41	89.4 Å²	89.4	22%	0.219	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117	161.4	-170.7	-43.2	0	0	0	109.2	R542 T543 Q544 Q545 K547	D540-R542 PolarHBondContact O-N 2.03Å; D540-R542 VanDerWaalsContact OD1-CB 3.28Å; D540-R542 WeakPolarHBondContact OD1-CB 3.47Å; D540-R542 PolarHBondContact OD1-N 2.8Å; D540-T543 PolarHBondContact O-N 3.24Å; D540-Q544 PolarHBondContact O-N 3.41Å; D540-Q545 PolarHBondContact N-O 3.02Å; D540-K547 HydrophobicContact CB-CB 4.16Å; D540-K547 HydrophobicContact CB-CG 4.16Å
541	P	91.1	Very high	95.3	Very high	107 Å²	107	85.3 Å²	85.3	70%	0.695	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.8	180	-26.6	35.4	0	0	0	114.9
542	R	93.4	Very high	95.4	Very high	234 Å²	234	81.6 Å²	81.6	88%	0.883	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-27.9	-178.5	-57.6	176.5	175.6	-176.2	-1.6	113.3	D540	D540-R542 PolarHBondContact O-N 2.03Å; D540-R542 VanDerWaalsContact OD1-CB 3.28Å; D540-R542 WeakPolarHBondContact OD1-CB 3.47Å; D540-R542 PolarHBondContact OD1-N 2.8Å
543	T	92.5	Very high	95.3	Very high	81 Å²	81	87.4 Å²	87.4	50%	0.497	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-13.9	-175.4	67.2	0	0	0	0	113.8	D540 Q545	D540-T543 PolarHBondContact O-N 3.24Å; T543-Q545 PolarHBondContact O-N 2.79Å; T543-Q545 PolarHBondContact OG1-N 3.2Å
544	Q	92.2	Very high	95.3	Very high	172 Å²	172	81 Å²	81	80%	0.804	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	34.4	-174.3	-56.9	-178.7	-11.1	0	0	112.6	D540	D540-Q544 PolarHBondContact O-N 3.41Å
545	Q	94.1	Very high	95.2	Very high	129 Å²	129	76.2 Å²	76.2	60%	0.603	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.5	178.2	-69.1	-174.2	12.7	0	0	110.9	Q539 D540 T543 K547	Q539-Q545 PolarHBondContact OE1-O 2.91Å; D540-Q545 PolarHBondContact N-O 3.02Å; T543-Q545 PolarHBondContact O-N 2.79Å; T543-Q545 PolarHBondContact OG1-N 3.2Å; Q545-K547 PolarHBondContact O-N 2.95Å
546	P	96.1	Very high	95	Very high	44 Å²	44	73.3 Å²	73.3	29%	0.286	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	121.7	172.7	-31.1	37.6	0	0	0	112.7	K525 Y537 L548	K525-P546 HydrophobicContact CD-CB 3.95Å; K525-P546 HydrophobicContact CG-CB 4.24Å; Y537-P546 HydrophobicContact CD1-CB 4.06Å; Y537-P546 HydrophobicContact CD1-CG 4.46Å; Y537-P546 HydrophobicContact CD2-CG 4.3Å; Y537-P546 HydrophobicContact CG-CB 3.99Å; Y537-P546 HydrophobicContact CG-CG 3.96Å; P546-L548 PolarHBondContact O-N 2.87Å
547	K	97.1	Very high	95	Very high	50 Å²	50	68 Å²	68	22%	0.217	33%	0.329	C	S	.	.			trans	-63	122.2	-173.5	-170.8	167.4	-179.1	176.1	0	110.9	I538 D540 Q545 F549	I538-K547 HydrophobicContact CG2-CB 4.45Å; I538-K547 HydrophobicContact CG2-CD 4.28Å; I538-K547 WeakPolarHBondContact O-CB 3.4Å; I538-K547 PolarHBondContact O-N 2.89Å; D540-K547 HydrophobicContact CB-CB 4.16Å; D540-K547 HydrophobicContact CB-CG 4.16Å; Q545-K547 PolarHBondContact O-N 2.95Å; K547-F549 HydrophobicContact CB-CD2 4.47Å; K547-F549 HydrophobicContact CB-CE2 3.93Å; K547-F549 HydrophobicContact CB-CZ 4.31Å; K547-F549 HydrophobicContact CD-CE1 4.07Å; K547-F549 HydrophobicContact CD-CE2 4.2Å; K547-F549 HydrophobicContact CD-CZ 3.73Å; K547-F549 HydrophobicContact CG-CD2 4.35Å; K547-F549 HydrophobicContact CG-CE1 4.4Å; K547-F549 HydrophobicContact CG-CE2 3.97Å; K547-F549 HydrophobicContact CG-CZ 4Å; K547-F549 VanDerWaalsContact O-CD2 3.31Å; K547-F549 WeakPolarHBondContact O-CD2 3.11Å; K547-F549 PolarHBondContact O-N 3.29Å
548	L	97.4	Very high	95	Very high	71 Å²	71	64.8 Å²	64.8	37%	0.372	32%	0.317	S	S	.	.			trans	-93.9	92	-178.9	-173.2	64.2	0	0	0	110	K523 F524 K525 P546 E576	K523-L548 HydrophobicContact CB-CD1 3.98Å; K523-L548 HydrophobicContact CB-CG 4.3Å; K523-L548 HydrophobicContact CD-CD1 4.49Å; K523-L548 HydrophobicContact CD-CD2 3.84Å; K523-L548 HydrophobicContact CD-CG 4.03Å; F524-L548 CarbonylContact O-C 3.6Å; K525-L548 HydrophobicContact CG-CD1 4.41Å; P546-L548 PolarHBondContact O-N 2.87Å; L548-E576 HydrophobicContact CD1-CB 3.69Å; L548-E576 HydrophobicContact CD1-CG 3.66Å
549	F	97.9	Very high	94.9	Very high	13 Å²	13	66.1 Å²	66.1	6%	0.057	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	146.2	178.5	-63.5	-93.4	0	0	0	111.2	K523 F524 V526 I538 K547 R561 F563	K523-F549 VanDerWaalsContact CA-O 3.23Å; K523-F549 WeakPolarHBondContact CA-O 3.38Å; F524-F549 HydrophobicContact CD1-CB 4.03Å; F524-F549 HydrophobicContact CD2-CB 4.08Å; F524-F549 HydrophobicContact CD2-CD2 4.31Å; F524-F549 HydrophobicContact CD2-CG 4.47Å; F524-F549 HydrophobicContact CE1-CB 3.7Å; F524-F549 HydrophobicContact CE2-CB 3.77Å; F524-F549 HydrophobicContact CE2-CD2 4.07Å; F524-F549 AromaticContact CE2-CG 3.98Å; F524-F549 HydrophobicContact CE2-CG 3.98Å; F524-F549 HydrophobicContact CG-CB 4.23Å; F524-F549 HydrophobicContact CZ-CB 3.58Å; F524-F549 HydrophobicContact CZ-CG 4.1Å; F524-F549 PolarHBondContact N-O 3.14Å; F524-F549 PolarHBondContact O-N 2.92Å; V526-F549 HydrophobicContact CB-CE2 4.12Å; V526-F549 HydrophobicContact CG2-CD2 3.98Å; V526-F549 HydrophobicContact CG2-CE2 3.77Å; V526-F549 HydrophobicContact CG2-CZ 4.46Å; I538-F549 HydrophobicContact CD1-CZ 4.36Å; I538-F549 HydrophobicContact CG2-CZ 4.24Å; K547-F549 HydrophobicContact CB-CD2 4.47Å; K547-F549 HydrophobicContact CB-CE2 3.93Å; K547-F549 HydrophobicContact CB-CZ 4.31Å; K547-F549 HydrophobicContact CD-CE1 4.07Å; K547-F549 HydrophobicContact CD-CE2 4.2Å; K547-F549 HydrophobicContact CD-CZ 3.73Å; K547-F549 HydrophobicContact CG-CD2 4.35Å; K547-F549 HydrophobicContact CG-CE1 4.4Å; K547-F549 HydrophobicContact CG-CE2 3.97Å; K547-F549 HydrophobicContact CG-CZ 4Å; K547-F549 VanDerWaalsContact O-CD2 3.31Å; K547-F549 WeakPolarHBondContact O-CD2 3.11Å; K547-F549 PolarHBondContact O-N 3.29Å; F549-R561 HydrophobicContact CD1-CB 4.16Å; F549-F563 HydrophobicContact CE1-CB 4.24Å; F549-F563 AromaticContact CE1-CD1 3.86Å; F549-F563 HydrophobicContact CE1-CD1 3.86Å; F549-F563 HydrophobicContact CZ-CB 4.14Å; F549-F563 AromaticContact CZ-CD1 3.7Å; F549-F563 HydrophobicContact CZ-CD1 3.7Å; F549-F563 HydrophobicContact CZ-CG 4.29Å
550	E	97	Very high	95	Very high	104 Å²	104	63.4 Å²	63.4	49%	0.486	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136	164.2	-58.6	-61.3	170.4	0	0	109.7	K523 F524 R561	K523-E550 VanDerWaalsContact CE-OE2 3.29Å; K523-E550 WeakPolarHBondContact CE-OE2 3.37Å; K523-E550 IonicContact NZ-OE1 3.92Å; K523-E550 PolarHBondContact NZ-OE1 2.73Å; K523-E550 IonicContact NZ-OE2 2.79Å; K523-E550 PolarHBondContact NZ-OE2 2.64Å; F524-E550 VanDerWaalsContact CE1-O 3.32Å; F524-E550 WeakPolarHBondContact CE1-O 3.2Å; E550-R561 PolarHBondContact O-NE 3.46Å
551	G	95.2	Very high	95.2	Very high	3 Å²	3	64.3 Å²	64.3	3%	0.031	31%	0.313	C	S	.	.			trans	-88	-143.9	171.7	0	0	0	0	0	111.8	V521 R522 R561	V521-G551 CarbonylContact O-C 3.3Å; V521-G551 WeakPolarHBondContact O-CA 3.38Å; R522-G551 VanDerWaalsContact C-N 3.35Å; R522-G551 PolarHBondContact O-N 3.24Å; G551-R561 PolarHBondContact O-NH2 2.97Å
552	N	95.4	Very high	95.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	30%	0.299	C	S	.	.			trans	-88.3	162.1	178.9	-56.2	107.9	0	0	0	113.7	I503 Q504 G505 F520 V521 H554 T557 D559	I503-N552 PolarHBondContact O-ND2 2.9Å; I503-N552 PolarHBondContact O-OD1 3.24Å; Q504-N552 VanDerWaalsContact C-OD1 3.29Å; Q504-N552 WeakPolarHBondContact CA-OD1 3.28Å; Q504-N552 PolarHBondContact N-OD1 2.92Å; G505-N552 PolarHBondContact N-OD1 2.85Å; F520-N552 HydrophobicContact CB-CB 4.44Å; F520-N552 HydrophobicContact CD2-CB 4.18Å; F520-N552 WeakPolarHBondContact CD2-O 3.37Å; F520-N552 WeakPolarHBondContact CE2-O 3.24Å; V521-N552 PolarHBondContact O-N 2.89Å; N552-H554 VanDerWaalsContact CB-O 3.31Å; N552-H554 WeakPolarHBondContact CB-O 3.32Å; N552-T557 PolarHBondContact ND2-O 2.64Å; N552-D559 WeakPolarHBondContact CA-OD2 3.28Å; N552-D559 WeakPolarHBondContact ND2-CB 3.42Å; N552-D559 PolarHBondContact ND2-N 2.95Å; N552-D559 PolarHBondContact ND2-OD2 2.94Å
553	M	91.9	Very high	95.6	Very high	143 Å²	143	53.8 Å²	53.8	70%	0.704	26%	0.259	S	S	*	.	S	Bend	trans	-111.1	-0.8	167	-69.9	-65.8	-66.4	0	0	113.4
554	H	94.3	Very high	95.6	Very high	38 Å²	38	55 Å²	55	18%	0.176	26%	0.263	C	S	.	.	S	Bend	trans	-144.7	166.6	177.8	-161.8	-121.4	0	0	0	110.5	M373 N552 D556	M373-H554 HydrophobicContact CG-CB 4.23Å; M373-H554 HydrophobicContact SD-CB 3.61Å; N552-H554 VanDerWaalsContact CB-O 3.31Å; N552-H554 WeakPolarHBondContact CB-O 3.32Å; H554-D556 PolarHBondContact ND1-N 3.17Å
555	Y	93.4	Very high	95.8	Very high	12 Å²	12	50.7 Å²	50.7	5%	0.047	25%	0.25	C	C	.	.	S	Bend	trans	-87.1	-33.2	-179.8	69.5	-76.9	0	0	0	113.1	D371 G505 R518 R586	D371-Y555 HydrophobicContact CB-CE2 3.89Å; D371-Y555 WeakPolarHBondContact OD1-CE2 3.21Å; D371-Y555 PolarHBondContact OD1-OH 3.18Å; G505-Y555 CarbonylContact C-O 3.44Å; G505-Y555 WeakPolarHBondContact CA-O 3.48Å; G505-Y555 PolarHBondContact N-O 3.12Å; G505-Y555 VanDerWaalsContact N-O 3.17Å; R518-Y555 HydrophobicContact CB-CD1 4.18Å; R518-Y555 HydrophobicContact CB-CG 4.12Å; R518-Y555 HydrophobicContact CG-CD1 4.17Å; R518-Y555 HydrophobicContact CG-CD2 4.24Å; R518-Y555 HydrophobicContact CG-CE1 4.35Å; R518-Y555 HydrophobicContact CG-CE2 4.39Å; R518-Y555 HydrophobicContact CG-CG 4.14Å; R518-Y555 PolarHBondContact NH2-OH 3.19Å; Y555-R586 PolarHBondContact O-NH2 3.46Å
556	D	95.3	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-87.9	-46.5	174.8	174.8	65.5	0	0	0	113.6	S366 T367 D371 Q504 H554 P558	S366-D556 WeakPolarHBondContact CA-OD2 3.36Å; T367-D556 PolarHBondContact N-OD2 3.36Å; T367-D556 PolarHBondContact OG1-OD1 3.09Å; D371-D556 HydrophobicContact CB-CB 3.85Å; Q504-D556 VanDerWaalsContact CG-O 3.23Å; Q504-D556 WeakPolarHBondContact CG-O 3.36Å; Q504-D556 PolarHBondContact NE2-O 2.63Å; H554-D556 PolarHBondContact ND1-N 3.17Å; D556-P558 VanDerWaalsContact O-CD 3.27Å; D556-P558 WeakPolarHBondContact O-CD 3.3Å
557	T	96.2	Very high	95.9	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.049	23%	0.229	C	C	.	.	S	Bend	trans	-77.2	119.4	-165.6	-48.1	0	0	0	0	110.8	V365 M373 L402 N552	V365-T557 HydrophobicContact CG2-CG2 4.41Å; M373-T557 VanDerWaalsContact CB-OG1 3.31Å; M373-T557 WeakPolarHBondContact CB-OG1 3.46Å; M373-T557 HydrophobicContact CE-CG2 3.78Å; L402-T557 HydrophobicContact CD2-CG2 4.41Å; N552-T557 PolarHBondContact ND2-O 2.64Å
558	P	97.4	Very high	95.9	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.039	22%	0.218	C	C	.	.			trans	-80.1	153.1	-174.4	31.5	-35.3	0	0	0	112.6	L336 T367 L403 L467 I502 I503 Q504 D556	L336-P558 HydrophobicContact CD1-CG 4.44Å; L336-P558 HydrophobicContact CD2-CG 4.47Å; T367-P558 VanDerWaalsContact CG2-CD 3.44Å; T367-P558 HydrophobicContact CG2-CG 4Å; L403-P558 HydrophobicContact CB-CG 4.08Å; L403-P558 HydrophobicContact CD2-CB 4.33Å; L403-P558 HydrophobicContact CD2-CG 3.96Å; L403-P558 HydrophobicContact CG-CG 3.91Å; L403-P558 WeakPolarHBondContact O-CD 3.47Å; L467-P558 HydrophobicContact CD1-CB 3.98Å; I502-P558 HydrophobicContact CG2-CB 3.68Å; I503-P558 CarbonylContact O-C 3.42Å; I503-P558 WeakPolarHBondContact O-CA 3.24Å; Q504-P558 HydrophobicContact CB-CB 4.1Å; Q504-P558 HydrophobicContact CG-CB 4.24Å; D556-P558 VanDerWaalsContact O-CD 3.27Å; D556-P558 WeakPolarHBondContact O-CD 3.3Å
559	D	97.2	Very high	95.9	Very high	41 Å²	41	41.6 Å²	41.6	22%	0.219	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.2	-180	-87.5	-90	0	0	0	110.2	I502 I503 N552 R561	I502-D559 WeakPolarHBondContact CA-O 3.47Å; I503-D559 HydrophobicContact CG2-CB 4.01Å; I503-D559 PolarHBondContact N-O 2.87Å; I503-D559 PolarHBondContact O-N 2.97Å; N552-D559 WeakPolarHBondContact CA-OD2 3.28Å; N552-D559 WeakPolarHBondContact ND2-CB 3.42Å; N552-D559 PolarHBondContact ND2-N 2.95Å; N552-D559 PolarHBondContact ND2-OD2 2.94Å; D559-R561 IonicContact OD1-CZ 3.01Å; D559-R561 VanDerWaalsContact OD1-CZ 3.23Å; D559-R561 IonicContact OD1-NH1 2.84Å; D559-R561 PolarHBondContact OD1-NH1 3.03Å; D559-R561 IonicContact OD1-NH2 2.68Å; D559-R561 PolarHBondContact OD1-NH2 2.64Å
560	I	97.3	Very high	96	Very high	33 Å²	33	43 Å²	43	17%	0.169	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.2	171.5	-169.3	165.7	0	0	0	110.3	M338 V429 I502 R562 L590	M338-I560 HydrophobicContact CE-CG2 3.86Å; V429-I560 HydrophobicContact CG1-CD1 4.23Å; I502-I560 HydrophobicContact CG1-CB 4.4Å; I502-I560 HydrophobicContact CG1-CG1 4.22Å; I560-R562 HydrophobicContact CD1-CG 4.46Å; I560-R562 VanDerWaalsContact CD1-CZ 3.44Å; I560-R562 HydrophobicContact CG1-CG 4.31Å; I560-L590 HydrophobicContact CD1-CD1 3.44Å; I560-L590 VanDerWaalsContact CD1-CD1 3.44Å; I560-L590 HydrophobicContact CG1-CD1 3.76Å
561	R	97.2	Very high	96.1	Very high	60 Å²	60	38.2 Å²	38.2	23%	0.226	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	105.1	175.7	-61.5	-61.7	179.8	-105.3	-2.8	109.2	G500 V501 F524 F549 E550 G551 D559	G500-R561 CarbonylContact C-O 3.56Å; G500-R561 WeakPolarHBondContact CA-O 3.42Å; V501-R561 HydrophobicContact CG2-CB 4.4Å; V501-R561 PolarHBondContact N-O 2.74Å; V501-R561 PolarHBondContact O-N 3.05Å; F524-R561 HydrophobicContact CE1-CG 4.23Å; F524-R561 HydrophobicContact CZ-CB 4.14Å; F524-R561 HydrophobicContact CZ-CG 3.95Å; F549-R561 HydrophobicContact CD1-CB 4.16Å; E550-R561 PolarHBondContact O-NE 3.46Å; G551-R561 PolarHBondContact O-NH2 2.97Å; D559-R561 IonicContact OD1-CZ 3.01Å; D559-R561 VanDerWaalsContact OD1-CZ 3.23Å; D559-R561 IonicContact OD1-NH1 2.84Å; D559-R561 PolarHBondContact OD1-NH1 3.03Å; D559-R561 IonicContact OD1-NH2 2.68Å; D559-R561 PolarHBondContact OD1-NH2 2.64Å
562	R	95.7	Very high	96.2	Very high	108 Å²	108	39.7 Å²	39.7	41%	0.408	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	155.5	177.1	-68.2	-176.4	175.6	118.3	-4.4	111.4	V429 S435 K499 I560	V429-R562 PolarHBondContact O-NH2 3.34Å; S435-R562 PolarHBondContact OG-NH2 2.96Å; K499-R562 VanDerWaalsContact O-CA 3.32Å; K499-R562 WeakPolarHBondContact O-CA 3.41Å; I560-R562 HydrophobicContact CD1-CG 4.46Å; I560-R562 VanDerWaalsContact CD1-CZ 3.44Å; I560-R562 HydrophobicContact CG1-CG 4.31Å
563	F	96	Very high	96.4	Very high	12 Å²	12	39.6 Å²	39.6	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	172.6	178	42.6	-107.8	0	0	0	109.7	V498 K499 V501 V526 I538 F549 I566	V498-F563 HydrophobicContact CG1-CE2 3.92Å; V498-F563 HydrophobicContact CG1-CZ 3.89Å; K499-F563 PolarHBondContact O-N 2.72Å; V501-F563 HydrophobicContact CG1-CE1 4.46Å; V526-F563 HydrophobicContact CG1-CE1 4.46Å; V526-F563 HydrophobicContact CG2-CE1 4.48Å; I538-F563 HydrophobicContact CD1-CB 4.29Å; I538-F563 HydrophobicContact CD1-CD1 3.68Å; I538-F563 HydrophobicContact CD1-CD2 3.59Å; I538-F563 HydrophobicContact CD1-CE1 3.76Å; I538-F563 HydrophobicContact CD1-CE2 3.67Å; I538-F563 HydrophobicContact CD1-CG 3.59Å; I538-F563 HydrophobicContact CD1-CZ 3.75Å; I538-F563 HydrophobicContact CG2-CB 4.49Å; F549-F563 HydrophobicContact CE1-CB 4.24Å; F549-F563 AromaticContact CE1-CD1 3.86Å; F549-F563 HydrophobicContact CE1-CD1 3.86Å; F549-F563 HydrophobicContact CZ-CB 4.14Å; F549-F563 AromaticContact CZ-CD1 3.7Å; F549-F563 HydrophobicContact CZ-CD1 3.7Å; F549-F563 HydrophobicContact CZ-CG 4.29Å; F563-I566 HydrophobicContact CD2-CD1 4.42Å; F563-I566 HydrophobicContact CD2-CG1 4.31Å; F563-I566 HydrophobicContact CE2-CD1 3.81Å; F563-I566 HydrophobicContact CE2-CG1 3.86Å; F563-I566 HydrophobicContact CZ-CD1 4.5Å
564	D	94.3	Very high	96.7	Very high	107 Å²	107	33.6 Å²	33.6	57%	0.572	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62	139	-179.9	-49.1	-70.1	0	0	0	110.2	I566	D564-I566 PolarHBondContact O-N 3.38Å
565	P	95.8	Very high	96.9	Very high	81 Å²	81	31.9 Å²	31.9	53%	0.526	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.7	-169.2	25.2	-34	0	0	0	112.1	T497 V498	T497-P565 HydrophobicContact CG2-CB 3.69Å; V498-P565 WeakPolarHBondContact O-CA 3.39Å
566	I	95.9	Very high	97.1	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	-176.3	45	162.9	0	0	0	111.7	V498 Y528 I538 F563 D564 A568	V498-I566 HydrophobicContact CB-CG1 4.22Å; V498-I566 PolarHBondContact N-O 3.46Å; V498-I566 VanDerWaalsContact O-CG1 3.31Å; V498-I566 WeakPolarHBondContact O-CG1 3.11Å; V498-I566 PolarHBondContact O-N 3.2Å; Y528-I566 HydrophobicContact CD1-CD1 3.43Å; Y528-I566 VanDerWaalsContact CD1-CD1 3.43Å; Y528-I566 HydrophobicContact CD2-CD1 4.27Å; Y528-I566 HydrophobicContact CE1-CD1 3.98Å; Y528-I566 HydrophobicContact CE1-CG2 4.18Å; Y528-I566 HydrophobicContact CE2-CB 4.46Å; Y528-I566 HydrophobicContact CE2-CG2 4.49Å; Y528-I566 HydrophobicContact CG-CD1 3.61Å; I538-I566 HydrophobicContact CD1-CD1 3.88Å; I538-I566 HydrophobicContact CG1-CD1 4.19Å; F563-I566 HydrophobicContact CD2-CD1 4.42Å; F563-I566 HydrophobicContact CD2-CG1 4.31Å; F563-I566 HydrophobicContact CE2-CD1 3.81Å; F563-I566 HydrophobicContact CE2-CG1 3.86Å; F563-I566 HydrophobicContact CZ-CD1 4.5Å; D564-I566 PolarHBondContact O-N 3.38Å; I566-A568 PolarHBondContact O-N 3.19Å
567	P	96.8	Very high	97.1	Very high	54 Å²	54	40.5 Å²	40.5	35%	0.351	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	116.3	172.5	31.4	-32.1	0	0	0	110
568	A	97.3	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.2	-177.9	0	0	0	0	0	111.8	K496 V498 I566 V571	K496-A568 PolarHBondContact N-O 2.72Å; K496-A568 PolarHBondContact O-N 2.87Å; V498-A568 HydrophobicContact CG2-CB 4.01Å; I566-A568 PolarHBondContact O-N 3.19Å; A568-V571 HydrophobicContact CB-CG2 4.21Å
569	Q	97.5	Very high	97	Very high	31 Å²	31	42 Å²	42	15%	0.145	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-36	160.2	176	169.9	-22.2	0	0	110.3	D491 L492 S529	D491-Q569 VanDerWaalsContact OD1-CG 3.31Å; D491-Q569 WeakPolarHBondContact OD1-CG 3.38Å; D491-Q569 PolarHBondContact OD1-NE2 2.8Å; L492-Q569 VanDerWaalsContact CB-O 3.29Å; L492-Q569 WeakPolarHBondContact CB-O 3.43Å; L492-Q569 VanDerWaalsContact CG-O 3.28Å; L492-Q569 WeakPolarHBondContact CG-O 3.17Å; L492-Q569 PolarHBondContact N-O 2.85Å; S529-Q569 PolarHBondContact O-N 3.27Å
570	Y	98.4	Very high	96.7	Very high	43 Å²	43	46.4 Å²	46.4	17%	0.169	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.9	179.8	-61	-90	0	0	0	110	V490 D491 Y528 S529 G532 W535	V490-Y570 WeakPolarHBondContact O-CA 3.21Å; D491-Y570 HydrophobicContact CB-CD1 3.86Å; D491-Y570 HydrophobicContact CB-CE1 3.54Å; D491-Y570 VanDerWaalsContact CG-CZ 3.49Å; D491-Y570 WeakPolarHBondContact OD2-CE1 3.16Å; D491-Y570 PolarHBondContact OD2-OH 3.39Å; Y528-Y570 CarbonylContact C-O 3.58Å; Y528-Y570 VanDerWaalsContact CA-O 3.27Å; Y528-Y570 WeakPolarHBondContact CA-O 3.3Å; S529-Y570 PolarHBondContact N-O 2.68Å; S529-Y570 PolarHBondContact O-N 2.95Å; G532-Y570 VanDerWaalsContact N-CD2 3.35Å; W535-Y570 HydrophobicContact CH2-CG 4.46Å
571	V	98.6	Very high	96.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.2	175.2	-177.6	0	0	0	0	109	Q489 V490 L492 V498 V526 A568 V589	Q489-V571 WeakPolarHBondContact CA-O 3.28Å; V490-V571 PolarHBondContact N-O 2.79Å; V490-V571 PolarHBondContact O-N 3.19Å; L492-V571 HydrophobicContact CD1-CG2 4.33Å; V498-V571 HydrophobicContact CG1-CG2 4.28Å; V498-V571 HydrophobicContact CG2-CG2 4.1Å; V526-V571 HydrophobicContact CG1-CG1 4.06Å; A568-V571 HydrophobicContact CB-CG2 4.21Å; V571-V589 HydrophobicContact CG2-CG1 4.2Å
572	R	98.5	Very high	96.1	Very high	34 Å²	34	43.4 Å²	43.4	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142	173.6	-83.8	-179.9	-174.9	167	4.6	112.5	W487 L488 Q489 V526 S527 W535 Y574	W487-R572 HydrophobicContact CD2-CG 4.46Å; W487-R572 HydrophobicContact CE3-CG 4.12Å; L488-R572 VanDerWaalsContact O-CA 3.25Å; L488-R572 WeakPolarHBondContact O-CA 3.2Å; Q489-R572 HydrophobicContact CB-CG 3.68Å; Q489-R572 HydrophobicContact CG-CG 3.99Å; Q489-R572 VanDerWaalsContact OE1-CZ 3.25Å; V526-R572 WeakPolarHBondContact CA-O 3.17Å; S527-R572 PolarHBondContact N-O 2.89Å; S527-R572 PolarHBondContact O-N 3.35Å; W535-R572 HydrophobicContact CE3-CG 4.38Å; W535-R572 HydrophobicContact CH2-CB 4.48Å; W535-R572 HydrophobicContact CH2-CG 3.63Å; W535-R572 HydrophobicContact CZ2-CG 4.47Å; W535-R572 HydrophobicContact CZ3-CB 3.95Å; W535-R572 HydrophobicContact CZ3-CG 3.59Å; R572-Y574 HydrophobicContact CB-CD2 4.11Å; R572-Y574 HydrophobicContact CB-CE2 3.52Å; R572-Y574 WeakPolarHBondContact CD-OH 3.32Å; R572-Y574 HydrophobicContact CG-CE2 4.33Å; R572-Y574 PolarHBondContact NH1-OH 3.18Å
573	V	98.7	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.4	172.4	175.5	0	0	0	0	109.4	W487 L488 F524 M585 L587	W487-V573 VanDerWaalsContact CA-O 3.31Å; W487-V573 WeakPolarHBondContact CA-O 3.41Å; L488-V573 PolarHBondContact N-O 2.97Å; L488-V573 VanDerWaalsContact N-O 3.1Å; L488-V573 PolarHBondContact O-N 2.93Å; F524-V573 HydrophobicContact CB-CG1 4.03Å; F524-V573 HydrophobicContact CD2-CG1 3.71Å; F524-V573 HydrophobicContact CE2-CG1 4.37Å; F524-V573 HydrophobicContact CG-CG1 4.02Å; V573-M585 HydrophobicContact CB-CE 3.92Å; V573-M585 HydrophobicContact CG1-CE 3.75Å; V573-M585 HydrophobicContact CG1-SD 3.71Å; V573-L587 HydrophobicContact CB-CD2 4.38Å; V573-L587 HydrophobicContact CG2-CD1 3.95Å; V573-L587 HydrophobicContact CG2-CD2 3.76Å
574	Y	98.4	Very high	95.9	Very high	17 Å²	17	37.7 Å²	37.7	7%	0.067	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.6	-176.8	-73.2	-99.3	0	0	0	110.4	G484 W487 F524 K525 S527 Y537 R572	G484-Y574 WeakPolarHBondContact O-CD1 3.42Å; W487-Y574 HydrophobicContact CB-CD1 3.83Å; W487-Y574 HydrophobicContact CB-CD2 4.26Å; W487-Y574 HydrophobicContact CB-CE1 3.68Å; W487-Y574 HydrophobicContact CB-CE2 4.1Å; W487-Y574 HydrophobicContact CB-CG 4.13Å; W487-Y574 AromaticContact CD1-CE1 3.54Å; W487-Y574 AromaticContact CD1-CZ 3.92Å; W487-Y574 HydrophobicContact CG-CD1 4.47Å; W487-Y574 AromaticContact CG-CE1 3.88Å; W487-Y574 HydrophobicContact CG-CE1 3.88Å; W487-Y574 AromaticContact CG-CZ 3.97Å; F524-Y574 CarbonylContact C-O 3.6Å; F524-Y574 WeakPolarHBondContact CA-O 3.48Å; F524-Y574 VanDerWaalsContact CB-O 3.3Å; F524-Y574 WeakPolarHBondContact CB-O 3.12Å; K525-Y574 PolarHBondContact N-O 2.74Å; K525-Y574 PolarHBondContact O-N 2.76Å; S527-Y574 WeakPolarHBondContact OG-CE2 3.16Å; Y537-Y574 AromaticContact CE1-CD2 3.94Å; Y537-Y574 HydrophobicContact CE1-CD2 3.94Å; Y537-Y574 HydrophobicContact CE1-CE2 4.14Å; Y537-Y574 HydrophobicContact CE1-CG 4.38Å; R572-Y574 HydrophobicContact CB-CD2 4.11Å; R572-Y574 HydrophobicContact CB-CE2 3.52Å; R572-Y574 WeakPolarHBondContact CD-OH 3.32Å; R572-Y574 HydrophobicContact CG-CE2 4.33Å; R572-Y574 PolarHBondContact NH1-OH 3.18Å
575	P	98.2	Very high	96	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.3	176.9	-22.6	35.7	0	0	0	112.9	W474 G484 E486 V521 W578 I583	W474-P575 HydrophobicContact CH2-CG 4.42Å; W474-P575 HydrophobicContact CZ3-CG 4.12Å; G484-P575 PolarHBondContact N-O 2.84Å; E486-P575 VanDerWaalsContact O-CD 3.26Å; E486-P575 WeakPolarHBondContact O-CD 3.33Å; V521-P575 HydrophobicContact CG1-CB 4.16Å; V521-P575 HydrophobicContact CG2-CB 4.08Å; V521-P575 HydrophobicContact CG2-CG 4.09Å; P575-W578 HydrophobicContact CB-CE3 4.11Å; P575-W578 HydrophobicContact CB-CZ3 4.33Å; P575-I583 HydrophobicContact CB-CD1 3.88Å; P575-I583 HydrophobicContact CB-CG1 3.99Å; P575-I583 HydrophobicContact CB-CG2 4.25Å; P575-I583 HydrophobicContact CG-CD1 4.2Å; P575-I583 HydrophobicContact CG-CG1 4.42Å; P575-I583 HydrophobicContact CG-CG2 3.83Å
576	E	97.6	Very high	96.1	Very high	34 Å²	34	29 Å²	29	16%	0.159	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-31	-178.1	-71.9	-86	138.7	0	0	112.7	K523 K525 L548	K523-E576 HydrophobicContact CB-CB 4.38Å; K523-E576 PolarHBondContact O-N 3.03Å; K525-E576 HydrophobicContact CD-CG 4.08Å; K525-E576 WeakPolarHBondContact CD-OE1 3.13Å; K525-E576 VanDerWaalsContact CE-OE1 3.27Å; K525-E576 WeakPolarHBondContact CE-OE1 3.15Å; K525-E576 VanDerWaalsContact CE-OE2 3.29Å; K525-E576 WeakPolarHBondContact CE-OE2 3.49Å; K525-E576 HydrophobicContact CG-CG 4.07Å; K525-E576 IonicContact NZ-OE1 3.57Å; K525-E576 PolarHBondContact NZ-OE1 3.36Å; K525-E576 IonicContact NZ-OE2 3.45Å; K525-E576 PolarHBondContact NZ-OE2 2.81Å; L548-E576 HydrophobicContact CD1-CB 3.69Å; L548-E576 HydrophobicContact CD1-CG 3.66Å
577	R	97.3	Very high	96.3	Very high	159 Å²	159	28.1 Å²	28.1	60%	0.6	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.4	169.4	-59.2	-170.3	-175	-171.6	-1.9	109.3	R522 K523	R522-R577 WeakPolarHBondContact CA-O 3.3Å; R522-R577 HydrophobicContact CB-CB 4.38Å; R522-R577 PolarHBondContact N-O 2.86Å; K523-R577 HydrophobicContact CB-CB 4.11Å; K523-R577 HydrophobicContact CB-CG 4.35Å; K523-R577 PolarHBondContact N-O 3.14Å; K523-R577 PolarHBondContact O-N 3.03Å; K523-R577 VanDerWaalsContact O-N 3.14Å
578	W	96.4	Very high	96.3	Very high	41 Å²	41	25.5 Å²	25.5	16%	0.155	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-177.8	-175.3	44.6	89.4	0	0	0	111.8	A481 P483 F520 R522 P575 G582 I583	A481-W578 VanDerWaalsContact O-CH2 3.24Å; A481-W578 WeakPolarHBondContact O-CH2 3.3Å; A481-W578 WeakPolarHBondContact O-CZ2 3.21Å; P483-W578 HydrophobicContact CG-CH2 4.02Å; P483-W578 HydrophobicContact CG-CZ3 4.43Å; F520-W578 CarbonylContact O-C 3.49Å; F520-W578 VanDerWaalsContact O-CA 3.26Å; F520-W578 WeakPolarHBondContact O-CA 3.25Å; F520-W578 WeakPolarHBondContact O-CB 3.4Å; R522-W578 WeakPolarHBondContact CD-O 3.21Å; P575-W578 HydrophobicContact CB-CE3 4.11Å; P575-W578 HydrophobicContact CB-CZ3 4.33Å; W578-G582 VanDerWaalsContact CD1-CA 3.43Å; W578-I583 HydrophobicContact CB-CG1 4.33Å; W578-I583 HydrophobicContact CD2-CD1 4.24Å; W578-I583 HydrophobicContact CD2-CG1 3.52Å; W578-I583 HydrophobicContact CE3-CD1 3.94Å; W578-I583 HydrophobicContact CE3-CG1 3.55Å; W578-I583 HydrophobicContact CG-CG1 3.87Å; W578-I583 HydrophobicContact CH2-CD1 4.21Å; W578-I583 HydrophobicContact CZ2-CD1 4.49Å; W578-I583 HydrophobicContact CZ2-CG1 4.5Å; W578-I583 HydrophobicContact CZ3-CD1 3.92Å; W578-I583 HydrophobicContact CZ3-CG1 4.07Å
579	S	94.2	Very high	96.4	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.035	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-73.4	165.6	173.8	79.2	0	0	0	0	112.3	R518 A519 F520 A581 G582	R518-S579 PolarHBondContact O-OG 2.81Å; A519-S579 WeakPolarHBondContact CA-OG 3.39Å; F520-S579 PolarHBondContact N-OG 3.44Å; F520-S579 PolarHBondContact O-N 2.92Å; S579-A581 PolarHBondContact O-N 3.25Å; S579-A581 VanDerWaalsContact O-N 3.09Å; S579-A581 PolarHBondContact OG-N 3.48Å; S579-G582 PolarHBondContact O-N 3.21Å
580	P	91.5	Very high	96.4	Very high	133 Å²	133	24.1 Å²	24.1	86%	0.864	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26	177.6	-26.1	36.2	0	0	0	115.1	Q480 G582	Q480-P580 PolarHBondContact NE2-O 2.78Å; P580-G582 VanDerWaalsContact C-N 3.27Å; P580-G582 PolarHBondContact O-N 2.93Å
581	A	89.1	Confident	96.3	Very high	30 Å²	30	22 Å²	22	25%	0.248	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.9	177	0	0	0	0	0	113.9	E516 A519 S579	E516-A581 WeakPolarHBondContact O-CB 3.22Å; A519-A581 HydrophobicContact CB-CB 4.08Å; S579-A581 PolarHBondContact O-N 3.25Å; S579-A581 VanDerWaalsContact O-N 3.09Å; S579-A581 PolarHBondContact OG-N 3.48Å
582	G	91.8	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	117.9	-171.6	-174.3	0	0	0	0	0	113.3	P479 W578 S579 P580	P479-G582 CarbonylContact O-C 3.58Å; P479-G582 WeakPolarHBondContact O-CA 3.42Å; W578-G582 VanDerWaalsContact CD1-CA 3.43Å; S579-G582 PolarHBondContact O-N 3.21Å; P580-G582 VanDerWaalsContact C-N 3.27Å; P580-G582 PolarHBondContact O-N 2.93Å
583	I	94.4	Very high	95.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.134	C	C	.	.			trans	-70.3	126.3	169.5	-61.7	168.7	0	0	0	108.8	W474 F475 P476 P479 A481 E486 V521 P575 W578	W474-I583 HydrophobicContact CE3-CG2 4.5Å; W474-I583 HydrophobicContact CH2-CG2 4.44Å; W474-I583 HydrophobicContact CZ3-CG2 4.02Å; F475-I583 WeakPolarHBondContact CD1-O 3.36Å; P476-I583 HydrophobicContact CG-CB 3.83Å; P476-I583 HydrophobicContact CG-CD1 4.05Å; P476-I583 HydrophobicContact CG-CG2 3.92Å; P479-I583 PolarHBondContact O-N 2.88Å; A481-I583 HydrophobicContact CB-CD1 4.14Å; E486-I583 HydrophobicContact CB-CD1 4.42Å; E486-I583 HydrophobicContact CG-CD1 4.45Å; V521-I583 HydrophobicContact CG2-CG2 4.25Å; P575-I583 HydrophobicContact CB-CD1 3.88Å; P575-I583 HydrophobicContact CB-CG1 3.99Å; P575-I583 HydrophobicContact CB-CG2 4.25Å; P575-I583 HydrophobicContact CG-CD1 4.2Å; P575-I583 HydrophobicContact CG-CG1 4.42Å; P575-I583 HydrophobicContact CG-CG2 3.83Å; W578-I583 HydrophobicContact CB-CG1 4.33Å; W578-I583 HydrophobicContact CD2-CD1 4.24Å; W578-I583 HydrophobicContact CD2-CG1 3.52Å; W578-I583 HydrophobicContact CE3-CD1 3.94Å; W578-I583 HydrophobicContact CE3-CG1 3.55Å; W578-I583 HydrophobicContact CG-CG1 3.87Å; W578-I583 HydrophobicContact CH2-CD1 4.21Å; W578-I583 HydrophobicContact CZ2-CD1 4.49Å; W578-I583 HydrophobicContact CZ2-CG1 4.5Å; W578-I583 HydrophobicContact CZ3-CD1 3.92Å; W578-I583 HydrophobicContact CZ3-CG1 4.07Å
584	G	94.3	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.			trans	-152.4	131.8	167.1	0	0	0	0	0	108.1	W474 F520	W474-G584 WeakPolarHBondContact O-CA 3.42Å; F520-G584 WeakPolarHBondContact CA-O 3.3Å
585	M	96.4	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-149.7	141.7	-169.2	-161.1	169.2	72.2	0	0	113.4	W474 L488 I503 Q504 V521 V573	W474-M585 HydrophobicContact CE3-CB 4.09Å; W474-M585 HydrophobicContact CE3-CE 3.95Å; W474-M585 HydrophobicContact CZ3-CE 3.89Å; W474-M585 PolarHBondContact N-O 3.42Å; W474-M585 PolarHBondContact O-N 3.31Å; L488-M585 HydrophobicContact CB-CE 3.55Å; L488-M585 HydrophobicContact CD2-CE 3.68Å; L488-M585 HydrophobicContact CG-CE 4.27Å; I503-M585 HydrophobicContact CD1-CG 4.16Å; I503-M585 HydrophobicContact CD1-SD 3.64Å; I503-M585 HydrophobicContact CG1-CG 3.86Å; I503-M585 HydrophobicContact CG1-SD 3.94Å; Q504-M585 CarbonylContact O-C 3.57Å; Q504-M585 WeakPolarHBondContact O-CA 3.34Å; V521-M585 HydrophobicContact CB-SD 4.48Å; V521-M585 HydrophobicContact CG2-CB 4.15Å; V521-M585 HydrophobicContact CG2-CG 4.22Å; V521-M585 HydrophobicContact CG2-SD 3.88Å; V573-M585 HydrophobicContact CB-CE 3.92Å; V573-M585 HydrophobicContact CG1-CE 3.75Å; V573-M585 HydrophobicContact CG1-SD 3.71Å
586	R	97.9	Very high	91.7	Very high	4 Å²	4	40 Å²	40	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.3	163.5	-72.1	175.3	-69.3	169.5	5.5	108	A465 R466 S470 Q504 G505 Y555	A465-R586 CarbonylContact O-C 3.57Å; A465-R586 WeakPolarHBondContact O-CA 3Å; R466-R586 WeakPolarHBondContact O-CB 3.27Å; R466-R586 WeakPolarHBondContact O-CD 3.49Å; R466-R586 WeakPolarHBondContact O-CG 3.18Å; S470-R586 PolarHBondContact O-NH1 3.04Å; Q504-R586 HydrophobicContact CB-CB 4.02Å; Q504-R586 VanDerWaalsContact CD-CZ 3.43Å; Q504-R586 VanDerWaalsContact CD-NH2 3.3Å; Q504-R586 PolarHBondContact N-O 3.27Å; Q504-R586 PolarHBondContact O-N 3.15Å; Q504-R586 VanDerWaalsContact OE1-CZ 3.31Å; G505-R586 PolarHBondContact O-NE 3.43Å; G505-R586 PolarHBondContact O-NH2 2.88Å; Y555-R586 PolarHBondContact O-NH2 3.46Å
587	L	98.3	Very high	89	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146	-166.1	-168.4	71.1	0	0	0	113.1	M440 A465 L467 L488 V490 V501 I502 I503 V573	M440-L587 WeakPolarHBondContact CB-O 3.25Å; M440-L587 WeakPolarHBondContact CG-O 3.27Å; A465-L587 PolarHBondContact O-N 3.29Å; L467-L587 PolarHBondContact N-O 3.4Å; L488-L587 HydrophobicContact CD2-CB 3.89Å; L488-L587 HydrophobicContact CD2-CD2 3.93Å; V490-L587 HydrophobicContact CG2-CD2 4.21Å; V501-L587 HydrophobicContact CB-CD1 4.14Å; I502-L587 WeakPolarHBondContact O-CA 3.26Å; I503-L587 HydrophobicContact CB-CD1 4.49Å; V573-L587 HydrophobicContact CB-CD2 4.38Å; V573-L587 HydrophobicContact CG2-CD1 3.95Å; V573-L587 HydrophobicContact CG2-CD2 3.76Å
588	E	98.6	Very high	85.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.5	160.6	178.8	60.7	-78.1	0	0	109.9	M437 G439 M440 L441 L467 V501 I502	M437-E588 HydrophobicContact CB-CG 3.94Å; M437-E588 HydrophobicContact CG-CG 4.13Å; G439-E588 PolarHBondContact N-OE1 3.42Å; G439-E588 PolarHBondContact N-OE2 3.05Å; M440-E588 HydrophobicContact CB-CB 4.28Å; M440-E588 WeakPolarHBondContact CB-OE1 3.47Å; M440-E588 WeakPolarHBondContact CG-OE1 3.37Å; M440-E588 VanDerWaalsContact N-CD 3.33Å; M440-E588 PolarHBondContact N-OE1 2.85Å; M440-E588 PolarHBondContact N-OE2 2.9Å; L441-E588 PolarHBondContact N-OE2 3.22Å; L467-E588 HydrophobicContact CB-CB 3.77Å; L467-E588 HydrophobicContact CD2-CB 3.47Å; L467-E588 VanDerWaalsContact CD2-CB 3.47Å; L467-E588 HydrophobicContact CD2-CG 4.2Å; L467-E588 HydrophobicContact CG-CB 4.21Å; V501-E588 CarbonylContact C-O 3.14Å; V501-E588 WeakPolarHBondContact CA-O 3.29Å; I502-E588 HydrophobicContact CB-CB 4.35Å; I502-E588 PolarHBondContact N-O 3.38Å; I502-E588 PolarHBondContact O-N 3.48Å
589	V	98.5	Very high	82.7	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.1	177	-170.9	0	0	0	0	109.2	L438 V490 L492 V498 V571	L438-V589 HydrophobicContact CB-CB 4.48Å; L438-V589 WeakPolarHBondContact CB-O 3.45Å; L438-V589 HydrophobicContact CD1-CB 4.2Å; L438-V589 HydrophobicContact CD1-CG1 3.86Å; L438-V589 WeakPolarHBondContact CG-O 3.46Å; L438-V589 PolarHBondContact N-O 2.84Å; V490-V589 HydrophobicContact CB-CG2 4.18Å; V490-V589 HydrophobicContact CG1-CG2 4.22Å; V490-V589 HydrophobicContact CG2-CG2 4.14Å; L492-V589 HydrophobicContact CD2-CB 4.3Å; L492-V589 HydrophobicContact CD2-CG1 4.39Å; L492-V589 HydrophobicContact CD2-CG2 4.49Å; V498-V589 HydrophobicContact CG1-CG1 3.58Å; V498-V589 HydrophobicContact CG2-CG1 4.19Å; V571-V589 HydrophobicContact CG2-CG1 4.2Å
590	L	98.1	Very high	79.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135	-179.7	-63.2	-180	0	0	0	112	V429 N436 M437 K499 G500 I502 I560	V429-L590 HydrophobicContact CG1-CD1 4.19Å; V429-L590 HydrophobicContact CG1-CD2 4Å; N436-L590 VanDerWaalsContact O-CA 3.32Å; N436-L590 WeakPolarHBondContact O-CA 3.32Å; M437-L590 HydrophobicContact CG-CD2 3.89Å; K499-L590 PolarHBondContact N-O 2.84Å; G500-L590 PolarHBondContact N-O 3.46Å; G500-L590 PolarHBondContact O-N 3.23Å; I502-L590 HydrophobicContact CD1-CD1 4.1Å; I502-L590 HydrophobicContact CD1-CD2 3.86Å; I502-L590 HydrophobicContact CD1-CG 4.21Å; I502-L590 HydrophobicContact CG1-CD1 3.8Å; I502-L590 HydrophobicContact CG1-CD2 4.27Å; I502-L590 HydrophobicContact CG1-CG 4.06Å; I560-L590 HydrophobicContact CD1-CD1 3.44Å; I560-L590 VanDerWaalsContact CD1-CD1 3.44Å; I560-L590 HydrophobicContact CG1-CD1 3.76Å
591	G	95.6	Very high	77.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-152.3	177.9	0	0	0	0	0	114.9	C434 N436 T497	C434-G591 CarbonylContact C-O 3.59Å; N436-G591 WeakPolarHBondContact CB-O 3.44Å; N436-G591 PolarHBondContact N-O 3.01Å; N436-G591 PolarHBondContact O-N 3.04Å; T497-G591 CarbonylContact O-C 3.57Å; T497-G591 WeakPolarHBondContact O-CA 3.4Å
592	C	94.3	Very high	74.5	Confident	32 Å²	32	59.1 Å²	59.1	22%	0.216	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	174	173.4	59.8	0	0	0	0	110.5	C434 K496 T497	C434-C592 HydrophobicContact CB-CB 3.9Å; C434-C592 WeakPolarHBondContact CB-SG 3.33Å; C434-C592 WeakPolarHBondContact SG-CB 3.25Å; C434-C592 PolarHBondContact SG-N 2.71Å; C434-C592 CovalentContact SG-SG 2.04Å; C434-C592 PolarHBondContact SG-SG 3.5Å; K496-C592 WeakPolarHBondContact CB-O 3.38Å; T497-C592 PolarHBondContact N-O 3.19Å; T497-C592 PolarHBondContact O-N 3.37Å
593	D	92.2	Very high	71.7	Confident	80 Å²	80	64.9 Å²	64.9	43%	0.428	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	143.1	175.6	-65	-57.4	0	0	0	111.9	K496 T595	K496-D593 IonicContact NZ-OD1 3.8Å; K496-D593 PolarHBondContact NZ-OD1 3.45Å; D593-T595 PolarHBondContact O-N 3.12Å
594	W	85.3	Confident	68.7	Low	121 Å²	121	73.7 Å²	73.7	46%	0.458	41%	0.405	S	S	.	.			trans	-76.4	122.3	-179.4	-179.2	46.7	0	0	0	111	P495 D596	P495-W594 HydrophobicContact CB-CD2 4.49Å; P495-W594 HydrophobicContact CB-CE3 3.89Å; P495-W594 WeakPolarHBondContact O-CB 3.49Å; W594-D596 HydrophobicContact CZ2-CB 4.32Å
595	T	76.3	Confident	65.6	Low	100 Å²	100	76.6 Å²	76.6	61%	0.613	43%	0.434	S	S	*	.			trans	-106.1	122.3	170.3	42.4	0	0	0	0	109.3	D593 S597	D593-T595 PolarHBondContact O-N 3.12Å; T595-S597 PolarHBondContact O-N 2.71Å
596	D	48	Very low	62.5	Low	98 Å²	98	82.6 Å²	82.6	52%	0.524	47%	0.473	S	S	.	.			trans	-76	59.4	176.7	-173.2	30.6	0	0	0	111	W594 K598	W594-D596 HydrophobicContact CZ2-CB 4.32Å; D596-K598 PolarHBondContact O-N 2.87Å; D596-K598 VanDerWaalsContact OD2-CE 3.32Å; D596-K598 WeakPolarHBondContact OD2-CE 3.34Å; D596-K598 IonicContact OD2-NZ 3.78Å; D596-K598 PolarHBondContact OD2-NZ 2.92Å
597	S	40.6	Very low	59.4	Low	96 Å²	96	89 Å²	89	67%	0.671	51%	0.513	S	S	*	.			trans	-75.5	75.2	176.9	58.6	0	0	0	0	110.3	T595 P599	T595-S597 PolarHBondContact O-N 2.71Å; S597-P599 WeakPolarHBondContact O-CD 3.2Å
598	K	29.8	Very low	56	Low	151 Å²	151	95.5 Å²	95.5	66%	0.657	55%	0.553	S	S	*	*			trans	-56.4	120.2	162.6	-69.3	172.3	-174	156.5	0	108	D596 T600	D596-K598 PolarHBondContact O-N 2.87Å; D596-K598 VanDerWaalsContact OD2-CE 3.32Å; D596-K598 WeakPolarHBondContact OD2-CE 3.34Å; D596-K598 IonicContact OD2-NZ 3.78Å; D596-K598 PolarHBondContact OD2-NZ 2.92Å; K598-T600 PolarHBondContact O-N 2.71Å; K598-T600 VanDerWaalsContact O-N 3.07Å
599	P	32.1	Very low	52.7	Low	114 Å²	114	104.6 Å²	104.6	74%	0.74	59%	0.592	S	S	*	*			trans	-66.3	112.7	172.8	27	-32.3	0	0	0	108.3	S597 V601	S597-P599 WeakPolarHBondContact O-CD 3.2Å; P599-V601 PolarHBondContact O-N 3.46Å; P599-V601 VanDerWaalsContact O-N 3.07Å
600	T	28.3	Very low	49.2	Very low	132 Å²	132	110.3 Å²	110.3	81%	0.81	63%	0.632	S	S	*	*			trans	-66	104.8	171	33.5	0	0	0	0	109.1	K598 E602	K598-T600 PolarHBondContact O-N 2.71Å; K598-T600 VanDerWaalsContact O-N 3.07Å; T600-E602 VanDerWaalsContact C-N 3.29Å; T600-E602 PolarHBondContact O-N 2.78Å
601	V	40.2	Very low	45.8	Very low	136 Å²	136	119.1 Å²	119.1	82%	0.824	67%	0.674	S	S	*	*			trans	-79.2	79.7	178.7	-176.1	0	0	0	0	109.7	P599	P599-V601 PolarHBondContact O-N 3.46Å; P599-V601 VanDerWaalsContact O-N 3.07Å
602	E	33.6	Very low	42.5	Very low	174 Å²	174	128 Å²	128	81%	0.813	72%	0.715	S	S	*	*			trans	-137.5	127	165.9	-69.4	-172	178.5	0	0	108.5	T600	T600-E602 VanDerWaalsContact C-N 3.29Å; T600-E602 PolarHBondContact O-N 2.78Å
603	T	32.1	Very low	39.2	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	74%	0.741	S	S	*	*			cis	-148	113.8	-15.1	-65.1	0	0	0	0	108.7	G605	T603-G605 PolarHBondContact O-N 3.21Å
604	L	32.8	Very low	35.8	Very low	186 Å²	186	134.8 Å²	134.8	97%	0.974	76%	0.758	S	S	*	*			trans	-94.6	83.1	171.1	-81.8	172.4	0	0	0	110.9
605	G	29.8	Very low	32.9	Very low	60 Å²	60	135 Å²	135	62%	0.619	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-88.5	132.7	167	0	0	0	0	0	111.3	T603	T603-G605 PolarHBondContact O-N 3.21Å
606	P	31.1	Very low	30.8	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-77.7	154.5	-176.9	31.1	-35.4	0	0	0	113.8
607	T	31.2	Very low	29.8	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.5	137.2	-170.9	-32.4	0	0	0	0	114.8
608	V	27.4	Very low	29.3	Very low	138 Å²	138	142.3 Å²	142.3	84%	0.836	80%	0.8	S	S	*	*			trans	-134.9	138.2	158.7	-178.2	0	0	0	0	109
609	K	29.8	Very low	29.2	Very low	190 Å²	190	141 Å²	141	83%	0.826	80%	0.804	S	S	*	*			trans	-88.4	143.9	177	-64.3	-177.3	174.6	-169.5	0	111.8
610	S	25.6	Very low	29.2	Very low	121 Å²	121	144.3 Å²	144.3	85%	0.846	81%	0.81	S	S	*	*			trans	-151	140	141.4	-56.5	0	0	0	0	109.3
611	E	26.5	Very low	29.2	Very low	186 Å²	186	147.7 Å²	147.7	87%	0.869	82%	0.817	S	S	*	*			trans	-99.9	148	165.3	-64.6	161.2	116.1	0	0	108.5
612	E	26.4	Very low	28.7	Very low	186 Å²	186	150.6 Å²	150.6	87%	0.869	82%	0.821	S	S	*	*			trans	-175.8	110.3	134	-104.1	170.3	-156	0	0	112
613	T	23.3	Very low	28.4	Very low	123 Å²	123	146.7 Å²	146.7	76%	0.755	82%	0.819	S	S	*	*			trans	16.6	127.8	133.5	-4.6	0	0	0	0	117.8
614	T	22.3	Very low	28.2	Very low	131 Å²	131	147.6 Å²	147.6	80%	0.804	82%	0.824	S	S	*	*				-164.3	167.8	67.7	32.4	0	0	0	0	116.4
615	T	23.6	Very low	28	Very low	127 Å²	127	147 Å²	147	78%	0.779	82%	0.817	S	S	*	*			trans	-74.5	-178.1	177	44.9	0	0	0	0	115.5
616	P	33	Very low	28	Very low	109 Å²	109	149.7 Å²	149.7	71%	0.708	83%	0.825	S	S	*	*			cis	-135.7	-177.5	-22.1	27.5	-4	0	0	0	116
617	Y	26.5	Very low	27.8	Very low	211 Å²	211	147.2 Å²	147.2	83%	0.827	82%	0.822	S	S	*	*			trans	-5.8	153.4	154.2	-70.9	-85.4	0	0	0	122.4
618	P	29.3	Very low	27.9	Very low	127 Å²	127	149 Å²	149	83%	0.825	82%	0.821	S	S	*	*				-124.9	172.2	111.4	38.5	-34.3	0	0	0	114.3
619	T	27.3	Very low	28.1	Very low	122 Å²	122	149.6 Å²	149.6	75%	0.748	82%	0.819	S	S	*	*			trans	-113.4	167.2	-173.6	48.9	0	0	0	0	114.7
620	E	32.8	Very low	28.1	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	82%	0.824	S	S	*	*			trans	-29.5	151.2	171.8	-61.5	156	179.8	0	0	119.7
621	E	28.7	Very low	28.3	Very low	204 Å²	204	146.5 Å²	146.5	95%	0.953	82%	0.82	S	S	*	*			trans	-153.7	151.1	130.4	-124.6	173.9	-153.7	0	0	109.9
622	E	28.9	Very low	28.9	Very low	196 Å²	196	146.6 Å²	146.6	92%	0.916	82%	0.818	S	S	*	*			trans	-96.6	150.6	-164.5	-56	176.2	114.9	0	0	115.1
623	A	27.4	Very low	29.3	Very low	93 Å²	93	145 Å²	145	77%	0.769	81%	0.81	S	S	*	*			trans	-159.7	82.1	165.9	0	0	0	0	0	116.1
624	T	28.8	Very low	30	Very low	140 Å²	140	145 Å²	145	86%	0.859	81%	0.806	S	S	*	*			trans	64	140.9	140.2	-29.6	0	0	0	0	122.1
625	E	28.6	Very low	30.8	Very low	173 Å²	173	146.9 Å²	146.9	81%	0.808	81%	0.811	S	S	*	*			trans	-66	171.6	171.4	-44	165.2	94.9	0	0	113.1
626	C	29.3	Very low	31.8	Very low	118 Å²	118	146.5 Å²	146.5	80%	0.797	80%	0.798	S	S	*	*			cis	-155	160.6	8.8	-156.4	0	0	0	0	111.1
627	G	28.1	Very low	32.3	Very low	73 Å²	73	144.9 Å²	144.9	75%	0.753	78%	0.784	S	S	*	*			trans	177.8	107.7	172.2	0	0	0	0	0	112.6
628	E	31.9	Very low	33.5	Very low	178 Å²	178	139 Å²	139	83%	0.832	77%	0.766	S	S	*	*			trans	-72.8	157	-161.4	-63.4	171.5	117.1	0	0	116.3
629	N	32.9	Very low	34.7	Very low	149 Å²	149	140.4 Å²	140.4	80%	0.797	76%	0.762	S	S	*	*			trans	73.9	55.9	161.7	-63.1	-17.8	0	0	0	118.9
630	C	29.7	Very low	36.3	Very low	138 Å²	138	138.1 Å²	138.1	93%	0.932	75%	0.745	S	S	*	*			trans	-138.8	95.7	140.2	-90.7	0	0	0	0	111.2
631	S	30.2	Very low	37.9	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	71%	0.713	S	S	*	*			trans	-140.1	141.7	163	56.6	0	0	0	0	109.3
632	F	38.3	Very low	39.7	Very low	188 Å²	188	126.8 Å²	126.8	83%	0.825	71%	0.707	S	S	*	*			trans	-67.8	152	159.6	-81.4	-133.3	0	0	0	107.9
633	E	34.8	Very low	41.7	Very low	152 Å²	152	118.9 Å²	118.9	71%	0.71	68%	0.679	S	S	*	*			trans	-107.1	105.2	146.4	-62.8	-167.5	98.7	0	0	104.4	K636	E633-K636 IonicContact OE1-NZ 2.77Å; E633-K636 PolarHBondContact OE1-NZ 2.77Å
634	D	36.8	Very low	44.4	Very low	125 Å²	125	114.6 Å²	114.6	67%	0.668	64%	0.643	S	S	*	*				78.8	122.3	66.9	-79.4	-13.3	0	0	0	113.2	K636	D634-K636 PolarHBondContact O-N 2.82Å
635	D	40.3	Very low	47	Very low	170 Å²	170	112 Å²	112	91%	0.909	62%	0.623	S	S	*	*			trans	-64.3	93.4	174.4	-75.1	-64.5	0	0	0	111.2
636	K	43.5	Very low	49.7	Very low	118 Å²	118	104.2 Å²	104.2	51%	0.513	59%	0.589	S	S	.	*			trans	-98.1	13.4	-179	-80.4	179.1	176	174.5	0	114.9	E633 D634	E633-K636 IonicContact OE1-NZ 2.77Å; E633-K636 PolarHBondContact OE1-NZ 2.77Å; D634-K636 PolarHBondContact O-N 2.82Å
637	D	45.3	Very low	52.1	Low	76 Å²	76	100.9 Å²	100.9	41%	0.406	56%	0.563	S	S	.	*	S	Bend	trans	-101.4	8.5	-161	-73.1	-51.8	0	0	0	116.8	R711	D637-R711 IonicContact OD1-CZ 2.79Å; D637-R711 IonicContact OD1-NE 2.76Å; D637-R711 PolarHBondContact OD1-NE 2.89Å; D637-R711 IonicContact OD1-NH1 3.62Å; D637-R711 IonicContact OD1-NH2 3.46Å; D637-R711 PolarHBondContact OD1-NH2 3.08Å; D637-R711 IonicContact OD2-CZ 2.74Å; D637-R711 IonicContact OD2-NH1 3.55Å; D637-R711 PolarHBondContact OD2-NH1 3.26Å; D637-R711 IonicContact OD2-NH2 3.65Å; D637-R711 PolarHBondContact OD2-NH2 2.87Å
638	L	51.7	Low	54.6	Low	87 Å²	87	97.6 Å²	97.6	46%	0.455	53%	0.528	S	S	.	.			trans	-139.6	67.1	168.5	-134.1	98.7	0	0	0	111.9	L640	L638-L640 VanDerWaalsContact C-N 3.27Å; L638-L640 HydrophobicContact CD2-CD1 4.16Å; L638-L640 HydrophobicContact CD2-CG 4.17Å; L638-L640 PolarHBondContact O-N 2.9Å
639	Q	54.6	Low	56.4	Low	157 Å²	157	90.6 Å²	90.6	73%	0.734	50%	0.496	S	S	*	.			trans	-73.1	79	173.8	-72.4	-168.5	-40.9	0	0	111.5
640	L	60.2	Low	57.9	Low	74 Å²	74	90.9 Å²	90.9	39%	0.387	49%	0.491	S	S	.	.			trans	-65.5	130.1	169	-70.5	170.2	0	0	0	109.9	L638 S642 I791	L638-L640 VanDerWaalsContact C-N 3.27Å; L638-L640 HydrophobicContact CD2-CD1 4.16Å; L638-L640 HydrophobicContact CD2-CG 4.17Å; L638-L640 PolarHBondContact O-N 2.9Å; L640-S642 PolarHBondContact O-N 3.02Å; L640-I791 HydrophobicContact CD2-CB 4.28Å; L640-I791 HydrophobicContact CD2-CD1 3.6Å; L640-I791 HydrophobicContact CD2-CG2 3.95Å
641	P	66.3	Low	59.1	Low	29 Å²	29	91.5 Å²	91.5	19%	0.188	48%	0.484	C	S	.	.			trans	-65.8	130.3	-177.8	-20.1	32.2	0	0	0	111.8	G643 F644 P705 P706 V707	P641-G643 PolarHBondContact O-N 2.87Å; P641-G643 VanDerWaalsContact O-N 3.1Å; P641-F644 HydrophobicContact CB-CB 4.3Å; P641-F644 WeakPolarHBondContact O-CB 3.43Å; P641-F644 PolarHBondContact O-N 2.63Å; P641-P705 HydrophobicContact CB-CB 3.76Å; P641-P705 HydrophobicContact CB-CG 4.48Å; P641-P705 HydrophobicContact CG-CB 4.38Å; P641-P706 WeakPolarHBondContact CG-O 3.48Å; P641-V707 HydrophobicContact CG-CG2 4.25Å
642	S	65.4	Low	60.3	Low	120 Å²	120	95.6 Å²	95.6	84%	0.839	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	115.2	173.1	56.3	0	0	0	0	110.2	L640	L640-S642 PolarHBondContact O-N 3.02Å
643	G	71.8	Confident	61.4	Low	31 Å²	31	94 Å²	94	32%	0.32	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	10.1	-176.7	0	0	0	0	0	115.8	P641 G656	P641-G643 PolarHBondContact O-N 2.87Å; P641-G643 VanDerWaalsContact O-N 3.1Å; G643-G656 PolarHBondContact O-N 2.52Å; G643-G656 VanDerWaalsContact O-N 3.12Å
644	F	83.8	Confident	62.6	Low	2 Å²	2	88.9 Å²	88.9	1%	0.009	47%	0.466	C	S	.	.			trans	-68.8	-40.9	168.1	-170	-79.2	0	0	0	112	P641 W657 V707 M716 L761 I791	P641-F644 HydrophobicContact CB-CB 4.3Å; P641-F644 WeakPolarHBondContact O-CB 3.43Å; P641-F644 PolarHBondContact O-N 2.63Å; F644-W657 HydrophobicContact CD1-CZ2 4.41Å; F644-W657 HydrophobicContact CD2-CZ2 4.36Å; F644-W657 AromaticContact CE1-CZ2 3.95Å; F644-W657 HydrophobicContact CE1-CZ2 3.95Å; F644-W657 HydrophobicContact CE2-CH2 4.36Å; F644-W657 AromaticContact CE2-CZ2 3.92Å; F644-W657 HydrophobicContact CE2-CZ2 3.92Å; F644-W657 HydrophobicContact CZ-CH2 4.12Å; F644-W657 AromaticContact CZ-CZ2 3.7Å; F644-W657 HydrophobicContact CZ-CZ2 3.7Å; F644-W657 PolarHBondContact O-NE1 2.8Å; F644-V707 HydrophobicContact CD2-CG2 3.58Å; F644-V707 HydrophobicContact CE2-CG2 3.33Å; F644-V707 HydrophobicContact CZ-CG2 4.3Å; F644-M716 HydrophobicContact CE1-CG 4.18Å; F644-M716 HydrophobicContact CE1-SD 3.79Å; F644-M716 HydrophobicContact CZ-SD 3.72Å; F644-L761 HydrophobicContact CZ-CD1 4.16Å; F644-I791 HydrophobicContact CD1-CD1 3.62Å; F644-I791 HydrophobicContact CD1-CG1 3.84Å; F644-I791 HydrophobicContact CE1-CD1 3.6Å; F644-I791 HydrophobicContact CE1-CG1 3.61Å; F644-I791 HydrophobicContact CG-CD1 4.2Å; F644-I791 HydrophobicContact CZ-CD1 4.13Å; F644-I791 HydrophobicContact CZ-CG1 4.43Å
645	N	84.5	Confident	64.2	Low	85 Å²	85	84.2 Å²	84.2	46%	0.455	44%	0.443	S	S	.	.	S	Bend	trans	-75.7	132.7	174	-68.9	4.9	0	0	0	109.8	I789 R790 I791	N645-I789 CarbonylContact C-O 3.55Å; N645-I789 WeakPolarHBondContact CA-O 3.23Å; N645-R790 HydrophobicContact CB-CB 4.28Å; N645-R790 WeakPolarHBondContact OD1-CA 3.24Å; N645-I791 PolarHBondContact OD1-N 3.45Å
646	C	84.1	Confident	66	Low	11 Å²	11	78.1 Å²	78.1	7%	0.074	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-157	129.8	-168.8	-170.2	0	0	0	0	114.9	F648 C655 D788 I789	C646-F648 HydrophobicContact CB-CZ 4.46Å; C646-F648 VanDerWaalsContact SG-CD1 3.51Å; C646-F648 WeakPolarHBondContact SG-CE1 3.39Å; C646-F648 PolarHBondContact SG-N 3.34Å; C646-F648 VanDerWaalsContact SG-N 3.45Å; C646-C655 HydrophobicContact CB-CB 3.4Å; C646-C655 VanDerWaalsContact CB-CB 3.4Å; C646-C655 WeakPolarHBondContact CB-SG 3.13Å; C646-C655 WeakPolarHBondContact SG-CB 3.43Å; C646-C655 CovalentContact SG-SG 2Å; C646-C655 PolarHBondContact SG-SG 3.09Å; C646-D788 CarbonylContact O-C 3.58Å; C646-D788 WeakPolarHBondContact O-CA 3.25Å; C646-D788 PolarHBondContact O-N 2.79Å; C646-I789 PolarHBondContact N-O 3.46Å; C646-I789 PolarHBondContact O-N 2.86Å
647	N	80	Confident	68.1	Low	48 Å²	48	72.7 Å²	72.7	26%	0.257	40%	0.396	S	S	.	.			trans	-119	21.1	173.5	70.4	-35.2	0	0	0	112.7	D649	N647-D649 PolarHBondContact ND2-OD2 3.14Å; N647-D649 PolarHBondContact O-N 3.21Å
648	F	80	Confident	69.9	Low	3 Å²	3	75.2 Å²	75.2	1%	0.013	41%	0.407	C	S	.	.	S	Bend	trans	47.7	6.4	177	-56.9	-75.1	0	0	0	119.6	C646 F650 R666 L687 L702 I789	C646-F648 HydrophobicContact CB-CZ 4.46Å; C646-F648 VanDerWaalsContact SG-CD1 3.51Å; C646-F648 WeakPolarHBondContact SG-CE1 3.39Å; C646-F648 PolarHBondContact SG-N 3.34Å; C646-F648 VanDerWaalsContact SG-N 3.45Å; F648-F650 PolarHBondContact O-N 2.82Å; F648-R666 WeakPolarHBondContact O-CD 3.43Å; F648-R666 PolarHBondContact O-NH1 2.9Å; F648-L687 HydrophobicContact CD1-CD1 3.72Å; F648-L687 HydrophobicContact CD1-CG 3.77Å; F648-L687 HydrophobicContact CD2-CG 4.4Å; F648-L687 HydrophobicContact CE1-CD1 3.35Å; F648-L687 HydrophobicContact CE1-CG 3.93Å; F648-L687 HydrophobicContact CE2-CD1 4.33Å; F648-L687 HydrophobicContact CG-CD1 4.36Å; F648-L687 HydrophobicContact CG-CG 4.03Å; F648-L687 HydrophobicContact CZ-CD1 3.7Å; F648-L687 HydrophobicContact CZ-CG 4.32Å; F648-L702 HydrophobicContact CZ-CD2 4.25Å; F648-I789 HydrophobicContact CE2-CD1 4.03Å; F648-I789 HydrophobicContact CE2-CG1 4.26Å; F648-I789 HydrophobicContact CZ-CD1 3.85Å
649	D	71.3	Confident	71.4	Confident	32 Å²	32	72.4 Å²	72.4	17%	0.171	39%	0.391	C	S	.	.			trans	-71.4	-28.6	-170.7	-89.6	-21.2	0	0	0	116.4	N647 L651 R684 N685	N647-D649 PolarHBondContact ND2-OD2 3.14Å; N647-D649 PolarHBondContact O-N 3.21Å; D649-L651 PolarHBondContact O-N 3.41Å; D649-R684 WeakPolarHBondContact OD1-CB 3.38Å; D649-N685 PolarHBondContact O-ND2 2.97Å; D649-N685 PolarHBondContact OD1-N 3.19Å
650	F	63.4	Low	72.5	Confident	155 Å²	155	67.8 Å²	67.8	68%	0.68	37%	0.371	S	S	*	.			trans	-77.1	119.1	-171.9	-69.8	-85.8	0	0	0	111.5	F648 E652 E653 R666	F648-F650 PolarHBondContact O-N 2.82Å; F650-E652 VanDerWaalsContact C-N 3.34Å; F650-E652 PolarHBondContact O-N 3.02Å; F650-E653 VanDerWaalsContact O-O 3.1Å; F650-R666 PolarHBondContact O-NH1 2.88Å
651	L	54.5	Low	72.9	Confident	150 Å²	150	70.2 Å²	70.2	79%	0.785	38%	0.38	S	S	*	.	S	Bend	trans	-68.8	-23.9	-169.8	-79	164.3	0	0	0	115.2	D649	D649-L651 PolarHBondContact O-N 3.41Å
652	E	56.4	Low	72.7	Confident	194 Å²	194	73 Å²	73	91%	0.907	41%	0.406	S	S	*	.	S	Bend	trans	-100.2	-28.5	-170.2	-60.6	-165.4	149	0	0	113.9	F650	F650-E652 VanDerWaalsContact C-N 3.34Å; F650-E652 PolarHBondContact O-N 3.02Å
653	E	59.8	Low	73.1	Confident	154 Å²	154	70.6 Å²	70.6	72%	0.72	38%	0.38	S	S	*	.			trans	-135.1	135.8	173.3	-64.9	-171.2	153.2	0	0	109.8	F650	F650-E653 VanDerWaalsContact O-O 3.1Å
654	P	61	Low	73.1	Confident	46 Å²	46	69.3 Å²	69.3	30%	0.299	37%	0.366	S	S	.	.			trans	-63.5	142.3	151.7	32.6	-31.8	0	0	0	108.1	Y659	P654-Y659 HydrophobicContact CB-CE1 3.87Å; P654-Y659 HydrophobicContact CG-CE1 4.4Å
655	C	71.4	Confident	72.6	Confident	27 Å²	27	73.5 Å²	73.5	18%	0.182	39%	0.388	C	S	.	.			trans	-37.1	154.3	149.5	57.4	0	0	0	0	111.2	C646 W657	C646-C655 HydrophobicContact CB-CB 3.4Å; C646-C655 VanDerWaalsContact CB-CB 3.4Å; C646-C655 WeakPolarHBondContact CB-SG 3.13Å; C646-C655 WeakPolarHBondContact SG-CB 3.43Å; C646-C655 CovalentContact SG-SG 2Å; C646-C655 PolarHBondContact SG-SG 3.09Å; C655-W657 PolarHBondContact O-N 2.94Å; C655-W657 VanDerWaalsContact SG-CD1 3.59Å
656	G	76.8	Confident	71.6	Confident	41 Å²	41	72.7 Å²	72.7	42%	0.423	38%	0.378	S	S	.	.	S	Bend	trans	-59.2	5.2	-164.8	0	0	0	0	0	118.3	G643	G643-G656 PolarHBondContact O-N 2.52Å; G643-G656 VanDerWaalsContact O-N 3.12Å
657	W	87.2	Confident	70.7	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.015	39%	0.385	C	S	.	.			trans	-64.7	138.8	164.7	-65	78.3	0	0	0	113	F644 C655 L702 I703 S704 I770 F772 I789	F644-W657 HydrophobicContact CD1-CZ2 4.41Å; F644-W657 HydrophobicContact CD2-CZ2 4.36Å; F644-W657 AromaticContact CE1-CZ2 3.95Å; F644-W657 HydrophobicContact CE1-CZ2 3.95Å; F644-W657 HydrophobicContact CE2-CH2 4.36Å; F644-W657 AromaticContact CE2-CZ2 3.92Å; F644-W657 HydrophobicContact CE2-CZ2 3.92Å; F644-W657 HydrophobicContact CZ-CH2 4.12Å; F644-W657 AromaticContact CZ-CZ2 3.7Å; F644-W657 HydrophobicContact CZ-CZ2 3.7Å; F644-W657 PolarHBondContact O-NE1 2.8Å; C655-W657 PolarHBondContact O-N 2.94Å; C655-W657 VanDerWaalsContact SG-CD1 3.59Å; W657-L702 HydrophobicContact CB-CD1 3.85Å; W657-L702 HydrophobicContact CD2-CD1 4.46Å; W657-L702 HydrophobicContact CE3-CD1 4.03Å; W657-L702 HydrophobicContact CE3-CG 3.86Å; W657-L702 HydrophobicContact CG-CD1 4.44Å; W657-L702 HydrophobicContact CZ3-CG 4.46Å; W657-I703 CarbonylContact C-O 3.59Å; W657-I703 WeakPolarHBondContact CA-O 3.29Å; W657-I703 VanDerWaalsContact CE3-C 3.43Å; W657-S704 VanDerWaalsContact CE3-CA 3.44Å; W657-S704 VanDerWaalsContact CE3-N 3.33Å; W657-S704 VanDerWaalsContact CH2-CB 3.47Å; W657-I770 HydrophobicContact CH2-CB 4.26Å; W657-I770 HydrophobicContact CH2-CG2 4.1Å; W657-I770 WeakPolarHBondContact CZ3-O 3.45Å; W657-F772 HydrophobicContact CH2-CD2 4.09Å; W657-F772 AromaticContact CH2-CE2 3.74Å; W657-F772 HydrophobicContact CH2-CE2 3.74Å; W657-F772 AromaticContact CZ3-CD2 3.75Å; W657-F772 HydrophobicContact CZ3-CD2 3.75Å; W657-F772 AromaticContact CZ3-CE2 3.89Å; W657-F772 HydrophobicContact CZ3-CE2 3.89Å; W657-I789 HydrophobicContact CD2-CD1 4.43Å; W657-I789 HydrophobicContact CH2-CD1 4.3Å; W657-I789 HydrophobicContact CH2-CG2 4.09Å; W657-I789 HydrophobicContact CZ2-CB 4.4Å; W657-I789 HydrophobicContact CZ2-CD1 4.18Å; W657-I789 HydrophobicContact CZ2-CG2 3.56Å; W657-I789 HydrophobicContact CZ3-CD1 4.46Å
658	M	84.4	Confident	69.6	Low	130 Å²	130	76.2 Å²	76.2	64%	0.64	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	132	177.5	-60.4	178.4	68.1	0	0	111.1	L702 I703	M658-L702 WeakPolarHBondContact O-CA 3.42Å; M658-I703 PolarHBondContact N-O 2.81Å; M658-I703 PolarHBondContact O-N 3.1Å
659	Y	82.5	Confident	68.3	Low	27 Å²	27	81.6 Å²	81.6	11%	0.106	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.5	176.1	62	-98	0	0	0	113.9	P654 H661 W664 R666 L687 L702	P654-Y659 HydrophobicContact CB-CE1 3.87Å; P654-Y659 HydrophobicContact CG-CE1 4.4Å; Y659-H661 AromaticContact CD2-CE1 3.79Å; Y659-H661 AromaticContact CD2-ND1 3.51Å; Y659-H661 AromaticContact CE2-CD2 3.84Å; Y659-H661 AromaticContact CE2-CE1 3.3Å; Y659-H661 WeakPolarHBondContact CE2-CE1 3.39Å; Y659-H661 AromaticContact CE2-CG 3.68Å; Y659-H661 AromaticContact CE2-ND1 3.34Å; Y659-H661 VanDerWaalsContact CE2-ND1 3.34Å; Y659-H661 WeakPolarHBondContact CE2-ND1 3.49Å; Y659-H661 AromaticContact CE2-NE2 3.61Å; Y659-H661 AromaticContact CZ-CE1 3.57Å; Y659-H661 AromaticContact CZ-NE2 3.72Å; Y659-H661 PolarHBondContact O-N 3.16Å; Y659-H661 PolarHBondContact O-ND1 2.93Å; Y659-W664 HydrophobicContact CD2-CB 3.83Å; Y659-W664 HydrophobicContact CG-CB 4.33Å; Y659-R666 PolarHBondContact OH-NH2 2.59Å; Y659-R666 VanDerWaalsContact OH-NH2 3.08Å; Y659-L687 HydrophobicContact CD1-CD1 3.86Å; Y659-L687 HydrophobicContact CD1-CD2 4.47Å; Y659-L687 HydrophobicContact CD2-CD2 4.47Å; Y659-L687 HydrophobicContact CE1-CD1 4.03Å; Y659-L687 HydrophobicContact CE1-CD2 4.03Å; Y659-L687 HydrophobicContact CE2-CD2 4.05Å; Y659-L687 HydrophobicContact CG-CD1 4.29Å; Y659-L702 HydrophobicContact CD1-CD1 3.97Å; Y659-L702 HydrophobicContact CG-CD1 4.38Å
660	D	77.9	Confident	67.1	Low	60 Å²	60	84.1 Å²	84.1	32%	0.321	45%	0.447	S	S	.	.			trans	-73.2	101.7	174.5	-176.1	-6.7	0	0	0	110.8	A662 K663 W664	D660-A662 PolarHBondContact O-N 2.98Å; D660-A662 VanDerWaalsContact O-N 3.16Å; D660-A662 WeakPolarHBondContact OD1-CB 3.37Å; D660-A662 PolarHBondContact OD1-N 3.24Å; D660-K663 PolarHBondContact O-N 3.38Å; D660-K663 VanDerWaalsContact OD2-CD 3.27Å; D660-K663 WeakPolarHBondContact OD2-CD 3.38Å; D660-K663 WeakPolarHBondContact OD2-CE 3.25Å; D660-K663 IonicContact OD2-NZ 3.26Å; D660-K663 PolarHBondContact OD2-NZ 2.81Å; D660-W664 PolarHBondContact O-N 2.77Å
661	H	67.8	Low	66.1	Low	125 Å²	125	82.2 Å²	82.2	58%	0.579	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	-178.2	-71.9	54.5	0	0	0	113.8	Y659 K663	Y659-H661 AromaticContact CD2-CE1 3.79Å; Y659-H661 AromaticContact CD2-ND1 3.51Å; Y659-H661 AromaticContact CE2-CD2 3.84Å; Y659-H661 AromaticContact CE2-CE1 3.3Å; Y659-H661 WeakPolarHBondContact CE2-CE1 3.39Å; Y659-H661 AromaticContact CE2-CG 3.68Å; Y659-H661 AromaticContact CE2-ND1 3.34Å; Y659-H661 VanDerWaalsContact CE2-ND1 3.34Å; Y659-H661 WeakPolarHBondContact CE2-ND1 3.49Å; Y659-H661 AromaticContact CE2-NE2 3.61Å; Y659-H661 AromaticContact CZ-CE1 3.57Å; Y659-H661 AromaticContact CZ-NE2 3.72Å; Y659-H661 PolarHBondContact O-N 3.16Å; Y659-H661 PolarHBondContact O-ND1 2.93Å; H661-K663 VanDerWaalsContact C-N 3.3Å
662	A	62.2	Low	65.2	Low	88 Å²	88	80.7 Å²	80.7	73%	0.727	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.3	173.8	0	0	0	0	0	113.1	D660	D660-A662 PolarHBondContact O-N 2.98Å; D660-A662 VanDerWaalsContact O-N 3.16Å; D660-A662 WeakPolarHBondContact OD1-CB 3.37Å; D660-A662 PolarHBondContact OD1-N 3.24Å
663	K	73.4	Confident	64	Low	70 Å²	70	76.9 Å²	76.9	30%	0.304	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-45.5	-177.4	-59.3	-178.3	-169.2	140.2	0	113.6	D660 H661 L665 L689 Y699 A700	D660-K663 PolarHBondContact O-N 3.38Å; D660-K663 VanDerWaalsContact OD2-CD 3.27Å; D660-K663 WeakPolarHBondContact OD2-CD 3.38Å; D660-K663 WeakPolarHBondContact OD2-CE 3.25Å; D660-K663 IonicContact OD2-NZ 3.26Å; D660-K663 PolarHBondContact OD2-NZ 2.81Å; H661-K663 VanDerWaalsContact C-N 3.3Å; K663-L665 PolarHBondContact O-N 3.25Å; K663-L689 HydrophobicContact CB-CD1 3.99Å; K663-L689 VanDerWaalsContact O-CD1 3.32Å; K663-L689 WeakPolarHBondContact O-CD1 3.45Å; K663-Y699 WeakPolarHBondContact CD-O 3.31Å; K663-Y699 WeakPolarHBondContact CE-O 3.48Å; K663-Y699 PolarHBondContact NZ-O 3Å; K663-A700 HydrophobicContact CB-CB 3.77Å; K663-A700 HydrophobicContact CD-CB 3.87Å
664	W	73.4	Confident	63.1	Low	3 Å²	3	75.6 Å²	75.6	1%	0.011	46%	0.458	C	S	.	.	S	Bend	trans	-85	104.3	170.7	-73.9	113.1	0	0	0	108.7	Y659 D660 L687 L689 A700 R701 I784 I786	Y659-W664 HydrophobicContact CD2-CB 3.83Å; Y659-W664 HydrophobicContact CG-CB 4.33Å; D660-W664 PolarHBondContact O-N 2.77Å; W664-L687 HydrophobicContact CB-CD2 4.46Å; W664-L687 HydrophobicContact CE3-CB 4.13Å; W664-L689 HydrophobicContact CD2-CB 4.2Å; W664-L689 HydrophobicContact CE3-CB 3.71Å; W664-L689 HydrophobicContact CH2-CB 3.87Å; W664-L689 HydrophobicContact CH2-CD2 4.47Å; W664-L689 HydrophobicContact CZ2-CB 4.35Å; W664-L689 HydrophobicContact CZ2-CD2 4.42Å; W664-L689 HydrophobicContact CZ3-CB 3.53Å; W664-A700 HydrophobicContact CG-CB 4.38Å; W664-A700 VanDerWaalsContact NE1-CB 3.35Å; W664-R701 PolarHBondContact NE1-O 3.21Å; W664-I784 HydrophobicContact CH2-CB 4.44Å; W664-I784 HydrophobicContact CH2-CG2 4.09Å; W664-I786 HydrophobicContact CH2-CD1 3.49Å; W664-I786 VanDerWaalsContact CH2-CD1 3.49Å; W664-I786 HydrophobicContact CH2-CG1 4.04Å; W664-I786 HydrophobicContact CZ2-CD1 3.98Å; W664-I786 HydrophobicContact CZ3-CD1 4.1Å; W664-I786 HydrophobicContact CZ3-CG1 4.26Å
665	L	72.9	Confident	62.1	Low	91 Å²	91	77 Å²	77	48%	0.476	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.3	177.2	-59.7	175.8	0	0	0	109.1	K663 T667 R688	K663-L665 PolarHBondContact O-N 3.25Å; L665-T667 PolarHBondContact O-OG1 3.46Å; L665-R688 PolarHBondContact N-O 2.79Å; L665-R688 VanDerWaalsContact O-CB 3.31Å; L665-R688 WeakPolarHBondContact O-CB 3.45Å; L665-R688 PolarHBondContact O-N 3.41Å
666	R	63.6	Low	60.7	Low	67 Å²	67	84.2 Å²	84.2	25%	0.253	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.1	171	-159.7	-177.1	-60.7	-171.2	11.4	109.2	F648 F650 Y659 N685 F686 L687	F648-R666 WeakPolarHBondContact O-CD 3.43Å; F648-R666 PolarHBondContact O-NH1 2.9Å; F650-R666 PolarHBondContact O-NH1 2.88Å; Y659-R666 PolarHBondContact OH-NH2 2.59Å; Y659-R666 VanDerWaalsContact OH-NH2 3.08Å; R666-N685 HydrophobicContact CG-CB 4.07Å; R666-F686 CarbonylContact C-O 3.59Å; R666-F686 WeakPolarHBondContact CA-O 3.2Å; R666-F686 WeakPolarHBondContact CG-O 3.39Å; R666-L687 HydrophobicContact CB-CD2 4.15Å; R666-L687 HydrophobicContact CG-CD2 4.33Å
667	T	64	Low	58.8	Low	34 Å²	34	88 Å²	88	21%	0.209	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.6	-170.5	-55.1	0	0	0	0	110.9	L665 F686 R688	L665-T667 PolarHBondContact O-OG1 3.46Å; T667-F686 HydrophobicContact CG2-CE1 4.25Å; T667-F686 HydrophobicContact CG2-CE2 4.42Å; T667-F686 HydrophobicContact CG2-CZ 3.86Å; T667-F686 PolarHBondContact N-O 2.58Å; T667-F686 WeakPolarHBondContact O-CD1 3.43Å; T667-F686 PolarHBondContact O-N 3.26Å; T667-F686 VanDerWaalsContact O-N 3.1Å; T667-R688 VanDerWaalsContact OG1-CD 3.32Å; T667-R688 WeakPolarHBondContact OG1-CD 3.45Å
668	T	57.5	Low	56.7	Low	99 Å²	99	99.4 Å²	99.4	61%	0.607	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.7	141.4	173.5	53.6	0	0	0	0	111.4	R684 N685	T668-R684 WeakPolarHBondContact CA-O 3.24Å; T668-N685 WeakPolarHBondContact CG2-OD1 3.36Å
669	W	53.9	Low	54.8	Low	116 Å²	116	98.1 Å²	98.1	44%	0.439	56%	0.557	S	S	.	*			trans	-65	136.7	178.5	-156.1	-69.6	0	0	0	112.4	P681 W754	W669-P681 HydrophobicContact CZ3-CG 4.13Å; W669-W754 AromaticContact CH2-CD1 3.67Å; W669-W754 AromaticContact CH2-NE1 3.46Å; W669-W754 AromaticContact CZ3-CD1 3.86Å; W669-W754 AromaticContact CZ3-NE1 3.27Å; W669-W754 VanDerWaalsContact CZ3-NE1 3.27Å
670	A	44.6	Very low	53.2	Low	85 Å²	85	102.4 Å²	102.4	70%	0.702	58%	0.576	S	S	*	*			trans	-97.5	107.9	175	0	0	0	0	0	110.5	S672	A670-S672 PolarHBondContact O-N 3.29Å
671	S	42.9	Very low	51.7	Low	116 Å²	116	100.3 Å²	100.3	81%	0.811	57%	0.566	S	S	*	*			trans	-74.4	115.3	-168.5	52	0	0	0	0	114.1
672	S	35.7	Very low	51	Low	117 Å²	117	100.4 Å²	100.4	82%	0.818	57%	0.571	S	S	*	*			trans	-153.4	23.2	168.1	63.5	0	0	0	0	118.6	A670	A670-S672 PolarHBondContact O-N 3.29Å
673	S	31.6	Very low	50.6	Low	115 Å²	115	102.4 Å²	102.4	80%	0.804	57%	0.569	S	S	*	*			trans	-162.7	129.2	156.5	49.4	0	0	0	0	112.6
674	S	40.5	Very low	50.1	Low	126 Å²	126	107.7 Å²	107.7	88%	0.881	59%	0.587	S	S	*	*			trans	-77.7	129.8	178.2	-56.6	0	0	0	0	112.6
675	P	39.7	Very low	50	Low	76 Å²	76	108.3 Å²	108.3	49%	0.494	59%	0.591	S	S	.	*			trans	-92.1	155.2	163.8	35.5	-30.8	0	0	0	111.5	F680	P675-F680 HydrophobicContact CB-CD2 3.95Å; P675-F680 HydrophobicContact CB-CE2 3.46Å; P675-F680 VanDerWaalsContact CB-CE2 3.46Å; P675-F680 HydrophobicContact CB-CZ 4.06Å; P675-F680 HydrophobicContact CG-CD2 3.77Å; P675-F680 HydrophobicContact CG-CE2 3.78Å; P675-F680 HydrophobicContact CG-CG 4.37Å; P675-F680 HydrophobicContact CG-CZ 4.37Å
676	N	43.2	Very low	50.5	Low	179 Å²	179	104.8 Å²	104.8	96%	0.957	57%	0.572	S	S	*	*			trans	-121.9	62.8	168.8	-144.5	21.2	0	0	0	108
677	D	35.4	Very low	51.5	Low	120 Å²	120	101.6 Å²	101.6	64%	0.642	56%	0.56	S	S	*	*	S	Bend	trans	-154.6	158.7	164.9	-146.5	-20.3	0	0	0	111.6	T679	D677-T679 PolarHBondContact O-N 2.93Å
678	R	44.4	Very low	52.5	Low	243 Å²	243	102.6 Å²	102.6	92%	0.917	56%	0.56	S	S	*	*	S	Bend	trans	-95.7	53.4	-171.9	-72.8	-178.2	164.2	-174.9	-6.4	113
679	T	42.8	Very low	53.9	Low	104 Å²	104	97.9 Å²	97.9	64%	0.638	53%	0.531	S	S	*	.			trans	-137.5	23.6	-172.7	43.1	0	0	0	0	113.9	D677	D677-T679 PolarHBondContact O-N 2.93Å
680	F	48.8	Very low	55.3	Low	116 Å²	116	95.3 Å²	95.3	51%	0.509	52%	0.524	S	S	.	.	S	Bend	trans	-116.5	149.3	175.7	-68.8	-89.2	0	0	0	110.8	P675	P675-F680 HydrophobicContact CB-CD2 3.95Å; P675-F680 HydrophobicContact CB-CE2 3.46Å; P675-F680 VanDerWaalsContact CB-CE2 3.46Å; P675-F680 HydrophobicContact CB-CZ 4.06Å; P675-F680 HydrophobicContact CG-CD2 3.77Å; P675-F680 HydrophobicContact CG-CE2 3.78Å; P675-F680 HydrophobicContact CG-CG 4.37Å; P675-F680 HydrophobicContact CG-CZ 4.37Å
681	P	48.1	Very low	57	Low	17 Å²	17	91.5 Å²	91.5	11%	0.11	49%	0.492	C	S	.	.			trans	-61.5	164	171.7	25.3	-32.7	0	0	0	112.3	W669	W669-P681 HydrophobicContact CZ3-CG 4.13Å
682	D	51.9	Low	58.2	Low	126 Å²	126	91.3 Å²	91.3	67%	0.674	48%	0.482	S	S	*	.			trans	-70.1	152.9	179.1	-117.5	-43.2	0	0	0	112.6	R684	D682-R684 VanDerWaalsContact C-N 3.32Å; D682-R684 PolarHBondContact O-N 3.22Å
683	D	54.7	Low	59.4	Low	130 Å²	130	89.5 Å²	89.5	70%	0.695	47%	0.469	S	S	*	.	S	Bend	trans	-84.5	33.1	-143.1	-160.4	21.7	0	0	0	115.8
684	R	62.7	Low	60.7	Low	181 Å²	181	90 Å²	90	68%	0.683	46%	0.459	S	S	*	.	S	Bend	trans	-135.2	-68.2	-167.1	-66.9	-178.6	-167.1	-151.7	-2.8	119.1	D649 T668 D682	D649-R684 WeakPolarHBondContact OD1-CB 3.38Å; T668-R684 WeakPolarHBondContact CA-O 3.24Å; D682-R684 VanDerWaalsContact C-N 3.32Å; D682-R684 PolarHBondContact O-N 3.22Å
685	N	71.8	Confident	61.5	Low	16 Å²	16	95.3 Å²	95.3	9%	0.086	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.9	-173.8	-58.5	-97.9	0	0	0	116.6	D649 R666 T668	D649-N685 PolarHBondContact O-ND2 2.97Å; D649-N685 PolarHBondContact OD1-N 3.19Å; R666-N685 HydrophobicContact CG-CB 4.07Å; T668-N685 WeakPolarHBondContact CG2-OD1 3.36Å
686	F	82.3	Confident	62.6	Low	18 Å²	18	98.7 Å²	98.7	8%	0.079	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	166.1	171.8	62.8	-88.9	0	0	0	113.4	R666 T667 R688 W754 A785 D787	R666-F686 CarbonylContact C-O 3.59Å; R666-F686 WeakPolarHBondContact CA-O 3.2Å; R666-F686 WeakPolarHBondContact CG-O 3.39Å; T667-F686 HydrophobicContact CG2-CE1 4.25Å; T667-F686 HydrophobicContact CG2-CE2 4.42Å; T667-F686 HydrophobicContact CG2-CZ 3.86Å; T667-F686 PolarHBondContact N-O 2.58Å; T667-F686 WeakPolarHBondContact O-CD1 3.43Å; T667-F686 PolarHBondContact O-N 3.26Å; T667-F686 VanDerWaalsContact O-N 3.1Å; F686-R688 HydrophobicContact CD2-CB 4.18Å; F686-R688 HydrophobicContact CE2-CB 3.87Å; F686-R688 HydrophobicContact CE2-CG 4.01Å; F686-W754 HydrophobicContact CB-CH2 3.82Å; F686-W754 HydrophobicContact CB-CZ2 4.14Å; F686-W754 HydrophobicContact CD1-CZ2 4.06Å; F686-W754 AromaticContact CD2-CH2 3.92Å; F686-W754 HydrophobicContact CD2-CH2 3.92Å; F686-W754 AromaticContact CD2-CZ2 3.91Å; F686-W754 HydrophobicContact CD2-CZ2 3.91Å; F686-W754 HydrophobicContact CE1-CZ2 4.42Å; F686-W754 HydrophobicContact CE2-CZ2 4.25Å; F686-W754 AromaticContact CG-CH2 3.89Å; F686-W754 HydrophobicContact CG-CH2 3.89Å; F686-W754 AromaticContact CG-CZ2 3.79Å; F686-W754 HydrophobicContact CG-CZ2 3.79Å; F686-W754 HydrophobicContact CZ-CZ2 4.5Å; F686-A785 HydrophobicContact CD2-CB 3.75Å; F686-A785 HydrophobicContact CE2-CB 3.86Å; F686-D787 HydrophobicContact CB-CB 4.11Å; F686-D787 WeakPolarHBondContact CB-OD2 3.46Å
687	L	84.9	Confident	63.8	Low	0 Å²	0	91.6 Å²	91.6	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.9	171.5	-75.2	-178.5	0	0	0	111.9	F648 Y659 W664 R666 L702 A785 I786	F648-L687 HydrophobicContact CD1-CD1 3.72Å; F648-L687 HydrophobicContact CD1-CG 3.77Å; F648-L687 HydrophobicContact CD2-CG 4.4Å; F648-L687 HydrophobicContact CE1-CD1 3.35Å; F648-L687 HydrophobicContact CE1-CG 3.93Å; F648-L687 HydrophobicContact CE2-CD1 4.33Å; F648-L687 HydrophobicContact CG-CD1 4.36Å; F648-L687 HydrophobicContact CG-CG 4.03Å; F648-L687 HydrophobicContact CZ-CD1 3.7Å; F648-L687 HydrophobicContact CZ-CG 4.32Å; Y659-L687 HydrophobicContact CD1-CD1 3.86Å; Y659-L687 HydrophobicContact CD1-CD2 4.47Å; Y659-L687 HydrophobicContact CD2-CD2 4.47Å; Y659-L687 HydrophobicContact CE1-CD1 4.03Å; Y659-L687 HydrophobicContact CE1-CD2 4.03Å; Y659-L687 HydrophobicContact CE2-CD2 4.05Å; Y659-L687 HydrophobicContact CG-CD1 4.29Å; W664-L687 HydrophobicContact CB-CD2 4.46Å; W664-L687 HydrophobicContact CE3-CB 4.13Å; R666-L687 HydrophobicContact CB-CD2 4.15Å; R666-L687 HydrophobicContact CG-CD2 4.33Å; L687-L702 HydrophobicContact CD1-CD1 3.92Å; L687-L702 HydrophobicContact CD1-CD2 3.99Å; L687-A785 CarbonylContact O-C 3.6Å; L687-A785 VanDerWaalsContact O-CA 3.23Å; L687-A785 WeakPolarHBondContact O-CA 3.49Å; L687-I786 PolarHBondContact N-O 3.32Å; L687-I786 VanDerWaalsContact N-O 3.14Å; L687-I786 PolarHBondContact O-N 2.83Å
688	R	85.8	Confident	65.9	Low	54 Å²	54	88.2 Å²	88.2	20%	0.204	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.8	-172.8	-166.3	-178.5	-173.6	-128.8	-10.1	112.3	L665 T667 F686 E783 I784	L665-R688 PolarHBondContact N-O 2.79Å; L665-R688 VanDerWaalsContact O-CB 3.31Å; L665-R688 WeakPolarHBondContact O-CB 3.45Å; L665-R688 PolarHBondContact O-N 3.41Å; T667-R688 VanDerWaalsContact OG1-CD 3.32Å; T667-R688 WeakPolarHBondContact OG1-CD 3.45Å; F686-R688 HydrophobicContact CD2-CB 4.18Å; F686-R688 HydrophobicContact CE2-CB 3.87Å; F686-R688 HydrophobicContact CE2-CG 4.01Å; R688-E783 HydrophobicContact CG-CG 4.22Å; R688-E783 IonicContact CZ-OE1 2.71Å; R688-E783 IonicContact CZ-OE2 3.17Å; R688-E783 VanDerWaalsContact NE-CD 3.26Å; R688-E783 IonicContact NE-OE1 3.32Å; R688-E783 PolarHBondContact NE-OE1 3.06Å; R688-E783 IonicContact NE-OE2 3.64Å; R688-E783 IonicContact NH2-OE1 3.43Å; R688-E783 PolarHBondContact NH2-OE1 3.11Å; R688-E783 IonicContact NH2-OE2 2.77Å; R688-E783 PolarHBondContact NH2-OE2 2.78Å; R688-I784 CarbonylContact C-O 3.59Å; R688-I784 WeakPolarHBondContact CA-O 3.33Å
689	L	85.5	Confident	67.9	Low	1 Å²	1	81.6 Å²	81.6	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.1	171.1	177.8	68.4	0	0	0	108.2	K663 W664 Q698 A700 I776 E783 I784	K663-L689 HydrophobicContact CB-CD1 3.99Å; K663-L689 VanDerWaalsContact O-CD1 3.32Å; K663-L689 WeakPolarHBondContact O-CD1 3.45Å; W664-L689 HydrophobicContact CD2-CB 4.2Å; W664-L689 HydrophobicContact CE3-CB 3.71Å; W664-L689 HydrophobicContact CH2-CB 3.87Å; W664-L689 HydrophobicContact CH2-CD2 4.47Å; W664-L689 HydrophobicContact CZ2-CB 4.35Å; W664-L689 HydrophobicContact CZ2-CD2 4.42Å; W664-L689 HydrophobicContact CZ3-CB 3.53Å; L689-Q698 HydrophobicContact CD1-CB 4.19Å; L689-Q698 HydrophobicContact CG-CB 4.49Å; L689-A700 HydrophobicContact CD1-CB 3.81Å; L689-A700 HydrophobicContact CD2-CB 4.08Å; L689-I776 HydrophobicContact CD2-CD1 4.29Å; L689-I776 HydrophobicContact CG-CD1 4.06Å; L689-E783 CarbonylContact O-C 3.57Å; L689-E783 VanDerWaalsContact O-CA 3.29Å; L689-E783 WeakPolarHBondContact O-CA 3.4Å; L689-I784 HydrophobicContact CB-CB 4.46Å; L689-I784 HydrophobicContact CD2-CD1 4.45Å; L689-I784 PolarHBondContact N-O 2.85Å; L689-I784 PolarHBondContact O-N 3.07Å
690	Q	84.2	Confident	70	Confident	62 Å²	62	76.7 Å²	76.7	29%	0.29	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.3	-176.5	-174.1	-178.1	-13	0	0	111.8	D692	Q690-D692 PolarHBondContact NE2-OD1 3.05Å; Q690-D692 PolarHBondContact NE2-OD2 3.27Å
691	S	79.7	Confident	71.9	Confident	4 Å²	4	74.1 Å²	74.1	3%	0.028	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.5	168.9	174.6	0	0	0	0	110.8	S693 R780 S781 G782	S691-S693 VanDerWaalsContact C-N 3.34Å; S691-S693 PolarHBondContact O-N 2.73Å; S691-R780 PolarHBondContact OG-O 2.95Å; S691-S781 WeakPolarHBondContact O-CA 3.42Å; S691-G782 PolarHBondContact N-O 3.06Å; S691-G782 PolarHBondContact O-N 3.29Å; S691-G782 VanDerWaalsContact O-N 3.14Å
692	D	68.5	Low	74	Confident	112 Å²	112	73.3 Å²	73.3	60%	0.599	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	50.3	175.2	-65.3	-29.2	0	0	0	111.8	Q690	Q690-D692 PolarHBondContact NE2-OD1 3.05Å; Q690-D692 PolarHBondContact NE2-OD2 3.27Å
693	S	61.8	Low	75.8	Confident	80 Å²	80	69.2 Å²	69.2	56%	0.559	32%	0.323	S	S	*	.	S	Bend	trans	63.2	36.7	176.9	71.7	0	0	0	0	116.7	S691	S691-S693 VanDerWaalsContact C-N 3.34Å; S691-S693 PolarHBondContact O-N 2.73Å
694	Q	58.5	Low	77.6	Confident	124 Å²	124	63 Å²	63	58%	0.579	29%	0.29	S	S	*	.			trans	-67.2	157.5	172.8	-64.3	-164.5	9.4	0	0	112.7	E696 G779	Q694-E696 PolarHBondContact O-N 3.06Å; Q694-G779 VanDerWaalsContact O-CA 3.26Å; Q694-G779 WeakPolarHBondContact O-CA 3.48Å; Q694-G779 PolarHBondContact O-N 2.87Å
695	R	57.3	Low	78.8	Confident	238 Å²	238	55.1 Å²	55.1	90%	0.898	26%	0.262	S	S	*	.	S	Bend	trans	-69	-16.6	179.4	-72.1	-175.5	175.2	-178	-1.3	113.6
696	E	61.4	Low	79.5	Confident	147 Å²	147	57.3 Å²	57.3	69%	0.687	28%	0.278	S	S	*	.	S	Bend	trans	-105	152.7	173.6	-58.2	-169	150.4	0	0	109.3	Q694	Q694-E696 PolarHBondContact O-N 3.06Å
697	G	69.8	Low	79.6	Confident	30 Å²	30	56.5 Å²	56.5	31%	0.309	27%	0.274	S	S	.	.			trans	-98.5	146.1	-177	0	0	0	0	0	110	I776	G697-I776 CarbonylContact C-O 3.6Å; G697-I776 VanDerWaalsContact CA-O 3.24Å; G697-I776 WeakPolarHBondContact CA-O 2.97Å
698	Q	79.4	Confident	79.5	Confident	49 Å²	49	60.2 Å²	60.2	23%	0.229	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.6	179.8	-67.2	-64.3	-5.6	0	0	111.4	L689 V775 I776	L689-Q698 HydrophobicContact CD1-CB 4.19Å; L689-Q698 HydrophobicContact CG-CB 4.49Å; Q698-V775 WeakPolarHBondContact O-CA 3.37Å; Q698-I776 HydrophobicContact CB-CB 4.26Å; Q698-I776 HydrophobicContact CB-CD1 4.43Å; Q698-I776 PolarHBondContact N-O 3Å; Q698-I776 PolarHBondContact O-N 3.5Å
699	Y	85.6	Confident	79.3	Confident	104 Å²	104	58.1 Å²	58.1	41%	0.408	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	120.2	170.7	168.4	-96.9	0	0	0	108.8	K663 R701 E773 G774 V775	K663-Y699 WeakPolarHBondContact CD-O 3.31Å; K663-Y699 WeakPolarHBondContact CE-O 3.48Å; K663-Y699 PolarHBondContact NZ-O 3Å; Y699-R701 HydrophobicContact CE1-CG 3.98Å; Y699-R701 WeakPolarHBondContact OH-CD 3.37Å; Y699-R701 WeakPolarHBondContact OH-CG 3.33Å; Y699-R701 PolarHBondContact OH-NE 3.45Å; Y699-R701 VanDerWaalsContact OH-NE 3.14Å; Y699-E773 HydrophobicContact CE2-CB 4.24Å; Y699-E773 PolarHBondContact OH-OE1 2.72Å; Y699-G774 WeakPolarHBondContact CA-O 3.22Å; Y699-V775 HydrophobicContact CD2-CG2 4.15Å
700	A	86.9	Confident	78.4	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.7	-176.7	0	0	0	0	0	111.1	K663 W664 L689 E773 G774	K663-A700 HydrophobicContact CB-CB 3.77Å; K663-A700 HydrophobicContact CD-CB 3.87Å; W664-A700 HydrophobicContact CG-CB 4.38Å; W664-A700 VanDerWaalsContact NE1-CB 3.35Å; L689-A700 HydrophobicContact CD1-CB 3.81Å; L689-A700 HydrophobicContact CD2-CB 4.08Å; A700-E773 WeakPolarHBondContact O-CA 3.4Å; A700-G774 PolarHBondContact N-O 2.98Å; A700-G774 PolarHBondContact O-N 2.66Å
701	R	90.1	Very high	77.5	Confident	63 Å²	63	65.9 Å²	65.9	24%	0.238	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.8	179.5	-49.5	-176.8	98.9	-146.2	9.7	110.1	W664 Y699 I703 E735 V771 F772 E773	W664-R701 PolarHBondContact NE1-O 3.21Å; Y699-R701 HydrophobicContact CE1-CG 3.98Å; Y699-R701 WeakPolarHBondContact OH-CD 3.37Å; Y699-R701 WeakPolarHBondContact OH-CG 3.33Å; Y699-R701 PolarHBondContact OH-NE 3.45Å; Y699-R701 VanDerWaalsContact OH-NE 3.14Å; R701-I703 HydrophobicContact CB-CD1 4.42Å; R701-I703 HydrophobicContact CB-CG1 4.24Å; R701-E735 IonicContact CZ-OE1 2.7Å; R701-E735 IonicContact CZ-OE2 2.82Å; R701-E735 IonicContact NH1-OE1 2.81Å; R701-E735 IonicContact NH1-OE2 2.88Å; R701-E735 PolarHBondContact NH1-OE2 3.32Å; R701-E735 IonicContact NH2-OE1 3.23Å; R701-E735 PolarHBondContact NH2-OE1 3.3Å; R701-E735 IonicContact NH2-OE2 3.57Å; R701-E735 PolarHBondContact NH2-OE2 3.01Å; R701-V771 HydrophobicContact CB-CG1 4.11Å; R701-F772 CarbonylContact C-O 3.59Å; R701-F772 WeakPolarHBondContact CA-O 3.46Å; R701-E773 HydrophobicContact CG-CG 4.44Å; R701-E773 IonicContact CZ-OE1 2.98Å; R701-E773 VanDerWaalsContact CZ-OE1 3.3Å; R701-E773 IonicContact NE-OE1 2.96Å; R701-E773 PolarHBondContact NE-OE1 3.27Å; R701-E773 IonicContact NH2-OE1 3.3Å; R701-E773 PolarHBondContact NH2-OE1 2.95Å
702	L	90.8	Very high	77.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115	171.8	163.7	68.3	0	0	0	106.4	F648 W657 M658 Y659 L687 V771 F772 I786 I789	F648-L702 HydrophobicContact CZ-CD2 4.25Å; W657-L702 HydrophobicContact CB-CD1 3.85Å; W657-L702 HydrophobicContact CD2-CD1 4.46Å; W657-L702 HydrophobicContact CE3-CD1 4.03Å; W657-L702 HydrophobicContact CE3-CG 3.86Å; W657-L702 HydrophobicContact CG-CD1 4.44Å; W657-L702 HydrophobicContact CZ3-CG 4.46Å; M658-L702 WeakPolarHBondContact O-CA 3.42Å; Y659-L702 HydrophobicContact CD1-CD1 3.97Å; Y659-L702 HydrophobicContact CG-CD1 4.38Å; L687-L702 HydrophobicContact CD1-CD1 3.92Å; L687-L702 HydrophobicContact CD1-CD2 3.99Å; L702-V771 CarbonylContact O-C 3.51Å; L702-V771 WeakPolarHBondContact O-CA 3.45Å; L702-F772 HydrophobicContact CB-CB 4.16Å; L702-F772 HydrophobicContact CD2-CB 4.35Å; L702-F772 HydrophobicContact CD2-CD2 4.45Å; L702-F772 PolarHBondContact N-O 2.95Å; L702-F772 PolarHBondContact O-N 3.37Å; L702-I786 HydrophobicContact CD2-CD1 4.12Å; L702-I786 HydrophobicContact CD2-CG2 4.43Å; L702-I789 HydrophobicContact CD2-CD1 4.11Å
703	I	90.6	Very high	77.8	Confident	39 Å²	39	64.9 Å²	64.9	20%	0.2	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	-162.9	-58.8	170.2	0	0	0	109.6	W657 M658 R701 Q769 V771	W657-I703 CarbonylContact C-O 3.59Å; W657-I703 WeakPolarHBondContact CA-O 3.29Å; W657-I703 VanDerWaalsContact CE3-C 3.43Å; M658-I703 PolarHBondContact N-O 2.81Å; M658-I703 PolarHBondContact O-N 3.1Å; R701-I703 HydrophobicContact CB-CD1 4.42Å; R701-I703 HydrophobicContact CB-CG1 4.24Å; I703-Q769 HydrophobicContact CG2-CB 4.22Å; I703-V771 HydrophobicContact CB-CG2 4.47Å; I703-V771 HydrophobicContact CG1-CG1 3.94Å; I703-V771 HydrophobicContact CG1-CG2 4.06Å; I703-V771 HydrophobicContact CG2-CG2 4.21Å
704	S	91.8	Very high	79	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.007	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-74.9	165.8	-177.6	77.9	0	0	0	0	114	W657 Q769 I770	W657-S704 VanDerWaalsContact CE3-CA 3.44Å; W657-S704 VanDerWaalsContact CE3-N 3.33Å; W657-S704 VanDerWaalsContact CH2-CB 3.47Å; S704-Q769 PolarHBondContact O-NE2 3.2Å; S704-I770 WeakPolarHBondContact CB-O 3.42Å; S704-I770 PolarHBondContact N-O 2.98Å; S704-I770 PolarHBondContact OG-N 2.97Å
705	P	88.3	Confident	80.4	Confident	15 Å²	15	56.1 Å²	56.1	10%	0.097	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-52	154.7	154	-23	33.6	0	0	0	111.7	P641 V707	P641-P705 HydrophobicContact CB-CB 3.76Å; P641-P705 HydrophobicContact CB-CG 4.48Å; P641-P705 HydrophobicContact CG-CB 4.38Å; P705-V707 PolarHBondContact O-N 2.84Å
706	P	85.8	Confident	82	Confident	62 Å²	62	44.8 Å²	44.8	40%	0.403	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-59.5	133.2	171.2	-21	33.1	0	0	0	111.4	P641 E767	P641-P706 WeakPolarHBondContact CG-O 3.48Å; P706-E767 HydrophobicContact CB-CB 4.33Å; P706-E767 HydrophobicContact CB-CG 4.45Å
707	V	85.4	Confident	83.3	Confident	1 Å²	1	38 Å²	38	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133	-179.8	176.2	0	0	0	0	109.1	P641 F644 P705 L709 E767 Y768	P641-V707 HydrophobicContact CG-CG2 4.25Å; F644-V707 HydrophobicContact CD2-CG2 3.58Å; F644-V707 HydrophobicContact CE2-CG2 3.33Å; F644-V707 HydrophobicContact CZ-CG2 4.3Å; P705-V707 PolarHBondContact O-N 2.84Å; V707-L709 HydrophobicContact CG1-CD1 3.76Å; V707-L709 HydrophobicContact CG1-CG 3.8Å; V707-E767 WeakPolarHBondContact O-CA 3.25Å; V707-Y768 HydrophobicContact CB-CD2 4.36Å; V707-Y768 HydrophobicContact CB-CE2 4.15Å; V707-Y768 HydrophobicContact CG1-CE2 4.21Å; V707-Y768 PolarHBondContact N-O 2.91Å; V707-Y768 PolarHBondContact O-N 3.02Å
708	H	83.4	Confident	84.3	Confident	78 Å²	78	36.6 Å²	36.6	36%	0.361	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.7	172.8	-173.7	49.4	0	0	0	110.1	D765 E767	H708-D765 PolarHBondContact CE1-O 3.17Å; H708-E767 HydrophobicContact CB-CG 4.12Å
709	L	80.6	Confident	84.7	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	71.6	-176.7	-71.1	172.5	0	0	0	110.4	V707 R711 V714 L761 S763 Y764	V707-L709 HydrophobicContact CG1-CD1 3.76Å; V707-L709 HydrophobicContact CG1-CG 3.8Å; L709-R711 VanDerWaalsContact C-N 3.31Å; L709-R711 PolarHBondContact O-N 3.42Å; L709-V714 HydrophobicContact CD1-CG1 4.35Å; L709-V714 HydrophobicContact CD1-CG2 3.66Å; L709-V714 HydrophobicContact CD2-CG1 4.05Å; L709-L761 HydrophobicContact CD1-CB 4.21Å; L709-S763 CarbonylContact O-C 3.58Å; L709-S763 WeakPolarHBondContact O-CA 3.39Å; L709-S763 VanDerWaalsContact O-CB 3.29Å; L709-S763 WeakPolarHBondContact O-CB 3.3Å; L709-Y764 CarbonylContact C-O 3.49Å; L709-Y764 PolarHBondContact O-N 3.11Å
710	P	66.1	Low	84.9	Confident	56 Å²	56	31.4 Å²	31.4	36%	0.364	16%	0.16	S	C	.	.	S	Bend	trans	-75.1	-13.8	-171.5	29.3	-35.6	0	0	0	114.6
711	R	65	Low	84.9	Confident	171 Å²	171	32.4 Å²	32.4	65%	0.645	16%	0.164	S	C	*	.	S	Bend	trans	-113.2	-39.7	-170.8	-66.6	-171.6	-178.4	-177.6	9.6	115.7	D637 L709	D637-R711 IonicContact OD1-CZ 2.79Å; D637-R711 IonicContact OD1-NE 2.76Å; D637-R711 PolarHBondContact OD1-NE 2.89Å; D637-R711 IonicContact OD1-NH1 3.62Å; D637-R711 IonicContact OD1-NH2 3.46Å; D637-R711 PolarHBondContact OD1-NH2 3.08Å; D637-R711 IonicContact OD2-CZ 2.74Å; D637-R711 IonicContact OD2-NH1 3.55Å; D637-R711 PolarHBondContact OD2-NH1 3.26Å; D637-R711 IonicContact OD2-NH2 3.65Å; D637-R711 PolarHBondContact OD2-NH2 2.87Å; L709-R711 VanDerWaalsContact C-N 3.31Å; L709-R711 PolarHBondContact O-N 3.42Å
712	S	71.9	Confident	84.7	Confident	51 Å²	51	29.5 Å²	29.5	36%	0.357	15%	0.153	S	C	.	.			trans	-150.3	140.8	-172.7	53.9	0	0	0	0	111.6
713	P	84.5	Confident	84.3	Confident	44 Å²	44	31 Å²	31	29%	0.286	16%	0.163	S	C	.	.			trans	-66.6	155.7	168.1	30.3	-34.8	0	0	0	111	I760 L761 L797	P713-I760 HydrophobicContact CB-CG2 3.68Å; P713-I760 HydrophobicContact CG-CG2 4.49Å; P713-L761 CarbonylContact C-O 3.44Å; P713-L761 WeakPolarHBondContact CA-O 3.46Å; P713-L761 WeakPolarHBondContact CB-O 3.5Å; P713-L797 HydrophobicContact CB-CD2 4.48Å; P713-L797 HydrophobicContact CG-CD1 3.91Å; P713-L797 HydrophobicContact CG-CD2 4.5Å
714	V	86.5	Confident	83.4	Confident	17 Å²	17	30.4 Å²	30.4	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.1	178.7	-57	0	0	0	0	111.1	L709 L761 I791	L709-V714 HydrophobicContact CD1-CG1 4.35Å; L709-V714 HydrophobicContact CD1-CG2 3.66Å; L709-V714 HydrophobicContact CD2-CG1 4.05Å; V714-L761 HydrophobicContact CG2-CB 3.98Å; V714-L761 HydrophobicContact CG2-CD1 4.11Å; V714-L761 HydrophobicContact CG2-CG 4.31Å; V714-L761 PolarHBondContact N-O 2.69Å; V714-L761 VanDerWaalsContact N-O 3.1Å; V714-L761 PolarHBondContact O-N 3.31Å; V714-I791 HydrophobicContact CB-CG2 4.05Å; V714-I791 HydrophobicContact CG2-CD1 4.22Å; V714-I791 HydrophobicContact CG2-CG1 4.22Å; V714-I791 HydrophobicContact CG2-CG2 3.72Å
715	C	87.7	Confident	82.4	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.9	173.2	-165.6	0	0	0	0	111.1	I791 S792 V795 C800	C715-I791 CarbonylContact O-C 3.48Å; C715-I791 WeakPolarHBondContact O-CA 3.1Å; C715-S792 PolarHBondContact O-N 3.04Å; C715-V795 HydrophobicContact CB-CB 4.37Å; C715-C800 WeakPolarHBondContact CA-SG 3.34Å; C715-C800 HydrophobicContact CB-CB 3.74Å; C715-C800 WeakPolarHBondContact CB-SG 3.09Å; C715-C800 WeakPolarHBondContact SG-CB 3.38Å; C715-C800 CovalentContact SG-SG 2.03Å; C715-C800 PolarHBondContact SG-SG 3.39Å
716	M	90.1	Very high	81.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.7	165.9	-170.7	-170.8	95.5	0	0	109.6	F644 F718 R758 I759 L761 I770 F772 I789 R790 I791	F644-M716 HydrophobicContact CE1-CG 4.18Å; F644-M716 HydrophobicContact CE1-SD 3.79Å; F644-M716 HydrophobicContact CZ-SD 3.72Å; M716-F718 HydrophobicContact CE-CD1 3.62Å; M716-F718 HydrophobicContact CE-CE1 4.09Å; M716-R758 CarbonylContact O-C 3.6Å; M716-R758 WeakPolarHBondContact O-CA 3.47Å; M716-I759 HydrophobicContact CB-CG1 3.98Å; M716-I759 HydrophobicContact CE-CD1 3.57Å; M716-I759 HydrophobicContact CE-CG1 3.96Å; M716-I759 PolarHBondContact N-O 2.94Å; M716-I759 PolarHBondContact O-N 3.48Å; M716-I759 HydrophobicContact SD-CD1 4.37Å; M716-L761 HydrophobicContact CB-CD1 3.93Å; M716-L761 HydrophobicContact CB-CD2 3.94Å; M716-L761 HydrophobicContact CB-CG 3.75Å; M716-L761 HydrophobicContact CG-CD1 4.42Å; M716-L761 HydrophobicContact SD-CD1 4.21Å; M716-L761 HydrophobicContact SD-CD2 4.03Å; M716-I770 HydrophobicContact CE-CG2 4.42Å; M716-I770 HydrophobicContact SD-CG2 4.37Å; M716-F772 HydrophobicContact CE-CE2 3.81Å; M716-F772 HydrophobicContact CE-CZ 3.56Å; M716-I789 HydrophobicContact CE-CG2 4.02Å; M716-I789 HydrophobicContact CG-CG2 4.33Å; M716-I789 HydrophobicContact SD-CG2 3.98Å; M716-R790 CarbonylContact C-O 3.43Å; M716-R790 VanDerWaalsContact CA-O 3.3Å; M716-R790 WeakPolarHBondContact CA-O 3.45Å; M716-R790 WeakPolarHBondContact CG-O 3.32Å; M716-I791 HydrophobicContact CB-CG1 4.45Å; M716-I791 HydrophobicContact CG-CG1 4.44Å
717	E	89.6	Confident	80.6	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	152.8	175.3	-52.9	-169.6	92.4	0	0	109.7	H756 G757 R758 I789 R790 S792	E717-H756 IonicContact OE1-CD2 3.7Å; E717-H756 IonicContact OE1-CE1 3.24Å; E717-H756 IonicContact OE1-NE2 3.94Å; E717-H756 PolarHBondContact OE1-NE2 3.05Å; E717-G757 CarbonylContact C-O 3.45Å; E717-G757 VanDerWaalsContact CA-O 3.31Å; E717-G757 WeakPolarHBondContact CA-O 3.17Å; E717-R758 HydrophobicContact CG-CG 4.04Å; E717-R758 IonicContact OE1-CZ 2.79Å; E717-R758 IonicContact OE1-NE 2.75Å; E717-R758 PolarHBondContact OE1-NE 2.69Å; E717-R758 IonicContact OE1-NH2 3.93Å; E717-I789 CarbonylContact O-C 3.55Å; E717-I789 WeakPolarHBondContact O-CA 3.38Å; E717-R790 HydrophobicContact CB-CG 4.06Å; E717-R790 PolarHBondContact N-O 2.89Å; E717-R790 PolarHBondContact O-N 2.88Å; E717-R790 IonicContact OE1-NH2 3.37Å; E717-R790 IonicContact OE2-CZ 2.71Å; E717-R790 VanDerWaalsContact OE2-CZ 3.3Å; E717-R790 IonicContact OE2-NE 3.56Å; E717-R790 PolarHBondContact OE2-NE 3.16Å; E717-R790 IonicContact OE2-NH2 3.62Å; E717-R790 PolarHBondContact OE2-NH2 3.04Å; E717-S792 VanDerWaalsContact OE2-CB 3.28Å; E717-S792 WeakPolarHBondContact OE2-CB 3.33Å; E717-S792 PolarHBondContact OE2-OG 3.29Å
718	F	90.8	Very high	80.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	155.8	171.8	58.1	-88	0	0	0	110.3	M716 Y720 V732 W744 G757 I759 F772 I789	M716-F718 HydrophobicContact CE-CD1 3.62Å; M716-F718 HydrophobicContact CE-CE1 4.09Å; F718-Y720 HydrophobicContact CD2-CD1 4.03Å; F718-Y720 AromaticContact CE2-CD1 3.61Å; F718-Y720 HydrophobicContact CE2-CD1 3.61Å; F718-Y720 HydrophobicContact CE2-CE1 4.38Å; F718-Y720 HydrophobicContact CE2-CG 4.21Å; F718-V732 HydrophobicContact CE1-CG2 4.41Å; F718-V732 HydrophobicContact CZ-CG2 4.16Å; F718-W744 HydrophobicContact CE2-CH2 4.17Å; F718-W744 HydrophobicContact CE2-CZ2 4.39Å; F718-W744 HydrophobicContact CE2-CZ3 4.36Å; F718-W744 HydrophobicContact CZ-CD2 4.08Å; F718-W744 HydrophobicContact CZ-CE3 4.17Å; F718-W744 HydrophobicContact CZ-CH2 4.25Å; F718-W744 HydrophobicContact CZ-CZ2 4.2Å; F718-W744 HydrophobicContact CZ-CZ3 4.25Å; F718-G757 PolarHBondContact N-O 3.01Å; F718-G757 PolarHBondContact O-N 2.85Å; F718-I759 HydrophobicContact CE1-CD1 4.47Å; F718-I759 HydrophobicContact CE1-CG1 4.44Å; F718-I759 HydrophobicContact CE1-CG2 4.01Å; F718-F772 HydrophobicContact CB-CZ 4.2Å; F718-F772 HydrophobicContact CD1-CE1 4.06Å; F718-F772 AromaticContact CD1-CZ 3.8Å; F718-F772 HydrophobicContact CD1-CZ 3.8Å; F718-F772 AromaticContact CD2-CE1 3.72Å; F718-F772 HydrophobicContact CD2-CE1 3.72Å; F718-F772 HydrophobicContact CD2-CZ 4.13Å; F718-F772 HydrophobicContact CE1-CE1 4.09Å; F718-F772 HydrophobicContact CE1-CZ 4.13Å; F718-F772 AromaticContact CE2-CE1 3.76Å; F718-F772 HydrophobicContact CE2-CE1 3.76Å; F718-F772 HydrophobicContact CE2-CZ 4.46Å; F718-F772 AromaticContact CG-CE1 3.87Å; F718-F772 HydrophobicContact CG-CE1 3.87Å; F718-F772 AromaticContact CG-CZ 3.79Å; F718-F772 HydrophobicContact CG-CZ 3.79Å; F718-F772 AromaticContact CZ-CE1 3.94Å; F718-F772 HydrophobicContact CZ-CE1 3.94Å; F718-F772 HydrophobicContact CZ-CZ 4.45Å; F718-I789 HydrophobicContact CB-CB 4.34Å; F718-I789 HydrophobicContact CB-CG1 3.93Å; F718-I789 HydrophobicContact CB-CG2 4.46Å
719	Q	87.6	Confident	80.7	Confident	24 Å²	24	36.9 Å²	36.9	11%	0.112	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146.3	168.1	-64.3	-159.1	58.6	0	0	110.6	W754 K755 I786 D787 D788	Q719-W754 HydrophobicContact CB-CE3 3.96Å; Q719-W754 HydrophobicContact CB-CZ3 4.27Å; Q719-K755 WeakPolarHBondContact CA-O 3.43Å; Q719-I786 WeakPolarHBondContact O-CA 3.4Å; Q719-D787 HydrophobicContact CB-CB 4.37Å; Q719-D787 PolarHBondContact N-O 2.85Å; Q719-D787 PolarHBondContact O-N 2.83Å; Q719-D788 HydrophobicContact CB-CB 4.23Å; Q719-D788 HydrophobicContact CG-CB 3.85Å; Q719-D788 PolarHBondContact NE2-OD2 3.02Å
720	Y	89.6	Confident	81.1	Confident	20 Å²	20	36.5 Å²	36.5	8%	0.078	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.5	176.5	73	-86.1	0	0	0	113.1	F718 W744 I746 Q750 W754 K755 A785	F718-Y720 HydrophobicContact CD2-CD1 4.03Å; F718-Y720 AromaticContact CE2-CD1 3.61Å; F718-Y720 HydrophobicContact CE2-CD1 3.61Å; F718-Y720 HydrophobicContact CE2-CE1 4.38Å; F718-Y720 HydrophobicContact CE2-CG 4.21Å; Y720-W744 HydrophobicContact CD1-CH2 4.02Å; Y720-W744 HydrophobicContact CD1-CZ2 4.17Å; Y720-W744 HydrophobicContact CD2-CH2 4.15Å; Y720-W744 AromaticContact CE1-CH2 3.8Å; Y720-W744 HydrophobicContact CE1-CH2 3.8Å; Y720-W744 AromaticContact CE1-CZ2 3.58Å; Y720-W744 HydrophobicContact CE1-CZ2 3.58Å; Y720-W744 AromaticContact CE2-CH2 3.96Å; Y720-W744 HydrophobicContact CE2-CH2 3.96Å; Y720-W744 HydrophobicContact CE2-CZ2 4.31Å; Y720-W744 HydrophobicContact CG-CH2 4.19Å; Y720-W744 AromaticContact CZ-CH2 3.77Å; Y720-W744 AromaticContact CZ-CZ2 3.65Å; Y720-I746 HydrophobicContact CD2-CD1 3.87Å; Y720-I746 HydrophobicContact CE2-CD1 3.63Å; Y720-Q750 HydrophobicContact CE2-CG 4.37Å; Y720-W754 WeakPolarHBondContact O-CA 3.48Å; Y720-K755 HydrophobicContact CD1-CB 4.31Å; Y720-K755 WeakPolarHBondContact CD1-O 3.47Å; Y720-K755 HydrophobicContact CD2-CB 4.46Å; Y720-K755 HydrophobicContact CE1-CB 3.74Å; Y720-K755 HydrophobicContact CE2-CB 3.89Å; Y720-K755 HydrophobicContact CE2-CG 4.35Å; Y720-K755 PolarHBondContact N-O 3.26Å; Y720-K755 PolarHBondContact O-N 2.91Å; Y720-A785 CarbonylContact C-O 3.47Å; Y720-A785 VanDerWaalsContact CA-O 3.25Å; Y720-A785 WeakPolarHBondContact CA-O 3.47Å
721	Q	87.3	Confident	82.3	Confident	22 Å²	22	35.5 Å²	35.5	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.4	171	-166.4	-165.5	50.8	0	0	108.3	G752 W754 I784 A785	Q721-G752 VanDerWaalsContact NE2-C 3.3Å; Q721-G752 PolarHBondContact NE2-O 2.87Å; Q721-W754 HydrophobicContact CB-CD2 4.27Å; Q721-W754 HydrophobicContact CB-CE3 4.26Å; Q721-I784 CarbonylContact O-C 3.49Å; Q721-I784 WeakPolarHBondContact O-CA 3.37Å; Q721-A785 HydrophobicContact CB-CB 3.99Å; Q721-A785 PolarHBondContact N-O 2.87Å; Q721-A785 PolarHBondContact O-N 2.94Å
722	A	86.2	Confident	83.6	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	119.3	176.8	0	0	0	0	0	112	V728 I746 Q750 E783	A722-V728 HydrophobicContact CB-CG1 4.39Å; A722-I746 HydrophobicContact CB-CD1 3.62Å; A722-Q750 PolarHBondContact O-N 2.77Å; A722-E783 WeakPolarHBondContact CA-O 3.45Å
723	T	81.8	Confident	84.6	Confident	33 Å²	33	25.5 Å²	25.5	20%	0.202	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.9	179.8	65.4	0	0	0	0	112.2	V728 G751 G782 E783	T723-V728 WeakPolarHBondContact O-CG2 3.47Å; T723-G751 WeakPolarHBondContact CG2-O 3.47Å; T723-G782 CarbonylContact O-C 3.57Å; T723-G782 WeakPolarHBondContact O-CA 3.48Å; T723-E783 PolarHBondContact N-O 3.45Å; T723-E783 PolarHBondContact O-N 3.15Å
724	G	72.7	Confident	84.9	Confident	25 Å²	25	23.6 Å²	23.6	26%	0.258	13%	0.13	S	C	.	.	S	Bend	trans	134.2	14.8	178.3	0	0	0	0	0	115.3	D749 S781	G724-D749 PolarHBondContact N-OD2 3.41Å; G724-S781 WeakPolarHBondContact CA-O 3.3Å
725	G	70.2	Confident	85.1	Confident	29 Å²	29	25.5 Å²	25.5	30%	0.299	14%	0.138	S	C	.	.	S	Bend	trans	70.7	-163.4	-178.5	0	0	0	0	0	113.8	G727 V728 D749	G725-G727 PolarHBondContact O-N 3.04Å; G725-V728 PolarHBondContact O-N 2.87Å; G725-D749 PolarHBondContact N-OD2 2.98Å
726	R	65.6	Low	85	Confident	221 Å²	221	26 Å²	26	83%	0.834	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	134.5	179.2	-55.9	-177.1	-167.7	-179.4	3.6	110.2	R780	R726-R780 PolarHBondContact O-NH1 3Å
727	G	71.1	Confident	84.3	Confident	34 Å²	34	31.4 Å²	31.4	35%	0.351	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	13.3	176.5	0	0	0	0	0	115.2	G725 G777	G725-G727 PolarHBondContact O-N 3.04Å; G727-G777 PolarHBondContact O-N 3.46Å
728	V	83.1	Confident	83.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.9	144.8	-179.5	0	0	0	0	107.5	A722 T723 G725 R747 V775 I776 I784	A722-V728 HydrophobicContact CB-CG1 4.39Å; T723-V728 WeakPolarHBondContact O-CG2 3.47Å; G725-V728 PolarHBondContact O-N 2.87Å; V728-R747 CarbonylContact O-C 3.45Å; V728-V775 CarbonylContact C-O 3.57Å; V728-V775 WeakPolarHBondContact CA-O 3.06Å; V728-I776 HydrophobicContact CG2-CG1 4.49Å; V728-I776 HydrophobicContact CG2-CG2 4.3Å; V728-I784 HydrophobicContact CG1-CD1 3.77Å; V728-I784 HydrophobicContact CG1-CG1 3.53Å
729	A	86	Confident	82.7	Confident	9 Å²	9	44.5 Å²	44.5	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	138.7	175	0	0	0	0	0	111.1	I746 R747 V775 I784	A729-I746 VanDerWaalsContact CA-O 3.26Å; A729-I746 WeakPolarHBondContact CA-O 3.49Å; A729-I746 WeakPolarHBondContact CB-O 3.35Å; A729-R747 HydrophobicContact CB-CG 4.32Å; A729-V775 HydrophobicContact CB-CB 4.46Å; A729-V775 PolarHBondContact N-O 3.5Å; A729-V775 PolarHBondContact O-N 3.46Å; A729-I784 VanDerWaalsContact O-CD1 3.25Å; A729-I784 WeakPolarHBondContact O-CD1 3.2Å
730	L	90.3	Very high	82.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.7	167.4	178.2	60.6	0	0	0	107.5	W744 V745 I746 F772 E773 I784 I786	L730-W744 HydrophobicContact CB-CZ3 4.28Å; L730-W744 HydrophobicContact CD2-CZ3 4.13Å; L730-W744 HydrophobicContact CG-CZ3 4.03Å; L730-V745 WeakPolarHBondContact O-CA 3.28Å; L730-I746 HydrophobicContact CB-CD1 4.1Å; L730-I746 HydrophobicContact CB-CG1 3.87Å; L730-I746 PolarHBondContact N-O 3.21Å; L730-I746 PolarHBondContact O-N 2.78Å; L730-F772 HydrophobicContact CD1-CB 4.32Å; L730-F772 HydrophobicContact CD1-CD1 4.23Å; L730-F772 HydrophobicContact CD2-CD1 4.47Å; L730-E773 WeakPolarHBondContact CA-O 3.33Å; L730-I784 HydrophobicContact CB-CD1 4.41Å; L730-I784 HydrophobicContact CB-CG2 4.16Å; L730-I784 HydrophobicContact CD1-CG2 4.22Å; L730-I784 HydrophobicContact CD2-CG2 3.95Å; L730-I784 HydrophobicContact CG-CG2 4.33Å; L730-I786 HydrophobicContact CD1-CD1 3.85Å; L730-I786 HydrophobicContact CD2-CD1 4.1Å; L730-I786 HydrophobicContact CD2-CG1 4.04Å
731	Q	91.9	Very high	82.4	Confident	35 Å²	35	51.8 Å²	51.8	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.8	177.4	61.4	-172.8	27.1	0	0	111.1	V733 L742 W744 V745 F772 E773	Q731-V733 HydrophobicContact CG-CG2 4.42Å; Q731-L742 HydrophobicContact CB-CD1 3.86Å; Q731-W744 CarbonylContact C-O 3.57Å; Q731-W744 WeakPolarHBondContact CA-O 3.24Å; Q731-V745 HydrophobicContact CB-CB 3.97Å; Q731-V745 HydrophobicContact CB-CG2 3.82Å; Q731-F772 WeakPolarHBondContact O-CA 3.04Å; Q731-E773 HydrophobicContact CG-CB 3.86Å; Q731-E773 PolarHBondContact N-O 2.89Å; Q731-E773 PolarHBondContact NE2-OE2 2.7Å; Q731-E773 PolarHBondContact O-N 2.83Å
732	V	92.3	Very high	82.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.1	175.6	-169.1	0	0	0	0	108.9	F718 L743 W744 I759 I770 V771 F772	F718-V732 HydrophobicContact CE1-CG2 4.41Å; F718-V732 HydrophobicContact CZ-CG2 4.16Å; V732-L743 PolarHBondContact O-N 2.93Å; V732-W744 HydrophobicContact CB-CB 4.24Å; V732-W744 HydrophobicContact CG2-CB 4.36Å; V732-W744 HydrophobicContact CG2-CE3 3.96Å; V732-W744 PolarHBondContact N-O 2.86Å; V732-W744 PolarHBondContact O-N 3.05Å; V732-I759 HydrophobicContact CB-CD1 4.27Å; V732-I759 HydrophobicContact CG1-CD1 3.71Å; V732-I770 HydrophobicContact CG1-CG2 3.53Å; V732-V771 CarbonylContact C-O 3.57Å; V732-V771 WeakPolarHBondContact CA-O 3.18Å; V732-F772 HydrophobicContact CG1-CE2 4.45Å; V732-F772 HydrophobicContact CG2-CD1 3.56Å; V732-F772 HydrophobicContact CG2-CE1 3.5Å; V732-F772 HydrophobicContact CG2-CG 4.16Å; V732-F772 HydrophobicContact CG2-CZ 4.07Å
733	V	91	Very high	82.4	Confident	12 Å²	12	57 Å²	57	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.9	-173.8	-176.6	0	0	0	0	109.2	Q731 E735 L742 V771	Q731-V733 HydrophobicContact CG-CG2 4.42Å; V733-E735 HydrophobicContact CG1-CG 4.11Å; V733-L742 HydrophobicContact CG2-CD1 4.06Å; V733-V771 PolarHBondContact N-O 3.34Å; V733-V771 PolarHBondContact O-N 2.89Å
734	R	92.3	Very high	82.9	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.7	166.6	-171	-167.5	77.6	102.2	-3.3	108.9	E739 S740 K741 L743 Y764 Y768 Q769 I770	R734-E739 IonicContact CZ-OE1 2.69Å; R734-E739 IonicContact NH2-OE1 2.84Å; R734-E739 PolarHBondContact NH2-OE1 3.23Å; R734-E739 IonicContact NH2-OE2 3.81Å; R734-E739 PolarHBondContact NH2-OE2 3.03Å; R734-S740 CarbonylContact O-C 3.57Å; R734-S740 WeakPolarHBondContact O-CA 3.01Å; R734-K741 HydrophobicContact CB-CB 4.48Å; R734-K741 PolarHBondContact N-O 2.91Å; R734-K741 PolarHBondContact O-N 2.84Å; R734-L743 HydrophobicContact CB-CD1 4.15Å; R734-L743 HydrophobicContact CB-CD2 4.27Å; R734-L743 HydrophobicContact CB-CG 4.16Å; R734-Y764 VanDerWaalsContact NH1-CD2 3.32Å; R734-Y764 PolarHBondContact NH2-OH 2.83Å; R734-Y768 HydrophobicContact CG-CD1 4.46Å; R734-Y768 HydrophobicContact CG-CD2 3.41Å; R734-Y768 VanDerWaalsContact CG-CD2 3.41Å; R734-Y768 HydrophobicContact CG-CE2 3.8Å; R734-Y768 HydrophobicContact CG-CG 3.76Å; R734-Q769 CarbonylContact C-O 3.56Å; R734-Q769 WeakPolarHBondContact CA-O 3.46Å; R734-I770 HydrophobicContact CB-CD1 4.11Å; R734-I770 HydrophobicContact CG-CD1 4.13Å
735	E	90.8	Very high	83.6	Confident	58 Å²	58	58.4 Å²	58.4	27%	0.271	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.4	174.6	-61	-162.8	137.5	0	0	110.6	R701 V733 Y768 Q769 V771	R701-E735 IonicContact CZ-OE1 2.7Å; R701-E735 IonicContact CZ-OE2 2.82Å; R701-E735 IonicContact NH1-OE1 2.81Å; R701-E735 IonicContact NH1-OE2 2.88Å; R701-E735 PolarHBondContact NH1-OE2 3.32Å; R701-E735 IonicContact NH2-OE1 3.23Å; R701-E735 PolarHBondContact NH2-OE1 3.3Å; R701-E735 IonicContact NH2-OE2 3.57Å; R701-E735 PolarHBondContact NH2-OE2 3.01Å; V733-E735 HydrophobicContact CG1-CG 4.11Å; E735-Y768 CarbonylContact O-C 3.58Å; E735-Y768 WeakPolarHBondContact O-CA 3.49Å; E735-Y768 WeakPolarHBondContact O-CB 3.49Å; E735-Q769 PolarHBondContact N-O 2.86Å; E735-Q769 PolarHBondContact O-N 2.84Å; E735-V771 HydrophobicContact CG-CG2 4.02Å
736	A	85.6	Confident	84.4	Confident	14 Å²	14	58 Å²	58	12%	0.116	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	169.2	166.3	0	0	0	0	0	109.1	Q738 E739 Y764	A736-Q738 PolarHBondContact O-N 3.48Å; A736-E739 PolarHBondContact N-O 2.89Å; A736-E739 PolarHBondContact O-N 2.75Å; A736-Y764 HydrophobicContact CB-CE1 3.77Å
737	S	74	Confident	85.2	Confident	113 Å²	113	54 Å²	54	79%	0.79	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-23.1	-160.7	-45.6	0	0	0	0	117.6
738	Q	68.2	Low	85.1	Confident	203 Å²	203	59.1 Å²	59.1	95%	0.949	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	14.8	170.4	-63.8	-170.4	-8.1	0	0	113.4	A736	A736-Q738 PolarHBondContact O-N 3.48Å
739	E	79.1	Confident	84.8	Confident	77 Å²	77	62.3 Å²	62.3	36%	0.36	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123	-172.6	-166	-151.8	132.9	0	0	110.9	R734 A736 Y764	R734-E739 IonicContact CZ-OE1 2.69Å; R734-E739 IonicContact NH2-OE1 2.84Å; R734-E739 PolarHBondContact NH2-OE1 3.23Å; R734-E739 IonicContact NH2-OE2 3.81Å; R734-E739 PolarHBondContact NH2-OE2 3.03Å; A736-E739 PolarHBondContact N-O 2.89Å; A736-E739 PolarHBondContact O-N 2.75Å; E739-Y764 PolarHBondContact OE2-OH 3.19Å
740	S	85.3	Confident	84.1	Confident	88 Å²	88	64.9 Å²	64.9	62%	0.615	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.1	172.1	57.4	0	0	0	0	110.8	R734	R734-S740 CarbonylContact O-C 3.57Å; R734-S740 WeakPolarHBondContact O-CA 3.01Å
741	K	86.4	Confident	83.3	Confident	109 Å²	109	66.3 Å²	66.3	47%	0.474	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119	-176.6	-175.7	173.8	-177.8	174.9	0	111.1	R734 L743	R734-K741 HydrophobicContact CB-CB 4.48Å; R734-K741 PolarHBondContact N-O 2.91Å; R734-K741 PolarHBondContact O-N 2.84Å; K741-L743 PolarHBondContact O-N 3.3Å
742	L	86.8	Confident	82.3	Confident	86 Å²	86	67.5 Å²	67.5	45%	0.45	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.8	172.7	-174.8	67.2	0	0	0	110.1	Q731 V733 W744 V745	Q731-L742 HydrophobicContact CB-CD1 3.86Å; V733-L742 HydrophobicContact CG2-CD1 4.06Å; L742-W744 WeakPolarHBondContact CD1-O 3Å; L742-V745 HydrophobicContact CD1-CB 4.34Å; L742-V745 HydrophobicContact CD2-CB 4.44Å; L742-V745 HydrophobicContact CD2-CG1 4.04Å
743	L	86.6	Confident	81.6	Confident	45 Å²	45	73.7 Å²	73.7	24%	0.236	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-36.1	175.5	-58.5	-172.8	0	0	0	112.2	V732 R734 K741 I759 L761 I770	V732-L743 PolarHBondContact O-N 2.93Å; R734-L743 HydrophobicContact CB-CD1 4.15Å; R734-L743 HydrophobicContact CB-CD2 4.27Å; R734-L743 HydrophobicContact CB-CG 4.16Å; K741-L743 PolarHBondContact O-N 3.3Å; L743-I759 HydrophobicContact CB-CD1 4.41Å; L743-I759 HydrophobicContact CD1-CD1 4.15Å; L743-L761 HydrophobicContact CD1-CD2 4.12Å; L743-I770 HydrophobicContact CD1-CD1 3.76Å
744	W	91.2	Very high	81.1	Confident	38 Å²	38	74.9 Å²	74.9	14%	0.144	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	151.2	-175.1	-178	98.1	0	0	0	111.5	F718 Y720 L730 Q731 V732 L742 I746 I759	F718-W744 HydrophobicContact CE2-CH2 4.17Å; F718-W744 HydrophobicContact CE2-CZ2 4.39Å; F718-W744 HydrophobicContact CE2-CZ3 4.36Å; F718-W744 HydrophobicContact CZ-CD2 4.08Å; F718-W744 HydrophobicContact CZ-CE3 4.17Å; F718-W744 HydrophobicContact CZ-CH2 4.25Å; F718-W744 HydrophobicContact CZ-CZ2 4.2Å; F718-W744 HydrophobicContact CZ-CZ3 4.25Å; Y720-W744 HydrophobicContact CD1-CH2 4.02Å; Y720-W744 HydrophobicContact CD1-CZ2 4.17Å; Y720-W744 HydrophobicContact CD2-CH2 4.15Å; Y720-W744 AromaticContact CE1-CH2 3.8Å; Y720-W744 HydrophobicContact CE1-CH2 3.8Å; Y720-W744 AromaticContact CE1-CZ2 3.58Å; Y720-W744 HydrophobicContact CE1-CZ2 3.58Å; Y720-W744 AromaticContact CE2-CH2 3.96Å; Y720-W744 HydrophobicContact CE2-CH2 3.96Å; Y720-W744 HydrophobicContact CE2-CZ2 4.31Å; Y720-W744 HydrophobicContact CG-CH2 4.19Å; Y720-W744 AromaticContact CZ-CH2 3.77Å; Y720-W744 AromaticContact CZ-CZ2 3.65Å; L730-W744 HydrophobicContact CB-CZ3 4.28Å; L730-W744 HydrophobicContact CD2-CZ3 4.13Å; L730-W744 HydrophobicContact CG-CZ3 4.03Å; Q731-W744 CarbonylContact C-O 3.57Å; Q731-W744 WeakPolarHBondContact CA-O 3.24Å; V732-W744 HydrophobicContact CB-CB 4.24Å; V732-W744 HydrophobicContact CG2-CB 4.36Å; V732-W744 HydrophobicContact CG2-CE3 3.96Å; V732-W744 PolarHBondContact N-O 2.86Å; V732-W744 PolarHBondContact O-N 3.05Å; L742-W744 WeakPolarHBondContact CD1-O 3Å; W744-I746 HydrophobicContact CH2-CB 4.28Å; W744-I746 HydrophobicContact CH2-CD1 3.99Å; W744-I746 HydrophobicContact CH2-CG1 3.83Å; W744-I746 HydrophobicContact CH2-CG2 3.6Å; W744-I746 HydrophobicContact CZ2-CG2 3.72Å; W744-I746 HydrophobicContact CZ3-CD1 4.45Å; W744-I746 HydrophobicContact CZ3-CG1 3.93Å; W744-I746 HydrophobicContact CZ3-CG2 4.21Å; W744-I759 HydrophobicContact CB-CG2 3.51Å; W744-I759 HydrophobicContact CG-CG2 3.75Å
745	V	88.9	Confident	80.7	Confident	51 Å²	51	77.7 Å²	77.7	31%	0.309	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	142.7	176.2	59.4	0	0	0	0	113.3	L730 Q731 L742 R747	L730-V745 WeakPolarHBondContact O-CA 3.28Å; Q731-V745 HydrophobicContact CB-CB 3.97Å; Q731-V745 HydrophobicContact CB-CG2 3.82Å; L742-V745 HydrophobicContact CD1-CB 4.34Å; L742-V745 HydrophobicContact CD2-CB 4.44Å; L742-V745 HydrophobicContact CD2-CG1 4.04Å; V745-R747 HydrophobicContact CG2-CG 3.79Å
746	I	86.7	Confident	80.3	Confident	20 Å²	20	78 Å²	78	10%	0.103	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147	159.9	56.6	171.4	0	0	0	110.3	Y720 A722 A729 L730 W744 Q750	Y720-I746 HydrophobicContact CD2-CD1 3.87Å; Y720-I746 HydrophobicContact CE2-CD1 3.63Å; A722-I746 HydrophobicContact CB-CD1 3.62Å; A729-I746 VanDerWaalsContact CA-O 3.26Å; A729-I746 WeakPolarHBondContact CA-O 3.49Å; A729-I746 WeakPolarHBondContact CB-O 3.35Å; L730-I746 HydrophobicContact CB-CD1 4.1Å; L730-I746 HydrophobicContact CB-CG1 3.87Å; L730-I746 PolarHBondContact N-O 3.21Å; L730-I746 PolarHBondContact O-N 2.78Å; W744-I746 HydrophobicContact CH2-CB 4.28Å; W744-I746 HydrophobicContact CH2-CD1 3.99Å; W744-I746 HydrophobicContact CH2-CG1 3.83Å; W744-I746 HydrophobicContact CH2-CG2 3.6Å; W744-I746 HydrophobicContact CZ2-CG2 3.72Å; W744-I746 HydrophobicContact CZ3-CD1 4.45Å; W744-I746 HydrophobicContact CZ3-CG1 3.93Å; W744-I746 HydrophobicContact CZ3-CG2 4.21Å; I746-Q750 HydrophobicContact CD1-CG 4.25Å
747	R	81.2	Confident	80.3	Confident	138 Å²	138	77.5 Å²	77.5	52%	0.521	41%	0.407	S	S	.	.			trans	-134.9	13.7	178.3	-54.7	-165.4	179.4	-71.4	-1.9	113.3	V728 A729 V745	V728-R747 CarbonylContact O-C 3.45Å; A729-R747 HydrophobicContact CB-CG 4.32Å; V745-R747 HydrophobicContact CG2-CG 3.79Å
748	E	70	Confident	80.9	Confident	140 Å²	140	75 Å²	75	65%	0.654	38%	0.38	S	S	*	.	S	Bend	trans	-128.3	159.5	-171.5	-57.8	-169	168	0	0	109.9
749	D	75.8	Confident	81.9	Confident	68 Å²	68	65.7 Å²	65.7	36%	0.364	34%	0.336	S	S	.	.			trans	-72	134.7	174.3	-160.4	-47	0	0	0	109.1	G724 G725 G751	G724-D749 PolarHBondContact N-OD2 3.41Å; G725-D749 PolarHBondContact N-OD2 2.98Å; D749-G751 PolarHBondContact OD1-N 3.41Å
750	Q	72.2	Confident	82.3	Confident	64 Å²	64	64.4 Å²	64.4	30%	0.299	33%	0.332	S	S	.	.			trans	-111.5	3.9	-179.2	-61.2	-65.4	-89.5	0	0	112.5	Y720 A722 I746	Y720-Q750 HydrophobicContact CE2-CG 4.37Å; A722-Q750 PolarHBondContact O-N 2.77Å; I746-Q750 HydrophobicContact CD1-CG 4.25Å
751	G	72.3	Confident	82.4	Confident	30 Å²	30	60.2 Å²	60.2	31%	0.309	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.8	174.4	-176.9	0	0	0	0	0	113.4	T723 D749 E753	T723-G751 WeakPolarHBondContact CG2-O 3.47Å; D749-G751 PolarHBondContact OD1-N 3.41Å; G751-E753 PolarHBondContact O-N 3.06Å
752	G	71.9	Confident	82.2	Confident	60 Å²	60	56.5 Å²	56.5	62%	0.619	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	17.6	-177.9	0	0	0	0	0	115.2	Q721	Q721-G752 VanDerWaalsContact NE2-C 3.3Å; Q721-G752 PolarHBondContact NE2-O 2.87Å
753	E	78.4	Confident	82	Confident	129 Å²	129	55 Å²	55	60%	0.603	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.6	-178.6	-67.2	-177.5	165.5	0	0	110.8	G751 K755	G751-E753 PolarHBondContact O-N 3.06Å; E753-K755 IonicContact OE2-NZ 2.68Å; E753-K755 PolarHBondContact OE2-NZ 3.38Å
754	W	80.4	Confident	81.8	Confident	37 Å²	37	55.4 Å²	55.4	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.1	169.1	-72.1	92.3	0	0	0	111	W669 F686 Q719 Y720 Q721 A785 D787	W669-W754 AromaticContact CH2-CD1 3.67Å; W669-W754 AromaticContact CH2-NE1 3.46Å; W669-W754 AromaticContact CZ3-CD1 3.86Å; W669-W754 AromaticContact CZ3-NE1 3.27Å; W669-W754 VanDerWaalsContact CZ3-NE1 3.27Å; F686-W754 HydrophobicContact CB-CH2 3.82Å; F686-W754 HydrophobicContact CB-CZ2 4.14Å; F686-W754 HydrophobicContact CD1-CZ2 4.06Å; F686-W754 AromaticContact CD2-CH2 3.92Å; F686-W754 HydrophobicContact CD2-CH2 3.92Å; F686-W754 AromaticContact CD2-CZ2 3.91Å; F686-W754 HydrophobicContact CD2-CZ2 3.91Å; F686-W754 HydrophobicContact CE1-CZ2 4.42Å; F686-W754 HydrophobicContact CE2-CZ2 4.25Å; F686-W754 AromaticContact CG-CH2 3.89Å; F686-W754 HydrophobicContact CG-CH2 3.89Å; F686-W754 AromaticContact CG-CZ2 3.79Å; F686-W754 HydrophobicContact CG-CZ2 3.79Å; F686-W754 HydrophobicContact CZ-CZ2 4.5Å; Q719-W754 HydrophobicContact CB-CE3 3.96Å; Q719-W754 HydrophobicContact CB-CZ3 4.27Å; Y720-W754 WeakPolarHBondContact O-CA 3.48Å; Q721-W754 HydrophobicContact CB-CD2 4.27Å; Q721-W754 HydrophobicContact CB-CE3 4.26Å; W754-A785 HydrophobicContact CH2-CB 3.48Å; W754-A785 VanDerWaalsContact CH2-CB 3.48Å; W754-A785 HydrophobicContact CZ2-CB 3.91Å; W754-A785 HydrophobicContact CZ3-CB 4.1Å; W754-D787 HydrophobicContact CH2-CB 4.07Å; W754-D787 HydrophobicContact CZ3-CB 3.97Å
755	K	82.9	Confident	81.2	Confident	63 Å²	63	60 Å²	60	27%	0.274	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147	179.9	-56.2	-62.1	161.3	-161.7	0	109.7	Q719 Y720 E753	Q719-K755 WeakPolarHBondContact CA-O 3.43Å; Y720-K755 HydrophobicContact CD1-CB 4.31Å; Y720-K755 WeakPolarHBondContact CD1-O 3.47Å; Y720-K755 HydrophobicContact CD2-CB 4.46Å; Y720-K755 HydrophobicContact CE1-CB 3.74Å; Y720-K755 HydrophobicContact CE2-CB 3.89Å; Y720-K755 HydrophobicContact CE2-CG 4.35Å; Y720-K755 PolarHBondContact N-O 3.26Å; Y720-K755 PolarHBondContact O-N 2.91Å; E753-K755 IonicContact OE2-NZ 2.68Å; E753-K755 PolarHBondContact OE2-NZ 3.38Å
756	H	83.6	Confident	80.9	Confident	66 Å²	66	62.4 Å²	62.4	31%	0.306	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.3	178.5	-160.3	69	0	0	0	110	E717 R758	E717-H756 IonicContact OE1-CD2 3.7Å; E717-H756 IonicContact OE1-CE1 3.24Å; E717-H756 IonicContact OE1-NE2 3.94Å; E717-H756 PolarHBondContact OE1-NE2 3.05Å; H756-R758 PolarHBondContact CD2-NH2 3.05Å
757	G	84.1	Confident	80.8	Confident	2 Å²	2	67.4 Å²	67.4	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135	170.9	0	0	0	0	0	110.4	E717 F718	E717-G757 CarbonylContact C-O 3.45Å; E717-G757 VanDerWaalsContact CA-O 3.31Å; E717-G757 WeakPolarHBondContact CA-O 3.17Å; F718-G757 PolarHBondContact N-O 3.01Å; F718-G757 PolarHBondContact O-N 2.85Å
758	R	87.9	Confident	81.2	Confident	61 Å²	61	61 Å²	61	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	165.2	-58.4	-158.1	-170.8	85.5	23.7	110.1	M716 E717 H756 C800 E802	M716-R758 CarbonylContact O-C 3.6Å; M716-R758 WeakPolarHBondContact O-CA 3.47Å; E717-R758 HydrophobicContact CG-CG 4.04Å; E717-R758 IonicContact OE1-CZ 2.79Å; E717-R758 IonicContact OE1-NE 2.75Å; E717-R758 PolarHBondContact OE1-NE 2.69Å; E717-R758 IonicContact OE1-NH2 3.93Å; H756-R758 PolarHBondContact CD2-NH2 3.05Å; R758-C800 CarbonylContact C-O 3.53Å; R758-C800 WeakPolarHBondContact CB-O 3.35Å; R758-E802 IonicContact CZ-OE1 3.63Å; R758-E802 IonicContact NH1-OE1 2.61Å; R758-E802 PolarHBondContact NH1-OE1 2.92Å; R758-E802 IonicContact NH2-OE1 2.65Å
759	I	88.6	Confident	82.3	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.036	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.7	177.6	67.1	174.5	0	0	0	110.6	M716 F718 V732 L743 W744 L761 C800	M716-I759 HydrophobicContact CB-CG1 3.98Å; M716-I759 HydrophobicContact CE-CD1 3.57Å; M716-I759 HydrophobicContact CE-CG1 3.96Å; M716-I759 PolarHBondContact N-O 2.94Å; M716-I759 PolarHBondContact O-N 3.48Å; M716-I759 HydrophobicContact SD-CD1 4.37Å; F718-I759 HydrophobicContact CE1-CD1 4.47Å; F718-I759 HydrophobicContact CE1-CG1 4.44Å; F718-I759 HydrophobicContact CE1-CG2 4.01Å; V732-I759 HydrophobicContact CB-CD1 4.27Å; V732-I759 HydrophobicContact CG1-CD1 3.71Å; L743-I759 HydrophobicContact CB-CD1 4.41Å; L743-I759 HydrophobicContact CD1-CD1 4.15Å; W744-I759 HydrophobicContact CB-CG2 3.51Å; W744-I759 HydrophobicContact CG-CG2 3.75Å; I759-L761 HydrophobicContact CD1-CD2 3.88Å; I759-L761 HydrophobicContact CG1-CD2 4.06Å; I759-C800 VanDerWaalsContact C-SG 3.59Å; I759-C800 PolarHBondContact O-SG 2.76Å
760	I	87.4	Confident	83.1	Confident	51 Å²	51	54.3 Å²	54.3	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.4	171.5	-62.6	177.8	0	0	0	108.8	P713 L797 C800 M801	P713-I760 HydrophobicContact CB-CG2 3.68Å; P713-I760 HydrophobicContact CG-CG2 4.49Å; I760-L797 HydrophobicContact CD1-CD2 4.4Å; I760-L797 HydrophobicContact CG1-CD2 4.21Å; I760-L797 HydrophobicContact CG2-CD2 4.06Å; I760-C800 HydrophobicContact CG1-CB 3.94Å; I760-M801 HydrophobicContact CD1-CG 3.77Å; I760-M801 HydrophobicContact CD1-SD 4.13Å; I760-M801 HydrophobicContact CG1-CG 4.09Å
761	L	87.1	Confident	84.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.9	168	-55.6	-170.4	0	0	0	108.3	F644 L709 P713 V714 M716 L743 I759 I770 I791	F644-L761 HydrophobicContact CZ-CD1 4.16Å; L709-L761 HydrophobicContact CD1-CB 4.21Å; P713-L761 CarbonylContact C-O 3.44Å; P713-L761 WeakPolarHBondContact CA-O 3.46Å; P713-L761 WeakPolarHBondContact CB-O 3.5Å; V714-L761 HydrophobicContact CG2-CB 3.98Å; V714-L761 HydrophobicContact CG2-CD1 4.11Å; V714-L761 HydrophobicContact CG2-CG 4.31Å; V714-L761 PolarHBondContact N-O 2.69Å; V714-L761 VanDerWaalsContact N-O 3.1Å; V714-L761 PolarHBondContact O-N 3.31Å; M716-L761 HydrophobicContact CB-CD1 3.93Å; M716-L761 HydrophobicContact CB-CD2 3.94Å; M716-L761 HydrophobicContact CB-CG 3.75Å; M716-L761 HydrophobicContact CG-CD1 4.42Å; M716-L761 HydrophobicContact SD-CD1 4.21Å; M716-L761 HydrophobicContact SD-CD2 4.03Å; L743-L761 HydrophobicContact CD1-CD2 4.12Å; I759-L761 HydrophobicContact CD1-CD2 3.88Å; I759-L761 HydrophobicContact CG1-CD2 4.06Å; L761-I770 HydrophobicContact CD2-CD1 3.84Å; L761-I770 HydrophobicContact CD2-CG1 3.94Å; L761-I791 HydrophobicContact CD1-CD1 3.84Å; L761-I791 HydrophobicContact CD1-CG1 3.93Å
762	P	82.3	Confident	85.1	Confident	30 Å²	30	49.8 Å²	49.8	20%	0.195	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-72.4	150	-174	29.9	-35.4	0	0	0	112.1	Y768	P762-Y768 WeakPolarHBondContact O-CE1 3.37Å; P762-Y768 PolarHBondContact O-OH 2.89Å
763	S	83.3	Confident	86.1	Confident	56 Å²	56	47.8 Å²	47.8	39%	0.392	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-65.2	140	165	49.8	0	0	0	0	110.9	L709	L709-S763 CarbonylContact O-C 3.58Å; L709-S763 WeakPolarHBondContact O-CA 3.39Å; L709-S763 VanDerWaalsContact O-CB 3.29Å; L709-S763 WeakPolarHBondContact O-CB 3.3Å
764	Y	80.8	Confident	86.6	Confident	53 Å²	53	41.7 Å²	41.7	21%	0.208	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	139.8	-179.3	-158.2	-112.4	0	0	0	110.6	L709 R734 A736 E739 M766 Y768	L709-Y764 CarbonylContact C-O 3.49Å; L709-Y764 PolarHBondContact O-N 3.11Å; R734-Y764 VanDerWaalsContact NH1-CD2 3.32Å; R734-Y764 PolarHBondContact NH2-OH 2.83Å; A736-Y764 HydrophobicContact CB-CE1 3.77Å; E739-Y764 PolarHBondContact OE2-OH 3.19Å; Y764-M766 HydrophobicContact CD1-CB 4.04Å; Y764-M766 HydrophobicContact CE1-CB 4.07Å; Y764-M766 HydrophobicContact CE1-CE 3.78Å; Y764-M766 PolarHBondContact O-N 3.23Å; Y764-Y768 HydrophobicContact CD1-CD1 4.08Å; Y764-Y768 HydrophobicContact CG-CD1 4.22Å
765	D	78.6	Confident	86.9	Confident	134 Å²	134	42.2 Å²	42.2	72%	0.717	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	-3.7	-171.9	-54.2	-48.4	0	0	0	114.4	H708	H708-D765 PolarHBondContact CE1-O 3.17Å
766	M	82.8	Confident	87.1	Confident	101 Å²	101	39.2 Å²	39.2	50%	0.498	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.7	178.2	-60.7	-171.9	-64.8	0	0	110.4	Y764	Y764-M766 HydrophobicContact CD1-CB 4.04Å; Y764-M766 HydrophobicContact CE1-CB 4.07Å; Y764-M766 HydrophobicContact CE1-CE 3.78Å; Y764-M766 PolarHBondContact O-N 3.23Å
767	E	85.5	Confident	86.8	Confident	126 Å²	126	37.2 Å²	37.2	59%	0.589	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	142.4	168.9	-72.7	179.6	175.6	0	0	111.5	P706 V707 H708	P706-E767 HydrophobicContact CB-CB 4.33Å; P706-E767 HydrophobicContact CB-CG 4.45Å; V707-E767 WeakPolarHBondContact O-CA 3.25Å; H708-E767 HydrophobicContact CB-CG 4.12Å
768	Y	89.9	Confident	86.6	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.9	172.1	64.4	-105.9	0	0	0	111.2	V707 R734 E735 P762 Y764 I770	V707-Y768 HydrophobicContact CB-CD2 4.36Å; V707-Y768 HydrophobicContact CB-CE2 4.15Å; V707-Y768 HydrophobicContact CG1-CE2 4.21Å; V707-Y768 PolarHBondContact N-O 2.91Å; V707-Y768 PolarHBondContact O-N 3.02Å; R734-Y768 HydrophobicContact CG-CD1 4.46Å; R734-Y768 HydrophobicContact CG-CD2 3.41Å; R734-Y768 VanDerWaalsContact CG-CD2 3.41Å; R734-Y768 HydrophobicContact CG-CE2 3.8Å; R734-Y768 HydrophobicContact CG-CG 3.76Å; E735-Y768 CarbonylContact O-C 3.58Å; E735-Y768 WeakPolarHBondContact O-CA 3.49Å; E735-Y768 WeakPolarHBondContact O-CB 3.49Å; P762-Y768 WeakPolarHBondContact O-CE1 3.37Å; P762-Y768 PolarHBondContact O-OH 2.89Å; Y764-Y768 HydrophobicContact CD1-CD1 4.08Å; Y764-Y768 HydrophobicContact CG-CD1 4.22Å; Y768-I770 HydrophobicContact CD2-CD1 4.11Å; Y768-I770 HydrophobicContact CE2-CD1 3.75Å; Y768-I770 HydrophobicContact CE2-CG1 4.2Å
769	Q	92.3	Very high	85.7	Confident	67 Å²	67	44.2 Å²	44.2	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.9	174.6	-65.3	-179.9	-79.7	0	0	110.9	I703 S704 R734 E735	I703-Q769 HydrophobicContact CG2-CB 4.22Å; S704-Q769 PolarHBondContact O-NE2 3.2Å; R734-Q769 CarbonylContact C-O 3.56Å; R734-Q769 WeakPolarHBondContact CA-O 3.46Å; E735-Q769 PolarHBondContact N-O 2.86Å; E735-Q769 PolarHBondContact O-N 2.84Å
770	I	93.3	Very high	85	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.6	170.6	-63.5	-54.6	0	0	0	108.3	W657 S704 M716 V732 R734 L743 L761 Y768 F772	W657-I770 HydrophobicContact CH2-CB 4.26Å; W657-I770 HydrophobicContact CH2-CG2 4.1Å; W657-I770 WeakPolarHBondContact CZ3-O 3.45Å; S704-I770 WeakPolarHBondContact CB-O 3.42Å; S704-I770 PolarHBondContact N-O 2.98Å; S704-I770 PolarHBondContact OG-N 2.97Å; M716-I770 HydrophobicContact CE-CG2 4.42Å; M716-I770 HydrophobicContact SD-CG2 4.37Å; V732-I770 HydrophobicContact CG1-CG2 3.53Å; R734-I770 HydrophobicContact CB-CD1 4.11Å; R734-I770 HydrophobicContact CG-CD1 4.13Å; L743-I770 HydrophobicContact CD1-CD1 3.76Å; L761-I770 HydrophobicContact CD2-CD1 3.84Å; L761-I770 HydrophobicContact CD2-CG1 3.94Å; Y768-I770 HydrophobicContact CD2-CD1 4.11Å; Y768-I770 HydrophobicContact CE2-CD1 3.75Å; Y768-I770 HydrophobicContact CE2-CG1 4.2Å; I770-F772 HydrophobicContact CG2-CE2 4.34Å
771	V	92.8	Very high	84.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118	-175.9	-173.1	0	0	0	0	109.9	R701 L702 I703 V732 V733 E735 E773	R701-V771 HydrophobicContact CB-CG1 4.11Å; L702-V771 CarbonylContact O-C 3.51Å; L702-V771 WeakPolarHBondContact O-CA 3.45Å; I703-V771 HydrophobicContact CB-CG2 4.47Å; I703-V771 HydrophobicContact CG1-CG1 3.94Å; I703-V771 HydrophobicContact CG1-CG2 4.06Å; I703-V771 HydrophobicContact CG2-CG2 4.21Å; V732-V771 CarbonylContact C-O 3.57Å; V732-V771 WeakPolarHBondContact CA-O 3.18Å; V733-V771 PolarHBondContact N-O 3.34Å; V733-V771 PolarHBondContact O-N 2.89Å; E735-V771 HydrophobicContact CG-CG2 4.02Å; V771-E773 HydrophobicContact CG1-CG 3.83Å
772	F	93.6	Very high	84.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.1	164.2	-71.7	-103.8	0	0	0	108.8	W657 R701 L702 M716 F718 L730 Q731 V732 I770 I786 I789	W657-F772 HydrophobicContact CH2-CD2 4.09Å; W657-F772 AromaticContact CH2-CE2 3.74Å; W657-F772 HydrophobicContact CH2-CE2 3.74Å; W657-F772 AromaticContact CZ3-CD2 3.75Å; W657-F772 HydrophobicContact CZ3-CD2 3.75Å; W657-F772 AromaticContact CZ3-CE2 3.89Å; W657-F772 HydrophobicContact CZ3-CE2 3.89Å; R701-F772 CarbonylContact C-O 3.59Å; R701-F772 WeakPolarHBondContact CA-O 3.46Å; L702-F772 HydrophobicContact CB-CB 4.16Å; L702-F772 HydrophobicContact CD2-CB 4.35Å; L702-F772 HydrophobicContact CD2-CD2 4.45Å; L702-F772 PolarHBondContact N-O 2.95Å; L702-F772 PolarHBondContact O-N 3.37Å; M716-F772 HydrophobicContact CE-CE2 3.81Å; M716-F772 HydrophobicContact CE-CZ 3.56Å; F718-F772 HydrophobicContact CB-CZ 4.2Å; F718-F772 HydrophobicContact CD1-CE1 4.06Å; F718-F772 AromaticContact CD1-CZ 3.8Å; F718-F772 HydrophobicContact CD1-CZ 3.8Å; F718-F772 AromaticContact CD2-CE1 3.72Å; F718-F772 HydrophobicContact CD2-CE1 3.72Å; F718-F772 HydrophobicContact CD2-CZ 4.13Å; F718-F772 HydrophobicContact CE1-CE1 4.09Å; F718-F772 HydrophobicContact CE1-CZ 4.13Å; F718-F772 AromaticContact CE2-CE1 3.76Å; F718-F772 HydrophobicContact CE2-CE1 3.76Å; F718-F772 HydrophobicContact CE2-CZ 4.46Å; F718-F772 AromaticContact CG-CE1 3.87Å; F718-F772 HydrophobicContact CG-CE1 3.87Å; F718-F772 AromaticContact CG-CZ 3.79Å; F718-F772 HydrophobicContact CG-CZ 3.79Å; F718-F772 AromaticContact CZ-CE1 3.94Å; F718-F772 HydrophobicContact CZ-CE1 3.94Å; F718-F772 HydrophobicContact CZ-CZ 4.45Å; L730-F772 HydrophobicContact CD1-CB 4.32Å; L730-F772 HydrophobicContact CD1-CD1 4.23Å; L730-F772 HydrophobicContact CD2-CD1 4.47Å; Q731-F772 WeakPolarHBondContact O-CA 3.04Å; V732-F772 HydrophobicContact CG1-CE2 4.45Å; V732-F772 HydrophobicContact CG2-CD1 3.56Å; V732-F772 HydrophobicContact CG2-CE1 3.5Å; V732-F772 HydrophobicContact CG2-CG 4.16Å; V732-F772 HydrophobicContact CG2-CZ 4.07Å; I770-F772 HydrophobicContact CG2-CE2 4.34Å; F772-I786 HydrophobicContact CB-CD1 3.96Å; F772-I786 HydrophobicContact CD1-CD1 3.82Å; F772-I786 HydrophobicContact CD1-CG2 4.43Å; F772-I786 HydrophobicContact CE1-CG2 4.29Å; F772-I786 HydrophobicContact CG-CD1 4.12Å; F772-I789 HydrophobicContact CD2-CD1 4.38Å; F772-I789 HydrophobicContact CE2-CD1 3.82Å; F772-I789 HydrophobicContact CE2-CG1 4.47Å; F772-I789 HydrophobicContact CE2-CG2 4.4Å; F772-I789 HydrophobicContact CZ-CD1 4.13Å; F772-I789 HydrophobicContact CZ-CG1 4.37Å
773	E	91.8	Very high	84.4	Confident	18 Å²	18	51.5 Å²	51.5	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.6	175.9	-55.7	-166.4	131.9	0	0	110.4	Y699 A700 R701 L730 Q731 V771	Y699-E773 HydrophobicContact CE2-CB 4.24Å; Y699-E773 PolarHBondContact OH-OE1 2.72Å; A700-E773 WeakPolarHBondContact O-CA 3.4Å; R701-E773 HydrophobicContact CG-CG 4.44Å; R701-E773 IonicContact CZ-OE1 2.98Å; R701-E773 VanDerWaalsContact CZ-OE1 3.3Å; R701-E773 IonicContact NE-OE1 2.96Å; R701-E773 PolarHBondContact NE-OE1 3.27Å; R701-E773 IonicContact NH2-OE1 3.3Å; R701-E773 PolarHBondContact NH2-OE1 2.95Å; L730-E773 WeakPolarHBondContact CA-O 3.33Å; Q731-E773 HydrophobicContact CG-CB 3.86Å; Q731-E773 PolarHBondContact N-O 2.89Å; Q731-E773 PolarHBondContact NE2-OE2 2.7Å; Q731-E773 PolarHBondContact O-N 2.83Å; V771-E773 HydrophobicContact CG1-CG 3.83Å
774	G	89.6	Confident	84.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	174.4	0	0	0	0	0	111	Y699 A700	Y699-G774 WeakPolarHBondContact CA-O 3.22Å; A700-G774 PolarHBondContact N-O 2.98Å; A700-G774 PolarHBondContact O-N 2.66Å
775	V	87.4	Confident	85.1	Confident	48 Å²	48	46.3 Å²	46.3	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	-176.4	-160.8	0	0	0	0	110.3	Q698 Y699 V728 A729	Q698-V775 WeakPolarHBondContact O-CA 3.37Å; Y699-V775 HydrophobicContact CD2-CG2 4.15Å; V728-V775 CarbonylContact C-O 3.57Å; V728-V775 WeakPolarHBondContact CA-O 3.06Å; A729-V775 HydrophobicContact CB-CB 4.46Å; A729-V775 PolarHBondContact N-O 3.5Å; A729-V775 PolarHBondContact O-N 3.46Å
776	I	85.4	Confident	85.6	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.9	173.5	-54.6	166.6	0	0	0	108.8	L689 G697 Q698 V728 I784	L689-I776 HydrophobicContact CD2-CD1 4.29Å; L689-I776 HydrophobicContact CG-CD1 4.06Å; G697-I776 CarbonylContact C-O 3.6Å; G697-I776 VanDerWaalsContact CA-O 3.24Å; G697-I776 WeakPolarHBondContact CA-O 2.97Å; Q698-I776 HydrophobicContact CB-CB 4.26Å; Q698-I776 HydrophobicContact CB-CD1 4.43Å; Q698-I776 PolarHBondContact N-O 3Å; Q698-I776 PolarHBondContact O-N 3.5Å; V728-I776 HydrophobicContact CG2-CG1 4.49Å; V728-I776 HydrophobicContact CG2-CG2 4.3Å; I776-I784 HydrophobicContact CG1-CD1 4.41Å
777	G	78.6	Confident	85.7	Confident	23 Å²	23	35.4 Å²	35.4	24%	0.237	19%	0.191	C	C	.	.			trans	-58.8	147.9	-174.6	0	0	0	0	0	114.8	G727 G779 R780	G727-G777 PolarHBondContact O-N 3.46Å; G777-G779 PolarHBondContact O-N 3.19Å; G777-R780 WeakPolarHBondContact O-CB 3.3Å; G777-R780 PolarHBondContact O-N 3.36Å; G777-R780 VanDerWaalsContact O-N 3.16Å
778	K	78.9	Confident	85.7	Confident	161 Å²	161	31.3 Å²	31.3	70%	0.7	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	133.3	-179.1	-53.1	-160.7	176.1	-169.1	0	111.7	R780	K778-R780 VanDerWaalsContact C-N 3.26Å; K778-R780 PolarHBondContact O-N 3.03Å
779	G	70.4	Confident	85.7	Confident	50 Å²	50	31.1 Å²	31.1	52%	0.515	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	15.8	177.9	0	0	0	0	0	114.8	Q694 G777	Q694-G779 VanDerWaalsContact O-CA 3.26Å; Q694-G779 WeakPolarHBondContact O-CA 3.48Å; Q694-G779 PolarHBondContact O-N 2.87Å; G777-G779 PolarHBondContact O-N 3.19Å
780	R	72.4	Confident	85.4	Confident	123 Å²	123	33.2 Å²	33.2	46%	0.464	18%	0.178	S	C	.	.			trans	-111.3	143.4	174.5	-60.8	-169.9	174.2	154.9	7.9	111	S691 R726 G777 K778	S691-R780 PolarHBondContact OG-O 2.95Å; R726-R780 PolarHBondContact O-NH1 3Å; G777-R780 WeakPolarHBondContact O-CB 3.3Å; G777-R780 PolarHBondContact O-N 3.36Å; G777-R780 VanDerWaalsContact O-N 3.16Å; K778-R780 VanDerWaalsContact C-N 3.26Å; K778-R780 PolarHBondContact O-N 3.03Å
781	S	77.7	Confident	85	Confident	75 Å²	75	33.9 Å²	33.9	52%	0.524	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.2	164.7	52.1	0	0	0	0	109.4	S691 G724	S691-S781 WeakPolarHBondContact O-CA 3.42Å; G724-S781 WeakPolarHBondContact CA-O 3.3Å
782	G	82	Confident	84.1	Confident	9 Å²	9	34.6 Å²	34.6	9%	0.093	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	169	-179.6	0	0	0	0	0	112.7	S691 T723	S691-G782 PolarHBondContact N-O 3.06Å; S691-G782 PolarHBondContact O-N 3.29Å; S691-G782 VanDerWaalsContact O-N 3.14Å; T723-G782 CarbonylContact O-C 3.57Å; T723-G782 WeakPolarHBondContact O-CA 3.48Å
783	E	85.9	Confident	82.8	Confident	34 Å²	34	39.8 Å²	39.8	16%	0.159	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.9	-171.7	177.5	171.2	172	0	0	110.3	R688 L689 A722 T723	R688-E783 HydrophobicContact CG-CG 4.22Å; R688-E783 IonicContact CZ-OE1 2.71Å; R688-E783 IonicContact CZ-OE2 3.17Å; R688-E783 VanDerWaalsContact NE-CD 3.26Å; R688-E783 IonicContact NE-OE1 3.32Å; R688-E783 PolarHBondContact NE-OE1 3.06Å; R688-E783 IonicContact NE-OE2 3.64Å; R688-E783 IonicContact NH2-OE1 3.43Å; R688-E783 PolarHBondContact NH2-OE1 3.11Å; R688-E783 IonicContact NH2-OE2 2.77Å; R688-E783 PolarHBondContact NH2-OE2 2.78Å; L689-E783 CarbonylContact O-C 3.57Å; L689-E783 VanDerWaalsContact O-CA 3.29Å; L689-E783 WeakPolarHBondContact O-CA 3.4Å; A722-E783 WeakPolarHBondContact CA-O 3.45Å; T723-E783 PolarHBondContact N-O 3.45Å; T723-E783 PolarHBondContact O-N 3.15Å
784	I	88.8	Confident	81.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131	168.7	-56.9	174.5	0	0	0	107.5	W664 R688 L689 Q721 V728 A729 L730 I776 I786	W664-I784 HydrophobicContact CH2-CB 4.44Å; W664-I784 HydrophobicContact CH2-CG2 4.09Å; R688-I784 CarbonylContact C-O 3.59Å; R688-I784 WeakPolarHBondContact CA-O 3.33Å; L689-I784 HydrophobicContact CB-CB 4.46Å; L689-I784 HydrophobicContact CD2-CD1 4.45Å; L689-I784 PolarHBondContact N-O 2.85Å; L689-I784 PolarHBondContact O-N 3.07Å; Q721-I784 CarbonylContact O-C 3.49Å; Q721-I784 WeakPolarHBondContact O-CA 3.37Å; V728-I784 HydrophobicContact CG1-CD1 3.77Å; V728-I784 HydrophobicContact CG1-CG1 3.53Å; A729-I784 VanDerWaalsContact O-CD1 3.25Å; A729-I784 WeakPolarHBondContact O-CD1 3.2Å; L730-I784 HydrophobicContact CB-CD1 4.41Å; L730-I784 HydrophobicContact CB-CG2 4.16Å; L730-I784 HydrophobicContact CD1-CG2 4.22Å; L730-I784 HydrophobicContact CD2-CG2 3.95Å; L730-I784 HydrophobicContact CG-CG2 4.33Å; I776-I784 HydrophobicContact CG1-CD1 4.41Å; I784-I786 HydrophobicContact CG2-CG1 4.46Å
785	A	88.2	Confident	80.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.5	172	0	0	0	0	0	111.2	F686 L687 Y720 Q721 W754	F686-A785 HydrophobicContact CD2-CB 3.75Å; F686-A785 HydrophobicContact CE2-CB 3.86Å; L687-A785 CarbonylContact O-C 3.6Å; L687-A785 VanDerWaalsContact O-CA 3.23Å; L687-A785 WeakPolarHBondContact O-CA 3.49Å; Y720-A785 CarbonylContact C-O 3.47Å; Y720-A785 VanDerWaalsContact CA-O 3.25Å; Y720-A785 WeakPolarHBondContact CA-O 3.47Å; Q721-A785 HydrophobicContact CB-CB 3.99Å; Q721-A785 PolarHBondContact N-O 2.87Å; Q721-A785 PolarHBondContact O-N 2.94Å; W754-A785 HydrophobicContact CH2-CB 3.48Å; W754-A785 VanDerWaalsContact CH2-CB 3.48Å; W754-A785 HydrophobicContact CZ2-CB 3.91Å; W754-A785 HydrophobicContact CZ3-CB 4.1Å
786	I	89.6	Confident	80	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.3	-179.1	-51.7	174.6	0	0	0	108.9	W664 L687 L702 Q719 L730 F772 I784 I789	W664-I786 HydrophobicContact CH2-CD1 3.49Å; W664-I786 VanDerWaalsContact CH2-CD1 3.49Å; W664-I786 HydrophobicContact CH2-CG1 4.04Å; W664-I786 HydrophobicContact CZ2-CD1 3.98Å; W664-I786 HydrophobicContact CZ3-CD1 4.1Å; W664-I786 HydrophobicContact CZ3-CG1 4.26Å; L687-I786 PolarHBondContact N-O 3.32Å; L687-I786 VanDerWaalsContact N-O 3.14Å; L687-I786 PolarHBondContact O-N 2.83Å; L702-I786 HydrophobicContact CD2-CD1 4.12Å; L702-I786 HydrophobicContact CD2-CG2 4.43Å; Q719-I786 WeakPolarHBondContact O-CA 3.4Å; L730-I786 HydrophobicContact CD1-CD1 3.85Å; L730-I786 HydrophobicContact CD2-CD1 4.1Å; L730-I786 HydrophobicContact CD2-CG1 4.04Å; F772-I786 HydrophobicContact CB-CD1 3.96Å; F772-I786 HydrophobicContact CD1-CD1 3.82Å; F772-I786 HydrophobicContact CD1-CG2 4.43Å; F772-I786 HydrophobicContact CE1-CG2 4.29Å; F772-I786 HydrophobicContact CG-CD1 4.12Å; I784-I786 HydrophobicContact CG2-CG1 4.46Å; I786-I789 HydrophobicContact CG2-CD1 4.01Å; I786-I789 HydrophobicContact CG2-CG1 4.17Å
787	D	86.2	Confident	79.6	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	176.6	176.9	-148.8	-14.2	0	0	0	112.5	F686 Q719 W754 I789	F686-D787 HydrophobicContact CB-CB 4.11Å; F686-D787 WeakPolarHBondContact CB-OD2 3.46Å; Q719-D787 HydrophobicContact CB-CB 4.37Å; Q719-D787 PolarHBondContact N-O 2.85Å; Q719-D787 PolarHBondContact O-N 2.83Å; W754-D787 HydrophobicContact CH2-CB 4.07Å; W754-D787 HydrophobicContact CZ3-CB 3.97Å; D787-I789 VanDerWaalsContact C-N 3.3Å; D787-I789 PolarHBondContact O-N 2.03Å; D787-I789 VanDerWaalsContact O-N 3.1Å
788	D	84.4	Confident	79	Confident	40 Å²	40	56.8 Å²	56.8	21%	0.214	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	35.1	164.2	-99.2	-19.8	0	0	0	116.1	C646 Q719 R790	C646-D788 CarbonylContact O-C 3.58Å; C646-D788 WeakPolarHBondContact O-CA 3.25Å; C646-D788 PolarHBondContact O-N 2.79Å; Q719-D788 HydrophobicContact CB-CB 4.23Å; Q719-D788 HydrophobicContact CG-CB 3.85Å; Q719-D788 PolarHBondContact NE2-OD2 3.02Å; D788-R790 PolarHBondContact O-N 2.75Å
789	I	89.4	Confident	78.7	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.6	-179.3	-49.1	173.4	0	0	0	109.9	N645 C646 F648 W657 L702 M716 E717 F718 F772 I786 D787	N645-I789 CarbonylContact C-O 3.55Å; N645-I789 WeakPolarHBondContact CA-O 3.23Å; C646-I789 PolarHBondContact N-O 3.46Å; C646-I789 PolarHBondContact O-N 2.86Å; F648-I789 HydrophobicContact CE2-CD1 4.03Å; F648-I789 HydrophobicContact CE2-CG1 4.26Å; F648-I789 HydrophobicContact CZ-CD1 3.85Å; W657-I789 HydrophobicContact CD2-CD1 4.43Å; W657-I789 HydrophobicContact CH2-CD1 4.3Å; W657-I789 HydrophobicContact CH2-CG2 4.09Å; W657-I789 HydrophobicContact CZ2-CB 4.4Å; W657-I789 HydrophobicContact CZ2-CD1 4.18Å; W657-I789 HydrophobicContact CZ2-CG2 3.56Å; W657-I789 HydrophobicContact CZ3-CD1 4.46Å; L702-I789 HydrophobicContact CD2-CD1 4.11Å; M716-I789 HydrophobicContact CE-CG2 4.02Å; M716-I789 HydrophobicContact CG-CG2 4.33Å; M716-I789 HydrophobicContact SD-CG2 3.98Å; E717-I789 CarbonylContact O-C 3.55Å; E717-I789 WeakPolarHBondContact O-CA 3.38Å; F718-I789 HydrophobicContact CB-CB 4.34Å; F718-I789 HydrophobicContact CB-CG1 3.93Å; F718-I789 HydrophobicContact CB-CG2 4.46Å; F772-I789 HydrophobicContact CD2-CD1 4.38Å; F772-I789 HydrophobicContact CE2-CD1 3.82Å; F772-I789 HydrophobicContact CE2-CG1 4.47Å; F772-I789 HydrophobicContact CE2-CG2 4.4Å; F772-I789 HydrophobicContact CZ-CD1 4.13Å; F772-I789 HydrophobicContact CZ-CG1 4.37Å; I786-I789 HydrophobicContact CG2-CD1 4.01Å; I786-I789 HydrophobicContact CG2-CG1 4.17Å; D787-I789 VanDerWaalsContact C-N 3.3Å; D787-I789 PolarHBondContact O-N 2.03Å; D787-I789 VanDerWaalsContact O-N 3.1Å
790	R	86.2	Confident	79.1	Confident	111 Å²	111	51.6 Å²	51.6	42%	0.419	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	147.7	178.5	67	-175	-169	-154.7	2.6	113.2	N645 M716 E717 D788	N645-R790 HydrophobicContact CB-CB 4.28Å; N645-R790 WeakPolarHBondContact OD1-CA 3.24Å; M716-R790 CarbonylContact C-O 3.43Å; M716-R790 VanDerWaalsContact CA-O 3.3Å; M716-R790 WeakPolarHBondContact CA-O 3.45Å; M716-R790 WeakPolarHBondContact CG-O 3.32Å; E717-R790 HydrophobicContact CB-CG 4.06Å; E717-R790 PolarHBondContact N-O 2.89Å; E717-R790 PolarHBondContact O-N 2.88Å; E717-R790 IonicContact OE1-NH2 3.37Å; E717-R790 IonicContact OE2-CZ 2.71Å; E717-R790 VanDerWaalsContact OE2-CZ 3.3Å; E717-R790 IonicContact OE2-NE 3.56Å; E717-R790 PolarHBondContact OE2-NE 3.16Å; E717-R790 IonicContact OE2-NH2 3.62Å; E717-R790 PolarHBondContact OE2-NH2 3.04Å; D788-R790 PolarHBondContact O-N 2.75Å
791	I	84.6	Confident	78.6	Confident	14 Å²	14	52 Å²	52	7%	0.072	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.4	159.7	-70.9	165.1	0	0	0	108.4	L640 F644 N645 V714 C715 M716 L761	L640-I791 HydrophobicContact CD2-CB 4.28Å; L640-I791 HydrophobicContact CD2-CD1 3.6Å; L640-I791 HydrophobicContact CD2-CG2 3.95Å; F644-I791 HydrophobicContact CD1-CD1 3.62Å; F644-I791 HydrophobicContact CD1-CG1 3.84Å; F644-I791 HydrophobicContact CE1-CD1 3.6Å; F644-I791 HydrophobicContact CE1-CG1 3.61Å; F644-I791 HydrophobicContact CG-CD1 4.2Å; F644-I791 HydrophobicContact CZ-CD1 4.13Å; F644-I791 HydrophobicContact CZ-CG1 4.43Å; N645-I791 PolarHBondContact OD1-N 3.45Å; V714-I791 HydrophobicContact CB-CG2 4.05Å; V714-I791 HydrophobicContact CG2-CD1 4.22Å; V714-I791 HydrophobicContact CG2-CG1 4.22Å; V714-I791 HydrophobicContact CG2-CG2 3.72Å; C715-I791 CarbonylContact O-C 3.48Å; C715-I791 WeakPolarHBondContact O-CA 3.1Å; M716-I791 HydrophobicContact CB-CG1 4.45Å; M716-I791 HydrophobicContact CG-CG1 4.44Å; L761-I791 HydrophobicContact CD1-CD1 3.84Å; L761-I791 HydrophobicContact CD1-CG1 3.93Å
792	S	75.1	Confident	77.4	Confident	14 Å²	14	53.2 Å²	53.2	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.3	-171.5	-165.3	0	0	0	0	109.9	C715 E717	C715-S792 PolarHBondContact O-N 3.04Å; E717-S792 VanDerWaalsContact OE2-CB 3.28Å; E717-S792 WeakPolarHBondContact OE2-CB 3.33Å; E717-S792 PolarHBondContact OE2-OG 3.29Å
793	T	66.9	Low	75.4	Confident	109 Å²	109	58.7 Å²	58.7	67%	0.669	31%	0.31	S	S	*	.	S	Bend	trans	-79.8	-22.9	175.4	43.4	0	0	0	0	112.9
794	D	64.8	Low	73	Confident	141 Å²	141	64 Å²	64	75%	0.754	34%	0.338	S	S	*	.	S	Bend	trans	-93.6	-8.9	-164.6	-53.3	-9.1	0	0	0	112.1	P796	D794-P796 WeakPolarHBondContact O-CD 3.27Å
795	V	71.1	Confident	70.4	Confident	27 Å²	27	69.1 Å²	69.1	16%	0.164	37%	0.374	C	S	.	.	S	Bend	trans	-95.5	110.6	171.6	177.7	0	0	0	0	108.6	C715 L797 N799 C800	C715-V795 HydrophobicContact CB-CB 4.37Å; V795-L797 PolarHBondContact O-N 3.17Å; V795-N799 HydrophobicContact CG1-CB 4.18Å; V795-C800 HydrophobicContact CG1-CB 4.2Å
796	P	73.8	Confident	67.8	Low	74 Å²	74	72 Å²	72	48%	0.481	40%	0.398	S	S	.	.			trans	-55.8	140.8	171.5	-24	34.1	0	0	0	110.5	D794 E798 N799 C800	D794-P796 WeakPolarHBondContact O-CD 3.27Å; P796-E798 PolarHBondContact O-N 3.1Å; P796-N799 WeakPolarHBondContact O-CA 3.36Å; P796-N799 PolarHBondContact O-N 3.44Å; P796-C800 PolarHBondContact O-N 3.19Å
797	L	75.5	Confident	65.1	Low	68 Å²	68	81.4 Å²	81.4	36%	0.356	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-53.2	-31.7	-177.4	-70.9	164.6	0	0	0	113.3	P713 I760 V795 N799 C800	P713-L797 HydrophobicContact CB-CD2 4.48Å; P713-L797 HydrophobicContact CG-CD1 3.91Å; P713-L797 HydrophobicContact CG-CD2 4.5Å; I760-L797 HydrophobicContact CD1-CD2 4.4Å; I760-L797 HydrophobicContact CG1-CD2 4.21Å; I760-L797 HydrophobicContact CG2-CD2 4.06Å; V795-L797 PolarHBondContact O-N 3.17Å; L797-N799 VanDerWaalsContact C-N 3.28Å; L797-N799 PolarHBondContact O-N 2.99Å; L797-C800 VanDerWaalsContact O-CB 3.29Å; L797-C800 WeakPolarHBondContact O-CB 3.34Å; L797-C800 PolarHBondContact O-N 3.46Å; L797-C800 VanDerWaalsContact O-N 3.12Å
798	E	67.8	Low	62.2	Low	138 Å²	138	85.2 Å²	85.2	65%	0.645	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-59.6	-34.9	174.4	-62.2	173.6	-157.6	0	0	113.2	N274 P796	N274-E798 PolarHBondContact ND2-OE1 3.42Å; P796-E798 PolarHBondContact O-N 3.1Å
799	N	72.5	Confident	59.5	Low	101 Å²	101	88.4 Å²	88.4	54%	0.54	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-95	-2.1	177.4	-61.6	-30.4	0	0	0	112.6	V795 P796 L797	V795-N799 HydrophobicContact CG1-CB 4.18Å; P796-N799 WeakPolarHBondContact O-CA 3.36Å; P796-N799 PolarHBondContact O-N 3.44Å; L797-N799 VanDerWaalsContact C-N 3.28Å; L797-N799 PolarHBondContact O-N 2.99Å
800	C	77.4	Confident	56.4	Low	0 Å²	0	95.7 Å²	95.7	0%	0	53%	0.531	C	S	.	.	S	Bend	trans	-79.9	-16.9	179	-168.2	0	0	0	0	113.1	C715 R758 I759 I760 V795 P796 L797	C715-C800 WeakPolarHBondContact CA-SG 3.34Å; C715-C800 HydrophobicContact CB-CB 3.74Å; C715-C800 WeakPolarHBondContact CB-SG 3.09Å; C715-C800 WeakPolarHBondContact SG-CB 3.38Å; C715-C800 CovalentContact SG-SG 2.03Å; C715-C800 PolarHBondContact SG-SG 3.39Å; R758-C800 CarbonylContact C-O 3.53Å; R758-C800 WeakPolarHBondContact CB-O 3.35Å; I759-C800 VanDerWaalsContact C-SG 3.59Å; I759-C800 PolarHBondContact O-SG 2.76Å; I760-C800 HydrophobicContact CG1-CB 3.94Å; V795-C800 HydrophobicContact CG1-CB 4.2Å; P796-C800 PolarHBondContact O-N 3.19Å; L797-C800 VanDerWaalsContact O-CB 3.29Å; L797-C800 WeakPolarHBondContact O-CB 3.34Å; L797-C800 PolarHBondContact O-N 3.46Å; L797-C800 VanDerWaalsContact O-N 3.12Å
801	M	62.4	Low	53.7	Low	132 Å²	132	97.4 Å²	97.4	65%	0.65	55%	0.547	S	S	*	.	S	Bend	trans	-102.5	97.5	167.7	-62.5	-164.6	-53.1	0	0	109.2	I760	I760-M801 HydrophobicContact CD1-CG 3.77Å; I760-M801 HydrophobicContact CD1-SD 4.13Å; I760-M801 HydrophobicContact CG1-CG 4.09Å
802	E	53.6	Low	50.9	Low	101 Å²	101	101.7 Å²	101.7	47%	0.472	58%	0.576	S	S	.	*			trans	-63.4	144.7	161	-69.1	-162.4	179.6	0	0	109.3	R758 I804	R758-E802 IonicContact CZ-OE1 3.63Å; R758-E802 IonicContact NH1-OE1 2.61Å; R758-E802 PolarHBondContact NH1-OE1 2.92Å; R758-E802 IonicContact NH2-OE1 2.65Å; E802-I804 PolarHBondContact O-N 2.99Å; E802-I804 VanDerWaalsContact O-N 3.1Å
803	P	38.2	Very low	48.6	Very low	123 Å²	123	109.6 Å²	109.6	80%	0.799	61%	0.611	S	S	*	*			trans	-64.3	116.2	-172.8	25.5	-34.3	0	0	0	110.5	S805	P803-S805 PolarHBondContact O-N 3.23Å
804	I	37.3	Very low	46.8	Very low	146 Å²	146	112.2 Å²	112.2	75%	0.749	62%	0.619	S	S	*	*			trans	-60.9	106.3	178.1	-58.7	174.9	0	0	0	108.6	E802 A806	E802-I804 PolarHBondContact O-N 2.99Å; E802-I804 VanDerWaalsContact O-N 3.1Å; I804-A806 HydrophobicContact CG2-CB 4.05Å; I804-A806 PolarHBondContact O-N 2.75Å
805	S	33.1	Very low	45	Very low	107 Å²	107	113.2 Å²	113.2	75%	0.748	62%	0.619	S	S	*	*			trans	-76.4	40.3	179.1	53.6	0	0	0	0	113.2	P803	P803-S805 PolarHBondContact O-N 3.23Å
806	A	33.1	Very low	43	Very low	61 Å²	61	121.1 Å²	121.1	50%	0.504	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	133.9	160.6	0	0	0	0	0	108.5	I804	I804-A806 HydrophobicContact CG2-CB 4.05Å; I804-A806 PolarHBondContact O-N 2.75Å
807	F	33	Very low	40.8	Very low	197 Å²	197	129 Å²	129	86%	0.864	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.2	43.1	-174.4	-43.1	-68.7	0	0	0	115.8	V809	F807-V809 VanDerWaalsContact C-N 3.26Å; F807-V809 PolarHBondContact O-N 3.08Å
808	A	25.4	Very low	38.5	Very low	85 Å²	85	135.1 Å²	135.1	70%	0.702	70%	0.701	S	S	*	*			trans	-65	95	139.8	0	0	0	0	0	108.3
809	V	27.9	Very low	36.6	Very low	108 Å²	108	131.9 Å²	131.9	66%	0.655	71%	0.705	S	S	*	*			trans	-87.7	110.9	161.5	176.3	0	0	0	0	106.1	F807 I811	F807-V809 VanDerWaalsContact C-N 3.26Å; F807-V809 PolarHBondContact O-N 3.08Å; V809-I811 PolarHBondContact O-N 3.46Å
810	D	24.9	Very low	34.4	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	72%	0.721	S	S	*	*			trans	-58.6	110.3	171.1	-73.2	-44.4	0	0	0	109.2	P812	D810-P812 WeakPolarHBondContact O-CD 3.08Å
811	I	29.9	Very low	32.2	Very low	146 Å²	146	145.9 Å²	145.9	75%	0.749	76%	0.759	S	S	*	*			trans	-97.8	106.3	165.5	-60.4	175.1	0	0	0	105.5	V809 E813	V809-I811 PolarHBondContact O-N 3.46Å; I811-E813 PolarHBondContact O-N 3.01Å
812	P	26.3	Very low	30.4	Very low	105 Å²	105	147.1 Å²	147.1	68%	0.682	77%	0.769	S	S	*	*			trans	-61.2	131.7	174.4	-21	33.5	0	0	0	109.8	D810 I814	D810-P812 WeakPolarHBondContact O-CD 3.08Å; P812-I814 PolarHBondContact O-N 2.83Å
813	E	26.5	Very low	29.1	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	79%	0.785	S	S	*	*			trans	-64.7	99.5	175.7	-66.9	-175.8	121.8	0	0	110.1	I811 H815	I811-E813 PolarHBondContact O-N 3.01Å; E813-H815 VanDerWaalsContact C-N 3.3Å; E813-H815 PolarHBondContact O-N 3.07Å
814	I	27.8	Very low	28.7	Very low	163 Å²	163	152.4 Å²	152.4	84%	0.836	79%	0.786	S	S	*	*			trans	-75.8	90	168.8	-59.3	-178.6	0	0	0	107.5	P812 E816	P812-I814 PolarHBondContact O-N 2.83Å; I814-E816 PolarHBondContact O-N 2.93Å
815	H	28.4	Very low	28.2	Very low	162 Å²	162	152.4 Å²	152.4	75%	0.75	79%	0.787	S	S	*	*			trans	-56.1	129.2	164.8	-100.3	-59	0	0	0	110.2	E813 R817	E813-H815 VanDerWaalsContact C-N 3.3Å; E813-H815 PolarHBondContact O-N 3.07Å; H815-R817 PolarHBondContact O-N 3.34Å
816	E	28.6	Very low	28.1	Very low	194 Å²	194	154.6 Å²	154.6	91%	0.907	79%	0.791	S	S	*	*			trans	-59.6	121.2	167	-64.7	-179.3	139.5	0	0	109.8	I814	I814-E816 PolarHBondContact O-N 2.93Å
817	R	26.7	Very low	27.9	Very low	240 Å²	240	158.3 Å²	158.3	91%	0.906	80%	0.798	S	S	*	*			trans	-147.7	117.9	165.7	-149.3	175.7	-162.8	-170.5	3.9	110.7	H815	H815-R817 PolarHBondContact O-N 3.34Å
818	E	28.4	Very low	27.7	Very low	195 Å²	195	158.1 Å²	158.1	91%	0.911	79%	0.793	S	S	*	*			trans	-73.9	145.4	179.9	-60.1	177.4	119.8	0	0	111.9
819	G	26.6	Very low	27.9	Very low	70 Å²	70	162.2 Å²	162.2	72%	0.722	80%	0.797	S	S	*	*			trans	71.9	112.2	150.5	0	0	0	0	0	118.3
820	Y	27.9	Very low	27.9	Very low	226 Å²	226	162.9 Å²	162.9	89%	0.886	80%	0.801	S	S	*	*				-156.6	152.9	99.3	-124.8	-93.7	0	0	0	110.7
821	E	29.4	Very low	28.1	Very low	170 Å²	170	160.9 Å²	160.9	79%	0.794	79%	0.791	S	S	*	*			trans	-88.3	152.2	171.1	-64.7	166.8	127.2	0	0	109.3
822	D	26	Very low	27.9	Very low	158 Å²	158	164.4 Å²	164.4	85%	0.845	79%	0.794	S	S	*	*				-173.1	143.6	129.8	-95.7	-16.7	0	0	0	112
823	E	26	Very low	28.1	Very low	174 Å²	174	162.7 Å²	162.7	81%	0.813	79%	0.785	S	S	*	*			trans	-66.4	162.9	-174.8	-53.5	168.3	147.1	0	0	114.5
824	I	28.6	Very low	28.2	Very low	161 Å²	161	161.3 Å²	161.3	83%	0.826	78%	0.783	S	S	*	*				-178.9	142.4	109.4	-91.3	160.9	0	0	0	110.7
825	D	28.3	Very low	28.2	Very low	145 Å²	145	158 Å²	158	78%	0.775	78%	0.775	S	S	*	*			trans	-87.1	173.2	-177.5	-75	-61	0	0	0	114.6
826	D	29.4	Very low	28.1	Very low	154 Å²	154	155 Å²	155	82%	0.824	77%	0.773	S	S	*	*			trans	150.8	141.3	140.9	-80	-23.3	0	0	0	110.2
827	E	28.9	Very low	28.1	Very low	139 Å²	139	151.2 Å²	151.2	65%	0.65	77%	0.767	S	S	*	*			cis	-155	165.5	14.8	-151	-177.5	164.5	0	0	112.1
828	Y	30.4	Very low	28.2	Very low	193 Å²	193	143.4 Å²	143.4	76%	0.757	75%	0.754	S	S	*	*			trans	97.5	128.6	163.7	-71.8	-72	0	0	0	123.3
829	E	29.4	Very low	28.2	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	75%	0.751	S	S	*	*			trans	-86.9	173.4	-173.8	-57.5	173	110.6	0	0	113.9
830	V	27.3	Very low	28.4	Very low	121 Å²	121	142.5 Å²	142.5	73%	0.733	75%	0.752	S	S	*	*				174.5	143.5	79.2	159	0	0	0	0	105.3
831	D	28.8	Very low	28.4	Very low	112 Å²	112	135.3 Å²	135.3	60%	0.599	75%	0.747	S	S	*	*			cis	-159.9	171	1.1	-109	5.8	0	0	0	105.1
832	W	27.2	Very low	28.3	Very low	219 Å²	219	133.3 Å²	133.3	83%	0.83	75%	0.752	S	S	*	*			cis	-169.3	166	-7.7	-116.3	24.7	0	0	0	106
833	S	29.8	Very low	28.4	Very low	70 Å²	70	129.6 Å²	129.6	49%	0.49	75%	0.751	S	S	.	*			cis	-172.6	167.1	-26.6	55.2	0	0	0	0	108.4
834	N	28	Very low	28.5	Very low	150 Å²	150	126 Å²	126	80%	0.802	75%	0.751	S	S	*	*			trans	68.9	142.9	168.5	-66.6	-42.1	0	0	0	119
835	S	27.8	Very low	29.4	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	75%	0.747	S	S	*	*			cis	-167.8	157.1	-8.8	48.9	0	0	0	0	112.4
836	S	27.8	Very low	29.4	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	74%	0.744	S	S	*	*			trans	60.1	120.1	161.8	55.3	0	0	0	0	118.4
837	S	28.2	Very low	29.3	Very low	113 Å²	113	120.1 Å²	120.1	79%	0.79	74%	0.74	S	S	*	*			cis	75.8	133.7	45.5	82.1	0	0	0	0	114.9
838	A	28.3	Very low	29.4	Very low	77 Å²	77	120.2 Å²	120.2	64%	0.636	75%	0.745	S	S	*	*			cis	-173.5	170.4	-11	0	0	0	0	0	110.5
839	T	28.2	Very low	29.4	Very low	137 Å²	137	121.1 Å²	121.1	84%	0.84	75%	0.753	S	S	*	*			trans	63	152.3	149.9	45.3	0	0	0	0	120.1
840	S	30.7	Very low	29.5	Very low	108 Å²	108	120 Å²	120	76%	0.755	75%	0.748	S	S	*	*			cis	-171.2	146.4	-11.9	47.7	0	0	0	0	112.6
841	G	28.4	Very low	29.7	Very low	75 Å²	75	122.3 Å²	122.3	77%	0.773	75%	0.748	S	S	*	*			trans	75.4	172.2	150.6	0	0	0	0	0	118.3
842	S	27.1	Very low	29.8	Very low	128 Å²	128	122.9 Å²	122.9	90%	0.895	76%	0.76	S	S	*	*			cis	-170.1	153.8	-17.2	47.7	0	0	0	0	110.9
843	G	27.9	Very low	30	Very low	81 Å²	81	123.6 Å²	123.6	84%	0.835	76%	0.763	S	S	*	*			trans	107.1	141.7	160.8	0	0	0	0	0	117.8
844	A	28.3	Very low	30.1	Very low	98 Å²	98	126.6 Å²	126.6	81%	0.81	77%	0.773	S	S	*	*			trans	-127.5	-172.1	167.6	0	0	0	0	0	107.3
845	P	48.3	Very low	30.5	Very low	114 Å²	114	128 Å²	128	74%	0.74	77%	0.768	S	S	*	*			cis	-139.8	-170.4	-1.5	40.6	-20.3	0	0	0	115.6
846	S	27.2	Very low	30.9	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	78%	0.781	S	S	*	*			trans	111.7	140.3	138.7	82.8	0	0	0	0	122.2
847	T	28.3	Very low	31.9	Very low	120 Å²	120	130.8 Å²	130.8	74%	0.736	77%	0.773	S	S	*	*			trans	71.5	116.7	157.7	52.7	0	0	0	0	123.8
848	D	30.5	Very low	33.2	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	76%	0.757	S	S	*	*			trans	40.7	117.3	133	-52.1	-4.8	0	0	0	122.9
849	K	29.7	Very low	34.5	Very low	211 Å²	211	130.3 Å²	130.3	92%	0.917	76%	0.757	S	S	*	*				-176	173.1	102.7	-101.7	165.1	-172.8	169.4	0	115.3
850	E	32.6	Very low	36.2	Very low	147 Å²	147	129 Å²	129	69%	0.687	74%	0.743	S	S	*	*			trans	-79.7	160.8	-170	-51.8	-171.1	96.8	0	0	116.4
851	K	30.8	Very low	37.5	Very low	171 Å²	171	127.7 Å²	127.7	74%	0.743	73%	0.727	S	S	*	*			trans	55.4	103.9	145	-67.9	153.3	-174.5	155.8	0	118.9
852	S	30.2	Very low	39.2	Very low	123 Å²	123	128.8 Å²	128.8	86%	0.86	72%	0.715	S	S	*	*				-156.3	164.8	115.6	-161.7	0	0	0	0	111.2
853	W	32.5	Very low	41	Very low	234 Å²	234	126.7 Å²	126.7	89%	0.886	70%	0.696	S	S	*	*			trans	-101.6	170.5	177.4	-77.1	46.2	0	0	0	111.6
854	L	30.4	Very low	43	Very low	133 Å²	133	127.2 Å²	127.2	70%	0.696	68%	0.679	S	S	*	*			trans	97.5	121.1	157.9	-58.9	170.8	0	0	0	119.1
855	Y	36.7	Very low	45	Very low	179 Å²	179	127.6 Å²	127.6	70%	0.702	67%	0.666	S	S	*	*			trans	66	88.6	155.1	-54.4	-55	0	0	0	121.4	L857	Y855-L857 HydrophobicContact CD1-CD1 4.15Å; Y855-L857 HydrophobicContact CE1-CD1 4.19Å
856	T	36	Very low	45.9	Very low	151 Å²	151	124.8 Å²	124.8	93%	0.926	65%	0.652	S	S	*	*				-128.6	83.6	124.5	41	0	0	0	0	109.6
857	L	49.6	Very low	47.9	Very low	103 Å²	103	126.3 Å²	126.3	54%	0.539	65%	0.65	S	S	.	*			trans	-77.8	134.3	168.1	-80.4	167.1	0	0	0	109.4	Y855 L861 I862	Y855-L857 HydrophobicContact CD1-CD1 4.15Å; Y855-L857 HydrophobicContact CE1-CD1 4.19Å; L857-L861 HydrophobicContact CD2-CD2 4.13Å; L857-I862 HydrophobicContact CB-CD1 4.47Å
858	D	55.5	Low	49.9	Very low	84 Å²	84	124.2 Å²	124.2	45%	0.449	64%	0.64	S	S	.	*			trans	-60.1	128.9	179.9	-171.5	-27.3	0	0	0	110.9	I860 L861 I862	D858-I860 PolarHBondContact O-N 2.86Å; D858-I860 VanDerWaalsContact O-N 3.17Å; D858-I860 VanDerWaalsContact OD1-CB 3.25Å; D858-I860 WeakPolarHBondContact OD1-CB 3.23Å; D858-I860 WeakPolarHBondContact OD1-CG1 3.3Å; D858-I860 PolarHBondContact OD1-N 2.05Å; D858-L861 HydrophobicContact CB-CB 4.26Å; D858-L861 WeakPolarHBondContact O-CB 3.22Å; D858-L861 PolarHBondContact O-N 3.07Å; D858-I862 PolarHBondContact O-N 3.05Å
859	P	56.3	Low	51.7	Low	96 Å²	96	120.6 Å²	120.6	62%	0.623	63%	0.626	S	S	*	*	H	α-helix	trans	-57.2	-25.7	174.5	23.8	-34.6	0	0	0	113.6	I862 T863	P859-I862 PolarHBondContact O-N 3.39Å; P859-T863 PolarHBondContact O-N 3.03Å; P859-T863 PolarHBondContact O-OG1 3.02Å
860	I	62.9	Low	53.5	Low	108 Å²	108	115.3 Å²	115.3	55%	0.554	61%	0.608	S	S	*	*	H	α-helix	trans	-64.7	-41.8	172.3	-59.6	170.5	0	0	0	110.4	D858 T863 I864	D858-I860 PolarHBondContact O-N 2.86Å; D858-I860 VanDerWaalsContact O-N 3.17Å; D858-I860 VanDerWaalsContact OD1-CB 3.25Å; D858-I860 WeakPolarHBondContact OD1-CB 3.23Å; D858-I860 WeakPolarHBondContact OD1-CG1 3.3Å; D858-I860 PolarHBondContact OD1-N 2.05Å; I860-T863 WeakPolarHBondContact CA-OG1 3.18Å; I860-T863 PolarHBondContact O-N 3.38Å; I860-T863 PolarHBondContact O-OG1 3.28Å; I860-I864 HydrophobicContact CG2-CD1 3.96Å; I860-I864 VanDerWaalsContact O-CG1 3.29Å; I860-I864 WeakPolarHBondContact O-CG1 3.25Å; I860-I864 PolarHBondContact O-N 3.45Å
861	L	57.4	Low	55.2	Low	81 Å²	81	110.4 Å²	110.4	42%	0.424	60%	0.596	S	S	.	*	H	α-helix	trans	-69.4	-36.3	179.2	-173.3	57.2	0	0	0	112	L857 D858 I864 I865	L857-L861 HydrophobicContact CD2-CD2 4.13Å; D858-L861 HydrophobicContact CB-CB 4.26Å; D858-L861 WeakPolarHBondContact O-CB 3.22Å; D858-L861 PolarHBondContact O-N 3.07Å; L861-I864 PolarHBondContact O-N 3.14Å; L861-I865 HydrophobicContact CD1-CD1 4.45Å; L861-I865 HydrophobicContact CG-CD1 4.22Å; L861-I865 VanDerWaalsContact O-CG1 3.31Å; L861-I865 WeakPolarHBondContact O-CG1 3.13Å; L861-I865 PolarHBondContact O-N 3.23Å
862	I	65.8	Low	57.2	Low	99 Å²	99	107.5 Å²	107.5	51%	0.508	59%	0.593	S	S	.	*	H	α-helix	trans	-65.5	-42	174.6	-63.5	177.1	0	0	0	110.9	L857 D858 P859 I865 A866	L857-I862 HydrophobicContact CB-CD1 4.47Å; D858-I862 PolarHBondContact O-N 3.05Å; P859-I862 PolarHBondContact O-N 3.39Å; I862-I865 PolarHBondContact O-N 3.46Å; I862-A866 WeakPolarHBondContact O-CB 2.94Å; I862-A866 PolarHBondContact O-N 2.86Å
863	T	64.4	Low	58.6	Low	84 Å²	84	107.2 Å²	107.2	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-67.9	-37.3	176.7	39.2	0	0	0	0	112.6	P859 I860 A866 M867	P859-T863 PolarHBondContact O-N 3.03Å; P859-T863 PolarHBondContact O-OG1 3.02Å; I860-T863 WeakPolarHBondContact CA-OG1 3.18Å; I860-T863 PolarHBondContact O-N 3.38Å; I860-T863 PolarHBondContact O-OG1 3.28Å; T863-A866 PolarHBondContact O-N 2.84Å; T863-M867 WeakPolarHBondContact O-CB 3.31Å; T863-M867 WeakPolarHBondContact O-CG 3.46Å; T863-M867 PolarHBondContact O-N 3.28Å
864	I	70.4	Confident	60.2	Low	92 Å²	92	101 Å²	101	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-59	-49.3	171.2	-70.9	165.5	0	0	0	110.8	I860 L861 A866 M867 S868	I860-I864 HydrophobicContact CG2-CD1 3.96Å; I860-I864 VanDerWaalsContact O-CG1 3.29Å; I860-I864 WeakPolarHBondContact O-CG1 3.25Å; I860-I864 PolarHBondContact O-N 3.45Å; L861-I864 PolarHBondContact O-N 3.14Å; I864-A866 VanDerWaalsContact C-N 3.35Å; I864-A866 PolarHBondContact O-N 3.22Å; I864-M867 PolarHBondContact O-N 3.37Å; I864-S868 WeakPolarHBondContact O-CB 3.39Å; I864-S868 PolarHBondContact O-N 3.27Å; I864-S868 PolarHBondContact O-OG 3.43Å
865	I	69.4	Low	61.8	Low	106 Å²	106	96.7 Å²	96.7	54%	0.544	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-40.5	179.9	-68.1	165.1	0	0	0	111.7	L861 I862 S869	L861-I865 HydrophobicContact CD1-CD1 4.45Å; L861-I865 HydrophobicContact CG-CD1 4.22Å; L861-I865 VanDerWaalsContact O-CG1 3.31Å; L861-I865 WeakPolarHBondContact O-CG1 3.13Å; L861-I865 PolarHBondContact O-N 3.23Å; I862-I865 PolarHBondContact O-N 3.46Å; I865-S869 WeakPolarHBondContact O-CB 3.39Å; I865-S869 PolarHBondContact O-N 2.79Å; I865-S869 PolarHBondContact O-OG 3.35Å
866	A	68.1	Low	62.9	Low	54 Å²	54	91.1 Å²	91.1	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-65.8	-42.7	177	0	0	0	0	0	112.5	I862 T863 I864 S869 L870	I862-A866 WeakPolarHBondContact O-CB 2.94Å; I862-A866 PolarHBondContact O-N 2.86Å; T863-A866 PolarHBondContact O-N 2.84Å; I864-A866 VanDerWaalsContact C-N 3.35Å; I864-A866 PolarHBondContact O-N 3.22Å; A866-S869 PolarHBondContact O-OG 3.26Å; A866-S869 VanDerWaalsContact O-OG 3.11Å; A866-L870 WeakPolarHBondContact O-CB 3.05Å; A866-L870 PolarHBondContact O-N 3.01Å
867	M	68.7	Low	64	Low	135 Å²	135	87.5 Å²	87.5	67%	0.665	52%	0.521	S	S	*	.	H	α-helix	trans	-68.9	-40.8	178.4	-69.2	-70.9	-77.6	0	0	111.8	T863 I864 L870 G871	T863-M867 WeakPolarHBondContact O-CB 3.31Å; T863-M867 WeakPolarHBondContact O-CG 3.46Å; T863-M867 PolarHBondContact O-N 3.28Å; I864-M867 PolarHBondContact O-N 3.37Å; M867-L870 PolarHBondContact O-N 3.35Å; M867-G871 PolarHBondContact O-N 2.93Å
868	S	69.1	Low	64	Low	75 Å²	75	86.4 Å²	86.4	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-43.3	176.1	-61.1	0	0	0	0	112.5	I864 G871 V872	I864-S868 WeakPolarHBondContact O-CB 3.39Å; I864-S868 PolarHBondContact O-N 3.27Å; I864-S868 PolarHBondContact O-OG 3.43Å; S868-G871 PolarHBondContact O-N 3.21Å; S868-V872 PolarHBondContact O-N 3.4Å
869	S	68.8	Low	63.9	Low	67 Å²	67	84.9 Å²	84.9	47%	0.469	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-36.4	178.1	48.5	0	0	0	0	112.6	I865 A866 V872 L873	I865-S869 WeakPolarHBondContact O-CB 3.39Å; I865-S869 PolarHBondContact O-N 2.79Å; I865-S869 PolarHBondContact O-OG 3.35Å; A866-S869 PolarHBondContact O-OG 3.26Å; A866-S869 VanDerWaalsContact O-OG 3.11Å; S869-V872 PolarHBondContact O-N 3.21Å; S869-L873 PolarHBondContact O-N 3.35Å; S869-L873 VanDerWaalsContact O-N 3.15Å
870	L	68.4	Low	63.6	Low	100 Å²	100	82.1 Å²	82.1	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-40.3	172.4	-169.1	69.5	0	0	0	112.3	A866 M867 L873 L874	A866-L870 WeakPolarHBondContact O-CB 3.05Å; A866-L870 PolarHBondContact O-N 3.01Å; M867-L870 PolarHBondContact O-N 3.35Å; L870-L873 PolarHBondContact O-N 3.15Å; L870-L874 HydrophobicContact CG-CD1 4.23Å; L870-L874 WeakPolarHBondContact O-CG 3.3Å; L870-L874 PolarHBondContact O-N 2.92Å
871	G	68.3	Low	62.8	Low	43 Å²	43	83 Å²	83	44%	0.443	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-43.1	176.6	0	0	0	0	0	113.5	M867 S868 L873 L874 G875	M867-G871 PolarHBondContact O-N 2.93Å; S868-G871 PolarHBondContact O-N 3.21Å; G871-L873 VanDerWaalsContact C-N 3.34Å; G871-L873 PolarHBondContact O-N 3.33Å; G871-L874 PolarHBondContact O-N 2.87Å; G871-G875 PolarHBondContact O-N 2.85Å
872	V	72.1	Confident	62.2	Low	111 Å²	111	85.4 Å²	85.4	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-40.9	175.1	174	0	0	0	0	111.3	S868 S869 G875 A876	S868-V872 PolarHBondContact O-N 3.4Å; S869-V872 PolarHBondContact O-N 3.21Å; V872-G875 PolarHBondContact O-N 2.54Å; V872-A876 PolarHBondContact O-N 3.39Å
873	L	58.9	Low	61.1	Low	116 Å²	116	86.2 Å²	86.2	61%	0.607	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-42	179.6	-128.7	158.9	0	0	0	112	S869 L870 G871 A876 T877	S869-L873 PolarHBondContact O-N 3.35Å; S869-L873 VanDerWaalsContact O-N 3.15Å; L870-L873 PolarHBondContact O-N 3.15Å; G871-L873 VanDerWaalsContact C-N 3.34Å; G871-L873 PolarHBondContact O-N 3.33Å; L873-A876 PolarHBondContact O-N 2.82Å; L873-T877 PolarHBondContact O-N 3.08Å
874	L	66.4	Low	60	Low	103 Å²	103	91.7 Å²	91.7	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-42.7	174.8	-72.4	167.8	0	0	0	112	L870 G871 A876 T877 C878	L870-L874 HydrophobicContact CG-CD1 4.23Å; L870-L874 WeakPolarHBondContact O-CG 3.3Å; L870-L874 PolarHBondContact O-N 2.92Å; G871-L874 PolarHBondContact O-N 2.87Å; L874-A876 VanDerWaalsContact C-N 3.34Å; L874-A876 PolarHBondContact O-N 2.69Å; L874-T877 WeakPolarHBondContact CA-OG1 2.96Å; L874-T877 PolarHBondContact O-N 2.79Å; L874-T877 PolarHBondContact O-OG1 3.23Å; L874-C878 PolarHBondContact O-N 2.84Å; L874-C878 VanDerWaalsContact O-N 3.1Å
875	G	63.8	Low	58.4	Low	43 Å²	43	91.9 Å²	91.9	44%	0.443	55%	0.553	S	S	.	*	H	α-helix	trans	-57.7	-44.3	174.4	0	0	0	0	0	112.9	G871 V872 T877 C878 A879	G871-G875 PolarHBondContact O-N 2.85Å; V872-G875 PolarHBondContact O-N 2.54Å; G875-T877 PolarHBondContact O-N 3.18Å; G875-C878 PolarHBondContact O-N 2.98Å; G875-A879 PolarHBondContact O-N 3.07Å
876	A	61.3	Low	57.1	Low	62 Å²	62	91.8 Å²	91.8	51%	0.512	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-39.9	176.1	0	0	0	0	0	112.6	V872 L873 L874 A879 G880	V872-A876 PolarHBondContact O-N 3.39Å; L873-A876 PolarHBondContact O-N 2.82Å; L874-A876 VanDerWaalsContact C-N 3.34Å; L874-A876 PolarHBondContact O-N 2.69Å; A876-A879 PolarHBondContact O-N 3.26Å; A876-G880 PolarHBondContact O-N 3.34Å
877	T	57.7	Low	55.7	Low	76 Å²	76	94.2 Å²	94.2	47%	0.466	57%	0.569	S	S	.	*	H	α-helix	trans	-67.7	-35	176.8	54.5	0	0	0	0	113.5	L873 L874 G875 L881	L873-T877 PolarHBondContact O-N 3.08Å; L874-T877 WeakPolarHBondContact CA-OG1 2.96Å; L874-T877 PolarHBondContact O-N 2.79Å; L874-T877 PolarHBondContact O-OG1 3.23Å; G875-T877 PolarHBondContact O-N 3.18Å; T877-L881 PolarHBondContact O-N 3.28Å
878	C	50.5	Low	54.2	Low	80 Å²	80	92 Å²	92	54%	0.541	57%	0.567	S	S	.	*	H	α-helix	trans	-69.1	-41.8	174.4	-68.8	0	0	0	0	112.3	L874 G875 L881 L882	L874-C878 PolarHBondContact O-N 2.84Å; L874-C878 VanDerWaalsContact O-N 3.1Å; G875-C878 PolarHBondContact O-N 2.98Å; C878-L881 PolarHBondContact O-N 2.75Å; C878-L882 PolarHBondContact O-N 3.35Å
879	A	53.5	Low	52.7	Low	52 Å²	52	99.1 Å²	99.1	43%	0.43	58%	0.584	S	S	.	*	H	α-helix	trans	-63.6	-40.5	175.8	0	0	0	0	0	112.3	G875 A876 L881 L882 L883	G875-A879 PolarHBondContact O-N 3.07Å; A876-A879 PolarHBondContact O-N 3.26Å; A879-L881 VanDerWaalsContact C-N 3.33Å; A879-L881 PolarHBondContact O-N 2.66Å; A879-L882 PolarHBondContact O-N 2.95Å; A879-L883 PolarHBondContact O-N 2.75Å
880	G	49.5	Very low	51	Low	38 Å²	38	101.4 Å²	101.4	39%	0.392	60%	0.6	S	S	.	*	H	α-helix	trans	-62.6	-35.4	176.3	0	0	0	0	0	113.9	A876 Y884	A876-G880 PolarHBondContact O-N 3.34Å; G880-Y884 PolarHBondContact O-N 3.48Å
881	L	46.3	Very low	49.3	Very low	126 Å²	126	99.8 Å²	99.8	66%	0.66	61%	0.607	S	S	*	*	H	α-helix	trans	-70.2	-38.2	176.3	-91.7	161.2	0	0	0	113	T877 C878 A879 Y884	T877-L881 PolarHBondContact O-N 3.28Å; C878-L881 PolarHBondContact O-N 2.75Å; A879-L881 VanDerWaalsContact C-N 3.33Å; A879-L881 PolarHBondContact O-N 2.66Å; L881-Y884 PolarHBondContact O-N 3.46Å
882	L	44.8	Very low	47.6	Very low	131 Å²	131	106 Å²	106	69%	0.686	63%	0.63	S	S	*	*	H	α-helix	trans	-64	-42.7	175.8	-81	162.3	0	0	0	112	C878 A879 Y884 C885	C878-L882 PolarHBondContact O-N 3.35Å; A879-L882 PolarHBondContact O-N 2.95Å; L882-Y884 VanDerWaalsContact C-N 3.28Å; L882-Y884 PolarHBondContact O-N 3.04Å; L882-C885 PolarHBondContact O-N 2.86Å
883	L	43.4	Very low	45.7	Very low	117 Å²	117	105 Å²	105	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-67.2	-25.3	177.7	-74.1	166.2	0	0	0	113.6	A879 C885 T886	A879-L883 PolarHBondContact O-N 2.75Å; L883-C885 VanDerWaalsContact C-N 3.35Å; L883-T886 PolarHBondContact O-OG1 3.37Å; L883-T886 VanDerWaalsContact O-OG1 3.07Å
884	Y	40.7	Very low	44.5	Very low	199 Å²	199	105.4 Å²	105.4	78%	0.78	64%	0.64	S	S	*	*	H	α-helix	trans	-74.5	-24.6	177	-128.3	-86.9	0	0	0	113.2	G880 L881 L882	G880-Y884 PolarHBondContact O-N 3.48Å; L881-Y884 PolarHBondContact O-N 3.46Å; L882-Y884 VanDerWaalsContact C-N 3.28Å; L882-Y884 PolarHBondContact O-N 3.04Å
885	C	37.8	Very low	42.8	Very low	96 Å²	96	111 Å²	111	65%	0.649	65%	0.654	S	S	*	*	H	α-helix	trans	-82.7	-23.2	176.8	-75.4	0	0	0	0	113.6	L882 L883 S888	L882-C885 PolarHBondContact O-N 2.86Å; L883-C885 VanDerWaalsContact C-N 3.35Å; C885-S888 PolarHBondContact O-OG 3.47Å
886	T	41.7	Very low	41.2	Very low	103 Å²	103	113.9 Å²	113.9	63%	0.632	67%	0.667	S	S	*	*	H	α-helix	trans	-82.2	-15.1	-179.8	46.5	0	0	0	0	114.3	L883	L883-T886 PolarHBondContact O-OG1 3.37Å; L883-T886 VanDerWaalsContact O-OG1 3.07Å
887	C	37.2	Very low	39.6	Very low	105 Å²	105	117.1 Å²	117.1	71%	0.709	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	5.9	-176.6	-67.6	0	0	0	0	114.8
888	S	38.5	Very low	38.3	Very low	88 Å²	88	120 Å²	120	62%	0.615	70%	0.703	S	S	*	*	S	Bend	trans	-108.6	2.7	-174.7	60.4	0	0	0	0	115.1	C885	C885-S888 PolarHBondContact O-OG 3.47Å
889	Y	36.4	Very low	37.4	Very low	225 Å²	225	122 Å²	122	88%	0.882	71%	0.712	S	S	*	*			trans	-126.5	50.6	-175.8	-120.8	-89.8	0	0	0	114.1
890	S	33.6	Very low	36.2	Very low	116 Å²	116	126.1 Å²	126.1	81%	0.811	73%	0.726	S	S	*	*			trans	-106	83.9	174.9	47.5	0	0	0	0	112
891	G	32.2	Very low	35.3	Very low	65 Å²	65	130.8 Å²	130.8	67%	0.67	74%	0.738	S	S	*	*			trans	175.9	80.1	175.2	0	0	0	0	0	117.4
892	L	32.9	Very low	34.4	Very low	175 Å²	175	132.2 Å²	132.2	92%	0.916	75%	0.746	S	S	*	*				173.2	129	122.6	-94.2	160.1	0	0	0	113.8
893	S	32.5	Very low	33.6	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	75%	0.749	S	S	*	*			trans	51.8	87.9	146.5	-176.2	0	0	0	0	119.4
894	S	34.1	Very low	32.8	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	76%	0.76	S	S	*	*			trans	-64.3	135.5	148	48.8	0	0	0	0	110.7
895	R	30.7	Very low	32.2	Very low	221 Å²	221	137.4 Å²	137.4	83%	0.834	77%	0.766	S	S	*	*			trans	-141.3	114.6	170.5	-111.4	-172.5	175.9	-165.2	-2.2	111.6
896	S	29.1	Very low	31.7	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	78%	0.776	S	S	*	*			trans	37.1	113	147.5	59.2	0	0	0	0	119.4
897	C	27.6	Very low	31	Very low	130 Å²	130	143.6 Å²	143.6	88%	0.878	78%	0.782	S	S	*	*			trans	-150.8	85.7	145.4	-122.1	0	0	0	0	111.3
898	T	32.3	Very low	30.5	Very low	138 Å²	138	148.2 Å²	148.2	85%	0.847	79%	0.786	S	S	*	*			trans	-144.1	87.5	168.4	38.5	0	0	0	0	109.5
899	T	30.5	Very low	30	Very low	120 Å²	120	151.3 Å²	151.3	74%	0.736	80%	0.796	S	S	*	*			trans	-159.3	119	170.3	34.1	0	0	0	0	111.5
900	L	29.4	Very low	29.6	Very low	140 Å²	140	143.3 Å²	143.3	73%	0.733	78%	0.782	S	S	*	*			trans	69.2	150.5	153.1	-77	63.5	0	0	0	116.2
901	E	29.1	Very low	29.3	Very low	136 Å²	136	146.2 Å²	146.2	64%	0.636	79%	0.787	S	S	*	*			cis	-149.9	149.2	5.6	-138.4	157.4	-172.6	0	0	113.7	Y903	E901-Y903 HydrophobicContact CB-CD2 4.49Å; E901-Y903 HydrophobicContact CG-CD2 3.95Å; E901-Y903 HydrophobicContact CG-CE2 4.09Å; E901-Y903 WeakPolarHBondContact OE1-CE2 3.03Å
902	N	28.5	Very low	29.2	Very low	156 Å²	156	152.2 Å²	152.2	83%	0.834	80%	0.795	S	S	*	*			trans	-72.4	128.9	153.2	-74	-27.6	0	0	0	108.3
903	Y	27.6	Very low	28.9	Very low	192 Å²	192	155 Å²	155	75%	0.753	80%	0.795	S	S	*	*			trans	-152.4	149.9	152.1	-99.5	-65.8	0	0	0	112.6	E901	E901-Y903 HydrophobicContact CB-CD2 4.49Å; E901-Y903 HydrophobicContact CG-CD2 3.95Å; E901-Y903 HydrophobicContact CG-CE2 4.09Å; E901-Y903 WeakPolarHBondContact OE1-CE2 3.03Å
904	N	27.2	Very low	28.7	Very low	154 Å²	154	159.8 Å²	159.8	82%	0.824	81%	0.805	S	S	*	*			trans	-72.4	153.2	-178.5	-60.1	-24.7	0	0	0	112.1
905	F	26.9	Very low	28.3	Very low	209 Å²	209	160.5 Å²	160.5	92%	0.917	80%	0.803	S	S	*	*			trans	-96.3	125.3	163.5	-95.2	-87.7	0	0	0	111.1
906	E	27.1	Very low	28.1	Very low	184 Å²	184	157.8 Å²	157.8	86%	0.86	80%	0.797	S	S	*	*			trans	-109.9	162.6	153.9	-72	-167.5	135.2	0	0	109.5
907	L	28.4	Very low	27.9	Very low	146 Å²	146	159.6 Å²	159.6	76%	0.764	80%	0.796	S	S	*	*			trans	-81	143.9	-167	-60.1	90.9	0	0	0	113.4
908	Y	25	Very low	27.8	Very low	202 Å²	202	159.5 Å²	159.5	79%	0.792	79%	0.787	S	S	*	*				178.1	156.8	95.3	-110.8	-83.9	0	0	0	114.4
909	D	29.6	Very low	27.7	Very low	152 Å²	152	160.8 Å²	160.8	81%	0.813	78%	0.783	S	S	*	*			trans	23.3	149.1	155.1	-113.6	-48.5	0	0	0	124.3
910	G	28.1	Very low	27.6	Very low	57 Å²	57	164.2 Å²	164.2	59%	0.588	79%	0.791	S	S	*	*			trans	126.4	104.3	132.1	0	0	0	0	0	120.4
911	L	27.3	Very low	27.7	Very low	177 Å²	177	166.6 Å²	166.6	93%	0.927	80%	0.795	S	S	*	*			trans	69.2	127	139.6	-72.1	162.5	0	0	0	122.6
912	K	29.8	Very low	27.7	Very low	191 Å²	191	165.7 Å²	165.7	83%	0.83	80%	0.802	S	S	*	*			trans	-47.7	152.4	164.4	-57.3	154.5	177.2	163.3	0	114
913	Y	26.6	Very low	27.8	Very low	235 Å²	235	163.6 Å²	163.6	92%	0.922	80%	0.799	S	S	*	*				-147.1	156.2	126.1	-127.1	-89.3	0	0	0	113.5
914	K	28	Very low	28.1	Very low	189 Å²	189	159.6 Å²	159.6	82%	0.822	80%	0.799	S	S	*	*			trans	-96.3	147.6	175.4	-67.7	175	175	175.9	0	110.8
915	V	25.9	Very low	28.4	Very low	139 Å²	139	161.6 Å²	161.6	84%	0.842	80%	0.803	S	S	*	*			trans	-179.6	156.5	131.2	139.6	0	0	0	0	109
916	K	25.6	Very low	28.6	Very low	163 Å²	163	160.1 Å²	160.1	71%	0.709	83%	0.83	S	S	*	*			cis	168.6	125.5	-46.8	176.7	-170.8	-174.7	-154.4	0	106.5
917	M	25.2	Very low	28.7	Very low	142 Å²	142	158.9 Å²	158.9	70%	0.7	83%	0.828	S	S	*	*			trans	69.2	156.4	172.6	-69	160.7	81.1	0	0	115
918	N	26.1	Very low	28.7	Very low	127 Å²	127	159.6 Å²	159.6	68%	0.679	83%	0.831	S	S	*	*			cis	-143.3	-179.2	13.6	-142.7	0.5	0	0	0	115.3
919	H	28.8	Very low	28.9	Very low	166 Å²	166	157.2 Å²	157.2	77%	0.769	83%	0.834	S	S	*	*			trans	-45.9	160.5	168.7	-78.1	20.9	0	0	0	114.2
920	Q	28.4	Very low	28.9	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	84%	0.835	S	S	*	*				-164.3	167.9	57	-164.1	160	-26.8	0	0	115.2
921	K	32.7	Very low	28.9	Very low	190 Å²	190	163.8 Å²	163.8	83%	0.826	85%	0.85	S	S	*	*			trans	-87.7	144.3	-175.9	-61.3	176.5	175.1	-177.8	0	114.5
922	C	28.3	Very low	29	Very low	116 Å²	116	162.9 Å²	162.9	78%	0.784	85%	0.845	S	S	*	*				-158.9	135.9	129.5	-94	0	0	0	0	105.8
923	C	31.5	Very low	29	Very low	113 Å²	113	160.9 Å²	160.9	76%	0.764	85%	0.846	S	S	*	*				58.7	127.2	67	-54.7	0	0	0	0	112.6
924	S	33.4	Very low	29.2	Very low	107 Å²	107	155.2 Å²	155.2	75%	0.748	84%	0.84	S	S	*	*			cis	-170.6	159.7	-10.1	39	0	0	0	0	109.1
925	E	34.6	Very low	29.3	Very low	196 Å²	196	152.4 Å²	152.4	92%	0.916	84%	0.842	S	S	*	*			trans	6.5	120.7	164.1	-62.7	171.7	141.7	0	0	119.8
926	A	30.8	Very low	29.6	Very low	178 Å²	178	153.6 Å²	153.6	100%	1.471	84%	0.842	S	S	*	*			trans	-151.9	0	147	0	0	0	0	0	108.8

Retrieved 926 of 926 residues in 229.6 ms (Link to these results)

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