A0A087YG30_POEFO Loading...

Matrilin 4

AlphaFold DB , UniProt , Accession A0A087YG30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 901 aa.

						>A0A087YG30_POEFO|A0A087YG30
MGNLRGLSVFIVLTLAVFTSARPKSGPNQKCKSGPVDLVFLIDSSRSVRPHEFETMRKFLIDILNTLDIGLDTTRVGVVQYSSQVRSEFSLKTHSKLENMVKAINEIVPLAQGTMTGLAIRYLMNEAFSPGQGDRPKVPNVAVIVTDGRPQDRVAEVAAEARERGIEIYAVGVARADMTSLRAMASPPFEDHVFLVERFDLIYQFGLQFQDKLCGIDLCLESDHGCEHLCESSPGSFTCHCLPGYRLNADGKTCSAIDLCAERKHDCQQICISSPGSFTCDCNQGYHLNDDKKTCSPIDLCAEGKHDCQQVCVYMGPGVFTCDCNEGYRLNVDEKTCAPIDLCAEGKHDCEQVCVSSGPGIFTCDCNEGYRLNVDEKTCSPIDLCAEEKHDCQQVCVYSGPGVFTCDCNKGYRLNGDKKTCTPIDLCAEEKDDCQQACVYMGPGVFSCDCNEGYRLNGDEKTCSPIDLCAEGKHGCEQVCVYMGPGVFTCDCNEGYRLNVDEKTCSPIDLCAEGKHGCEQVCVYSGPGIFTCDCNEGYRLNGDKKTCSPIDLCAEGKHDCDHVCVNMGPGIFTCDCKKGYRLNEDEKSCSAIDLCAEGKHDCEQICISTPGVFTCDCNKGFKLNRDKRTCTNMDMCNTVKHGCDYQCVNTPGSYHCICPEGQLLQDDGKTCGTCKSANIDLVLLIDGSKSVRPQNFELVKKFVNQVVDSLDVSAHGTRVGLVQYSSRVRTEFPLNMYHTAEDIKAAVMKVDYMEKGTMTGLALKHMLEYSFSEAEGARPASRNIPRIGLVFTDGRSQDDISEYAKKAKEAGITMYAVGVGKAVEDELREIASDPVEKHFYYTTDFSAINTIADNLKLNVCPAESQGEVEVKDPCACENLVEFQQATMNSLDQFTQKHILSK
					

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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	33.4	Very low	32.9	Very low	251 Å²	251	153.5 Å²	153.5	100%	1.236	84%	0.839	S	S	*	*				0	118.9	0	-92.9	167.5	147.9	0	0	107.8
2	G	34.5	Very low	32.6	Very low	68 Å²	68	151.3 Å²	151.3	70%	0.701	83%	0.833	S	S	*	*			trans	76.9	103.9	171.4	0	0	0	0	0	116
3	N	34.7	Very low	32.5	Very low	158 Å²	158	150.7 Å²	150.7	85%	0.845	83%	0.827	S	S	*	*				83.9	133.7	84.1	-79	3.8	0	0	0	112.3
4	L	33.2	Very low	32.4	Very low	155 Å²	155	149 Å²	149	81%	0.812	82%	0.823	S	S	*	*			cis	-155.4	141.8	-0.1	-136.9	86.1	0	0	0	105.7
5	R	37.5	Very low	32.1	Very low	249 Å²	249	149.4 Å²	149.4	94%	0.94	82%	0.822	S	S	*	*			trans	-95.7	145.5	-177.9	-82.7	-177.1	169.2	-176.1	-3.6	112.2
6	G	33.1	Very low	31.9	Very low	70 Å²	70	145.2 Å²	145.2	72%	0.722	81%	0.813	S	S	*	*			trans	-80	161	171.4	0	0	0	0	0	114.2
7	L	31.3	Very low	31.6	Very low	172 Å²	172	143.9 Å²	143.9	90%	0.901	81%	0.809	S	S	*	*			trans	-172.1	131.9	144	-119.5	121.2	0	0	0	108.7
8	S	31.7	Very low	31.4	Very low	117 Å²	117	146.7 Å²	146.7	82%	0.818	81%	0.812	S	S	*	*			trans	-68.6	134.2	178	-58.4	0	0	0	0	112
9	V	30.5	Very low	31.2	Very low	112 Å²	112	145.7 Å²	145.7	68%	0.679	81%	0.81	S	S	*	*			trans	-135	115.5	171.9	173.9	0	0	0	0	108	I11	V9-I11 HydrophobicContact CG1-CD1 4.05Å; V9-I11 HydrophobicContact CG1-CG1 3.82Å
10	F	29.7	Very low	31.1	Very low	208 Å²	208	143 Å²	143	91%	0.912	80%	0.802	S	S	*	*			trans	-83.1	119.1	165	-96.5	-92.8	0	0	0	108.2
11	I	31.8	Very low	31	Very low	129 Å²	129	141.1 Å²	141.1	66%	0.662	80%	0.804	S	S	*	*			trans	-112.8	113.4	168.7	-72.7	165.1	0	0	0	107.5	V9 L13	V9-I11 HydrophobicContact CG1-CD1 4.05Å; V9-I11 HydrophobicContact CG1-CG1 3.82Å; I11-L13 HydrophobicContact CG2-CD1 4.15Å; I11-L13 HydrophobicContact CG2-CG 4.49Å
12	V	30	Very low	30.7	Very low	127 Å²	127	139.6 Å²	139.6	77%	0.77	79%	0.785	S	S	*	*			trans	-77.5	115.3	163.3	174.3	0	0	0	0	106.9
13	L	30.6	Very low	30.5	Very low	143 Å²	143	141.6 Å²	141.6	75%	0.749	79%	0.786	S	S	*	*			trans	-94.5	100.8	174.9	-118.6	132.1	0	0	0	108.6	I11 L15	I11-L13 HydrophobicContact CG2-CD1 4.15Å; I11-L13 HydrophobicContact CG2-CG 4.49Å; L13-L15 PolarHBondContact O-N 2.81Å
14	T	31	Very low	30.3	Very low	127 Å²	127	144 Å²	144	78%	0.779	79%	0.789	S	S	*	*			trans	-70.8	110.5	164.3	44	0	0	0	0	109.3
15	L	29.2	Very low	30.1	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	78%	0.777	S	S	*	*			trans	-90.2	102.2	163.5	-95.5	154.1	0	0	0	108.3	L13 V17	L13-L15 PolarHBondContact O-N 2.81Å; L15-V17 PolarHBondContact O-N 2.97Å
16	A	28	Very low	29.9	Very low	82 Å²	82	130.6 Å²	130.6	68%	0.678	75%	0.753	S	S	*	*			trans	-67.2	109.5	166	0	0	0	0	0	108.7	F18	A16-F18 PolarHBondContact O-N 2.99Å
17	V	27.9	Very low	30	Very low	123 Å²	123	134.2 Å²	134.2	75%	0.745	76%	0.763	S	S	*	*			trans	-77.6	110.8	165	179.8	0	0	0	0	106.9	L15 T19	L15-V17 PolarHBondContact O-N 2.97Å; V17-T19 HydrophobicContact CG1-CG2 4.4Å; V17-T19 PolarHBondContact O-N 3.04Å
18	F	27.3	Very low	30.4	Very low	194 Å²	194	134 Å²	134	85%	0.851	76%	0.763	S	S	*	*			trans	-65.1	98.3	162.6	-79.3	-90.3	0	0	0	108	A16 S20	A16-F18 PolarHBondContact O-N 2.99Å; F18-S20 PolarHBondContact O-N 3.23Å
19	T	27.1	Very low	31.1	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	75%	0.748	S	S	*	*			trans	-72.3	82.1	161	53.8	0	0	0	0	107.8	V17 A21	V17-T19 HydrophobicContact CG1-CG2 4.4Å; V17-T19 PolarHBondContact O-N 3.04Å; T19-A21 VanDerWaalsContact C-N 3.29Å; T19-A21 PolarHBondContact O-N 3.1Å
20	S	29.9	Very low	32.2	Very low	92 Å²	92	132.8 Å²	132.8	64%	0.643	74%	0.735	S	S	*	*			trans	-67.3	96.5	156.2	176.8	0	0	0	0	106.5	F18 R22	F18-S20 PolarHBondContact O-N 3.23Å; S20-R22 PolarHBondContact O-N 2.86Å; S20-R22 VanDerWaalsContact O-N 3.07Å
21	A	28.9	Very low	33.7	Very low	103 Å²	103	123.5 Å²	123.5	85%	0.851	70%	0.696	S	S	*	*			trans	-60.6	110.6	162.4	0	0	0	0	0	107.3	T19	T19-A21 VanDerWaalsContact C-N 3.29Å; T19-A21 PolarHBondContact O-N 3.1Å
22	R	27.3	Very low	34.8	Very low	219 Å²	219	124.9 Å²	124.9	83%	0.826	70%	0.697	S	S	*	*			trans	-109	151.8	166.4	-98.9	-170	178.7	-178.3	0.9	109.4	S20	S20-R22 PolarHBondContact O-N 2.86Å; S20-R22 VanDerWaalsContact O-N 3.07Å
23	P	29.1	Very low	36.1	Very low	111 Å²	111	119.5 Å²	119.5	72%	0.721	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-80.3	149.7	-135.6	15	-2.9	0	0	0	112.4	S25	P23-S25 PolarHBondContact O-N 2.93Å; P23-S25 VanDerWaalsContact O-N 3.17Å
24	K	30.6	Very low	37.6	Very low	209 Å²	209	114.5 Å²	114.5	91%	0.909	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.7	160.5	-74	-176.3	175.3	-177	0	108.3	G26	K24-G26 PolarHBondContact O-N 3.05Å
25	S	30.8	Very low	39.9	Very low	80 Å²	80	111.5 Å²	111.5	56%	0.559	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-62.6	117.8	173.4	41.5	0	0	0	0	109.9	P23	P23-S25 PolarHBondContact O-N 2.93Å; P23-S25 VanDerWaalsContact O-N 3.17Å
26	G	31.5	Very low	42.7	Very low	42 Å²	42	104.4 Å²	104.4	43%	0.433	59%	0.594	S	S	.	*			trans	-70.5	177.4	174.4	0	0	0	0	0	112.7	K24 N28 Q29	K24-G26 PolarHBondContact O-N 3.05Å; G26-N28 PolarHBondContact O-N 3.18Å; G26-Q29 PolarHBondContact O-N 2.68Å
27	P	36.1	Very low	45.8	Very low	145 Å²	145	100.5 Å²	100.5	94%	0.942	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	22.5	-169.9	25.5	-26.8	0	0	0	114.8
28	N	39.7	Very low	48.9	Very low	167 Å²	167	94.7 Å²	94.7	89%	0.893	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.4	15.7	179.3	-119	-13.1	0	0	0	113.2	G26	G26-N28 PolarHBondContact O-N 3.18Å
29	Q	46.4	Very low	52.1	Low	109 Å²	109	85.5 Å²	85.5	51%	0.509	49%	0.486	S	S	.	.			trans	-100.4	110.8	179.9	-170.5	156.1	-1.6	0	0	109.9	G26	G26-Q29 PolarHBondContact O-N 2.68Å
30	K	54.3	Low	55.4	Low	95 Å²	95	79.4 Å²	79.4	41%	0.413	45%	0.449	S	S	.	.			trans	-54.3	141.3	173.5	-67.1	-175.3	173	-166.8	0	110.5	K32	K30-K32 PolarHBondContact O-N 3.09Å
31	C	59.3	Low	58.4	Low	13 Å²	13	75.1 Å²	75.1	9%	0.088	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-56.9	123.4	176.3	161	0	0	0	0	110.6	S33 T66 D68 C214	C31-S33 PolarHBondContact O-N 3.35Å; C31-T66 WeakPolarHBondContact CB-O 3.18Å; C31-T66 PolarHBondContact N-O 2.95Å; C31-D68 WeakPolarHBondContact O-CB 3.26Å; C31-D68 PolarHBondContact O-N 2.07Å; C31-C214 HydrophobicContact CB-CB 3.83Å; C31-C214 WeakPolarHBondContact CB-SG 3.48Å; C31-C214 WeakPolarHBondContact SG-CA 3.45Å; C31-C214 WeakPolarHBondContact SG-CB 3.24Å; C31-C214 CovalentContact SG-SG 1.98Å; C31-C214 PolarHBondContact SG-SG 3.18Å
32	K	55.4	Low	61.5	Low	159 Å²	159	70.3 Å²	70.3	69%	0.691	38%	0.379	S	S	*	.			trans	-90.8	76.9	172.8	-72	-171.3	175.9	-174.2	0	109.5	K30	K30-K32 PolarHBondContact O-N 3.09Å
33	S	57.5	Low	64.5	Low	13 Å²	13	59.9 Å²	59.9	9%	0.091	34%	0.339	C	S	.	.			trans	-67.2	151.2	161.6	60.1	0	0	0	0	109	C31 T74	C31-S33 PolarHBondContact O-N 3.35Å; S33-T74 PolarHBondContact OG-OG1 3.41Å; S33-T74 VanDerWaalsContact OG-OG1 3.07Å
34	G	63.4	Low	67.4	Low	38 Å²	38	54.6 Å²	54.6	39%	0.392	31%	0.305	S	S	.	.			trans	-57.2	174.1	165	0	0	0	0	0	111.4	V36	G34-V36 PolarHBondContact O-N 2.84Å; G34-V36 VanDerWaalsContact O-N 3.16Å
35	P	78.6	Confident	70.2	Confident	65 Å²	65	44.8 Å²	44.8	42%	0.422	26%	0.263	S	S	.	.	S	Bend	trans	-57	124.6	172.6	24.4	-32.1	0	0	0	109.6	T73 V138 P139	P35-T73 VanDerWaalsContact CA-O 3.28Å; P35-T73 WeakPolarHBondContact CA-O 3.31Å; P35-V138 HydrophobicContact CB-CG1 4.37Å; P35-V138 HydrophobicContact CB-CG2 4.33Å; P35-V138 WeakPolarHBondContact O-CG1 3.18Å; P35-P139 WeakPolarHBondContact O-CD 3.49Å
36	V	88	Confident	72.7	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.9	178.9	173.3	0	0	0	0	109.2	G34 L38 T73 T74 R75 R135 V141	G34-V36 PolarHBondContact O-N 2.84Å; G34-V36 VanDerWaalsContact O-N 3.16Å; V36-L38 HydrophobicContact CG1-CB 4.49Å; V36-T73 PolarHBondContact N-O 2.78Å; V36-T74 VanDerWaalsContact O-CA 3.3Å; V36-T74 WeakPolarHBondContact O-CA 3.15Å; V36-R75 PolarHBondContact O-N 3.49Å; V36-R135 PolarHBondContact O-NH2 3.03Å; V36-R135 VanDerWaalsContact O-NH2 3.08Å; V36-V141 HydrophobicContact CG1-CB 4.2Å; V36-V141 HydrophobicContact CG1-CG2 3.79Å
37	D	92.1	Very high	75.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.5	170.5	-71.3	-14.8	0	0	0	108.5	R75 L91 F128 R135 V138 P139 N140 V141	D37-R75 WeakPolarHBondContact OD1-CB 3.32Å; D37-L91 HydrophobicContact CB-CD1 4.04Å; D37-L91 HydrophobicContact CB-CD2 4.26Å; D37-F128 HydrophobicContact CB-CE1 4.24Å; D37-F128 WeakPolarHBondContact O-CE1 3.46Å; D37-R135 IonicContact OD1-CZ 3.35Å; D37-R135 VanDerWaalsContact OD1-CZ 3.23Å; D37-R135 IonicContact OD1-NE 2.9Å; D37-R135 PolarHBondContact OD1-NE 3.33Å; D37-R135 IonicContact OD1-NH2 3.43Å; D37-R135 PolarHBondContact OD1-NH2 3.43Å; D37-R135 WeakPolarHBondContact OD2-CB 3.41Å; D37-R135 PolarHBondContact OD2-N 3.27Å; D37-R135 IonicContact OD2-NE 2.81Å; D37-V138 HydrophobicContact CB-CG1 4.37Å; D37-P139 PolarHBondContact N-O 3.44Å; D37-N140 WeakPolarHBondContact CB-OD1 3.2Å; D37-V141 PolarHBondContact O-N 2.01Å
38	L	92.9	Very high	77.5	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.5	-170.6	178.5	62.4	0	0	0	110.7	V36 F40 L67 T74 R75 V76 G77 V141 V143 F209	V36-L38 HydrophobicContact CG1-CB 4.49Å; L38-F40 HydrophobicContact CD2-CE2 3.58Å; L38-F40 HydrophobicContact CD2-CZ 3.76Å; L38-F40 HydrophobicContact CG-CD2 4.39Å; L38-F40 HydrophobicContact CG-CE2 3.87Å; L38-F40 HydrophobicContact CG-CZ 4.26Å; L38-L67 HydrophobicContact CD2-CD1 3.71Å; L38-T74 HydrophobicContact CB-CG2 4.37Å; L38-R75 PolarHBondContact N-O 2.75Å; L38-V76 HydrophobicContact CB-CG2 4.5Å; L38-V76 CarbonylContact O-C 3.49Å; L38-V76 VanDerWaalsContact O-CA 3.23Å; L38-V76 WeakPolarHBondContact O-CA 3.44Å; L38-G77 PolarHBondContact O-N 2.8Å; L38-V141 CarbonylContact C-O 3.49Å; L38-V141 WeakPolarHBondContact CA-O 2.99Å; L38-V141 HydrophobicContact CD1-CB 3.96Å; L38-V141 HydrophobicContact CD1-CG1 3.77Å; L38-V143 HydrophobicContact CD1-CG2 3.89Å; L38-F209 HydrophobicContact CD1-CZ 4.13Å
39	V	95.6	Very high	79.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123	175.6	178.5	0	0	0	0	110.8	L41 G77 V79 L91 L123 A127 F128 V141 A142 V143	V39-L41 HydrophobicContact CG1-CD1 4.44Å; V39-G77 WeakPolarHBondContact CA-O 3Å; V39-V79 HydrophobicContact CG1-CG2 4.04Å; V39-L91 HydrophobicContact CG2-CD1 4.34Å; V39-L91 HydrophobicContact CG2-CD2 3.97Å; V39-L91 HydrophobicContact CG2-CG 4.21Å; V39-L123 HydrophobicContact CB-CD1 3.68Å; V39-L123 HydrophobicContact CG1-CD1 3.51Å; V39-L123 HydrophobicContact CG2-CD1 4.24Å; V39-A127 HydrophobicContact CG1-CB 4.29Å; V39-A127 HydrophobicContact CG2-CB 4.43Å; V39-F128 HydrophobicContact CB-CE1 4.39Å; V39-F128 HydrophobicContact CB-CE2 4.29Å; V39-F128 HydrophobicContact CB-CZ 3.85Å; V39-F128 HydrophobicContact CG2-CD1 4.25Å; V39-F128 HydrophobicContact CG2-CE1 3.62Å; V39-F128 HydrophobicContact CG2-CE2 4.2Å; V39-F128 HydrophobicContact CG2-CZ 3.58Å; V39-V141 PolarHBondContact N-O 2.66Å; V39-A142 VanDerWaalsContact O-CA 3.31Å; V39-A142 WeakPolarHBondContact O-CA 3.06Å; V39-V143 PolarHBondContact O-N 3.35Å
40	F	95.3	Very high	81.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.3	171.1	-69	-86.3	0	0	0	110.4	L38 I42 L60 I63 L64 V76 G77 V78 V79 V143	L38-F40 HydrophobicContact CD2-CE2 3.58Å; L38-F40 HydrophobicContact CD2-CZ 3.76Å; L38-F40 HydrophobicContact CG-CD2 4.39Å; L38-F40 HydrophobicContact CG-CE2 3.87Å; L38-F40 HydrophobicContact CG-CZ 4.26Å; F40-I42 HydrophobicContact CB-CG2 4.33Å; F40-L60 HydrophobicContact CB-CD2 3.95Å; F40-L60 HydrophobicContact CD1-CD2 3.33Å; F40-L60 HydrophobicContact CD2-CD2 4.2Å; F40-L60 HydrophobicContact CE1-CD2 3.81Å; F40-L60 HydrophobicContact CG-CD2 3.56Å; F40-L60 HydrophobicContact CZ-CD2 4.41Å; F40-I63 HydrophobicContact CE1-CD1 4.28Å; F40-I63 HydrophobicContact CZ-CD1 4.46Å; F40-I63 HydrophobicContact CZ-CG2 3.99Å; F40-L64 HydrophobicContact CE2-CD2 4.32Å; F40-V76 HydrophobicContact CD2-CG1 3.98Å; F40-V76 HydrophobicContact CE2-CG1 4.07Å; F40-G77 PolarHBondContact N-O 3.34Å; F40-V78 HydrophobicContact CB-CG2 4.33Å; F40-V78 HydrophobicContact CD2-CG2 4.48Å; F40-V79 PolarHBondContact O-N 2.64Å; F40-V143 CarbonylContact C-O 3.59Å; F40-V143 WeakPolarHBondContact CA-O 3.45Å; F40-V143 HydrophobicContact CD1-CB 3.62Å; F40-V143 HydrophobicContact CD1-CG1 3.89Å; F40-V143 HydrophobicContact CD1-CG2 4.26Å; F40-V143 HydrophobicContact CE1-CB 3.77Å; F40-V143 HydrophobicContact CE1-CG1 3.92Å; F40-V143 HydrophobicContact CE1-CG2 3.95Å
41	L	94.3	Very high	82.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.6	167.2	-72.3	107.7	0	0	0	109.6	V39 V79 Y81 A119 L123 A142 V143 I144 V145	V39-L41 HydrophobicContact CG1-CD1 4.44Å; L41-V79 CarbonylContact C-O 3.56Å; L41-V79 VanDerWaalsContact CA-O 3.31Å; L41-V79 WeakPolarHBondContact CA-O 3.35Å; L41-Y81 HydrophobicContact CB-CD1 4.31Å; L41-Y81 HydrophobicContact CB-CE1 4.23Å; L41-A119 HydrophobicContact CD2-CB 3.58Å; L41-A119 WeakPolarHBondContact CD2-O 3.38Å; L41-L123 HydrophobicContact CD1-CB 4.21Å; L41-L123 HydrophobicContact CD1-CD1 3.66Å; L41-L123 HydrophobicContact CD1-CD2 3.73Å; L41-L123 HydrophobicContact CD1-CG 4.04Å; L41-L123 HydrophobicContact CD2-CB 4.36Å; L41-A142 HydrophobicContact CD1-CB 4.23Å; L41-V143 PolarHBondContact N-O 2.97Å; L41-I144 HydrophobicContact CB-CG1 4.24Å; L41-I144 HydrophobicContact CD1-CG1 4.08Å; L41-I144 WeakPolarHBondContact O-CA 3.5Å; L41-V145 PolarHBondContact O-N 2.81Å
42	I	93.3	Very high	83.8	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	-175.2	62.8	176	0	0	0	111.3	F40 S44 F53 L60 V78 V79 Q80 Y81 I107	F40-I42 HydrophobicContact CB-CG2 4.33Å; I42-S44 PolarHBondContact O-N 2.93Å; I42-F53 HydrophobicContact CD1-CE2 4.48Å; I42-F53 HydrophobicContact CD1-CZ 4.23Å; I42-L60 HydrophobicContact CD1-CD1 4.19Å; I42-L60 HydrophobicContact CG2-CD1 3.81Å; I42-L60 HydrophobicContact CG2-CD2 4.21Å; I42-V78 HydrophobicContact CD1-CG1 3.95Å; I42-V78 HydrophobicContact CG1-CG1 4.43Å; I42-V79 PolarHBondContact N-O 3.09Å; I42-Q80 HydrophobicContact CD1-CB 4.08Å; I42-Q80 HydrophobicContact CG1-CB 3.64Å; I42-Q80 CarbonylContact O-C 3.53Å; I42-Q80 VanDerWaalsContact O-CA 3.3Å; I42-Q80 WeakPolarHBondContact O-CA 3.36Å; I42-Y81 WeakPolarHBondContact O-CD1 3.48Å; I42-Y81 PolarHBondContact O-N 2.82Å; I42-I107 HydrophobicContact CD1-CD1 4.13Å
43	D	90.7	Very high	85.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	120.7	174.9	-167.4	-19.7	0	0	0	110.1	S45 M56 Y81 T114 V145 T146	D43-S45 WeakPolarHBondContact OD1-CB 3.04Å; D43-S45 PolarHBondContact OD1-N 2.96Å; D43-S45 PolarHBondContact OD1-OG 3.14Å; D43-M56 WeakPolarHBondContact O-CE 3.49Å; D43-Y81 HydrophobicContact CB-CE1 4.09Å; D43-Y81 HydrophobicContact CB-CE2 4.38Å; D43-T114 VanDerWaalsContact OD2-CG2 3.3Å; D43-T114 WeakPolarHBondContact OD2-CG2 3.38Å; D43-V145 WeakPolarHBondContact CB-O 3.06Å; D43-V145 PolarHBondContact N-O 3.36Å; D43-T146 PolarHBondContact OD2-OG1 3.11Å
44	S	90.2	Very high	86.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.209	C	C	.	.			trans	-118.9	27.7	173.7	74.4	0	0	0	0	111.8	I42 Q80 Y81 L110 A111	I42-S44 PolarHBondContact O-N 2.93Å; S44-Q80 PolarHBondContact OG-OE1 2.99Å; S44-Y81 PolarHBondContact N-O 3.01Å; S44-Y81 PolarHBondContact OG-O 2.94Å; S44-L110 PolarHBondContact OG-N 2.96Å; S44-A111 WeakPolarHBondContact O-CA 3.47Å; S44-A111 PolarHBondContact O-N 2.95Å
45	S	88.4	Confident	87.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.014	20%	0.202	C	C	.	.	S	Bend	trans	-65.1	171.1	176.7	66.9	0	0	0	0	112.9	D43 S47 V48 G113 T114	D43-S45 WeakPolarHBondContact OD1-CB 3.04Å; D43-S45 PolarHBondContact OD1-N 2.96Å; D43-S45 PolarHBondContact OD1-OG 3.14Å; S45-S47 PolarHBondContact O-N 3.48Å; S45-S47 PolarHBondContact OG-OG 2.81Å; S45-V48 PolarHBondContact O-N 3.36Å; S45-G113 WeakPolarHBondContact CB-O 3.02Å; S45-T114 WeakPolarHBondContact CB-OG1 3.04Å; S45-T114 PolarHBondContact OG-OG1 2.95Å
46	R	84.8	Confident	88	Confident	195 Å²	195	38 Å²	38	74%	0.736	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.5	-179	-173	-176.5	-62.4	-154.5	1.5	113.3	V48 Q112	R46-V48 PolarHBondContact O-N 2.87Å; R46-Q112 WeakPolarHBondContact CB-O 3Å; R46-Q112 PolarHBondContact N-O 3.19Å
47	S	82.7	Confident	88	Confident	57 Å²	57	40 Å²	40	40%	0.399	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.6	178.8	37.4	0	0	0	0	111.5	S45 R49 D147	S45-S47 PolarHBondContact O-N 3.48Å; S45-S47 PolarHBondContact OG-OG 2.81Å; S47-R49 PolarHBondContact O-N 3.41Å; S47-D147 WeakPolarHBondContact CB-OD1 3.47Å; S47-D147 WeakPolarHBondContact CB-OD2 3.43Å; S47-D147 PolarHBondContact OG-OD1 2.89Å; S47-D147 PolarHBondContact OG-OD2 2.68Å
48	V	84.6	Confident	87.8	Confident	14 Å²	14	45.6 Å²	45.6	9%	0.085	22%	0.215	C	C	.	.	S	Bend	trans	-75.1	113.7	175.1	-174.3	0	0	0	0	110.6	S45 R46 E52 F53 M56 D147 F199	S45-V48 PolarHBondContact O-N 3.36Å; R46-V48 PolarHBondContact O-N 2.87Å; V48-E52 HydrophobicContact CG1-CB 4.04Å; V48-F53 HydrophobicContact CG1-CB 3.97Å; V48-F53 HydrophobicContact CG1-CD2 4.19Å; V48-M56 HydrophobicContact CB-CE 4.46Å; V48-M56 HydrophobicContact CG1-CE 3.4Å; V48-M56 HydrophobicContact CG2-CE 4.31Å; V48-D147 HydrophobicContact CG2-CB 4.01Å; V48-D147 WeakPolarHBondContact CG2-OD1 3.44Å; V48-D147 WeakPolarHBondContact CG2-OD2 3.39Å; V48-D147 PolarHBondContact N-OD2 3.03Å; V48-D147 VanDerWaalsContact N-OD2 3.1Å; V48-F199 HydrophobicContact CG1-CZ 4.34Å; V48-F199 HydrophobicContact CG2-CZ 4.5Å
49	R	83.1	Confident	87.4	Confident	147 Å²	147	45.8 Å²	45.8	56%	0.555	22%	0.215	S	C	*	.			trans	-74.3	156.3	177.3	-62.1	172.4	173	-171.2	-0.4	110.9	S47 H51 E52 F53	S47-R49 PolarHBondContact O-N 3.41Å; R49-H51 VanDerWaalsContact C-N 3.27Å; R49-H51 PolarHBondContact O-N 3.29Å; R49-H51 VanDerWaalsContact O-N 3.11Å; R49-E52 HydrophobicContact CB-CG 4.24Å; R49-E52 VanDerWaalsContact CB-OE2 3.25Å; R49-E52 WeakPolarHBondContact CB-OE2 3.41Å; R49-E52 WeakPolarHBondContact CG-OE2 3.38Å; R49-E52 PolarHBondContact N-OE2 3.39Å; R49-E52 WeakPolarHBondContact O-CB 3.27Å; R49-E52 PolarHBondContact O-N 3.36Å; R49-F53 PolarHBondContact O-N 2.07Å
50	P	82.6	Confident	87.1	Confident	112 Å²	112	45.8 Å²	45.8	73%	0.727	22%	0.216	S	C	*	.	H	α-helix	trans	-54.4	-36.7	-178.6	-29.3	35.7	0	0	0	115.3	E54	P50-E54 PolarHBondContact O-N 2.92Å; P50-E54 VanDerWaalsContact O-N 3.07Å
51	H	82.7	Confident	86.8	Confident	113 Å²	113	46.8 Å²	46.8	52%	0.523	22%	0.221	S	C	.	.	H	α-helix	trans	-75	-29.1	177.5	76.1	-73.6	0	0	0	113.4	R49 E54 T55	R49-H51 VanDerWaalsContact C-N 3.27Å; R49-H51 PolarHBondContact O-N 3.29Å; R49-H51 VanDerWaalsContact O-N 3.11Å; H51-E54 WeakPolarHBondContact O-CB 2.99Å; H51-E54 PolarHBondContact O-N 2.92Å; H51-T55 PolarHBondContact O-N 3.05Å; H51-T55 VanDerWaalsContact O-N 3.12Å; H51-T55 PolarHBondContact O-OG1 2.82Å
52	E	83.7	Confident	86.4	Confident	31 Å²	31	51 Å²	51	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-71.9	-40.4	174.4	-68.2	164.1	171.3	0	0	109.5	V48 R49 E54 T55 M56 F199	V48-E52 HydrophobicContact CG1-CB 4.04Å; R49-E52 HydrophobicContact CB-CG 4.24Å; R49-E52 VanDerWaalsContact CB-OE2 3.25Å; R49-E52 WeakPolarHBondContact CB-OE2 3.41Å; R49-E52 WeakPolarHBondContact CG-OE2 3.38Å; R49-E52 PolarHBondContact N-OE2 3.39Å; R49-E52 WeakPolarHBondContact O-CB 3.27Å; R49-E52 PolarHBondContact O-N 3.36Å; E52-E54 VanDerWaalsContact C-N 3.33Å; E52-E54 PolarHBondContact O-N 3.14Å; E52-T55 WeakPolarHBondContact O-CB 3.47Å; E52-T55 PolarHBondContact O-N 2.7Å; E52-T55 VanDerWaalsContact O-N 3.1Å; E52-M56 PolarHBondContact O-N 3.46Å; E52-F199 HydrophobicContact CB-CB 4.35Å; E52-F199 HydrophobicContact CB-CD1 4.07Å; E52-F199 HydrophobicContact CB-CD2 3.52Å; E52-F199 HydrophobicContact CB-CE1 4.24Å; E52-F199 HydrophobicContact CB-CE2 3.68Å; E52-F199 HydrophobicContact CB-CG 3.7Å; E52-F199 HydrophobicContact CB-CZ 4.02Å; E52-F199 HydrophobicContact CG-CB 4.23Å; E52-F199 HydrophobicContact CG-CD2 3.38Å; E52-F199 HydrophobicContact CG-CE2 3.83Å; E52-F199 HydrophobicContact CG-CG 3.86Å
53	F	86.5	Confident	86	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.022	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-39.2	172.3	-162.2	-96.3	0	0	0	112.5	I42 V48 R49 T55 M56 R57 I107 P109	I42-F53 HydrophobicContact CD1-CE2 4.48Å; I42-F53 HydrophobicContact CD1-CZ 4.23Å; V48-F53 HydrophobicContact CG1-CB 3.97Å; V48-F53 HydrophobicContact CG1-CD2 4.19Å; R49-F53 PolarHBondContact O-N 2.07Å; F53-T55 VanDerWaalsContact C-N 3.29Å; F53-T55 PolarHBondContact O-N 3.23Å; F53-M56 HydrophobicContact CB-CE 4.27Å; F53-M56 HydrophobicContact CD2-CE 3.46Å; F53-M56 VanDerWaalsContact CD2-CE 3.46Å; F53-M56 HydrophobicContact CE2-CE 4.1Å; F53-M56 HydrophobicContact CG-CE 4.2Å; F53-M56 PolarHBondContact O-N 2.75Å; F53-R57 HydrophobicContact CD1-CG 4.36Å; F53-R57 HydrophobicContact CE1-CG 4.19Å; F53-R57 PolarHBondContact O-N 3.39Å; F53-I107 HydrophobicContact CE1-CB 4.47Å; F53-I107 HydrophobicContact CE1-CG2 3.98Å; F53-I107 HydrophobicContact CZ-CG2 3.77Å; F53-P109 HydrophobicContact CD1-CB 4.14Å; F53-P109 HydrophobicContact CD1-CG 4.19Å; F53-P109 HydrophobicContact CD2-CB 4.09Å; F53-P109 HydrophobicContact CE1-CB 4.1Å; F53-P109 HydrophobicContact CE1-CG 4.38Å; F53-P109 HydrophobicContact CE2-CB 4.09Å; F53-P109 HydrophobicContact CG-CB 4.14Å; F53-P109 HydrophobicContact CG-CG 4.44Å; F53-P109 HydrophobicContact CZ-CB 4.09Å
54	E	86.1	Confident	85.9	Confident	63 Å²	63	51.2 Å²	51.2	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-40.3	172.2	-174.5	60.4	-156.6	0	0	112.2	P50 H51 E52 R57 K58	P50-E54 PolarHBondContact O-N 2.92Å; P50-E54 VanDerWaalsContact O-N 3.07Å; H51-E54 WeakPolarHBondContact O-CB 2.99Å; H51-E54 PolarHBondContact O-N 2.92Å; E52-E54 VanDerWaalsContact C-N 3.33Å; E52-E54 PolarHBondContact O-N 3.14Å; E54-R57 PolarHBondContact O-N 3.19Å; E54-R57 IonicContact OE2-CZ 3.79Å; E54-R57 VanDerWaalsContact OE2-CZ 3.23Å; E54-R57 IonicContact OE2-NE 3.61Å; E54-R57 PolarHBondContact OE2-NE 2.92Å; E54-R57 IonicContact OE2-NH2 3.95Å; E54-R57 PolarHBondContact OE2-NH2 2.91Å; E54-K58 PolarHBondContact O-N 2.83Å; E54-K58 VanDerWaalsContact O-N 3.11Å
55	T	84.9	Confident	85.7	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.258	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-39.6	178.3	-52	0	0	0	0	111	H51 E52 F53 R57 K58 F59 F199 I202	H51-T55 PolarHBondContact O-N 3.05Å; H51-T55 VanDerWaalsContact O-N 3.12Å; H51-T55 PolarHBondContact O-OG1 2.82Å; E52-T55 WeakPolarHBondContact O-CB 3.47Å; E52-T55 PolarHBondContact O-N 2.7Å; E52-T55 VanDerWaalsContact O-N 3.1Å; F53-T55 VanDerWaalsContact C-N 3.29Å; F53-T55 PolarHBondContact O-N 3.23Å; T55-R57 PolarHBondContact O-N 2.02Å; T55-K58 PolarHBondContact O-N 3.28Å; T55-F59 WeakPolarHBondContact O-CB 3.26Å; T55-F59 PolarHBondContact O-N 2.02Å; T55-F199 HydrophobicContact CG2-CB 4.26Å; T55-F199 WeakPolarHBondContact CG2-O 3.46Å; T55-I202 HydrophobicContact CG2-CG2 4.47Å
56	M	86.1	Confident	85.2	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-40.9	171.7	-73	-167.1	-70.7	0	0	113	D43 V48 E52 F53 K58 F59 L60 V145 F199 I202	D43-M56 WeakPolarHBondContact O-CE 3.49Å; V48-M56 HydrophobicContact CB-CE 4.46Å; V48-M56 HydrophobicContact CG1-CE 3.4Å; V48-M56 HydrophobicContact CG2-CE 4.31Å; E52-M56 PolarHBondContact O-N 3.46Å; F53-M56 HydrophobicContact CB-CE 4.27Å; F53-M56 HydrophobicContact CD2-CE 3.46Å; F53-M56 VanDerWaalsContact CD2-CE 3.46Å; F53-M56 HydrophobicContact CE2-CE 4.1Å; F53-M56 HydrophobicContact CG-CE 4.2Å; F53-M56 PolarHBondContact O-N 2.75Å; M56-K58 PolarHBondContact O-N 3.17Å; M56-F59 WeakPolarHBondContact O-CB 3.19Å; M56-F59 PolarHBondContact O-N 2.93Å; M56-L60 WeakPolarHBondContact O-CG 3.12Å; M56-L60 PolarHBondContact O-N 3.18Å; M56-V145 HydrophobicContact CG-CG1 4.49Å; M56-V145 HydrophobicContact SD-CG1 3.79Å; M56-F199 HydrophobicContact CE-CE1 4.06Å; M56-F199 HydrophobicContact CG-CD1 3.75Å; M56-F199 HydrophobicContact CG-CE1 3.47Å; M56-F199 VanDerWaalsContact CG-CE1 3.47Å; M56-F199 HydrophobicContact SD-CD1 4.47Å; M56-F199 HydrophobicContact SD-CE1 3.6Å; M56-F199 HydrophobicContact SD-CZ 4.41Å; M56-I202 HydrophobicContact CG-CD1 4.49Å
57	R	88.2	Confident	85	Confident	46 Å²	46	47.2 Å²	47.2	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-46.2	176.5	-74	-165	-74.3	-163	-2.2	111.8	F53 E54 T55 F59 L60 I61 I104 N105 I107	F53-R57 HydrophobicContact CD1-CG 4.36Å; F53-R57 HydrophobicContact CE1-CG 4.19Å; F53-R57 PolarHBondContact O-N 3.39Å; E54-R57 PolarHBondContact O-N 3.19Å; E54-R57 IonicContact OE2-CZ 3.79Å; E54-R57 VanDerWaalsContact OE2-CZ 3.23Å; E54-R57 IonicContact OE2-NE 3.61Å; E54-R57 PolarHBondContact OE2-NE 2.92Å; E54-R57 IonicContact OE2-NH2 3.95Å; E54-R57 PolarHBondContact OE2-NH2 2.91Å; T55-R57 PolarHBondContact O-N 2.02Å; R57-F59 VanDerWaalsContact C-N 3.35Å; R57-L60 PolarHBondContact O-N 3.16Å; R57-I61 WeakPolarHBondContact O-CD1 3.41Å; R57-I61 VanDerWaalsContact O-CG1 3.28Å; R57-I61 WeakPolarHBondContact O-CG1 3.29Å; R57-I61 PolarHBondContact O-N 3.34Å; R57-I104 HydrophobicContact CB-CG2 4.1Å; R57-I104 WeakPolarHBondContact CD-O 3.21Å; R57-I104 HydrophobicContact CG-CG2 4.1Å; R57-N105 PolarHBondContact NH1-O 3.17Å; R57-I107 PolarHBondContact NH1-O 3.49Å; R57-I107 VanDerWaalsContact NH1-O 3.13Å
58	K	86.3	Confident	85	Confident	118 Å²	118	47 Å²	47	51%	0.513	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-47.3	176.4	-71.7	179.8	179.9	178.3	0	111.3	E54 T55 M56 L60 I61 D62	E54-K58 PolarHBondContact O-N 2.83Å; E54-K58 VanDerWaalsContact O-N 3.11Å; T55-K58 PolarHBondContact O-N 3.28Å; M56-K58 PolarHBondContact O-N 3.17Å; K58-L60 PolarHBondContact O-N 3.32Å; K58-I61 CarbonylContact O-C 3.51Å; K58-I61 WeakPolarHBondContact O-CA 3.19Å; K58-I61 WeakPolarHBondContact O-CB 3.47Å; K58-I61 PolarHBondContact O-N 2.87Å; K58-I61 VanDerWaalsContact O-N 3.08Å; K58-D62 PolarHBondContact O-N 3.34Å
59	F	86.4	Confident	85	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-56.6	-45.4	176.6	159.5	-99.7	0	0	0	113.5	T55 M56 R57 I61 D62 I63 V145 I202 F205	T55-F59 WeakPolarHBondContact O-CB 3.26Å; T55-F59 PolarHBondContact O-N 2.02Å; M56-F59 WeakPolarHBondContact O-CB 3.19Å; M56-F59 PolarHBondContact O-N 2.93Å; R57-F59 VanDerWaalsContact C-N 3.35Å; F59-I61 VanDerWaalsContact C-N 3.33Å; F59-I61 PolarHBondContact O-N 3.36Å; F59-D62 PolarHBondContact O-N 2.84Å; F59-I63 HydrophobicContact CD2-CD1 4.25Å; F59-I63 HydrophobicContact CE1-CD1 3.95Å; F59-I63 HydrophobicContact CE2-CD1 3.36Å; F59-I63 HydrophobicContact CE2-CG1 4.01Å; F59-I63 HydrophobicContact CZ-CD1 3.17Å; F59-I63 HydrophobicContact CZ-CG1 4.23Å; F59-I63 PolarHBondContact O-N 3.36Å; F59-V145 HydrophobicContact CE1-CG2 4.29Å; F59-I202 HydrophobicContact CB-CG2 3.67Å; F59-I202 HydrophobicContact CD1-CD1 3.95Å; F59-I202 HydrophobicContact CD1-CG1 4.39Å; F59-I202 HydrophobicContact CD2-CB 4.43Å; F59-I202 HydrophobicContact CD2-CG1 4.12Å; F59-I202 HydrophobicContact CD2-CG2 3.83Å; F59-I202 WeakPolarHBondContact CD2-O 3.4Å; F59-I202 HydrophobicContact CE1-CD1 4.14Å; F59-I202 HydrophobicContact CE1-CG1 4.46Å; F59-I202 HydrophobicContact CE2-CG1 4.18Å; F59-I202 WeakPolarHBondContact CE2-O 3.48Å; F59-I202 HydrophobicContact CG-CD1 4.16Å; F59-I202 HydrophobicContact CG-CG1 4.21Å; F59-I202 HydrophobicContact CG-CG2 3.74Å; F59-I202 HydrophobicContact CZ-CG1 4.35Å; F59-F205 AromaticContact CE2-CD1 3.64Å; F59-F205 HydrophobicContact CE2-CD1 3.64Å; F59-F205 HydrophobicContact CE2-CE1 4.28Å; F59-F205 AromaticContact CZ-CD1 3.37Å; F59-F205 HydrophobicContact CZ-CD1 3.37Å; F59-F205 AromaticContact CZ-CE1 3.64Å; F59-F205 HydrophobicContact CZ-CE1 3.64Å
60	L	88.4	Confident	84.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-44.6	174.8	-67.8	170.2	0	0	0	111.1	F40 I42 M56 R57 K58 D62 I63 L64 I104	F40-L60 HydrophobicContact CB-CD2 3.95Å; F40-L60 HydrophobicContact CD1-CD2 3.33Å; F40-L60 HydrophobicContact CD2-CD2 4.2Å; F40-L60 HydrophobicContact CE1-CD2 3.81Å; F40-L60 HydrophobicContact CG-CD2 3.56Å; F40-L60 HydrophobicContact CZ-CD2 4.41Å; I42-L60 HydrophobicContact CD1-CD1 4.19Å; I42-L60 HydrophobicContact CG2-CD1 3.81Å; I42-L60 HydrophobicContact CG2-CD2 4.21Å; M56-L60 WeakPolarHBondContact O-CG 3.12Å; M56-L60 PolarHBondContact O-N 3.18Å; R57-L60 PolarHBondContact O-N 3.16Å; K58-L60 PolarHBondContact O-N 3.32Å; L60-D62 VanDerWaalsContact C-N 3.3Å; L60-D62 PolarHBondContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 2.81Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 3.13Å; L60-I104 HydrophobicContact CB-CD1 4.33Å; L60-I104 HydrophobicContact CD1-CG2 4.46Å
61	I	89.4	Confident	84.8	Confident	21 Å²	21	40.2 Å²	40.2	11%	0.108	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-41.9	178.2	-69.5	164.2	0	0	0	110.6	R57 K58 F59 L64 N65 V101 I104	R57-I61 WeakPolarHBondContact O-CD1 3.41Å; R57-I61 VanDerWaalsContact O-CG1 3.28Å; R57-I61 WeakPolarHBondContact O-CG1 3.29Å; R57-I61 PolarHBondContact O-N 3.34Å; K58-I61 CarbonylContact O-C 3.51Å; K58-I61 WeakPolarHBondContact O-CA 3.19Å; K58-I61 WeakPolarHBondContact O-CB 3.47Å; K58-I61 PolarHBondContact O-N 2.87Å; K58-I61 VanDerWaalsContact O-N 3.08Å; F59-I61 VanDerWaalsContact C-N 3.33Å; F59-I61 PolarHBondContact O-N 3.36Å; I61-L64 PolarHBondContact O-N 2.71Å; I61-N65 VanDerWaalsContact O-CG 3.24Å; I61-N65 PolarHBondContact O-N 3.35Å; I61-N65 PolarHBondContact O-ND2 3.01Å; I61-N65 VanDerWaalsContact O-ND2 3.07Å; I61-V101 HydrophobicContact CD1-CG1 4.08Å; I61-V101 HydrophobicContact CG1-CG1 4.2Å; I61-V101 HydrophobicContact CG1-CG2 4.36Å; I61-V101 HydrophobicContact CG2-CG1 4.21Å; I61-V101 HydrophobicContact CG2-CG2 4.07Å; I61-I104 HydrophobicContact CD1-CG2 4.17Å; I61-I104 HydrophobicContact CG1-CB 4.45Å; I61-I104 HydrophobicContact CG1-CD1 4.46Å; I61-I104 HydrophobicContact CG1-CG2 4.07Å
62	D	85.4	Confident	84.6	Confident	89 Å²	89	41.4 Å²	41.4	48%	0.476	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-45.8	179.4	-67.5	-23.3	0	0	0	111.2	K58 F59 L60 L64 N65 T66	K58-D62 PolarHBondContact O-N 3.34Å; F59-D62 PolarHBondContact O-N 2.84Å; L60-D62 VanDerWaalsContact C-N 3.3Å; L60-D62 PolarHBondContact O-N 3.08Å; D62-L64 PolarHBondContact O-N 2.01Å; D62-N65 PolarHBondContact O-N 2.87Å; D62-T66 WeakPolarHBondContact O-CG2 3.46Å
63	I	85.5	Confident	84.6	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.036	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-47.3	173.1	-68	178.6	0	0	0	110.5	F40 F59 L60 N65 T66 L67 F205 F209	F40-I63 HydrophobicContact CE1-CD1 4.28Å; F40-I63 HydrophobicContact CZ-CD1 4.46Å; F40-I63 HydrophobicContact CZ-CG2 3.99Å; F59-I63 HydrophobicContact CD2-CD1 4.25Å; F59-I63 HydrophobicContact CE1-CD1 3.95Å; F59-I63 HydrophobicContact CE2-CD1 3.36Å; F59-I63 HydrophobicContact CE2-CG1 4.01Å; F59-I63 HydrophobicContact CZ-CD1 3.17Å; F59-I63 HydrophobicContact CZ-CG1 4.23Å; F59-I63 PolarHBondContact O-N 3.36Å; L60-I63 PolarHBondContact O-N 2.81Å; I63-N65 PolarHBondContact O-N 3.04Å; I63-T66 PolarHBondContact O-N 2.6Å; I63-T66 PolarHBondContact O-OG1 2.79Å; I63-L67 HydrophobicContact CG2-CD1 3.82Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 PolarHBondContact O-N 3.46Å; I63-F205 HydrophobicContact CD1-CD1 4.45Å; I63-F205 HydrophobicContact CD1-CE1 4.11Å; I63-F209 HydrophobicContact CD1-CD1 4.15Å; I63-F209 HydrophobicContact CG2-CD1 4.35Å; I63-F209 HydrophobicContact CG2-CE1 4.36Å
64	L	87.7	Confident	84.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-29.9	-178	-66.7	174.5	0	0	0	113.5	F40 L60 I61 D62 T66 L67 I69 V76 L97 M100 I104	F40-L64 HydrophobicContact CE2-CD2 4.32Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 3.13Å; I61-L64 PolarHBondContact O-N 2.71Å; D62-L64 PolarHBondContact O-N 2.01Å; L64-T66 PolarHBondContact O-N 3.07Å; L64-L67 HydrophobicContact CD2-CD1 4.49Å; L64-L67 PolarHBondContact O-N 3.5Å; L64-I69 HydrophobicContact CB-CD1 4.09Å; L64-I69 HydrophobicContact CD2-CD1 3.81Å; L64-I69 HydrophobicContact CG-CD1 4.48Å; L64-V76 HydrophobicContact CD2-CB 4.12Å; L64-V76 HydrophobicContact CD2-CG1 3.7Å; L64-V76 HydrophobicContact CD2-CG2 3.7Å; L64-L97 HydrophobicContact CB-CD1 3.53Å; L64-L97 WeakPolarHBondContact O-CD1 3.48Å; L64-M100 HydrophobicContact CD1-CB 4.46Å; L64-I104 HydrophobicContact CD1-CD1 3.31Å
65	N	85.3	Confident	84.9	Confident	74 Å²	74	40.9 Å²	40.9	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-27.5	174.9	-74.1	-39.8	0	0	0	112.6	I61 D62 I63 L97	I61-N65 VanDerWaalsContact O-CG 3.24Å; I61-N65 PolarHBondContact O-N 3.35Å; I61-N65 PolarHBondContact O-ND2 3.01Å; I61-N65 VanDerWaalsContact O-ND2 3.07Å; D62-N65 PolarHBondContact O-N 2.87Å; I63-N65 PolarHBondContact O-N 3.04Å; N65-L97 WeakPolarHBondContact OD1-CD2 3.36Å
66	T	79.2	Confident	85.3	Confident	37 Å²	37	38.9 Å²	38.9	23%	0.227	20%	0.201	C	C	.	.	H	α-helix	trans	-86.6	-23.7	-178.8	69.3	0	0	0	0	113.6	C31 D62 I63 L64	C31-T66 WeakPolarHBondContact CB-O 3.18Å; C31-T66 PolarHBondContact N-O 2.95Å; D62-T66 WeakPolarHBondContact O-CG2 3.46Å; I63-T66 PolarHBondContact O-N 2.6Å; I63-T66 PolarHBondContact O-OG1 2.79Å; L64-T66 PolarHBondContact O-N 3.07Å
67	L	80.6	Confident	85.7	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-84.7	146.6	-176.1	-63.9	175.7	0	0	0	113.3	L38 I63 L64 I69 L213	L38-L67 HydrophobicContact CD2-CD1 3.71Å; I63-L67 HydrophobicContact CG2-CD1 3.82Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 PolarHBondContact O-N 3.46Å; L64-L67 HydrophobicContact CD2-CD1 4.49Å; L64-L67 PolarHBondContact O-N 3.5Å; L67-I69 HydrophobicContact CB-CG1 4.27Å; L67-I69 PolarHBondContact O-N 3.38Å; L67-I69 VanDerWaalsContact O-N 3.16Å; L67-L213 HydrophobicContact CD2-CD1 4.47Å
68	D	82.5	Confident	86.1	Confident	52 Å²	52	36.5 Å²	36.5	28%	0.278	19%	0.192	S	C	.	.			trans	-82.4	83.6	171.5	-167.8	17.1	0	0	0	111.9	C31 T73 T74	C31-D68 WeakPolarHBondContact O-CB 3.26Å; C31-D68 PolarHBondContact O-N 2.07Å; D68-T73 VanDerWaalsContact O-CB 3.25Å; D68-T73 WeakPolarHBondContact O-CB 3.26Å; D68-T73 PolarHBondContact O-OG1 3.4Å; D68-T74 PolarHBondContact O-N 3.17Å
69	I	85.3	Confident	86.5	Confident	21 Å²	21	31 Å²	31	11%	0.108	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-79.7	126.3	-176.5	-57.3	-179.9	0	0	0	111.5	L64 L67 T74 V76 L97 M100	L64-I69 HydrophobicContact CB-CD1 4.09Å; L64-I69 HydrophobicContact CD2-CD1 3.81Å; L64-I69 HydrophobicContact CG-CD1 4.48Å; L67-I69 HydrophobicContact CB-CG1 4.27Å; L67-I69 PolarHBondContact O-N 3.38Å; L67-I69 VanDerWaalsContact O-N 3.16Å; I69-T74 WeakPolarHBondContact CA-O 3.05Å; I69-V76 HydrophobicContact CD1-CG2 4.42Å; I69-L97 HydrophobicContact CD1-CB 4.29Å; I69-L97 HydrophobicContact CD1-CD1 3.72Å; I69-M100 HydrophobicContact CD1-SD 3.73Å; I69-M100 HydrophobicContact CG2-CE 3.54Å; I69-M100 HydrophobicContact CG2-SD 3.86Å
70	G	80.9	Confident	86.9	Confident	16 Å²	16	30.7 Å²	30.7	17%	0.165	17%	0.167	C	C	.	.	S	Bend	trans	-174.4	167.8	-178.9	0	0	0	0	0	112.9	D72 T73 T74	G70-D72 VanDerWaalsContact C-N 3.28Å; G70-D72 PolarHBondContact O-N 3.4Å; G70-T73 VanDerWaalsContact CA-OG1 3.22Å; G70-T73 WeakPolarHBondContact CA-OG1 3.41Å; G70-T73 PolarHBondContact N-OG1 3.44Å; G70-T74 PolarHBondContact N-O 3.23Å; G70-T74 VanDerWaalsContact N-O 3.09Å; G70-T74 CarbonylContact O-C 3.31Å
71	L	78.9	Confident	87.1	Confident	95 Å²	95	30.6 Å²	30.6	50%	0.497	17%	0.167	S	C	.	.	S	Bend	trans	-67.6	-29.9	-176.9	-69.1	174.9	0	0	0	113.1	R75 R135	L71-R75 PolarHBondContact O-NE 3.32Å; L71-R75 PolarHBondContact O-NH2 2.86Å; L71-R135 PolarHBondContact O-NH1 2.86Å
72	D	79.6	Confident	87.1	Confident	137 Å²	137	29.6 Å²	29.6	73%	0.733	16%	0.161	S	C	*	.	S	Bend	trans	-108.5	-5.8	-179.2	-59.1	-43.3	0	0	0	112.9	G70 R135	G70-D72 VanDerWaalsContact C-N 3.28Å; G70-D72 PolarHBondContact O-N 3.4Å; D72-R135 PolarHBondContact O-NH1 2.96Å
73	T	82.4	Confident	87.3	Confident	39 Å²	39	27.7 Å²	27.7	24%	0.239	16%	0.155	C	C	.	.	S	Bend	trans	-106.4	-117	176.8	56.5	0	0	0	0	109	P35 V36 D68 G70 R135	P35-T73 VanDerWaalsContact CA-O 3.28Å; P35-T73 WeakPolarHBondContact CA-O 3.31Å; V36-T73 PolarHBondContact N-O 2.78Å; D68-T73 VanDerWaalsContact O-CB 3.25Å; D68-T73 WeakPolarHBondContact O-CB 3.26Å; D68-T73 PolarHBondContact O-OG1 3.4Å; G70-T73 VanDerWaalsContact CA-OG1 3.22Å; G70-T73 WeakPolarHBondContact CA-OG1 3.41Å; G70-T73 PolarHBondContact N-OG1 3.44Å; T73-R135 PolarHBondContact O-NH1 2.87Å; T73-R135 PolarHBondContact O-NH2 3.21Å
74	T	87.9	Confident	87.5	Confident	3 Å²	3	32 Å²	32	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.4	-179.6	-56.4	0	0	0	0	111.5	S33 V36 L38 D68 I69 G70 V76	S33-T74 PolarHBondContact OG-OG1 3.41Å; S33-T74 VanDerWaalsContact OG-OG1 3.07Å; V36-T74 VanDerWaalsContact O-CA 3.3Å; V36-T74 WeakPolarHBondContact O-CA 3.15Å; L38-T74 HydrophobicContact CB-CG2 4.37Å; D68-T74 PolarHBondContact O-N 3.17Å; I69-T74 WeakPolarHBondContact CA-O 3.05Å; G70-T74 PolarHBondContact N-O 3.23Å; G70-T74 VanDerWaalsContact N-O 3.09Å; G70-T74 CarbonylContact O-C 3.31Å; T74-V76 HydrophobicContact CG2-CG2 4.17Å
75	R	91.3	Very high	87.7	Confident	46 Å²	46	33.6 Å²	33.6	17%	0.174	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.2	170.3	-63.1	-178.8	-179	-176.8	-0.2	109.4	V36 D37 L38 L71 L91 G133 R135	V36-R75 PolarHBondContact O-N 3.49Å; D37-R75 WeakPolarHBondContact OD1-CB 3.32Å; L38-R75 PolarHBondContact N-O 2.75Å; L71-R75 PolarHBondContact O-NE 3.32Å; L71-R75 PolarHBondContact O-NH2 2.86Å; R75-L91 HydrophobicContact CB-CB 4.17Å; R75-L91 HydrophobicContact CB-CD2 3.96Å; R75-L91 WeakPolarHBondContact O-CD2 2.98Å; R75-G133 PolarHBondContact NH1-O 3Å; R75-R135 VanDerWaalsContact CZ-CD 3.44Å; R75-R135 VanDerWaalsContact NH1-CG 3.31Å
76	V	93.6	Very high	88.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.1	-176.2	-177.7	0	0	0	0	111.1	L38 F40 L64 I69 T74 V78 F89 M100	L38-V76 HydrophobicContact CB-CG2 4.5Å; L38-V76 CarbonylContact O-C 3.49Å; L38-V76 VanDerWaalsContact O-CA 3.23Å; L38-V76 WeakPolarHBondContact O-CA 3.44Å; F40-V76 HydrophobicContact CD2-CG1 3.98Å; F40-V76 HydrophobicContact CE2-CG1 4.07Å; L64-V76 HydrophobicContact CD2-CB 4.12Å; L64-V76 HydrophobicContact CD2-CG1 3.7Å; L64-V76 HydrophobicContact CD2-CG2 3.7Å; I69-V76 HydrophobicContact CD1-CG2 4.42Å; T74-V76 HydrophobicContact CG2-CG2 4.17Å; V76-V78 HydrophobicContact CG1-CG2 4.5Å; V76-F89 HydrophobicContact CG1-CE2 4.47Å; V76-M100 HydrophobicContact CB-CE 4.09Å; V76-M100 HydrophobicContact CB-SD 4.05Å
77	G	94.4	Very high	88.8	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.9	167.5	0	0	0	0	0	111.1	L38 V39 F40 F89	L38-G77 PolarHBondContact O-N 2.8Å; V39-G77 WeakPolarHBondContact CA-O 3Å; F40-G77 PolarHBondContact N-O 3.34Å; G77-F89 WeakPolarHBondContact CA-O 3.24Å
78	V	96.1	Very high	89.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.9	174.9	177.4	0	0	0	0	109.4	F40 I42 V76 E88 F89 I104 I107	F40-V78 HydrophobicContact CB-CG2 4.33Å; F40-V78 HydrophobicContact CD2-CG2 4.48Å; I42-V78 HydrophobicContact CD1-CG1 3.95Å; I42-V78 HydrophobicContact CG1-CG1 4.43Å; V76-V78 HydrophobicContact CG1-CG2 4.5Å; V78-E88 PolarHBondContact O-N 3.21Å; V78-F89 HydrophobicContact CB-CD1 4.29Å; V78-F89 HydrophobicContact CB-CE1 3.75Å; V78-F89 HydrophobicContact CB-CE2 4.19Å; V78-F89 HydrophobicContact CB-CZ 3.71Å; V78-F89 HydrophobicContact CG2-CE1 3.75Å; V78-F89 HydrophobicContact CG2-CE2 3.81Å; V78-F89 HydrophobicContact CG2-CZ 3.24Å; V78-F89 PolarHBondContact N-O 3.24Å; V78-F89 PolarHBondContact O-N 3.32Å; V78-I104 HydrophobicContact CG2-CD1 4.46Å; V78-I104 HydrophobicContact CG2-CG1 4.5Å; V78-I107 HydrophobicContact CG1-CD1 4.09Å
79	V	95.4	Very high	90.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125	180	-178.9	0	0	0	0	107.9	V39 F40 L41 I42 V85 Y122 A127	V39-V79 HydrophobicContact CG1-CG2 4.04Å; F40-V79 PolarHBondContact O-N 2.64Å; L41-V79 CarbonylContact C-O 3.56Å; L41-V79 VanDerWaalsContact CA-O 3.31Å; L41-V79 WeakPolarHBondContact CA-O 3.35Å; I42-V79 PolarHBondContact N-O 3.09Å; V79-V85 HydrophobicContact CG1-CG1 3.37Å; V79-Y122 HydrophobicContact CG1-CD1 3.97Å; V79-Y122 HydrophobicContact CG1-CE1 4.09Å; V79-Y122 HydrophobicContact CG2-CD1 4.42Å; V79-Y122 HydrophobicContact CG2-CE1 4.11Å; V79-A127 HydrophobicContact CG2-CB 4.44Å
80	Q	94.3	Very high	90.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147	170.7	67.6	164.8	-46.7	0	0	111.2	I42 S44 R86 E88 V108 L110	I42-Q80 HydrophobicContact CD1-CB 4.08Å; I42-Q80 HydrophobicContact CG1-CB 3.64Å; I42-Q80 CarbonylContact O-C 3.53Å; I42-Q80 VanDerWaalsContact O-CA 3.3Å; I42-Q80 WeakPolarHBondContact O-CA 3.36Å; S44-Q80 PolarHBondContact OG-OE1 2.99Å; Q80-R86 HydrophobicContact CG-CB 4.08Å; Q80-R86 PolarHBondContact N-O 3.47Å; Q80-R86 PolarHBondContact O-N 2.77Å; Q80-E88 HydrophobicContact CG-CG 4.15Å; Q80-E88 WeakPolarHBondContact CG-OE1 3.22Å; Q80-E88 PolarHBondContact NE2-OE1 2.85Å; Q80-V108 PolarHBondContact NE2-O 2.76Å; Q80-V108 PolarHBondContact OE1-O 3.36Å; Q80-L110 HydrophobicContact CG-CD1 4.31Å
81	Y	92.9	Very high	91	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.3	178	73.9	-84.9	0	0	0	112.8	L41 I42 D43 S44 Q84 T114 T116 A119 T146	L41-Y81 HydrophobicContact CB-CD1 4.31Å; L41-Y81 HydrophobicContact CB-CE1 4.23Å; I42-Y81 WeakPolarHBondContact O-CD1 3.48Å; I42-Y81 PolarHBondContact O-N 2.82Å; D43-Y81 HydrophobicContact CB-CE1 4.09Å; D43-Y81 HydrophobicContact CB-CE2 4.38Å; S44-Y81 PolarHBondContact N-O 3.01Å; S44-Y81 PolarHBondContact OG-O 2.94Å; Y81-Q84 WeakPolarHBondContact CA-O 3.48Å; Y81-T114 HydrophobicContact CE2-CG2 4.23Å; Y81-T116 HydrophobicContact CE2-CG2 4.1Å; Y81-T116 WeakPolarHBondContact CE2-OG1 3.25Å; Y81-T116 WeakPolarHBondContact OH-CG2 3.31Å; Y81-T116 PolarHBondContact OH-OG1 3.32Å; Y81-A119 HydrophobicContact CD1-CB 3.79Å; Y81-A119 HydrophobicContact CD2-CB 3.86Å; Y81-A119 HydrophobicContact CE1-CB 4.4Å; Y81-A119 HydrophobicContact CE2-CB 4.46Å; Y81-A119 HydrophobicContact CG-CB 3.48Å; Y81-A119 VanDerWaalsContact CG-CB 3.48Å; Y81-T146 WeakPolarHBondContact OH-CB 3.19Å
82	S	90.9	Very high	91.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-146.5	-115.3	168.2	61.4	0	0	0	0	108.8	Q84 L110 G113 M115	S82-Q84 PolarHBondContact N-O 3Å; S82-L110 WeakPolarHBondContact OG-CB 3.43Å; S82-L110 WeakPolarHBondContact OG-CD1 3.11Å; S82-G113 CarbonylContact C-O 3.5Å; S82-G113 WeakPolarHBondContact CA-O 3.4Å; S82-G113 WeakPolarHBondContact CB-O 3.34Å; S82-M115 WeakPolarHBondContact O-CB 3.44Å; S82-M115 PolarHBondContact O-N 2.95Å
83	S	88.4	Confident	92.1	Very high	48 Å²	48	32.4 Å²	32.4	34%	0.336	16%	0.164	S	C	.	.	S	Bend	trans	-73.4	-15.4	163.8	-62.9	0	0	0	0	112.9	Q112 G113	S83-Q112 WeakPolarHBondContact OG-CB 3.5Å; S83-G113 PolarHBondContact N-O 3.27Å; S83-G113 WeakPolarHBondContact OG-CA 3.47Å; S83-G113 PolarHBondContact OG-N 3.14Å
84	Q	88.9	Confident	92.4	Very high	98 Å²	98	32.5 Å²	32.5	46%	0.458	16%	0.162	S	C	.	.	S	Bend	trans	-135.5	155.5	177.9	64.3	-175.5	32.9	0	0	109.2	Y81 S82 L110	Y81-Q84 WeakPolarHBondContact CA-O 3.48Å; S82-Q84 PolarHBondContact N-O 3Å; Q84-L110 HydrophobicContact CG-CD1 3.9Å
85	V	92.9	Very high	92.3	Very high	33 Å²	33	35 Å²	35	20%	0.2	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.1	179.1	-174.1	0	0	0	0	108.9	V79 L118 A119 Y122	V79-V85 HydrophobicContact CG1-CG1 3.37Å; V85-L118 HydrophobicContact CG2-CB 4.45Å; V85-L118 HydrophobicContact CG2-CD2 4.07Å; V85-L118 HydrophobicContact CG2-CG 3.84Å; V85-A119 HydrophobicContact CG2-CB 4.15Å; V85-Y122 HydrophobicContact CB-CG 4.3Å; V85-Y122 HydrophobicContact CG1-CD1 3.65Å; V85-Y122 HydrophobicContact CG1-CD2 4.18Å; V85-Y122 HydrophobicContact CG1-CE1 4.27Å; V85-Y122 HydrophobicContact CG1-CG 3.6Å
86	R	93.6	Very high	92.1	Very high	116 Å²	116	39 Å²	39	44%	0.438	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.1	177.7	-179.1	179.2	154.3	179.6	-13	109.6	Q80 E88 L110	Q80-R86 HydrophobicContact CG-CB 4.08Å; Q80-R86 PolarHBondContact N-O 3.47Å; Q80-R86 PolarHBondContact O-N 2.77Å; R86-E88 WeakPolarHBondContact CD-OE1 3.29Å; R86-E88 WeakPolarHBondContact CG-OE1 3.4Å; R86-E88 IonicContact CZ-OE1 2.74Å; R86-E88 IonicContact CZ-OE2 2.79Å; R86-E88 IonicContact NE-OE1 3.39Å; R86-E88 PolarHBondContact NE-OE1 2.87Å; R86-E88 IonicContact NE-OE2 3.67Å; R86-E88 IonicContact NH2-OE1 2.67Å; R86-E88 IonicContact NH2-OE2 2.6Å; R86-E88 PolarHBondContact NH2-OE2 2.94Å; R86-L110 HydrophobicContact CB-CD1 4.5Å
87	S	93.6	Very high	91.8	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.8	170.5	-179.5	0	0	0	0	109.3	Y122	S87-Y122 WeakPolarHBondContact CB-OH 3.28Å
88	E	94.8	Very high	91.5	Very high	40 Å²	40	47.9 Å²	47.9	19%	0.187	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-41.5	174.8	-63.8	-54.3	136.5	0	0	110.5	V78 Q80 R86 I107	V78-E88 PolarHBondContact O-N 3.21Å; Q80-E88 HydrophobicContact CG-CG 4.15Å; Q80-E88 WeakPolarHBondContact CG-OE1 3.22Å; Q80-E88 PolarHBondContact NE2-OE1 2.85Å; R86-E88 WeakPolarHBondContact CD-OE1 3.29Å; R86-E88 WeakPolarHBondContact CG-OE1 3.4Å; R86-E88 IonicContact CZ-OE1 2.74Å; R86-E88 IonicContact CZ-OE2 2.79Å; R86-E88 IonicContact NE-OE1 3.39Å; R86-E88 PolarHBondContact NE-OE1 2.87Å; R86-E88 IonicContact NE-OE2 3.67Å; R86-E88 IonicContact NH2-OE1 2.67Å; R86-E88 IonicContact NH2-OE2 2.6Å; R86-E88 PolarHBondContact NH2-OE2 2.94Å; E88-I107 HydrophobicContact CB-CD1 4.22Å; E88-I107 HydrophobicContact CB-CG1 4.28Å; E88-I107 HydrophobicContact CG-CD1 3.86Å; E88-I107 HydrophobicContact CG-CG1 3.83Å; E88-I107 HydrophobicContact CG-CG2 4.22Å
89	F	95	Very high	91.3	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	150.6	165.8	56.4	-93.5	0	0	0	110.8	V76 G77 V78 T93 H94 M100 A103 I104	V76-F89 HydrophobicContact CG1-CE2 4.47Å; G77-F89 WeakPolarHBondContact CA-O 3.24Å; V78-F89 HydrophobicContact CB-CD1 4.29Å; V78-F89 HydrophobicContact CB-CE1 3.75Å; V78-F89 HydrophobicContact CB-CE2 4.19Å; V78-F89 HydrophobicContact CB-CZ 3.71Å; V78-F89 HydrophobicContact CG2-CE1 3.75Å; V78-F89 HydrophobicContact CG2-CE2 3.81Å; V78-F89 HydrophobicContact CG2-CZ 3.24Å; V78-F89 PolarHBondContact N-O 3.24Å; V78-F89 PolarHBondContact O-N 3.32Å; F89-T93 HydrophobicContact CB-CG2 3.81Å; F89-H94 AromaticContact CD2-CD2 3.91Å; F89-H94 AromaticContact CG-CD2 3.69Å; F89-M100 HydrophobicContact CE2-CG 4.16Å; F89-M100 HydrophobicContact CZ-CB 4.18Å; F89-M100 HydrophobicContact CZ-CG 4.31Å; F89-A103 HydrophobicContact CD1-CB 3.74Å; F89-A103 HydrophobicContact CE1-CB 3.89Å; F89-I104 HydrophobicContact CE1-CG1 3.87Å; F89-I104 HydrophobicContact CZ-CD1 4.29Å; F89-I104 HydrophobicContact CZ-CG1 4.12Å
90	S	94.4	Very high	91.2	Very high	10 Å²	10	51.4 Å²	51.4	7%	0.07	26%	0.259	C	S	.	.			trans	-98.8	172.3	179.6	62.8	0	0	0	0	112.6	K92 T93 Q132	S90-K92 PolarHBondContact O-N 3.19Å; S90-T93 PolarHBondContact N-OG1 2.68Å; S90-T93 VanDerWaalsContact N-OG1 3.08Å; S90-T93 WeakPolarHBondContact O-CB 3.22Å; S90-T93 PolarHBondContact O-N 3.21Å; S90-T93 PolarHBondContact O-OG1 3.29Å; S90-T93 PolarHBondContact OG-OG1 2.8Å; S90-Q132 WeakPolarHBondContact CB-O 3.44Å; S90-Q132 VanDerWaalsContact CB-OE1 3.26Å; S90-Q132 PolarHBondContact OG-O 3.26Å; S90-Q132 PolarHBondContact OG-OE1 3.12Å
91	L	92.3	Very high	91.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.3	-176.7	-64.2	167.1	0	0	0	113.5	D37 V39 R75 F128 Q132 D134	D37-L91 HydrophobicContact CB-CD1 4.04Å; D37-L91 HydrophobicContact CB-CD2 4.26Å; V39-L91 HydrophobicContact CG2-CD1 4.34Å; V39-L91 HydrophobicContact CG2-CD2 3.97Å; V39-L91 HydrophobicContact CG2-CG 4.21Å; R75-L91 HydrophobicContact CB-CB 4.17Å; R75-L91 HydrophobicContact CB-CD2 3.96Å; R75-L91 WeakPolarHBondContact O-CD2 2.98Å; L91-F128 HydrophobicContact CD1-CD1 4.04Å; L91-F128 HydrophobicContact CD1-CE1 4.28Å; L91-Q132 PolarHBondContact N-O 2.83Å; L91-D134 HydrophobicContact CD1-CB 4.32Å
92	K	90.3	Very high	91.1	Very high	122 Å²	122	59.1 Å²	59.1	53%	0.53	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-12.2	177.2	69	-178.4	-176.5	177.9	0	115.3	S90 G131 Q132	S90-K92 PolarHBondContact O-N 3.19Å; K92-G131 VanDerWaalsContact CE-O 3.28Å; K92-G131 WeakPolarHBondContact CE-O 3.43Å; K92-G131 PolarHBondContact NZ-O 2.97Å; K92-Q132 WeakPolarHBondContact CG-O 3.39Å; K92-Q132 PolarHBondContact N-O 2.85Å
93	T	90.1	Very high	91.1	Very high	73 Å²	73	60.1 Å²	60.1	45%	0.448	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-40.3	-168.1	-58.7	0	0	0	0	112.4	F89 S90	F89-T93 HydrophobicContact CB-CG2 3.81Å; S90-T93 PolarHBondContact N-OG1 2.68Å; S90-T93 VanDerWaalsContact N-OG1 3.08Å; S90-T93 WeakPolarHBondContact O-CB 3.22Å; S90-T93 PolarHBondContact O-N 3.21Å; S90-T93 PolarHBondContact O-OG1 3.29Å; S90-T93 PolarHBondContact OG-OG1 2.8Å
94	H	90	Very high	91.4	Very high	41 Å²	41	57.8 Å²	57.8	19%	0.19	29%	0.287	C	S	.	.			trans	-128	135.9	-178	-62.3	-44.6	0	0	0	110.1	F89 N99 M100	F89-H94 AromaticContact CD2-CD2 3.91Å; F89-H94 AromaticContact CG-CD2 3.69Å; H94-N99 HydrophobicContact CB-CB 4.36Å; H94-M100 HydrophobicContact CB-CE 3.85Å; H94-M100 HydrophobicContact CB-CG 3.48Å; H94-M100 VanDerWaalsContact CB-CG 3.48Å; H94-M100 WeakPolarHBondContact O-CE 3.38Å
95	S	84.2	Confident	91.5	Very high	56 Å²	56	56.7 Å²	56.7	39%	0.392	29%	0.285	S	S	.	.	S	Bend	trans	-116.3	1.2	176.2	56.6	0	0	0	0	112.9
96	K	87.3	Confident	91.5	Very high	131 Å²	131	61.2 Å²	61.2	57%	0.57	30%	0.303	S	S	*	.	S	Bend	trans	-129.9	135.5	180	-67.9	-173.5	177.8	-173	0	109.9	E98 N99 M100	K96-E98 VanDerWaalsContact C-N 3.31Å; K96-E98 PolarHBondContact O-N 3.28Å; K96-N99 PolarHBondContact O-N 3.01Å; K96-M100 PolarHBondContact O-N 3.16Å
97	L	87.8	Confident	91.3	Very high	29 Å²	29	55.8 Å²	55.8	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-53	-44.8	178.3	176.6	61.4	0	0	0	112.7	L64 N65 I69 N99 M100 V101	L64-L97 HydrophobicContact CB-CD1 3.53Å; L64-L97 WeakPolarHBondContact O-CD1 3.48Å; N65-L97 WeakPolarHBondContact OD1-CD2 3.36Å; I69-L97 HydrophobicContact CD1-CB 4.29Å; I69-L97 HydrophobicContact CD1-CD1 3.72Å; L97-N99 VanDerWaalsContact C-N 3.25Å; L97-N99 PolarHBondContact O-N 3.4Å; L97-M100 WeakPolarHBondContact O-CB 3.39Å; L97-M100 PolarHBondContact O-N 2.05Å; L97-V101 HydrophobicContact CD1-CG2 3.82Å; L97-V101 HydrophobicContact CG-CG2 4.16Å; L97-V101 WeakPolarHBondContact O-CG2 2.99Å; L97-V101 PolarHBondContact O-N 3.4Å
98	E	89.3	Confident	91.1	Very high	158 Å²	158	58.3 Å²	58.3	74%	0.738	30%	0.297	S	S	*	.	H	α-helix	trans	-54.8	-40.1	-179.6	-65.6	173.5	-176.9	0	0	112.9	K96 K102	K96-E98 VanDerWaalsContact C-N 3.31Å; K96-E98 PolarHBondContact O-N 3.28Å; E98-K102 PolarHBondContact O-N 3.08Å; E98-K102 VanDerWaalsContact O-N 3.13Å
99	N	91.6	Very high	90.8	Very high	77 Å²	77	59.1 Å²	59.1	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-73	-37.6	179.2	-67.6	-24.6	0	0	0	111.7	H94 K96 L97 K102 A103	H94-N99 HydrophobicContact CB-CB 4.36Å; K96-N99 PolarHBondContact O-N 3.01Å; L97-N99 VanDerWaalsContact C-N 3.25Å; L97-N99 PolarHBondContact O-N 3.4Å; N99-K102 PolarHBondContact O-N 2.95Å; N99-A103 WeakPolarHBondContact O-CB 2.94Å; N99-A103 PolarHBondContact O-N 3.46Å
100	M	92.4	Very high	90.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-45.6	176.2	-64.6	178.3	177.4	0	0	111.2	L64 I69 V76 F89 H94 K96 L97 K102 A103 I104	L64-M100 HydrophobicContact CD1-CB 4.46Å; I69-M100 HydrophobicContact CD1-SD 3.73Å; I69-M100 HydrophobicContact CG2-CE 3.54Å; I69-M100 HydrophobicContact CG2-SD 3.86Å; V76-M100 HydrophobicContact CB-CE 4.09Å; V76-M100 HydrophobicContact CB-SD 4.05Å; F89-M100 HydrophobicContact CE2-CG 4.16Å; F89-M100 HydrophobicContact CZ-CB 4.18Å; F89-M100 HydrophobicContact CZ-CG 4.31Å; H94-M100 HydrophobicContact CB-CE 3.85Å; H94-M100 HydrophobicContact CB-CG 3.48Å; H94-M100 VanDerWaalsContact CB-CG 3.48Å; H94-M100 WeakPolarHBondContact O-CE 3.38Å; K96-M100 PolarHBondContact O-N 3.16Å; L97-M100 WeakPolarHBondContact O-CB 3.39Å; L97-M100 PolarHBondContact O-N 2.05Å; M100-K102 VanDerWaalsContact C-N 3.28Å; M100-K102 PolarHBondContact O-N 2.85Å; M100-A103 PolarHBondContact O-N 3.03Å; M100-A103 VanDerWaalsContact O-N 3.16Å; M100-I104 VanDerWaalsContact O-CG1 3.3Å; M100-I104 WeakPolarHBondContact O-CG1 3.19Å; M100-I104 PolarHBondContact O-N 3.47Å
101	V	92.4	Very high	89.7	Confident	31 Å²	31	62.4 Å²	62.4	19%	0.188	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-41.5	176.9	172.7	0	0	0	0	110.7	I61 L97 I104 N105	I61-V101 HydrophobicContact CD1-CG1 4.08Å; I61-V101 HydrophobicContact CG1-CG1 4.2Å; I61-V101 HydrophobicContact CG1-CG2 4.36Å; I61-V101 HydrophobicContact CG2-CG1 4.21Å; I61-V101 HydrophobicContact CG2-CG2 4.07Å; L97-V101 HydrophobicContact CD1-CG2 3.82Å; L97-V101 HydrophobicContact CG-CG2 4.16Å; L97-V101 WeakPolarHBondContact O-CG2 2.99Å; L97-V101 PolarHBondContact O-N 3.4Å; V101-I104 PolarHBondContact O-N 3.48Å; V101-N105 PolarHBondContact O-N 2.57Å; V101-N105 VanDerWaalsContact O-N 3.1Å; V101-N105 PolarHBondContact O-ND2 3.29Å
102	K	92.3	Very high	89.2	Confident	130 Å²	130	66.7 Å²	66.7	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-47.7	174.5	-172.8	179.8	176.3	-175.4	0	111.9	E98 N99 M100 I104 N105 E106	E98-K102 PolarHBondContact O-N 3.08Å; E98-K102 VanDerWaalsContact O-N 3.13Å; N99-K102 PolarHBondContact O-N 2.95Å; M100-K102 VanDerWaalsContact C-N 3.28Å; M100-K102 PolarHBondContact O-N 2.85Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 3.43Å; K102-N105 PolarHBondContact O-N 3.29Å; K102-E106 WeakPolarHBondContact CE-OE1 3.18Å; K102-E106 WeakPolarHBondContact O-CG 3.34Å; K102-E106 PolarHBondContact O-N 2.67Å
103	A	92.7	Very high	89	Confident	21 Å²	21	61.4 Å²	61.4	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-40.8	178.9	0	0	0	0	0	112.1	F89 N99 M100 E106 I107	F89-A103 HydrophobicContact CD1-CB 3.74Å; F89-A103 HydrophobicContact CE1-CB 3.89Å; N99-A103 WeakPolarHBondContact O-CB 2.94Å; N99-A103 PolarHBondContact O-N 3.46Å; M100-A103 PolarHBondContact O-N 3.03Å; M100-A103 VanDerWaalsContact O-N 3.16Å; A103-E106 PolarHBondContact O-N 3.13Å; A103-I107 WeakPolarHBondContact O-CG1 3.27Å; A103-I107 PolarHBondContact O-N 3.12Å
104	I	93.6	Very high	88.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-42.3	177.9	-68.2	167.3	0	0	0	111.7	R57 L60 I61 L64 V78 F89 M100 V101 K102 E106 I107	R57-I104 HydrophobicContact CB-CG2 4.1Å; R57-I104 WeakPolarHBondContact CD-O 3.21Å; R57-I104 HydrophobicContact CG-CG2 4.1Å; L60-I104 HydrophobicContact CB-CD1 4.33Å; L60-I104 HydrophobicContact CD1-CG2 4.46Å; I61-I104 HydrophobicContact CD1-CG2 4.17Å; I61-I104 HydrophobicContact CG1-CB 4.45Å; I61-I104 HydrophobicContact CG1-CD1 4.46Å; I61-I104 HydrophobicContact CG1-CG2 4.07Å; L64-I104 HydrophobicContact CD1-CD1 3.31Å; V78-I104 HydrophobicContact CG2-CD1 4.46Å; V78-I104 HydrophobicContact CG2-CG1 4.5Å; F89-I104 HydrophobicContact CE1-CG1 3.87Å; F89-I104 HydrophobicContact CZ-CD1 4.29Å; F89-I104 HydrophobicContact CZ-CG1 4.12Å; M100-I104 VanDerWaalsContact O-CG1 3.3Å; M100-I104 WeakPolarHBondContact O-CG1 3.19Å; M100-I104 PolarHBondContact O-N 3.47Å; V101-I104 PolarHBondContact O-N 3.48Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 3.43Å; I104-E106 PolarHBondContact O-N 3.35Å; I104-I107 HydrophobicContact CB-CD1 4.38Å; I104-I107 HydrophobicContact CG1-CD1 4.41Å; I104-I107 HydrophobicContact CG2-CD1 4.39Å; I104-I107 WeakPolarHBondContact O-CB 3.17Å; I104-I107 WeakPolarHBondContact O-CG1 3.43Å; I104-I107 PolarHBondContact O-N 3.44Å
105	N	91.3	Very high	88.8	Confident	75 Å²	75	58.9 Å²	58.9	40%	0.401	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-22	178.2	-76	-45.6	0	0	0	113.4	R57 V101 K102	R57-N105 PolarHBondContact NH1-O 3.17Å; V101-N105 PolarHBondContact O-N 2.57Å; V101-N105 VanDerWaalsContact O-N 3.1Å; V101-N105 PolarHBondContact O-ND2 3.29Å; K102-N105 PolarHBondContact O-N 3.29Å
106	E	91.8	Very high	89.1	Confident	128 Å²	128	56.2 Å²	56.2	60%	0.598	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.1	178.8	-69	176	-173.2	0	0	113.4	K102 A103 I104 V108	K102-E106 WeakPolarHBondContact CE-OE1 3.18Å; K102-E106 WeakPolarHBondContact O-CG 3.34Å; K102-E106 PolarHBondContact O-N 2.67Å; A103-E106 PolarHBondContact O-N 3.13Å; I104-E106 PolarHBondContact O-N 3.35Å; E106-V108 PolarHBondContact O-N 2.94Å
107	I	90.9	Very high	89.3	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.268	C	S	.	.			trans	-63.9	129.2	179.7	-61.1	175.8	0	0	0	110.9	I42 F53 R57 V78 E88 A103 I104	I42-I107 HydrophobicContact CD1-CD1 4.13Å; F53-I107 HydrophobicContact CE1-CB 4.47Å; F53-I107 HydrophobicContact CE1-CG2 3.98Å; F53-I107 HydrophobicContact CZ-CG2 3.77Å; R57-I107 PolarHBondContact NH1-O 3.49Å; R57-I107 VanDerWaalsContact NH1-O 3.13Å; V78-I107 HydrophobicContact CG1-CD1 4.09Å; E88-I107 HydrophobicContact CB-CD1 4.22Å; E88-I107 HydrophobicContact CB-CG1 4.28Å; E88-I107 HydrophobicContact CG-CD1 3.86Å; E88-I107 HydrophobicContact CG-CG1 3.83Å; E88-I107 HydrophobicContact CG-CG2 4.22Å; A103-I107 WeakPolarHBondContact O-CG1 3.27Å; A103-I107 PolarHBondContact O-N 3.12Å; I104-I107 HydrophobicContact CB-CD1 4.38Å; I104-I107 HydrophobicContact CG1-CD1 4.41Å; I104-I107 HydrophobicContact CG2-CD1 4.39Å; I104-I107 WeakPolarHBondContact O-CB 3.17Å; I104-I107 WeakPolarHBondContact O-CG1 3.43Å; I104-I107 PolarHBondContact O-N 3.44Å
108	V	88.9	Confident	89.5	Confident	95 Å²	95	51.9 Å²	51.9	58%	0.576	28%	0.277	S	S	*	.			trans	-104.4	122.3	173.2	-179.6	0	0	0	0	109.4	Q80 E106	Q80-V108 PolarHBondContact NE2-O 2.76Å; Q80-V108 PolarHBondContact OE1-O 3.36Å; E106-V108 PolarHBondContact O-N 2.94Å
109	P	88.6	Confident	89.7	Confident	56 Å²	56	44.3 Å²	44.3	36%	0.364	24%	0.242	S	C	.	.			trans	-69.8	148	-178.3	27.7	-33.8	0	0	0	112.2	F53	F53-P109 HydrophobicContact CD1-CB 4.14Å; F53-P109 HydrophobicContact CD1-CG 4.19Å; F53-P109 HydrophobicContact CD2-CB 4.09Å; F53-P109 HydrophobicContact CE1-CB 4.1Å; F53-P109 HydrophobicContact CE1-CG 4.38Å; F53-P109 HydrophobicContact CE2-CB 4.09Å; F53-P109 HydrophobicContact CG-CB 4.14Å; F53-P109 HydrophobicContact CG-CG 4.44Å; F53-P109 HydrophobicContact CZ-CB 4.09Å
110	L	85.8	Confident	89.8	Confident	34 Å²	34	40.7 Å²	40.7	18%	0.178	22%	0.223	C	C	.	.			trans	-84.6	-29	-173.8	-63.4	171	0	0	0	113.3	S44 Q80 S82 Q84 R86 Q112	S44-L110 PolarHBondContact OG-N 2.96Å; Q80-L110 HydrophobicContact CG-CD1 4.31Å; S82-L110 WeakPolarHBondContact OG-CB 3.43Å; S82-L110 WeakPolarHBondContact OG-CD1 3.11Å; Q84-L110 HydrophobicContact CG-CD1 3.9Å; R86-L110 HydrophobicContact CB-CD1 4.5Å; L110-Q112 WeakPolarHBondContact O-CG 3.03Å; L110-Q112 PolarHBondContact O-N 3.16Å
111	A	80.6	Confident	89.9	Confident	50 Å²	50	46.9 Å²	46.9	41%	0.413	25%	0.246	S	C	.	.			trans	55.7	37.6	174.4	0	0	0	0	0	115.8	S44	S44-A111 WeakPolarHBondContact O-CA 3.47Å; S44-A111 PolarHBondContact O-N 2.95Å
112	Q	82.3	Confident	90	Very high	92 Å²	92	48.2 Å²	48.2	43%	0.43	25%	0.248	S	C	.	.	S	Bend	trans	-110.4	-136.7	177.5	-58.2	-170.9	-2.5	0	0	112.7	R46 S83 L110	R46-Q112 WeakPolarHBondContact CB-O 3Å; R46-Q112 PolarHBondContact N-O 3.19Å; S83-Q112 WeakPolarHBondContact OG-CB 3.5Å; L110-Q112 WeakPolarHBondContact O-CG 3.03Å; L110-Q112 PolarHBondContact O-N 3.16Å
113	G	84.4	Confident	90.1	Very high	10 Å²	10	42 Å²	42	10%	0.103	22%	0.221	C	C	.	.			trans	-81.9	-170.6	178.4	0	0	0	0	0	113.1	S45 S82 S83	S45-G113 WeakPolarHBondContact CB-O 3.02Å; S82-G113 CarbonylContact C-O 3.5Å; S82-G113 WeakPolarHBondContact CA-O 3.4Å; S82-G113 WeakPolarHBondContact CB-O 3.34Å; S83-G113 PolarHBondContact N-O 3.27Å; S83-G113 WeakPolarHBondContact OG-CA 3.47Å; S83-G113 PolarHBondContact OG-N 3.14Å
114	T	86.4	Confident	90.1	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.043	22%	0.215	C	C	.	.			trans	-127.9	77.1	-173.9	-46.4	0	0	0	0	109.9	D43 S45 Y81 T116 Q151	D43-T114 VanDerWaalsContact OD2-CG2 3.3Å; D43-T114 WeakPolarHBondContact OD2-CG2 3.38Å; S45-T114 WeakPolarHBondContact CB-OG1 3.04Å; S45-T114 PolarHBondContact OG-OG1 2.95Å; Y81-T114 HydrophobicContact CE2-CG2 4.23Å; T114-T116 PolarHBondContact O-N 2.95Å; T114-Q151 PolarHBondContact O-N 3.1Å
115	M	90.1	Very high	90	Very high	54 Å²	54	45.2 Å²	45.2	27%	0.266	24%	0.235	S	C	.	.			trans	-94.1	70.8	-178.9	-60.1	-68.2	162.8	0	0	110.5	S82 G117 L118 A119 Q151 D152	S82-M115 WeakPolarHBondContact O-CB 3.44Å; S82-M115 PolarHBondContact O-N 2.95Å; M115-G117 VanDerWaalsContact C-N 3.35Å; M115-L118 HydrophobicContact CB-CB 3.95Å; M115-L118 HydrophobicContact CB-CD2 4.4Å; M115-L118 WeakPolarHBondContact O-CB 3.28Å; M115-L118 PolarHBondContact O-N 3.43Å; M115-A119 PolarHBondContact O-N 3.34Å; M115-Q151 HydrophobicContact CE-CB 3.76Å; M115-Q151 HydrophobicContact SD-CB 4.12Å; M115-D152 HydrophobicContact SD-CB 3.91Å
116	T	90.8	Very high	90.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-33.7	-176.3	-44.5	0	0	0	0	112.1	Y81 T114 L118 A119 I120 I144 D152 V154 M184	Y81-T116 HydrophobicContact CE2-CG2 4.1Å; Y81-T116 WeakPolarHBondContact CE2-OG1 3.25Å; Y81-T116 WeakPolarHBondContact OH-CG2 3.31Å; Y81-T116 PolarHBondContact OH-OG1 3.32Å; T114-T116 PolarHBondContact O-N 2.95Å; T116-L118 PolarHBondContact O-N 3.49Å; T116-A119 WeakPolarHBondContact O-CB 3Å; T116-A119 PolarHBondContact O-N 3.14Å; T116-A119 VanDerWaalsContact O-N 3.13Å; T116-I120 HydrophobicContact CG2-CD1 4.39Å; T116-I120 WeakPolarHBondContact O-CG1 3.1Å; T116-I120 PolarHBondContact O-N 2.98Å; T116-I144 HydrophobicContact CG2-CG2 4.04Å; T116-D152 PolarHBondContact N-OD1 2.85Å; T116-D152 VanDerWaalsContact N-OD1 3.13Å; T116-V154 HydrophobicContact CG2-CG1 4.47Å; T116-M184 HydrophobicContact CG2-CE 4.39Å; T116-M184 HydrophobicContact CG2-SD 3.4Å; T116-M184 WeakPolarHBondContact CG2-SD 3.48Å
117	G	90.7	Very high	90.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-40.5	175.9	0	0	0	0	0	112.2	M115 A119 I120 R121 D152	M115-G117 VanDerWaalsContact C-N 3.35Å; G117-A119 VanDerWaalsContact C-N 3.28Å; G117-A119 PolarHBondContact O-N 3.26Å; G117-I120 PolarHBondContact O-N 2.96Å; G117-R121 PolarHBondContact O-N 3.03Å; G117-D152 WeakPolarHBondContact CA-OD2 3.26Å; G117-D152 VanDerWaalsContact N-CG 3.31Å; G117-D152 PolarHBondContact N-OD1 2.89Å; G117-D152 PolarHBondContact N-OD2 3.3Å
118	L	92.1	Very high	90.3	Very high	68 Å²	68	41 Å²	41	36%	0.356	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-39.3	171.4	-176.9	66.1	0	0	0	111.7	V85 M115 T116 R121 Y122 D152	V85-L118 HydrophobicContact CG2-CB 4.45Å; V85-L118 HydrophobicContact CG2-CD2 4.07Å; V85-L118 HydrophobicContact CG2-CG 3.84Å; M115-L118 HydrophobicContact CB-CB 3.95Å; M115-L118 HydrophobicContact CB-CD2 4.4Å; M115-L118 WeakPolarHBondContact O-CB 3.28Å; M115-L118 PolarHBondContact O-N 3.43Å; T116-L118 PolarHBondContact O-N 3.49Å; L118-R121 PolarHBondContact O-N 2.93Å; L118-Y122 PolarHBondContact O-N 3.06Å; L118-D152 PolarHBondContact N-OD2 3.04Å
119	A	93.3	Very high	90.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-45.2	178.1	0	0	0	0	0	112.1	L41 Y81 V85 M115 T116 G117 R121 Y122 L123	L41-A119 HydrophobicContact CD2-CB 3.58Å; L41-A119 WeakPolarHBondContact CD2-O 3.38Å; Y81-A119 HydrophobicContact CD1-CB 3.79Å; Y81-A119 HydrophobicContact CD2-CB 3.86Å; Y81-A119 HydrophobicContact CE1-CB 4.4Å; Y81-A119 HydrophobicContact CE2-CB 4.46Å; Y81-A119 HydrophobicContact CG-CB 3.48Å; Y81-A119 VanDerWaalsContact CG-CB 3.48Å; V85-A119 HydrophobicContact CG2-CB 4.15Å; M115-A119 PolarHBondContact O-N 3.34Å; T116-A119 WeakPolarHBondContact O-CB 3Å; T116-A119 PolarHBondContact O-N 3.14Å; T116-A119 VanDerWaalsContact O-N 3.13Å; G117-A119 VanDerWaalsContact C-N 3.28Å; G117-A119 PolarHBondContact O-N 3.26Å; A119-R121 VanDerWaalsContact C-N 3.29Å; A119-R121 PolarHBondContact O-N 2.99Å; A119-Y122 WeakPolarHBondContact O-CB 3.49Å; A119-Y122 PolarHBondContact O-N 3.49Å; A119-L123 PolarHBondContact O-N 3.02Å
120	I	94.3	Very high	90.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-36	174.6	-61.2	167.8	0	0	0	110.9	T116 G117 L123 M124 I144 V157 A158 A161 M184	T116-I120 HydrophobicContact CG2-CD1 4.39Å; T116-I120 WeakPolarHBondContact O-CG1 3.1Å; T116-I120 PolarHBondContact O-N 2.98Å; G117-I120 PolarHBondContact O-N 2.96Å; I120-L123 VanDerWaalsContact O-CB 3.32Å; I120-L123 WeakPolarHBondContact O-CB 3.22Å; I120-L123 PolarHBondContact O-N 2.98Å; I120-M124 PolarHBondContact O-N 3.34Å; I120-M124 VanDerWaalsContact O-N 3.13Å; I120-I144 HydrophobicContact CD1-CD1 3.85Å; I120-I144 HydrophobicContact CG1-CD1 3.72Å; I120-V157 HydrophobicContact CB-CG1 4.08Å; I120-V157 HydrophobicContact CG2-CG1 3.89Å; I120-A158 HydrophobicContact CD1-CB 4.26Å; I120-A161 HydrophobicContact CG2-CB 3.96Å; I120-M184 HydrophobicContact CD1-CB 4.48Å; I120-M184 HydrophobicContact CD1-CG 4Å; I120-M184 HydrophobicContact CD1-SD 4.05Å
121	R	94	Very high	90.6	Very high	130 Å²	130	40.8 Å²	40.8	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-40.7	174.4	-171.1	179.5	-64.8	162.7	2.1	112.4	G117 L118 A119 L123 M124 N125 V157	G117-R121 PolarHBondContact O-N 3.03Å; L118-R121 PolarHBondContact O-N 2.93Å; A119-R121 VanDerWaalsContact C-N 3.29Å; A119-R121 PolarHBondContact O-N 2.99Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-M124 PolarHBondContact O-N 3.4Å; R121-N125 WeakPolarHBondContact CG-ND2 3.13Å; R121-N125 WeakPolarHBondContact O-CB 3.33Å; R121-N125 PolarHBondContact O-N 3.43Å; R121-N125 VanDerWaalsContact O-N 3.15Å; R121-N125 PolarHBondContact O-ND2 3.32Å; R121-V157 HydrophobicContact CB-CG1 4.06Å
122	Y	94.6	Very high	91.2	Very high	59 Å²	59	41 Å²	41	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-40.4	174.6	-177.7	-91.3	0	0	0	111.3	V79 V85 S87 L118 A119 M124 N125 E126 A127	V79-Y122 HydrophobicContact CG1-CD1 3.97Å; V79-Y122 HydrophobicContact CG1-CE1 4.09Å; V79-Y122 HydrophobicContact CG2-CD1 4.42Å; V79-Y122 HydrophobicContact CG2-CE1 4.11Å; V85-Y122 HydrophobicContact CB-CG 4.3Å; V85-Y122 HydrophobicContact CG1-CD1 3.65Å; V85-Y122 HydrophobicContact CG1-CD2 4.18Å; V85-Y122 HydrophobicContact CG1-CE1 4.27Å; V85-Y122 HydrophobicContact CG1-CG 3.6Å; S87-Y122 WeakPolarHBondContact CB-OH 3.28Å; L118-Y122 PolarHBondContact O-N 3.06Å; A119-Y122 WeakPolarHBondContact O-CB 3.49Å; A119-Y122 PolarHBondContact O-N 3.49Å; Y122-M124 VanDerWaalsContact C-N 3.34Å; Y122-M124 PolarHBondContact O-N 3.27Å; Y122-N125 PolarHBondContact O-N 2.83Å; Y122-E126 HydrophobicContact CD1-CB 4.35Å; Y122-E126 HydrophobicContact CD2-CB 3.86Å; Y122-E126 HydrophobicContact CD2-CG 3.81Å; Y122-E126 HydrophobicContact CE1-CB 4.09Å; Y122-E126 HydrophobicContact CE2-CB 3.56Å; Y122-E126 HydrophobicContact CE2-CG 3.66Å; Y122-E126 HydrophobicContact CG-CB 4.24Å; Y122-E126 WeakPolarHBondContact O-CA 3.47Å; Y122-E126 WeakPolarHBondContact O-CB 3.21Å; Y122-E126 PolarHBondContact O-N 3.23Å; Y122-A127 HydrophobicContact CD1-CB 4.49Å; Y122-A127 HydrophobicContact CE1-CB 4.4Å; Y122-A127 PolarHBondContact O-N 2.79Å; Y122-A127 VanDerWaalsContact O-N 3.11Å
123	L	94.3	Very high	91.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-53.8	-50.4	175.1	179.4	71.4	0	0	0	111.6	V39 L41 A119 I120 R121 A127 F128 A142 I166	V39-L123 HydrophobicContact CB-CD1 3.68Å; V39-L123 HydrophobicContact CG1-CD1 3.51Å; V39-L123 HydrophobicContact CG2-CD1 4.24Å; L41-L123 HydrophobicContact CD1-CB 4.21Å; L41-L123 HydrophobicContact CD1-CD1 3.66Å; L41-L123 HydrophobicContact CD1-CD2 3.73Å; L41-L123 HydrophobicContact CD1-CG 4.04Å; L41-L123 HydrophobicContact CD2-CB 4.36Å; A119-L123 PolarHBondContact O-N 3.02Å; I120-L123 VanDerWaalsContact O-CB 3.32Å; I120-L123 WeakPolarHBondContact O-CB 3.22Å; I120-L123 PolarHBondContact O-N 2.98Å; R121-L123 VanDerWaalsContact C-N 3.33Å; L123-A127 HydrophobicContact CD1-CB 3.99Å; L123-A127 PolarHBondContact O-N 2.51Å; L123-F128 HydrophobicContact CD1-CD2 3.56Å; L123-F128 HydrophobicContact CD1-CE2 3.24Å; L123-F128 HydrophobicContact CD1-CZ 4.11Å; L123-F128 HydrophobicContact CD2-CD2 4.44Å; L123-F128 HydrophobicContact CD2-CE2 4.05Å; L123-F128 HydrophobicContact CG-CD2 3.68Å; L123-F128 HydrophobicContact CG-CE2 3.62Å; L123-F128 PolarHBondContact O-N 3.46Å; L123-A142 HydrophobicContact CD1-CB 4.22Å; L123-A142 HydrophobicContact CD2-CB 3.41Å; L123-A142 VanDerWaalsContact CD2-CB 3.41Å; L123-A142 HydrophobicContact CG-CB 4.38Å; L123-I166 HydrophobicContact CD2-CG2 4.18Å
124	M	92.8	Very high	91.9	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.054	20%	0.203	C	C	.	.	I	π-helix	trans	-67.2	-39.8	-179	-70.5	-169.3	-73.5	0	0	114.5	I120 R121 Y122 V157 E160 A161 I166	I120-M124 PolarHBondContact O-N 3.34Å; I120-M124 VanDerWaalsContact O-N 3.13Å; R121-M124 PolarHBondContact O-N 3.4Å; Y122-M124 VanDerWaalsContact C-N 3.34Å; Y122-M124 PolarHBondContact O-N 3.27Å; M124-V157 HydrophobicContact CE-CG1 3.48Å; M124-V157 VanDerWaalsContact CE-CG1 3.48Å; M124-E160 HydrophobicContact CE-CB 4.34Å; M124-E160 HydrophobicContact CE-CG 4.39Å; M124-E160 HydrophobicContact SD-CB 4.13Å; M124-E160 HydrophobicContact SD-CG 4.01Å; M124-A161 HydrophobicContact CG-CB 3.69Å; M124-A161 WeakPolarHBondContact SD-CA 3.31Å; M124-A161 HydrophobicContact SD-CB 3.57Å; M124-A161 VanDerWaalsContact SD-CB 3.57Å; M124-A161 PolarHBondContact SD-N 3.48Å; M124-I166 HydrophobicContact CB-CD1 4.47Å; M124-I166 HydrophobicContact CG-CD1 3.83Å
125	N	91.3	Very high	92	Very high	78 Å²	78	38.8 Å²	38.8	42%	0.417	21%	0.206	S	C	.	.	I	π-helix	trans	-96.4	-26.1	-168.4	-66.7	-31.3	0	0	0	113.2	R121 Y122 R164	R121-N125 WeakPolarHBondContact CG-ND2 3.13Å; R121-N125 WeakPolarHBondContact O-CB 3.33Å; R121-N125 PolarHBondContact O-N 3.43Å; R121-N125 VanDerWaalsContact O-N 3.15Å; R121-N125 PolarHBondContact O-ND2 3.32Å; Y122-N125 PolarHBondContact O-N 2.83Å; N125-R164 PolarHBondContact OD1-NH1 2.74Å
126	E	93.6	Very high	91.6	Very high	92 Å²	92	41.7 Å²	41.7	43%	0.43	23%	0.229	S	C	.	.	I	π-helix	trans	-122.5	-52.9	-172.9	-62.3	-67.5	157.5	0	0	111.5	Y122 S129 Q132	Y122-E126 HydrophobicContact CD1-CB 4.35Å; Y122-E126 HydrophobicContact CD2-CB 3.86Å; Y122-E126 HydrophobicContact CD2-CG 3.81Å; Y122-E126 HydrophobicContact CE1-CB 4.09Å; Y122-E126 HydrophobicContact CE2-CB 3.56Å; Y122-E126 HydrophobicContact CE2-CG 3.66Å; Y122-E126 HydrophobicContact CG-CB 4.24Å; Y122-E126 WeakPolarHBondContact O-CA 3.47Å; Y122-E126 WeakPolarHBondContact O-CB 3.21Å; Y122-E126 PolarHBondContact O-N 3.23Å; E126-S129 VanDerWaalsContact O-CB 3.31Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.12Å; E126-S129 PolarHBondContact O-OG 3.47Å; E126-Q132 WeakPolarHBondContact O-CB 3.16Å; E126-Q132 WeakPolarHBondContact O-CG 3.49Å
127	A	92.8	Very high	91	Very high	8 Å²	8	52 Å²	52	7%	0.066	27%	0.274	C	S	.	.	I	π-helix	trans	-67.6	-47.6	-171.8	0	0	0	0	0	112.8	V39 V79 Y122 L123 S129	V39-A127 HydrophobicContact CG1-CB 4.29Å; V39-A127 HydrophobicContact CG2-CB 4.43Å; V79-A127 HydrophobicContact CG2-CB 4.44Å; Y122-A127 HydrophobicContact CD1-CB 4.49Å; Y122-A127 HydrophobicContact CE1-CB 4.4Å; Y122-A127 PolarHBondContact O-N 2.79Å; Y122-A127 VanDerWaalsContact O-N 3.11Å; L123-A127 HydrophobicContact CD1-CB 3.99Å; L123-A127 PolarHBondContact O-N 2.51Å; A127-S129 VanDerWaalsContact C-N 3.26Å; A127-S129 PolarHBondContact O-N 3.25Å
128	F	94.6	Very high	90.7	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.066	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	54	170.7	-67.7	-62.2	0	0	0	111.5	D37 V39 L91 L123 N140 V141 A142 I166	D37-F128 HydrophobicContact CB-CE1 4.24Å; D37-F128 WeakPolarHBondContact O-CE1 3.46Å; V39-F128 HydrophobicContact CB-CE1 4.39Å; V39-F128 HydrophobicContact CB-CE2 4.29Å; V39-F128 HydrophobicContact CB-CZ 3.85Å; V39-F128 HydrophobicContact CG2-CD1 4.25Å; V39-F128 HydrophobicContact CG2-CE1 3.62Å; V39-F128 HydrophobicContact CG2-CE2 4.2Å; V39-F128 HydrophobicContact CG2-CZ 3.58Å; L91-F128 HydrophobicContact CD1-CD1 4.04Å; L91-F128 HydrophobicContact CD1-CE1 4.28Å; L123-F128 HydrophobicContact CD1-CD2 3.56Å; L123-F128 HydrophobicContact CD1-CE2 3.24Å; L123-F128 HydrophobicContact CD1-CZ 4.11Å; L123-F128 HydrophobicContact CD2-CD2 4.44Å; L123-F128 HydrophobicContact CD2-CE2 4.05Å; L123-F128 HydrophobicContact CG-CD2 3.68Å; L123-F128 HydrophobicContact CG-CE2 3.62Å; L123-F128 PolarHBondContact O-N 3.46Å; F128-N140 HydrophobicContact CD1-CB 3.81Å; F128-N140 VanDerWaalsContact CD1-CG 3.43Å; F128-N140 HydrophobicContact CD2-CB 4.4Å; F128-N140 HydrophobicContact CE1-CB 3.66Å; F128-N140 HydrophobicContact CE2-CB 4.25Å; F128-N140 HydrophobicContact CG-CB 4.2Å; F128-N140 HydrophobicContact CZ-CB 3.9Å; F128-V141 WeakPolarHBondContact CZ-O 3.08Å; F128-A142 HydrophobicContact CE2-CB 4.25Å; F128-I166 HydrophobicContact CD2-CD1 3.84Å; F128-I166 HydrophobicContact CD2-CG1 4.11Å; F128-I166 HydrophobicContact CD2-CG2 4.23Å; F128-I166 HydrophobicContact CE2-CD1 4.43Å; F128-I166 HydrophobicContact CE2-CG1 4.41Å; F128-I166 HydrophobicContact CE2-CG2 3.73Å
129	S	92.8	Very high	90.4	Very high	23 Å²	23	52.7 Å²	52.7	16%	0.161	28%	0.282	C	S	.	.	S	Bend	trans	-111.4	146.9	171.2	71	0	0	0	0	110.6	E126 A127 G131 Q132 G133 D134	E126-S129 VanDerWaalsContact O-CB 3.31Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.12Å; E126-S129 PolarHBondContact O-OG 3.47Å; A127-S129 VanDerWaalsContact C-N 3.26Å; A127-S129 PolarHBondContact O-N 3.25Å; S129-G131 PolarHBondContact O-N 2.98Å; S129-G131 VanDerWaalsContact O-N 3.1Å; S129-Q132 WeakPolarHBondContact O-CA 3.09Å; S129-Q132 PolarHBondContact O-N 3.2Å; S129-Q132 WeakPolarHBondContact OG-CG 3.47Å; S129-Q132 PolarHBondContact OG-N 2.91Å; S129-G133 PolarHBondContact O-N 2.61Å; S129-D134 VanDerWaalsContact C-CB 3.43Å; S129-D134 VanDerWaalsContact O-CB 3.26Å; S129-D134 WeakPolarHBondContact O-CB 3.49Å; S129-D134 PolarHBondContact O-N 2.88Å
130	P	89	Confident	90.4	Very high	110 Å²	110	53.8 Å²	53.8	71%	0.714	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-56.4	-31.5	175.3	-26.6	34.2	0	0	0	112.3	Q132 G133	P130-Q132 PolarHBondContact O-N 3.39Å; P130-G133 PolarHBondContact O-N 3.46Å
131	G	89.1	Confident	90.3	Very high	48 Å²	48	54 Å²	54	50%	0.495	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-64	-24.1	174.7	0	0	0	0	0	113.9	K92 S129	K92-G131 VanDerWaalsContact CE-O 3.28Å; K92-G131 WeakPolarHBondContact CE-O 3.43Å; K92-G131 PolarHBondContact NZ-O 2.97Å; S129-G131 PolarHBondContact O-N 2.98Å; S129-G131 VanDerWaalsContact O-N 3.1Å
132	Q	92.3	Very high	90.3	Very high	54 Å²	54	47.9 Å²	47.9	25%	0.252	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-103.4	3.1	178.9	-66.3	-55.6	-21.7	0	0	114.5	S90 L91 K92 E126 S129 P130	S90-Q132 WeakPolarHBondContact CB-O 3.44Å; S90-Q132 VanDerWaalsContact CB-OE1 3.26Å; S90-Q132 PolarHBondContact OG-O 3.26Å; S90-Q132 PolarHBondContact OG-OE1 3.12Å; L91-Q132 PolarHBondContact N-O 2.83Å; K92-Q132 WeakPolarHBondContact CG-O 3.39Å; K92-Q132 PolarHBondContact N-O 2.85Å; E126-Q132 WeakPolarHBondContact O-CB 3.16Å; E126-Q132 WeakPolarHBondContact O-CG 3.49Å; S129-Q132 WeakPolarHBondContact O-CA 3.09Å; S129-Q132 PolarHBondContact O-N 3.2Å; S129-Q132 WeakPolarHBondContact OG-CG 3.47Å; S129-Q132 PolarHBondContact OG-N 2.91Å; P130-Q132 PolarHBondContact O-N 3.39Å
133	G	88.4	Confident	90.3	Very high	7 Å²	7	45 Å²	45	7%	0.072	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.2	6.6	172.8	0	0	0	0	0	115.5	R75 S129 P130	R75-G133 PolarHBondContact NH1-O 3Å; S129-G133 PolarHBondContact O-N 2.61Å; P130-G133 PolarHBondContact O-N 3.46Å
134	D	92.7	Very high	90.2	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.144	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-60.4	135.2	171.3	-175.7	62.1	0	0	0	111.6	L91 S129 N140	L91-D134 HydrophobicContact CD1-CB 4.32Å; S129-D134 VanDerWaalsContact C-CB 3.43Å; S129-D134 VanDerWaalsContact O-CB 3.26Å; S129-D134 WeakPolarHBondContact O-CB 3.49Å; S129-D134 PolarHBondContact O-N 2.88Å; D134-N140 VanDerWaalsContact OD1-CG 3.3Å; D134-N140 PolarHBondContact OD1-ND2 2.76Å; D134-N140 PolarHBondContact OD1-OD1 2.03Å
135	R	89.4	Confident	90.1	Very high	29 Å²	29	44.6 Å²	44.6	11%	0.109	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-103.4	129.6	-178.3	-70.4	178.2	-75.4	178.5	1.4	110.7	V36 D37 L71 D72 T73 R75 K137 V138	V36-R135 PolarHBondContact O-NH2 3.03Å; V36-R135 VanDerWaalsContact O-NH2 3.08Å; D37-R135 IonicContact OD1-CZ 3.35Å; D37-R135 VanDerWaalsContact OD1-CZ 3.23Å; D37-R135 IonicContact OD1-NE 2.9Å; D37-R135 PolarHBondContact OD1-NE 3.33Å; D37-R135 IonicContact OD1-NH2 3.43Å; D37-R135 PolarHBondContact OD1-NH2 3.43Å; D37-R135 WeakPolarHBondContact OD2-CB 3.41Å; D37-R135 PolarHBondContact OD2-N 3.27Å; D37-R135 IonicContact OD2-NE 2.81Å; L71-R135 PolarHBondContact O-NH1 2.86Å; D72-R135 PolarHBondContact O-NH1 2.96Å; T73-R135 PolarHBondContact O-NH1 2.87Å; T73-R135 PolarHBondContact O-NH2 3.21Å; R75-R135 VanDerWaalsContact CZ-CD 3.44Å; R75-R135 VanDerWaalsContact NH1-CG 3.31Å; R135-K137 PolarHBondContact O-N 2.91Å; R135-V138 HydrophobicContact CB-CB 3.81Å; R135-V138 HydrophobicContact CB-CG2 3.53Å; R135-V138 HydrophobicContact CG-CG2 4.43Å; R135-V138 PolarHBondContact O-N 3.17Å
136	P	81	Confident	90	Very high	115 Å²	115	41 Å²	41	75%	0.747	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	133.9	175.6	27.6	-33.3	0	0	0	110.3	V138	P136-V138 VanDerWaalsContact C-N 3.28Å; P136-V138 PolarHBondContact O-N 2.71Å
137	K	77.5	Confident	89.4	Confident	217 Å²	217	37.2 Å²	37.2	94%	0.943	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	13.7	179.8	-48	178.5	176.8	-176.1	0	115.5	R135	R135-K137 PolarHBondContact O-N 2.91Å
138	V	84.9	Confident	88.4	Confident	25 Å²	25	37.4 Å²	37.4	15%	0.152	22%	0.219	C	C	.	.	S	Bend	trans	-98.3	138.9	167.9	172.9	0	0	0	0	108	P35 D37 R135 P136 N140	P35-V138 HydrophobicContact CB-CG1 4.37Å; P35-V138 HydrophobicContact CB-CG2 4.33Å; P35-V138 WeakPolarHBondContact O-CG1 3.18Å; D37-V138 HydrophobicContact CB-CG1 4.37Å; R135-V138 HydrophobicContact CB-CB 3.81Å; R135-V138 HydrophobicContact CB-CG2 3.53Å; R135-V138 HydrophobicContact CG-CG2 4.43Å; R135-V138 PolarHBondContact O-N 3.17Å; P136-V138 VanDerWaalsContact C-N 3.28Å; P136-V138 PolarHBondContact O-N 2.71Å; V138-N140 PolarHBondContact O-N 2.01Å
139	P	87	Confident	87.7	Confident	58 Å²	58	44.4 Å²	44.4	38%	0.377	25%	0.245	S	C	.	.			trans	-61.1	133.5	177.4	-23.8	34.4	0	0	0	112.3	P35 D37	P35-P139 WeakPolarHBondContact O-CD 3.49Å; D37-P139 PolarHBondContact N-O 3.44Å
140	N	92.1	Very high	87.4	Confident	24 Å²	24	44.5 Å²	44.5	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.1	178.1	-74.8	-9.5	0	0	0	109.6	D37 F128 D134 V138 I166 E167	D37-N140 WeakPolarHBondContact CB-OD1 3.2Å; F128-N140 HydrophobicContact CD1-CB 3.81Å; F128-N140 VanDerWaalsContact CD1-CG 3.43Å; F128-N140 HydrophobicContact CD2-CB 4.4Å; F128-N140 HydrophobicContact CE1-CB 3.66Å; F128-N140 HydrophobicContact CE2-CB 4.25Å; F128-N140 HydrophobicContact CG-CB 4.2Å; F128-N140 HydrophobicContact CZ-CB 3.9Å; D134-N140 VanDerWaalsContact OD1-CG 3.3Å; D134-N140 PolarHBondContact OD1-ND2 2.76Å; D134-N140 PolarHBondContact OD1-OD1 2.03Å; V138-N140 PolarHBondContact O-N 2.01Å; N140-I166 HydrophobicContact CB-CG1 4.24Å; N140-I166 WeakPolarHBondContact O-CA 3.13Å; N140-E167 PolarHBondContact O-N 3.13Å
141	V	92.6	Very high	87.2	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.2	-176.8	-178.7	0	0	0	0	109.6	V36 D37 L38 V39 F128 E167 Y169	V36-V141 HydrophobicContact CG1-CB 4.2Å; V36-V141 HydrophobicContact CG1-CG2 3.79Å; D37-V141 PolarHBondContact O-N 2.01Å; L38-V141 CarbonylContact C-O 3.49Å; L38-V141 WeakPolarHBondContact CA-O 2.99Å; L38-V141 HydrophobicContact CD1-CB 3.96Å; L38-V141 HydrophobicContact CD1-CG1 3.77Å; V39-V141 PolarHBondContact N-O 2.66Å; F128-V141 WeakPolarHBondContact CZ-O 3.08Å; V141-E167 CarbonylContact C-O 3.48Å; V141-E167 WeakPolarHBondContact CA-O 2.87Å; V141-E167 HydrophobicContact CG2-CB 4.39Å; V141-Y169 HydrophobicContact CG1-CD2 3.74Å; V141-Y169 HydrophobicContact CG1-CE2 3.78Å
142	A	94.1	Very high	87.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.8	177.9	0	0	0	0	0	111.1	V39 L41 L123 F128 I166 E167 I168 Y169	V39-A142 VanDerWaalsContact O-CA 3.31Å; V39-A142 WeakPolarHBondContact O-CA 3.06Å; L41-A142 HydrophobicContact CD1-CB 4.23Å; L123-A142 HydrophobicContact CD1-CB 4.22Å; L123-A142 HydrophobicContact CD2-CB 3.41Å; L123-A142 VanDerWaalsContact CD2-CB 3.41Å; L123-A142 HydrophobicContact CG-CB 4.38Å; F128-A142 HydrophobicContact CE2-CB 4.25Å; A142-I166 HydrophobicContact CB-CG2 4.04Å; A142-E167 PolarHBondContact N-O 3.41Å; A142-I168 HydrophobicContact CB-CG1 4.46Å; A142-I168 CarbonylContact O-C 3.43Å; A142-I168 WeakPolarHBondContact O-CA 3.32Å; A142-Y169 PolarHBondContact O-N 3.35Å
143	V	93.4	Very high	86.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.2	174.4	-179.1	0	0	0	0	108.3	L38 V39 F40 L41 V145 Y169 V171 F205 F209	L38-V143 HydrophobicContact CD1-CG2 3.89Å; V39-V143 PolarHBondContact O-N 3.35Å; F40-V143 CarbonylContact C-O 3.59Å; F40-V143 WeakPolarHBondContact CA-O 3.45Å; F40-V143 HydrophobicContact CD1-CB 3.62Å; F40-V143 HydrophobicContact CD1-CG1 3.89Å; F40-V143 HydrophobicContact CD1-CG2 4.26Å; F40-V143 HydrophobicContact CE1-CB 3.77Å; F40-V143 HydrophobicContact CE1-CG1 3.92Å; F40-V143 HydrophobicContact CE1-CG2 3.95Å; L41-V143 PolarHBondContact N-O 2.97Å; V143-V145 HydrophobicContact CG1-CG2 4.2Å; V143-Y169 CarbonylContact C-O 3.56Å; V143-Y169 WeakPolarHBondContact CA-O 3.33Å; V143-V171 HydrophobicContact CG1-CG2 4.08Å; V143-F205 HydrophobicContact CG1-CE1 4.06Å; V143-F205 HydrophobicContact CG1-CZ 4Å; V143-F209 HydrophobicContact CG2-CE1 4.05Å; V143-F209 HydrophobicContact CG2-CE2 3.78Å; V143-F209 HydrophobicContact CG2-CZ 3.37Å
144	I	92.9	Very high	86.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	178.6	-55.4	177.9	0	0	0	108.2	L41 T116 I120 I168 Y169 V171	L41-I144 HydrophobicContact CB-CG1 4.24Å; L41-I144 HydrophobicContact CD1-CG1 4.08Å; L41-I144 WeakPolarHBondContact O-CA 3.5Å; T116-I144 HydrophobicContact CG2-CG2 4.04Å; I120-I144 HydrophobicContact CD1-CD1 3.85Å; I120-I144 HydrophobicContact CG1-CD1 3.72Å; I144-I168 HydrophobicContact CD1-CG2 3.48Å; I144-I168 VanDerWaalsContact CD1-CG2 3.48Å; I144-I168 HydrophobicContact CG1-CG2 3.99Å; I144-Y169 PolarHBondContact N-O 3.5Å; I144-V171 PolarHBondContact O-N 2.88Å
145	V	91.4	Very high	86.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.8	174.8	-172	0	0	0	0	108.6	L41 D43 M56 F59 V143 V171 V173 I202	L41-V145 PolarHBondContact O-N 2.81Å; D43-V145 WeakPolarHBondContact CB-O 3.06Å; D43-V145 PolarHBondContact N-O 3.36Å; M56-V145 HydrophobicContact CG-CG1 4.49Å; M56-V145 HydrophobicContact SD-CG1 3.79Å; F59-V145 HydrophobicContact CE1-CG2 4.29Å; V143-V145 HydrophobicContact CG1-CG2 4.2Å; V145-V171 WeakPolarHBondContact CA-O 3.42Å; V145-V171 HydrophobicContact CG2-CB 4.26Å; V145-V173 HydrophobicContact CG1-CG2 4.34Å; V145-I202 HydrophobicContact CG1-CD1 3.9Å
146	T	89.4	Confident	86.5	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.2	-179.7	-172.8	0	0	0	0	112.5	D43 Y81 G148 V171 G172 V173 L181 M184	D43-T146 PolarHBondContact OD2-OG1 3.11Å; Y81-T146 WeakPolarHBondContact OH-CB 3.19Å; T146-G148 PolarHBondContact OG1-O 2.87Å; T146-V171 PolarHBondContact N-O 2.78Å; T146-G172 CarbonylContact O-C 3.58Å; T146-G172 WeakPolarHBondContact O-CA 3.44Å; T146-V173 PolarHBondContact O-N 2.8Å; T146-L181 HydrophobicContact CG2-CD2 3.83Å; T146-M184 HydrophobicContact CG2-CE 4.38Å
147	D	80.4	Confident	87	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.064	25%	0.252	C	S	.	.	S	Bend	trans	-108.7	-0.3	-179.6	84.3	-36.5	0	0	0	113.9	S47 V48 V173 R175 A176 F199	S47-D147 WeakPolarHBondContact CB-OD1 3.47Å; S47-D147 WeakPolarHBondContact CB-OD2 3.43Å; S47-D147 PolarHBondContact OG-OD1 2.89Å; S47-D147 PolarHBondContact OG-OD2 2.68Å; V48-D147 HydrophobicContact CG2-CB 4.01Å; V48-D147 WeakPolarHBondContact CG2-OD1 3.44Å; V48-D147 WeakPolarHBondContact CG2-OD2 3.39Å; V48-D147 PolarHBondContact N-OD2 3.03Å; V48-D147 VanDerWaalsContact N-OD2 3.1Å; D147-V173 VanDerWaalsContact CA-O 3.3Å; D147-V173 WeakPolarHBondContact CA-O 3.48Å; D147-R175 CarbonylContact O-C 3.53Å; D147-A176 PolarHBondContact O-N 2.79Å; D147-F199 HydrophobicContact CB-CE2 3.95Å; D147-F199 HydrophobicContact CB-CZ 3.68Å
148	G	71.6	Confident	87.7	Confident	12 Å²	12	42 Å²	42	12%	0.124	21%	0.207	C	C	.	.	S	Bend	trans	-151.9	174.5	-166.1	0	0	0	0	0	114.2	T146	T146-G148 PolarHBondContact OG1-O 2.87Å
149	R	80.5	Confident	87.8	Confident	163 Å²	163	42.3 Å²	42.3	62%	0.615	21%	0.212	S	C	*	.			trans	-76.7	134	176.8	-70.9	-177.4	-178.8	-164.7	-5.8	110.2	D177	R149-D177 HydrophobicContact CG-CB 3.67Å; R149-D177 IonicContact CZ-OD1 3.18Å; R149-D177 VanDerWaalsContact CZ-OD1 3.29Å; R149-D177 IonicContact NE-OD1 3.72Å; R149-D177 PolarHBondContact NE-OD1 3.07Å; R149-D177 IonicContact NH2-OD1 2.69Å; R149-D177 PolarHBondContact NH2-OD1 3Å
150	P	85.4	Confident	88.1	Confident	24 Å²	24	43.3 Å²	43.3	16%	0.156	21%	0.211	C	C	.	.			trans	-61.4	141.8	174.7	26.4	-33.4	0	0	0	110.5	D152 V154	P150-D152 VanDerWaalsContact C-N 3.35Å; P150-V154 HydrophobicContact CB-CG1 3.53Å; P150-V154 HydrophobicContact CG-CG1 3.73Å; P150-V154 HydrophobicContact CG-CG2 3.95Å
151	Q	85.3	Confident	88	Confident	123 Å²	123	42.1 Å²	42.1	58%	0.575	21%	0.205	S	C	*	.	S	Bend	trans	-89.9	-6.1	178.3	-65.6	178.4	-14.1	0	0	112.4	T114 M115	T114-Q151 PolarHBondContact O-N 3.1Å; M115-Q151 HydrophobicContact CE-CB 3.76Å; M115-Q151 HydrophobicContact SD-CB 4.12Å
152	D	87.4	Confident	87.9	Confident	44 Å²	44	45.4 Å²	45.4	24%	0.235	22%	0.217	C	C	.	.	S	Bend	trans	-124.4	173.9	177.8	62.3	-14.8	0	0	0	112	M115 T116 G117 L118 P150 V154	M115-D152 HydrophobicContact SD-CB 3.91Å; T116-D152 PolarHBondContact N-OD1 2.85Å; T116-D152 VanDerWaalsContact N-OD1 3.13Å; G117-D152 WeakPolarHBondContact CA-OD2 3.26Å; G117-D152 VanDerWaalsContact N-CG 3.31Å; G117-D152 PolarHBondContact N-OD1 2.89Å; G117-D152 PolarHBondContact N-OD2 3.3Å; L118-D152 PolarHBondContact N-OD2 3.04Å; P150-D152 VanDerWaalsContact C-N 3.35Å; D152-V154 PolarHBondContact O-N 3.19Å
153	R	85.9	Confident	87.6	Confident	188 Å²	188	53.4 Å²	53.4	71%	0.709	25%	0.254	S	S	*	.			trans	-79.8	116.6	-178.3	-66.9	-173.9	179.4	-169.2	1.7	110.6	E156	R153-E156 IonicContact NH1-OE1 2.84Å; R153-E156 PolarHBondContact NH1-OE1 3.35Å
154	V	89.7	Confident	87.3	Confident	11 Å²	11	59.7 Å²	59.7	7%	0.067	28%	0.278	C	S	.	.			trans	-99.2	-30.6	-178.1	-65	0	0	0	0	114.4	T116 P150 D152 E156 V157 A158 A183 M184	T116-V154 HydrophobicContact CG2-CG1 4.47Å; P150-V154 HydrophobicContact CB-CG1 3.53Å; P150-V154 HydrophobicContact CG-CG1 3.73Å; P150-V154 HydrophobicContact CG-CG2 3.95Å; D152-V154 PolarHBondContact O-N 3.19Å; V154-E156 PolarHBondContact O-N 3.29Å; V154-V157 PolarHBondContact O-N 2.97Å; V154-A158 WeakPolarHBondContact O-CB 3.17Å; V154-A158 PolarHBondContact O-N 3.01Å; V154-A183 HydrophobicContact CG2-CB 4.34Å; V154-M184 HydrophobicContact CB-CG 3.72Å; V154-M184 HydrophobicContact CB-SD 4.05Å; V154-M184 HydrophobicContact CG1-CG 4.31Å; V154-M184 HydrophobicContact CG1-SD 3.96Å; V154-M184 HydrophobicContact CG2-CG 3.78Å; V154-M184 HydrophobicContact CG2-SD 4.27Å
155	A	86.2	Confident	87	Confident	53 Å²	53	62.2 Å²	62.2	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-46.7	-170.6	0	0	0	0	0	113.6	A159 A183	A155-A159 WeakPolarHBondContact O-CB 3.26Å; A155-A159 PolarHBondContact O-N 3.38Å; A155-A183 HydrophobicContact CB-CB 4.12Å
156	E	87.9	Confident	87	Confident	127 Å²	127	62.5 Å²	62.5	59%	0.593	31%	0.306	S	S	*	.	H	α-helix	trans	-65.6	-44.3	-179.4	-65.3	168.9	-154.6	0	0	111.3	R153 V154 A159 E160	R153-E156 IonicContact NH1-OE1 2.84Å; R153-E156 PolarHBondContact NH1-OE1 3.35Å; V154-E156 PolarHBondContact O-N 3.29Å; E156-A159 PolarHBondContact O-N 3.38Å; E156-E160 PolarHBondContact O-N 3.24Å; E156-E160 VanDerWaalsContact O-N 3.1Å
157	V	90.6	Very high	87	Confident	10 Å²	10	64.6 Å²	64.6	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-72.5	-36.3	-177.1	-173.1	0	0	0	0	111.4	I120 R121 M124 V154 E160 A161	I120-V157 HydrophobicContact CB-CG1 4.08Å; I120-V157 HydrophobicContact CG2-CG1 3.89Å; R121-V157 HydrophobicContact CB-CG1 4.06Å; M124-V157 HydrophobicContact CE-CG1 3.48Å; M124-V157 VanDerWaalsContact CE-CG1 3.48Å; V154-V157 PolarHBondContact O-N 2.97Å; V157-E160 PolarHBondContact O-N 3.17Å; V157-A161 PolarHBondContact O-N 3.21Å
158	A	91.9	Very high	87.6	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.4	-37.6	173.4	0	0	0	0	0	112	I120 V154 A161 R162 I168 A183	I120-A158 HydrophobicContact CD1-CB 4.26Å; V154-A158 WeakPolarHBondContact O-CB 3.17Å; V154-A158 PolarHBondContact O-N 3.01Å; A158-A161 PolarHBondContact O-N 3.13Å; A158-R162 VanDerWaalsContact O-CG 3.32Å; A158-R162 WeakPolarHBondContact O-CG 3.04Å; A158-R162 PolarHBondContact O-N 2.9Å; A158-I168 HydrophobicContact CB-CD1 4.49Å; A158-A183 WeakPolarHBondContact CB-O 3.39Å
159	A	88.7	Confident	88.6	Confident	31 Å²	31	63.7 Å²	63.7	26%	0.256	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-45.4	173.2	0	0	0	0	0	111.8	A155 E156 A161 R162 E163	A155-A159 WeakPolarHBondContact O-CB 3.26Å; A155-A159 PolarHBondContact O-N 3.38Å; E156-A159 PolarHBondContact O-N 3.38Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 3.08Å; A159-R162 VanDerWaalsContact CA-NH2 3.29Å; A159-R162 PolarHBondContact O-N 3Å; A159-E163 WeakPolarHBondContact O-CG 3.46Å; A159-E163 PolarHBondContact O-N 3.48Å
160	E	91.9	Very high	89.1	Confident	78 Å²	78	56 Å²	56	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-40.1	175.1	-170.2	-175.9	173.3	0	0	112.1	M124 E156 V157 R162 E163 R164	M124-E160 HydrophobicContact CE-CB 4.34Å; M124-E160 HydrophobicContact CE-CG 4.39Å; M124-E160 HydrophobicContact SD-CB 4.13Å; M124-E160 HydrophobicContact SD-CG 4.01Å; E156-E160 PolarHBondContact O-N 3.24Å; E156-E160 VanDerWaalsContact O-N 3.1Å; V157-E160 PolarHBondContact O-N 3.17Å; E160-R162 PolarHBondContact O-N 2.86Å; E160-E163 PolarHBondContact O-N 2.65Å; E160-R164 WeakPolarHBondContact O-CG 3.45Å; E160-R164 PolarHBondContact O-N 3.01Å; E160-R164 VanDerWaalsContact O-N 3.15Å; E160-R164 IonicContact OE1-CZ 3.58Å; E160-R164 IonicContact OE1-NE 3.62Å; E160-R164 IonicContact OE1-NH2 3.6Å; E160-R164 PolarHBondContact OE1-NH2 2.85Å
161	A	91	Very high	89.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-42.4	176.9	0	0	0	0	0	112	I120 M124 V157 A158 A159 R164 I166 I168	I120-A161 HydrophobicContact CG2-CB 3.96Å; M124-A161 HydrophobicContact CG-CB 3.69Å; M124-A161 WeakPolarHBondContact SD-CA 3.31Å; M124-A161 HydrophobicContact SD-CB 3.57Å; M124-A161 VanDerWaalsContact SD-CB 3.57Å; M124-A161 PolarHBondContact SD-N 3.48Å; V157-A161 PolarHBondContact O-N 3.21Å; A158-A161 PolarHBondContact O-N 3.13Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 3.08Å; A161-R164 PolarHBondContact O-N 3.35Å; A161-I166 HydrophobicContact CB-CD1 4.35Å; A161-I166 WeakPolarHBondContact O-CB 3.19Å; A161-I166 PolarHBondContact O-N 2.83Å; A161-I166 VanDerWaalsContact O-N 3.12Å; A161-I168 HydrophobicContact CB-CD1 3.8Å
162	R	91	Very high	89.5	Confident	73 Å²	73	49 Å²	49	28%	0.275	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-40.5	176.3	-67.4	-174.9	-56.8	-101.5	0.9	112.4	A158 A159 E160 R164 G165 I168 A183 M184 A185 S186	A158-R162 VanDerWaalsContact O-CG 3.32Å; A158-R162 WeakPolarHBondContact O-CG 3.04Å; A158-R162 PolarHBondContact O-N 2.9Å; A159-R162 VanDerWaalsContact CA-NH2 3.29Å; A159-R162 PolarHBondContact O-N 3Å; E160-R162 PolarHBondContact O-N 2.86Å; R162-R164 PolarHBondContact O-N 3.41Å; R162-G165 PolarHBondContact O-N 2.81Å; R162-I168 HydrophobicContact CG-CD1 4.43Å; R162-A183 PolarHBondContact NH1-O 2.99Å; R162-A183 VanDerWaalsContact NH1-O 3.1Å; R162-M184 PolarHBondContact NH1-O 2.96Å; R162-A185 PolarHBondContact NH1-O 2.96Å; R162-A185 VanDerWaalsContact NH1-O 3.16Å; R162-S186 WeakPolarHBondContact CG-OG 3.36Å
163	E	87.7	Confident	89.2	Confident	168 Å²	168	46.9 Å²	46.9	79%	0.785	23%	0.233	S	C	*	.	H	α-helix	trans	-62.5	-28.2	175.3	-75.8	179.5	-178.3	0	0	112.7	A159 E160 G165	A159-E163 WeakPolarHBondContact O-CG 3.46Å; A159-E163 PolarHBondContact O-N 3.48Å; E160-E163 PolarHBondContact O-N 2.65Å; E163-G165 PolarHBondContact O-N 2.97Å
164	R	86.6	Confident	88.6	Confident	132 Å²	132	40.2 Å²	40.2	50%	0.498	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.6	173	-67.1	-179.1	-174.1	-162	7	113.7	N125 E160 A161 R162	N125-R164 PolarHBondContact OD1-NH1 2.74Å; E160-R164 WeakPolarHBondContact O-CG 3.45Å; E160-R164 PolarHBondContact O-N 3.01Å; E160-R164 VanDerWaalsContact O-N 3.15Å; E160-R164 IonicContact OE1-CZ 3.58Å; E160-R164 IonicContact OE1-NE 3.62Å; E160-R164 IonicContact OE1-NH2 3.6Å; E160-R164 PolarHBondContact OE1-NH2 2.85Å; A161-R164 PolarHBondContact O-N 3.35Å; R162-R164 PolarHBondContact O-N 3.41Å
165	G	85.7	Confident	87.6	Confident	55 Å²	55	49.6 Å²	49.6	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	21.4	179.2	0	0	0	0	0	114.2	R162 E163	R162-G165 PolarHBondContact O-N 2.81Å; E163-G165 PolarHBondContact O-N 2.97Å
166	I	91.2	Very high	86.9	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.3	172.3	-57.4	165	0	0	0	108.6	L123 M124 F128 N140 A142 A161 I168	L123-I166 HydrophobicContact CD2-CG2 4.18Å; M124-I166 HydrophobicContact CB-CD1 4.47Å; M124-I166 HydrophobicContact CG-CD1 3.83Å; F128-I166 HydrophobicContact CD2-CD1 3.84Å; F128-I166 HydrophobicContact CD2-CG1 4.11Å; F128-I166 HydrophobicContact CD2-CG2 4.23Å; F128-I166 HydrophobicContact CE2-CD1 4.43Å; F128-I166 HydrophobicContact CE2-CG1 4.41Å; F128-I166 HydrophobicContact CE2-CG2 3.73Å; N140-I166 HydrophobicContact CB-CG1 4.24Å; N140-I166 WeakPolarHBondContact O-CA 3.13Å; A142-I166 HydrophobicContact CB-CG2 4.04Å; A161-I166 HydrophobicContact CB-CD1 4.35Å; A161-I166 WeakPolarHBondContact O-CB 3.19Å; A161-I166 PolarHBondContact O-N 2.83Å; A161-I166 VanDerWaalsContact O-N 3.12Å; I166-I168 HydrophobicContact CG2-CG1 4.23Å
167	E	91	Very high	86.3	Confident	45 Å²	45	42.9 Å²	42.9	21%	0.21	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.4	176.8	-166.6	178.5	150.7	0	0	109.9	N140 V141 A142 Y169 H192	N140-E167 PolarHBondContact O-N 3.13Å; V141-E167 CarbonylContact C-O 3.48Å; V141-E167 WeakPolarHBondContact CA-O 2.87Å; V141-E167 HydrophobicContact CG2-CB 4.39Å; A142-E167 PolarHBondContact N-O 3.41Å; E167-Y169 HydrophobicContact CG-CE2 3.84Å; E167-Y169 WeakPolarHBondContact OE1-CE2 3.44Å; E167-Y169 VanDerWaalsContact OE1-CZ 3.29Å; E167-Y169 PolarHBondContact OE1-OH 2.96Å; E167-H192 IonicContact OE1-CD2 2.73Å; E167-H192 IonicContact OE1-NE2 3.26Å; E167-H192 PolarHBondContact OE1-NE2 3.41Å
168	I	93.2	Very high	85.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.1	-172.7	-57.1	177	0	0	0	110.3	A142 I144 A158 A161 R162 I166 A185 S186	A142-I168 HydrophobicContact CB-CG1 4.46Å; A142-I168 CarbonylContact O-C 3.43Å; A142-I168 WeakPolarHBondContact O-CA 3.32Å; I144-I168 HydrophobicContact CD1-CG2 3.48Å; I144-I168 VanDerWaalsContact CD1-CG2 3.48Å; I144-I168 HydrophobicContact CG1-CG2 3.99Å; A158-I168 HydrophobicContact CB-CD1 4.49Å; A161-I168 HydrophobicContact CB-CD1 3.8Å; R162-I168 HydrophobicContact CG-CD1 4.43Å; I166-I168 HydrophobicContact CG2-CG1 4.23Å; I168-A185 WeakPolarHBondContact O-CA 3.48Å; I168-S186 PolarHBondContact N-OG 2.98Å; I168-S186 PolarHBondContact O-N 2.6Å
169	Y	92.4	Very high	85	Confident	6 Å²	6	50.3 Å²	50.3	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.4	168	-70.3	-102.7	0	0	0	108.7	V141 A142 V143 I144 E167 H192 F194 F209	V141-Y169 HydrophobicContact CG1-CD2 3.74Å; V141-Y169 HydrophobicContact CG1-CE2 3.78Å; A142-Y169 PolarHBondContact O-N 3.35Å; V143-Y169 CarbonylContact C-O 3.56Å; V143-Y169 WeakPolarHBondContact CA-O 3.33Å; I144-Y169 PolarHBondContact N-O 3.5Å; E167-Y169 HydrophobicContact CG-CE2 3.84Å; E167-Y169 WeakPolarHBondContact OE1-CE2 3.44Å; E167-Y169 VanDerWaalsContact OE1-CZ 3.29Å; E167-Y169 PolarHBondContact OE1-OH 2.96Å; Y169-H192 CarbonylContact C-O 3.28Å; Y169-H192 WeakPolarHBondContact CA-O 3.4Å; Y169-H192 AromaticContact CD2-CD2 3.95Å; Y169-H192 AromaticContact CE1-CD2 3.69Å; Y169-H192 AromaticContact CE2-CD2 3.6Å; Y169-H192 AromaticContact CE2-NE2 3.92Å; Y169-H192 AromaticContact CZ-CD2 3.43Å; Y169-H192 VanDerWaalsContact CZ-CD2 3.43Å; Y169-H192 AromaticContact CZ-NE2 3.62Å; Y169-H192 PolarHBondContact OH-NE2 3.41Å; Y169-F194 AromaticContact CD1-CE2 3.94Å; Y169-F194 HydrophobicContact CD1-CE2 3.94Å; Y169-F209 AromaticContact CD1-CD2 3.82Å; Y169-F209 HydrophobicContact CD1-CD2 3.82Å; Y169-F209 AromaticContact CD1-CE2 3.82Å; Y169-F209 HydrophobicContact CD1-CE2 3.82Å; Y169-F209 AromaticContact CD2-CE2 3.98Å; Y169-F209 HydrophobicContact CD2-CE2 3.98Å; Y169-F209 AromaticContact CE1-CD2 3.99Å; Y169-F209 HydrophobicContact CE1-CD2 3.99Å; Y169-F209 HydrophobicContact CE1-CE2 4.03Å; Y169-F209 HydrophobicContact CE2-CE2 4.18Å; Y169-F209 HydrophobicContact CG-CD2 4.26Å; Y169-F209 AromaticContact CG-CE2 3.83Å; Y169-F209 HydrophobicContact CG-CE2 3.83Å
170	A	91.1	Very high	84.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.7	178.3	0	0	0	0	0	110.3	L181 M184 A185 H192 V193 F194	A170-L181 HydrophobicContact CB-CB 4.15Å; A170-L181 HydrophobicContact CB-CD2 4Å; A170-M184 HydrophobicContact CB-CB 4.47Å; A170-A185 HydrophobicContact CB-CB 3.89Å; A170-H192 PolarHBondContact N-O 2.69Å; A170-V193 WeakPolarHBondContact O-CA 3.46Å; A170-F194 PolarHBondContact O-N 3.17Å
171	V	90.6	Very high	84.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.5	177.3	-173.3	0	0	0	0	108.5	V143 I144 V145 T146 V173 F194 I202 F205	V143-V171 HydrophobicContact CG1-CG2 4.08Å; I144-V171 PolarHBondContact O-N 2.88Å; V145-V171 WeakPolarHBondContact CA-O 3.42Å; V145-V171 HydrophobicContact CG2-CB 4.26Å; T146-V171 PolarHBondContact N-O 2.78Å; V171-V173 HydrophobicContact CG1-CG2 4.49Å; V171-F194 CarbonylContact C-O 3.51Å; V171-F194 WeakPolarHBondContact CA-O 3.39Å; V171-F194 HydrophobicContact CG2-CB 4.49Å; V171-I202 HydrophobicContact CG1-CD1 4.38Å; V171-I202 HydrophobicContact CG1-CG1 4.27Å; V171-F205 HydrophobicContact CG1-CD1 4.49Å; V171-F205 HydrophobicContact CG1-CG 4.41Å; V171-F205 HydrophobicContact CG2-CD1 3.84Å; V171-F205 HydrophobicContact CG2-CD2 3.89Å; V171-F205 HydrophobicContact CG2-CE1 3.64Å; V171-F205 HydrophobicContact CG2-CE2 3.65Å; V171-F205 HydrophobicContact CG2-CG 3.96Å; V171-F205 HydrophobicContact CG2-CZ 3.51Å
172	G	87	Confident	84.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.3	171.9	0	0	0	0	0	111.4	T146 F194 L195 V196	T146-G172 CarbonylContact O-C 3.58Å; T146-G172 WeakPolarHBondContact O-CA 3.44Å; G172-F194 PolarHBondContact N-O 2.85Å; G172-L195 WeakPolarHBondContact O-CA 3.44Å; G172-V196 PolarHBondContact O-N 2.88Å
173	V	81.8	Confident	83.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.8	175.7	-168.6	0	0	0	0	110.5	V145 T146 D147 V171 R175 A176 V196 F199 I202	V145-V173 HydrophobicContact CG1-CG2 4.34Å; T146-V173 PolarHBondContact O-N 2.8Å; D147-V173 VanDerWaalsContact CA-O 3.3Å; D147-V173 WeakPolarHBondContact CA-O 3.48Å; V171-V173 HydrophobicContact CG1-CG2 4.49Å; V173-R175 PolarHBondContact O-N 2.75Å; V173-A176 PolarHBondContact O-N 3.43Å; V173-V196 CarbonylContact C-O 3.54Å; V173-V196 WeakPolarHBondContact CA-O 3.47Å; V173-F199 HydrophobicContact CB-CD1 4.32Å; V173-F199 HydrophobicContact CB-CD2 4.35Å; V173-F199 HydrophobicContact CB-CE1 3.99Å; V173-F199 HydrophobicContact CB-CE2 4.07Å; V173-F199 HydrophobicContact CB-CG 4.5Å; V173-F199 HydrophobicContact CB-CZ 3.91Å; V173-F199 HydrophobicContact CG1-CB 4.2Å; V173-F199 HydrophobicContact CG1-CD1 3.76Å; V173-F199 HydrophobicContact CG1-CD2 3.47Å; V173-F199 VanDerWaalsContact CG1-CD2 3.47Å; V173-F199 HydrophobicContact CG1-CE1 3.92Å; V173-F199 HydrophobicContact CG1-CE2 3.69Å; V173-F199 HydrophobicContact CG1-CG 3.55Å; V173-F199 HydrophobicContact CG1-CZ 3.92Å; V173-F199 HydrophobicContact CG2-CD1 4.31Å; V173-F199 HydrophobicContact CG2-CE1 4.03Å; V173-F199 HydrophobicContact CG2-CZ 4.4Å; V173-I202 HydrophobicContact CG2-CD1 3.78Å; V173-I202 HydrophobicContact CG2-CG1 4.33Å
174	A	74.1	Confident	83.8	Confident	48 Å²	48	41.3 Å²	41.3	40%	0.397	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-89.2	177.4	0	0	0	0	0	114.9	V196 E197	A174-V196 PolarHBondContact N-O 2.91Å; A174-E197 VanDerWaalsContact CA-O 3.26Å; A174-E197 WeakPolarHBondContact CA-O 2.92Å
175	R	67.4	Low	84	Confident	208 Å²	208	35 Å²	35	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	8.8	-171.5	-60.5	177.9	-178.1	175.8	-0.8	113.2	D147 V173	D147-R175 CarbonylContact O-C 3.53Å; V173-R175 PolarHBondContact O-N 2.75Å
176	A	72.9	Confident	84.1	Confident	10 Å²	10	33 Å²	33	8%	0.083	17%	0.168	C	C	.	.			trans	-62.3	140.9	176.5	0	0	0	0	0	110.9	D147 V173 L181 L195	D147-A176 PolarHBondContact O-N 2.79Å; V173-A176 PolarHBondContact O-N 3.43Å; A176-L181 HydrophobicContact CB-CD1 4.08Å; A176-L195 HydrophobicContact CB-CD1 4.04Å
177	D	74.7	Confident	83.5	Confident	29 Å²	29	36.7 Å²	36.7	16%	0.155	19%	0.193	C	C	.	.			trans	-98.4	123.9	-175.2	175.9	89.9	0	0	0	110.7	R149 T179 S180 L181	R149-D177 HydrophobicContact CG-CB 3.67Å; R149-D177 IonicContact CZ-OD1 3.18Å; R149-D177 VanDerWaalsContact CZ-OD1 3.29Å; R149-D177 IonicContact NE-OD1 3.72Å; R149-D177 PolarHBondContact NE-OD1 3.07Å; R149-D177 IonicContact NH2-OD1 2.69Å; R149-D177 PolarHBondContact NH2-OD1 3Å; D177-T179 PolarHBondContact O-N 3.07Å; D177-T179 WeakPolarHBondContact OD2-CA 3.14Å; D177-T179 WeakPolarHBondContact OD2-CB 3Å; D177-T179 PolarHBondContact OD2-N 3.11Å; D177-T179 VanDerWaalsContact OD2-N 3.17Å; D177-T179 PolarHBondContact OD2-OG1 3.24Å; D177-S180 WeakPolarHBondContact O-CB 3.48Å; D177-S180 PolarHBondContact O-N 3.21Å; D177-S180 PolarHBondContact OD2-N 2.81Å; D177-S180 PolarHBondContact OD2-OG 3.02Å; D177-S180 VanDerWaalsContact OD2-OG 3.09Å; D177-L181 WeakPolarHBondContact O-CG 3.32Å; D177-L181 PolarHBondContact O-N 2.92Å
178	M	76.4	Confident	82.9	Confident	60 Å²	60	37.4 Å²	37.4	30%	0.296	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-33	-177.7	-76	-61.8	-73.6	0	0	113.8	S180 L181 R182 V193 L195	M178-S180 VanDerWaalsContact C-N 3.29Å; M178-S180 PolarHBondContact O-N 3.34Å; M178-L181 PolarHBondContact O-N 2.98Å; M178-L181 HydrophobicContact SD-CD1 3.93Å; M178-R182 WeakPolarHBondContact O-CB 3.29Å; M178-R182 WeakPolarHBondContact O-CG 3.19Å; M178-R182 PolarHBondContact O-N 2.83Å; M178-V193 HydrophobicContact CE-CG1 3.54Å; M178-V193 HydrophobicContact SD-CG1 3.81Å; M178-L195 HydrophobicContact CG-CD2 3.89Å; M178-L195 HydrophobicContact SD-CB 3.67Å; M178-L195 HydrophobicContact SD-CD1 4.33Å; M178-L195 HydrophobicContact SD-CD2 3.98Å; M178-L195 HydrophobicContact SD-CG 4.21Å
179	T	79.1	Confident	82.1	Confident	107 Å²	107	41.3 Å²	41.3	66%	0.656	22%	0.219	S	C	*	.	H	α-helix	trans	-62.8	-41.9	176	-36.2	0	0	0	0	110.6	D177 A183	D177-T179 PolarHBondContact O-N 3.07Å; D177-T179 WeakPolarHBondContact OD2-CA 3.14Å; D177-T179 WeakPolarHBondContact OD2-CB 3Å; D177-T179 PolarHBondContact OD2-N 3.11Å; D177-T179 VanDerWaalsContact OD2-N 3.17Å; D177-T179 PolarHBondContact OD2-OG1 3.24Å; T179-A183 WeakPolarHBondContact O-CB 3.43Å; T179-A183 PolarHBondContact O-N 3.36Å; T179-A183 VanDerWaalsContact O-N 3.07Å
180	S	81.5	Confident	81.2	Confident	24 Å²	24	48.1 Å²	48.1	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-71.1	-40.5	179.3	-53.7	0	0	0	0	111.5	D177 M178 A183 M184	D177-S180 WeakPolarHBondContact O-CB 3.48Å; D177-S180 PolarHBondContact O-N 3.21Å; D177-S180 PolarHBondContact OD2-N 2.81Å; D177-S180 PolarHBondContact OD2-OG 3.02Å; D177-S180 VanDerWaalsContact OD2-OG 3.09Å; M178-S180 VanDerWaalsContact C-N 3.29Å; M178-S180 PolarHBondContact O-N 3.34Å; S180-A183 PolarHBondContact O-N 2.91Å; S180-M184 WeakPolarHBondContact O-CG 3.35Å; S180-M184 PolarHBondContact O-N 3.23Å
181	L	86.1	Confident	80.3	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-45.4	177.1	-62.7	168.1	0	0	0	112	T146 A170 A176 D177 M178 A183 M184 A185 V193 L195	T146-L181 HydrophobicContact CG2-CD2 3.83Å; A170-L181 HydrophobicContact CB-CB 4.15Å; A170-L181 HydrophobicContact CB-CD2 4Å; A176-L181 HydrophobicContact CB-CD1 4.08Å; D177-L181 WeakPolarHBondContact O-CG 3.32Å; D177-L181 PolarHBondContact O-N 2.92Å; M178-L181 PolarHBondContact O-N 2.98Å; M178-L181 HydrophobicContact SD-CD1 3.93Å; L181-A183 VanDerWaalsContact C-N 3.29Å; L181-A183 PolarHBondContact O-N 3.12Å; L181-M184 HydrophobicContact CD2-CE 3.92Å; L181-M184 PolarHBondContact O-N 2.93Å; L181-M184 VanDerWaalsContact O-N 3.08Å; L181-A185 WeakPolarHBondContact O-CB 3.28Å; L181-A185 PolarHBondContact O-N 2.85Å; L181-V193 HydrophobicContact CB-CG1 3.73Å; L181-V193 HydrophobicContact CD1-CG1 4.32Å; L181-L195 HydrophobicContact CD1-CD1 3.93Å
182	R	85.9	Confident	79.9	Confident	105 Å²	105	51.1 Å²	51.1	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-34.2	175.2	-75.1	177.2	174	171.9	-2.2	112.6	M178 M184 F189 V193	M178-R182 WeakPolarHBondContact O-CB 3.29Å; M178-R182 WeakPolarHBondContact O-CG 3.19Å; M178-R182 PolarHBondContact O-N 2.83Å; R182-M184 PolarHBondContact O-N 3.12Å; R182-F189 HydrophobicContact CB-CD1 4.44Å; R182-F189 HydrophobicContact CG-CB 4.37Å; R182-F189 HydrophobicContact CG-CD1 4.45Å; R182-F189 HydrophobicContact CG-CG 4.22Å; R182-F189 VanDerWaalsContact O-CE1 3.27Å; R182-F189 WeakPolarHBondContact O-CE1 3.47Å; R182-V193 HydrophobicContact CG-CG1 4.48Å; R182-V193 HydrophobicContact CG-CG2 3.96Å
183	A	83.7	Confident	79.8	Confident	29 Å²	29	51.8 Å²	51.8	24%	0.24	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-28.4	175	0	0	0	0	0	112.6	V154 A155 A158 R162 T179 S180 L181	V154-A183 HydrophobicContact CG2-CB 4.34Å; A155-A183 HydrophobicContact CB-CB 4.12Å; A158-A183 WeakPolarHBondContact CB-O 3.39Å; R162-A183 PolarHBondContact NH1-O 2.99Å; R162-A183 VanDerWaalsContact NH1-O 3.1Å; T179-A183 WeakPolarHBondContact O-CB 3.43Å; T179-A183 PolarHBondContact O-N 3.36Å; T179-A183 VanDerWaalsContact O-N 3.07Å; S180-A183 PolarHBondContact O-N 2.91Å; L181-A183 VanDerWaalsContact C-N 3.29Å; L181-A183 PolarHBondContact O-N 3.12Å
184	M	88.1	Confident	79.9	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-88.4	-45.3	-179.6	-67.3	-175.4	-59.4	0	0	113.3	T116 I120 T146 V154 R162 A170 S180 L181 R182	T116-M184 HydrophobicContact CG2-CE 4.39Å; T116-M184 HydrophobicContact CG2-SD 3.4Å; T116-M184 WeakPolarHBondContact CG2-SD 3.48Å; I120-M184 HydrophobicContact CD1-CB 4.48Å; I120-M184 HydrophobicContact CD1-CG 4Å; I120-M184 HydrophobicContact CD1-SD 4.05Å; T146-M184 HydrophobicContact CG2-CE 4.38Å; V154-M184 HydrophobicContact CB-CG 3.72Å; V154-M184 HydrophobicContact CB-SD 4.05Å; V154-M184 HydrophobicContact CG1-CG 4.31Å; V154-M184 HydrophobicContact CG1-SD 3.96Å; V154-M184 HydrophobicContact CG2-CG 3.78Å; V154-M184 HydrophobicContact CG2-SD 4.27Å; R162-M184 PolarHBondContact NH1-O 2.96Å; A170-M184 HydrophobicContact CB-CB 4.47Å; S180-M184 WeakPolarHBondContact O-CG 3.35Å; S180-M184 PolarHBondContact O-N 3.23Å; L181-M184 HydrophobicContact CD2-CE 3.92Å; L181-M184 PolarHBondContact O-N 2.93Å; L181-M184 VanDerWaalsContact O-N 3.08Å; R182-M184 PolarHBondContact O-N 3.12Å
185	A	90.2	Very high	80.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-64.7	159.9	-173.9	0	0	0	0	0	114	R162 I168 A170 L181 H192 V193	R162-A185 PolarHBondContact NH1-O 2.96Å; R162-A185 VanDerWaalsContact NH1-O 3.16Å; I168-A185 WeakPolarHBondContact O-CA 3.48Å; A170-A185 HydrophobicContact CB-CB 3.89Å; L181-A185 WeakPolarHBondContact O-CB 3.28Å; L181-A185 PolarHBondContact O-N 2.85Å; A185-H192 HydrophobicContact CB-CB 3.98Å; A185-V193 HydrophobicContact CB-CG2 3.39Å
186	S	88.1	Confident	80.8	Confident	11 Å²	11	45 Å²	45	8%	0.077	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-79.8	147.2	169.6	-69.6	0	0	0	0	112	R162 I168 H192	R162-S186 WeakPolarHBondContact CG-OG 3.36Å; I168-S186 PolarHBondContact N-OG 2.98Å; I168-S186 PolarHBondContact O-N 2.6Å; S186-H192 WeakPolarHBondContact O-CB 3.01Å; S186-H192 VanDerWaalsContact O-CG 3.25Å; S186-H192 PolarHBondContact O-ND1 2.98Å
187	P	77.6	Confident	80.7	Confident	86 Å²	86	49.8 Å²	49.8	56%	0.558	26%	0.263	S	S	*	.	S	Bend	trans	-69.2	148.7	167.4	-18.9	32.5	0	0	0	111.8	F189	P187-F189 HydrophobicContact CG-CE1 4.35Å
188	P	78.8	Confident	80.6	Confident	60 Å²	60	55 Å²	55	39%	0.39	28%	0.281	S	S	.	.	S	Bend	cis	-74.6	140.4	-4	29.1	-34.1	0	0	0	113	E190 D191 H192	P188-E190 VanDerWaalsContact C-N 3.35Å; P188-E190 PolarHBondContact O-N 3.03Å; P188-D191 HydrophobicContact CG-CB 4.12Å; P188-D191 VanDerWaalsContact CG-OD2 3.3Å; P188-D191 WeakPolarHBondContact CG-OD2 3.23Å; P188-D191 PolarHBondContact O-N 2.86Å; P188-D191 VanDerWaalsContact O-N 3.11Å; P188-H192 PolarHBondContact O-N 3.14Å; P188-H192 PolarHBondContact O-ND1 3.09Å
189	F	76.1	Confident	80.3	Confident	82 Å²	82	52.7 Å²	52.7	36%	0.36	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-30.7	-173.5	-60.3	-48.4	0	0	0	114.1	R182 P187 D191 H192 V193	R182-F189 HydrophobicContact CB-CD1 4.44Å; R182-F189 HydrophobicContact CG-CB 4.37Å; R182-F189 HydrophobicContact CG-CD1 4.45Å; R182-F189 HydrophobicContact CG-CG 4.22Å; R182-F189 VanDerWaalsContact O-CE1 3.27Å; R182-F189 WeakPolarHBondContact O-CE1 3.47Å; P187-F189 HydrophobicContact CG-CE1 4.35Å; F189-D191 PolarHBondContact O-N 2.89Å; F189-D191 VanDerWaalsContact O-N 3.12Å; F189-H192 PolarHBondContact O-N 3.05Å; F189-V193 HydrophobicContact CB-CG2 4.23Å; F189-V193 HydrophobicContact CD1-CG2 4.36Å; F189-V193 WeakPolarHBondContact O-CB 3.29Å; F189-V193 PolarHBondContact O-N 3.23Å
190	E	73.2	Confident	79.9	Confident	149 Å²	149	51.3 Å²	51.3	70%	0.696	26%	0.258	S	S	*	.	H	α-helix	trans	-60	-21.8	175.1	-54.2	-52.5	151.7	0	0	111.7	P188	P188-E190 VanDerWaalsContact C-N 3.35Å; P188-E190 PolarHBondContact O-N 3.03Å
191	D	73.4	Confident	79.4	Confident	59 Å²	59	51.9 Å²	51.9	32%	0.316	26%	0.259	S	S	.	.	H	α-helix	trans	-101.8	-21.1	-177.4	-67.7	-45.1	0	0	0	116.1	P188 F189 F194 K212	P188-D191 HydrophobicContact CG-CB 4.12Å; P188-D191 VanDerWaalsContact CG-OD2 3.3Å; P188-D191 WeakPolarHBondContact CG-OD2 3.23Å; P188-D191 PolarHBondContact O-N 2.86Å; P188-D191 VanDerWaalsContact O-N 3.11Å; F189-D191 PolarHBondContact O-N 2.89Å; F189-D191 VanDerWaalsContact O-N 3.12Å; D191-F194 WeakPolarHBondContact O-CE2 3.44Å; D191-F194 WeakPolarHBondContact O-CZ 3.46Å; D191-K212 VanDerWaalsContact CB-NZ 3.3Å; D191-K212 PolarHBondContact O-NZ 3.1Å; D191-K212 WeakPolarHBondContact OD1-CE 3.26Å; D191-K212 IonicContact OD1-NZ 2.99Å; D191-K212 PolarHBondContact OD1-NZ 3.39Å
192	H	82.5	Confident	78.8	Confident	4 Å²	4	52 Å²	52	2%	0.019	26%	0.259	C	S	.	.	H	α-helix	trans	-118.1	-6	-170.6	-65.3	86.4	0	0	0	113.4	E167 Y169 A170 A185 S186 P188 F189	E167-H192 IonicContact OE1-CD2 2.73Å; E167-H192 IonicContact OE1-NE2 3.26Å; E167-H192 PolarHBondContact OE1-NE2 3.41Å; Y169-H192 CarbonylContact C-O 3.28Å; Y169-H192 WeakPolarHBondContact CA-O 3.4Å; Y169-H192 AromaticContact CD2-CD2 3.95Å; Y169-H192 AromaticContact CE1-CD2 3.69Å; Y169-H192 AromaticContact CE2-CD2 3.6Å; Y169-H192 AromaticContact CE2-NE2 3.92Å; Y169-H192 AromaticContact CZ-CD2 3.43Å; Y169-H192 VanDerWaalsContact CZ-CD2 3.43Å; Y169-H192 AromaticContact CZ-NE2 3.62Å; Y169-H192 PolarHBondContact OH-NE2 3.41Å; A170-H192 PolarHBondContact N-O 2.69Å; A185-H192 HydrophobicContact CB-CB 3.98Å; S186-H192 WeakPolarHBondContact O-CB 3.01Å; S186-H192 VanDerWaalsContact O-CG 3.25Å; S186-H192 PolarHBondContact O-ND1 2.98Å; P188-H192 PolarHBondContact O-N 3.14Å; P188-H192 PolarHBondContact O-ND1 3.09Å; F189-H192 PolarHBondContact O-N 3.05Å
193	V	85.3	Confident	78	Confident	14 Å²	14	52.8 Å²	52.8	9%	0.085	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.6	177.4	-178.1	0	0	0	0	109.6	A170 M178 L181 R182 A185 F189	A170-V193 WeakPolarHBondContact O-CA 3.46Å; M178-V193 HydrophobicContact CE-CG1 3.54Å; M178-V193 HydrophobicContact SD-CG1 3.81Å; L181-V193 HydrophobicContact CB-CG1 3.73Å; L181-V193 HydrophobicContact CD1-CG1 4.32Å; R182-V193 HydrophobicContact CG-CG1 4.48Å; R182-V193 HydrophobicContact CG-CG2 3.96Å; A185-V193 HydrophobicContact CB-CG2 3.39Å; F189-V193 HydrophobicContact CB-CG2 4.23Å; F189-V193 HydrophobicContact CD1-CG2 4.36Å; F189-V193 WeakPolarHBondContact O-CB 3.29Å; F189-V193 PolarHBondContact O-N 3.23Å
194	F	83.6	Confident	77.3	Confident	16 Å²	16	55.8 Å²	55.8	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.8	179.5	-60.5	-92.4	0	0	0	108.9	Y169 A170 V171 G172 D191 F205 Q208	Y169-F194 AromaticContact CD1-CE2 3.94Å; Y169-F194 HydrophobicContact CD1-CE2 3.94Å; A170-F194 PolarHBondContact O-N 3.17Å; V171-F194 CarbonylContact C-O 3.51Å; V171-F194 WeakPolarHBondContact CA-O 3.39Å; V171-F194 HydrophobicContact CG2-CB 4.49Å; G172-F194 PolarHBondContact N-O 2.85Å; D191-F194 WeakPolarHBondContact O-CE2 3.44Å; D191-F194 WeakPolarHBondContact O-CZ 3.46Å; F194-F205 HydrophobicContact CB-CD2 3.85Å; F194-F205 HydrophobicContact CB-CG 4.49Å; F194-F205 AromaticContact CD1-CD2 3.61Å; F194-F205 HydrophobicContact CD1-CD2 3.61Å; F194-F205 HydrophobicContact CD1-CE2 4.34Å; F194-F205 AromaticContact CD2-CD2 3.39Å; F194-F205 HydrophobicContact CD2-CD2 3.39Å; F194-F205 AromaticContact CD2-CE2 3.35Å; F194-F205 HydrophobicContact CD2-CE2 3.35Å; F194-F205 AromaticContact CE1-CD2 3.92Å; F194-F205 HydrophobicContact CE1-CD2 3.92Å; F194-F205 HydrophobicContact CE1-CE2 4.4Å; F194-F205 AromaticContact CE2-CD2 3.76Å; F194-F205 HydrophobicContact CE2-CD2 3.76Å; F194-F205 AromaticContact CE2-CE2 3.47Å; F194-F205 HydrophobicContact CE2-CE2 3.47Å; F194-F205 VanDerWaalsContact CE2-CE2 3.47Å; F194-F205 AromaticContact CG-CD2 3.3Å; F194-F205 HydrophobicContact CG-CD2 3.3Å; F194-F205 AromaticContact CG-CE2 3.82Å; F194-F205 HydrophobicContact CG-CE2 3.82Å; F194-F205 HydrophobicContact CG-CG 4.32Å; F194-F205 AromaticContact CZ-CD2 3.98Å; F194-F205 HydrophobicContact CZ-CD2 3.98Å; F194-F205 AromaticContact CZ-CE2 3.98Å; F194-F205 HydrophobicContact CZ-CE2 3.98Å; F194-Q208 VanDerWaalsContact CD1-OE1 3.32Å; F194-Q208 HydrophobicContact CE1-CB 4.08Å
195	L	81.4	Confident	76.6	Confident	86 Å²	86	55.8 Å²	55.8	45%	0.45	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121	173.4	-172	71.2	0	0	0	108.8	G172 A176 M178 L181	G172-L195 WeakPolarHBondContact O-CA 3.44Å; A176-L195 HydrophobicContact CB-CD1 4.04Å; M178-L195 HydrophobicContact CG-CD2 3.89Å; M178-L195 HydrophobicContact SD-CB 3.67Å; M178-L195 HydrophobicContact SD-CD1 4.33Å; M178-L195 HydrophobicContact SD-CD2 3.98Å; M178-L195 HydrophobicContact SD-CG 4.21Å; L181-L195 HydrophobicContact CD1-CD1 3.93Å
196	V	78.8	Confident	75.6	Confident	11 Å²	11	56.3 Å²	56.3	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.4	-179.3	-173.5	0	0	0	0	108.2	G172 V173 A174 R198 L201	G172-V196 PolarHBondContact O-N 2.88Å; V173-V196 CarbonylContact C-O 3.54Å; V173-V196 WeakPolarHBondContact CA-O 3.47Å; A174-V196 PolarHBondContact N-O 2.91Å; V196-R198 WeakPolarHBondContact CG1-O 3.28Å; V196-R198 PolarHBondContact O-N 3.33Å; V196-L201 VanDerWaalsContact CG1-C 3.42Å; V196-L201 HydrophobicContact CG1-CB 3.43Å; V196-L201 VanDerWaalsContact CG1-CB 3.43Å
197	E	69.6	Low	74.6	Confident	111 Å²	111	60.7 Å²	60.7	52%	0.519	30%	0.299	S	S	.	.	S	Bend	trans	-61.2	-30.1	-174.6	-64.6	-178.4	178.8	0	0	113.5	A174 R828	A174-E197 VanDerWaalsContact CA-O 3.26Å; A174-E197 WeakPolarHBondContact CA-O 2.92Å; E197-R828 IonicContact OE1-CZ 2.65Å; E197-R828 IonicContact OE1-NH1 3.65Å; E197-R828 PolarHBondContact OE1-NH1 3.48Å; E197-R828 IonicContact OE1-NH2 2.74Å
198	R	73.1	Confident	74.1	Confident	138 Å²	138	61.4 Å²	61.4	52%	0.521	30%	0.295	S	S	.	.	S	Bend	trans	-151	152.5	-175.9	-62.2	-174.7	-59.6	154.2	15.4	111.1	V196 D200 L201	V196-R198 WeakPolarHBondContact CG1-O 3.28Å; V196-R198 PolarHBondContact O-N 3.33Å; R198-D200 WeakPolarHBondContact CB-OD1 3.46Å; R198-D200 IonicContact CZ-OD1 3.74Å; R198-D200 IonicContact CZ-OD2 2.78Å; R198-D200 VanDerWaalsContact CZ-OD2 3.26Å; R198-D200 IonicContact NE-OD1 2.89Å; R198-D200 PolarHBondContact NE-OD1 3.14Å; R198-D200 IonicContact NE-OD2 2.66Å; R198-D200 IonicContact NH1-OD2 3.82Å; R198-D200 IonicContact NH2-OD1 3.48Å; R198-D200 IonicContact NH2-OD2 2.64Å; R198-D200 PolarHBondContact NH2-OD2 2.94Å; R198-D200 PolarHBondContact O-N 2.87Å; R198-L201 PolarHBondContact O-N 2.89Å
199	F	69.8	Low	73.9	Confident	12 Å²	12	58.6 Å²	58.6	5%	0.053	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59.9	-27.8	-178.1	-83.9	-84.2	0	0	0	114	V48 E52 T55 M56 D147 V173 L201 I202	V48-F199 HydrophobicContact CG1-CZ 4.34Å; V48-F199 HydrophobicContact CG2-CZ 4.5Å; E52-F199 HydrophobicContact CB-CB 4.35Å; E52-F199 HydrophobicContact CB-CD1 4.07Å; E52-F199 HydrophobicContact CB-CD2 3.52Å; E52-F199 HydrophobicContact CB-CE1 4.24Å; E52-F199 HydrophobicContact CB-CE2 3.68Å; E52-F199 HydrophobicContact CB-CG 3.7Å; E52-F199 HydrophobicContact CB-CZ 4.02Å; E52-F199 HydrophobicContact CG-CB 4.23Å; E52-F199 HydrophobicContact CG-CD2 3.38Å; E52-F199 HydrophobicContact CG-CE2 3.83Å; E52-F199 HydrophobicContact CG-CG 3.86Å; T55-F199 HydrophobicContact CG2-CB 4.26Å; T55-F199 WeakPolarHBondContact CG2-O 3.46Å; M56-F199 HydrophobicContact CE-CE1 4.06Å; M56-F199 HydrophobicContact CG-CD1 3.75Å; M56-F199 HydrophobicContact CG-CE1 3.47Å; M56-F199 VanDerWaalsContact CG-CE1 3.47Å; M56-F199 HydrophobicContact SD-CD1 4.47Å; M56-F199 HydrophobicContact SD-CE1 3.6Å; M56-F199 HydrophobicContact SD-CZ 4.41Å; D147-F199 HydrophobicContact CB-CE2 3.95Å; D147-F199 HydrophobicContact CB-CZ 3.68Å; V173-F199 HydrophobicContact CB-CD1 4.32Å; V173-F199 HydrophobicContact CB-CD2 4.35Å; V173-F199 HydrophobicContact CB-CE1 3.99Å; V173-F199 HydrophobicContact CB-CE2 4.07Å; V173-F199 HydrophobicContact CB-CG 4.5Å; V173-F199 HydrophobicContact CB-CZ 3.91Å; V173-F199 HydrophobicContact CG1-CB 4.2Å; V173-F199 HydrophobicContact CG1-CD1 3.76Å; V173-F199 HydrophobicContact CG1-CD2 3.47Å; V173-F199 VanDerWaalsContact CG1-CD2 3.47Å; V173-F199 HydrophobicContact CG1-CE1 3.92Å; V173-F199 HydrophobicContact CG1-CE2 3.69Å; V173-F199 HydrophobicContact CG1-CG 3.55Å; V173-F199 HydrophobicContact CG1-CZ 3.92Å; V173-F199 HydrophobicContact CG2-CD1 4.31Å; V173-F199 HydrophobicContact CG2-CE1 4.03Å; V173-F199 HydrophobicContact CG2-CZ 4.4Å; F199-L201 PolarHBondContact O-N 2.8Å; F199-I202 WeakPolarHBondContact O-CB 3.27Å; F199-I202 WeakPolarHBondContact O-CG2 3.2Å; F199-I202 PolarHBondContact O-N 2.89Å
200	D	70.2	Confident	73.5	Confident	77 Å²	77	57.3 Å²	57.3	41%	0.412	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-69.4	-16.5	176.8	62.4	-37.2	0	0	0	113.5	R198 Y203	R198-D200 WeakPolarHBondContact CB-OD1 3.46Å; R198-D200 IonicContact CZ-OD1 3.74Å; R198-D200 IonicContact CZ-OD2 2.78Å; R198-D200 VanDerWaalsContact CZ-OD2 3.26Å; R198-D200 IonicContact NE-OD1 2.89Å; R198-D200 PolarHBondContact NE-OD1 3.14Å; R198-D200 IonicContact NE-OD2 2.66Å; R198-D200 IonicContact NH1-OD2 3.82Å; R198-D200 IonicContact NH2-OD1 3.48Å; R198-D200 IonicContact NH2-OD2 2.64Å; R198-D200 PolarHBondContact NH2-OD2 2.94Å; R198-D200 PolarHBondContact O-N 2.87Å; D200-Y203 WeakPolarHBondContact O-CD1 3.5Å; D200-Y203 WeakPolarHBondContact O-CE1 3.43Å
201	L	71.3	Confident	73	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.188	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-98.4	0.1	178.3	-63.1	176.9	0	0	0	113.1	V196 R198 F199 Y203 Q204	V196-L201 VanDerWaalsContact CG1-C 3.42Å; V196-L201 HydrophobicContact CG1-CB 3.43Å; V196-L201 VanDerWaalsContact CG1-CB 3.43Å; R198-L201 PolarHBondContact O-N 2.89Å; F199-L201 PolarHBondContact O-N 2.8Å; L201-Y203 HydrophobicContact CD2-CE1 4.14Å; L201-Y203 PolarHBondContact O-N 2.93Å; L201-Y203 VanDerWaalsContact O-N 3.08Å; L201-Q204 WeakPolarHBondContact O-CB 3Å; L201-Q204 WeakPolarHBondContact O-CG 3.03Å; L201-Q204 PolarHBondContact O-N 2.76Å
202	I	73.4	Confident	72.6	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.5	-176.7	-157.6	176.1	0	0	0	112.8	T55 M56 F59 V145 V171 V173 F199 Q204 F205 G206	T55-I202 HydrophobicContact CG2-CG2 4.47Å; M56-I202 HydrophobicContact CG-CD1 4.49Å; F59-I202 HydrophobicContact CB-CG2 3.67Å; F59-I202 HydrophobicContact CD1-CD1 3.95Å; F59-I202 HydrophobicContact CD1-CG1 4.39Å; F59-I202 HydrophobicContact CD2-CB 4.43Å; F59-I202 HydrophobicContact CD2-CG1 4.12Å; F59-I202 HydrophobicContact CD2-CG2 3.83Å; F59-I202 WeakPolarHBondContact CD2-O 3.4Å; F59-I202 HydrophobicContact CE1-CD1 4.14Å; F59-I202 HydrophobicContact CE1-CG1 4.46Å; F59-I202 HydrophobicContact CE2-CG1 4.18Å; F59-I202 WeakPolarHBondContact CE2-O 3.48Å; F59-I202 HydrophobicContact CG-CD1 4.16Å; F59-I202 HydrophobicContact CG-CG1 4.21Å; F59-I202 HydrophobicContact CG-CG2 3.74Å; F59-I202 HydrophobicContact CZ-CG1 4.35Å; V145-I202 HydrophobicContact CG1-CD1 3.9Å; V171-I202 HydrophobicContact CG1-CD1 4.38Å; V171-I202 HydrophobicContact CG1-CG1 4.27Å; V173-I202 HydrophobicContact CG2-CD1 3.78Å; V173-I202 HydrophobicContact CG2-CG1 4.33Å; F199-I202 WeakPolarHBondContact O-CB 3.27Å; F199-I202 WeakPolarHBondContact O-CG2 3.2Å; F199-I202 PolarHBondContact O-N 2.89Å; I202-Q204 PolarHBondContact O-N 2.85Å; I202-F205 PolarHBondContact O-N 2.84Å; I202-G206 PolarHBondContact O-N 3.42Å
203	Y	69.8	Low	71.8	Confident	122 Å²	122	56 Å²	56	48%	0.478	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-25.1	173.4	73.7	-91	0	0	0	113	D200 L201 F205 G206 L207	D200-Y203 WeakPolarHBondContact O-CD1 3.5Å; D200-Y203 WeakPolarHBondContact O-CE1 3.43Å; L201-Y203 HydrophobicContact CD2-CE1 4.14Å; L201-Y203 PolarHBondContact O-N 2.93Å; L201-Y203 VanDerWaalsContact O-N 3.08Å; Y203-F205 VanDerWaalsContact C-N 3.35Å; Y203-G206 WeakPolarHBondContact O-CA 3.34Å; Y203-G206 PolarHBondContact O-N 2.97Å; Y203-L207 PolarHBondContact O-N 3.03Å
204	Q	68.1	Low	70.7	Confident	92 Å²	92	57.2 Å²	57.2	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-39.6	177.4	-66.4	-178.8	-20.9	0	0	111.6	L201 I202 G206 L207 Q208	L201-Q204 WeakPolarHBondContact O-CB 3Å; L201-Q204 WeakPolarHBondContact O-CG 3.03Å; L201-Q204 PolarHBondContact O-N 2.76Å; I202-Q204 PolarHBondContact O-N 2.85Å; Q204-G206 VanDerWaalsContact C-N 3.27Å; Q204-G206 PolarHBondContact O-N 2.81Å; Q204-L207 PolarHBondContact O-N 3.22Å; Q204-Q208 PolarHBondContact O-N 3.42Å
205	F	74.9	Confident	69.3	Low	2 Å²	2	59.5 Å²	59.5	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-38.9	170.2	164.3	-99	0	0	0	110.9	F59 I63 V143 V171 F194 I202 Y203 L207 Q208 F209	F59-F205 AromaticContact CE2-CD1 3.64Å; F59-F205 HydrophobicContact CE2-CD1 3.64Å; F59-F205 HydrophobicContact CE2-CE1 4.28Å; F59-F205 AromaticContact CZ-CD1 3.37Å; F59-F205 HydrophobicContact CZ-CD1 3.37Å; F59-F205 AromaticContact CZ-CE1 3.64Å; F59-F205 HydrophobicContact CZ-CE1 3.64Å; I63-F205 HydrophobicContact CD1-CD1 4.45Å; I63-F205 HydrophobicContact CD1-CE1 4.11Å; V143-F205 HydrophobicContact CG1-CE1 4.06Å; V143-F205 HydrophobicContact CG1-CZ 4Å; V171-F205 HydrophobicContact CG1-CD1 4.49Å; V171-F205 HydrophobicContact CG1-CG 4.41Å; V171-F205 HydrophobicContact CG2-CD1 3.84Å; V171-F205 HydrophobicContact CG2-CD2 3.89Å; V171-F205 HydrophobicContact CG2-CE1 3.64Å; V171-F205 HydrophobicContact CG2-CE2 3.65Å; V171-F205 HydrophobicContact CG2-CG 3.96Å; V171-F205 HydrophobicContact CG2-CZ 3.51Å; F194-F205 HydrophobicContact CB-CD2 3.85Å; F194-F205 HydrophobicContact CB-CG 4.49Å; F194-F205 AromaticContact CD1-CD2 3.61Å; F194-F205 HydrophobicContact CD1-CD2 3.61Å; F194-F205 HydrophobicContact CD1-CE2 4.34Å; F194-F205 AromaticContact CD2-CD2 3.39Å; F194-F205 HydrophobicContact CD2-CD2 3.39Å; F194-F205 AromaticContact CD2-CE2 3.35Å; F194-F205 HydrophobicContact CD2-CE2 3.35Å; F194-F205 AromaticContact CE1-CD2 3.92Å; F194-F205 HydrophobicContact CE1-CD2 3.92Å; F194-F205 HydrophobicContact CE1-CE2 4.4Å; F194-F205 AromaticContact CE2-CD2 3.76Å; F194-F205 HydrophobicContact CE2-CD2 3.76Å; F194-F205 AromaticContact CE2-CE2 3.47Å; F194-F205 HydrophobicContact CE2-CE2 3.47Å; F194-F205 VanDerWaalsContact CE2-CE2 3.47Å; F194-F205 AromaticContact CG-CD2 3.3Å; F194-F205 HydrophobicContact CG-CD2 3.3Å; F194-F205 AromaticContact CG-CE2 3.82Å; F194-F205 HydrophobicContact CG-CE2 3.82Å; F194-F205 HydrophobicContact CG-CG 4.32Å; F194-F205 AromaticContact CZ-CD2 3.98Å; F194-F205 HydrophobicContact CZ-CD2 3.98Å; F194-F205 AromaticContact CZ-CE2 3.98Å; F194-F205 HydrophobicContact CZ-CE2 3.98Å; I202-F205 PolarHBondContact O-N 2.84Å; Y203-F205 VanDerWaalsContact C-N 3.35Å; F205-L207 PolarHBondContact O-N 3.17Å; F205-Q208 PolarHBondContact O-N 3.49Å; F205-F209 HydrophobicContact CD1-CB 4.36Å; F205-F209 HydrophobicContact CD2-CB 4.18Å; F205-F209 HydrophobicContact CE1-CB 3.9Å; F205-F209 HydrophobicContact CE1-CD1 4.28Å; F205-F209 HydrophobicContact CE1-CD2 4.39Å; F205-F209 AromaticContact CE1-CG 3.95Å; F205-F209 HydrophobicContact CE1-CG 3.95Å; F205-F209 HydrophobicContact CE2-CB 3.74Å; F205-F209 AromaticContact CE2-CD2 3.92Å; F205-F209 HydrophobicContact CE2-CD2 3.92Å; F205-F209 HydrophobicContact CE2-CG 4.03Å; F205-F209 HydrophobicContact CZ-CB 3.6Å; F205-F209 HydrophobicContact CZ-CD1 4.18Å; F205-F209 AromaticContact CZ-CD2 3.52Å; F205-F209 HydrophobicContact CZ-CD2 3.52Å; F205-F209 HydrophobicContact CZ-CE2 4.2Å; F205-F209 AromaticContact CZ-CG 3.5Å; F205-F209 HydrophobicContact CZ-CG 3.5Å; F205-F209 WeakPolarHBondContact O-CB 3.49Å; F205-F209 PolarHBondContact O-N 3.08Å
206	G	69	Low	67.8	Low	11 Å²	11	59.7 Å²	59.7	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-53.9	-41.4	177.5	0	0	0	0	0	112.9	I202 Y203 Q204 Q210	I202-G206 PolarHBondContact O-N 3.42Å; Y203-G206 WeakPolarHBondContact O-CA 3.34Å; Y203-G206 PolarHBondContact O-N 2.97Å; Q204-G206 VanDerWaalsContact C-N 3.27Å; Q204-G206 PolarHBondContact O-N 2.81Å; G206-Q210 WeakPolarHBondContact O-CB 3.47Å; G206-Q210 PolarHBondContact O-N 2.95Å
207	L	65.6	Low	66.7	Low	102 Å²	102	62.6 Å²	62.6	53%	0.534	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-47.1	176.5	-65.4	171.5	0	0	0	112.3	Y203 Q204 F205 F209 Q210 D211	Y203-L207 PolarHBondContact O-N 3.03Å; Q204-L207 PolarHBondContact O-N 3.22Å; F205-L207 PolarHBondContact O-N 3.17Å; L207-F209 PolarHBondContact O-N 3.11Å; L207-Q210 WeakPolarHBondContact O-CB 2.99Å; L207-Q210 PolarHBondContact O-N 3.06Å; L207-D211 PolarHBondContact O-N 3.06Å
208	Q	68.7	Low	66.1	Low	101 Å²	101	59.4 Å²	59.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-38.3	179.8	-68.7	178.6	-27.6	0	0	112.8	F194 Q204 F205 Q210 K212	F194-Q208 VanDerWaalsContact CD1-OE1 3.32Å; F194-Q208 HydrophobicContact CE1-CB 4.08Å; Q204-Q208 PolarHBondContact O-N 3.42Å; F205-Q208 PolarHBondContact O-N 3.49Å; Q208-Q210 VanDerWaalsContact C-N 3.34Å; Q208-K212 WeakPolarHBondContact O-CG 3Å; Q208-K212 PolarHBondContact O-N 2.8Å
209	F	74.8	Confident	65.6	Low	1 Å²	1	54 Å²	54	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-38.3	175.7	-175.4	-115.4	0	0	0	111.2	L38 I63 V143 Y169 F205 L207 K212 L213	L38-F209 HydrophobicContact CD1-CZ 4.13Å; I63-F209 HydrophobicContact CD1-CD1 4.15Å; I63-F209 HydrophobicContact CG2-CD1 4.35Å; I63-F209 HydrophobicContact CG2-CE1 4.36Å; V143-F209 HydrophobicContact CG2-CE1 4.05Å; V143-F209 HydrophobicContact CG2-CE2 3.78Å; V143-F209 HydrophobicContact CG2-CZ 3.37Å; Y169-F209 AromaticContact CD1-CD2 3.82Å; Y169-F209 HydrophobicContact CD1-CD2 3.82Å; Y169-F209 AromaticContact CD1-CE2 3.82Å; Y169-F209 HydrophobicContact CD1-CE2 3.82Å; Y169-F209 AromaticContact CD2-CE2 3.98Å; Y169-F209 HydrophobicContact CD2-CE2 3.98Å; Y169-F209 AromaticContact CE1-CD2 3.99Å; Y169-F209 HydrophobicContact CE1-CD2 3.99Å; Y169-F209 HydrophobicContact CE1-CE2 4.03Å; Y169-F209 HydrophobicContact CE2-CE2 4.18Å; Y169-F209 HydrophobicContact CG-CD2 4.26Å; Y169-F209 AromaticContact CG-CE2 3.83Å; Y169-F209 HydrophobicContact CG-CE2 3.83Å; F205-F209 HydrophobicContact CD1-CB 4.36Å; F205-F209 HydrophobicContact CD2-CB 4.18Å; F205-F209 HydrophobicContact CE1-CB 3.9Å; F205-F209 HydrophobicContact CE1-CD1 4.28Å; F205-F209 HydrophobicContact CE1-CD2 4.39Å; F205-F209 AromaticContact CE1-CG 3.95Å; F205-F209 HydrophobicContact CE1-CG 3.95Å; F205-F209 HydrophobicContact CE2-CB 3.74Å; F205-F209 AromaticContact CE2-CD2 3.92Å; F205-F209 HydrophobicContact CE2-CD2 3.92Å; F205-F209 HydrophobicContact CE2-CG 4.03Å; F205-F209 HydrophobicContact CZ-CB 3.6Å; F205-F209 HydrophobicContact CZ-CD1 4.18Å; F205-F209 AromaticContact CZ-CD2 3.52Å; F205-F209 HydrophobicContact CZ-CD2 3.52Å; F205-F209 HydrophobicContact CZ-CE2 4.2Å; F205-F209 AromaticContact CZ-CG 3.5Å; F205-F209 HydrophobicContact CZ-CG 3.5Å; F205-F209 WeakPolarHBondContact O-CB 3.49Å; F205-F209 PolarHBondContact O-N 3.08Å; L207-F209 PolarHBondContact O-N 3.11Å; F209-K212 PolarHBondContact O-N 2.76Å; F209-L213 HydrophobicContact CD1-CD1 3.67Å; F209-L213 HydrophobicContact CD2-CD1 4.2Å; F209-L213 HydrophobicContact CE1-CD1 3.19Å; F209-L213 HydrophobicContact CE2-CD1 3.77Å; F209-L213 HydrophobicContact CE2-CG 4.47Å; F209-L213 HydrophobicContact CG-CD1 4.16Å; F209-L213 HydrophobicContact CZ-CD1 3.25Å; F209-L213 HydrophobicContact CZ-CG 4.33Å; F209-L213 WeakPolarHBondContact O-CB 3.36Å; F209-L213 PolarHBondContact O-N 3.38Å; F209-L213 VanDerWaalsContact O-N 3.08Å
210	Q	66.1	Low	65	Low	55 Å²	55	60 Å²	60	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-49.9	173.7	-175.8	-178.7	-11.7	0	0	111	G206 L207 Q208 K212 L213 C214	G206-Q210 WeakPolarHBondContact O-CB 3.47Å; G206-Q210 PolarHBondContact O-N 2.95Å; L207-Q210 WeakPolarHBondContact O-CB 2.99Å; L207-Q210 PolarHBondContact O-N 3.06Å; Q208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-K212 PolarHBondContact O-N 2.87Å; Q210-L213 PolarHBondContact O-N 3.27Å; Q210-C214 WeakPolarHBondContact O-CB 3.27Å; Q210-C214 PolarHBondContact O-N 3.26Å; Q210-C214 PolarHBondContact O-SG 3.3Å
211	D	63.6	Low	64.1	Low	112 Å²	112	63.6 Å²	63.6	60%	0.599	34%	0.336	S	S	*	.	H	α-helix	trans	-57.7	-38.1	179.9	-71.1	-21.9	0	0	0	112.5	L207	L207-D211 PolarHBondContact O-N 3.06Å
212	K	64.9	Low	63.2	Low	52 Å²	52	65.3 Å²	65.3	23%	0.226	35%	0.351	C	S	.	.	H	α-helix	trans	-71.9	-35.5	178.6	-73	176.8	173.1	176.3	0	114	D191 Q208 F209 Q210	D191-K212 VanDerWaalsContact CB-NZ 3.3Å; D191-K212 PolarHBondContact O-NZ 3.1Å; D191-K212 WeakPolarHBondContact OD1-CE 3.26Å; D191-K212 IonicContact OD1-NZ 2.99Å; D191-K212 PolarHBondContact OD1-NZ 3.39Å; Q208-K212 WeakPolarHBondContact O-CG 3Å; Q208-K212 PolarHBondContact O-N 2.8Å; F209-K212 PolarHBondContact O-N 2.76Å; Q210-K212 PolarHBondContact O-N 2.87Å
213	L	66.6	Low	62.3	Low	20 Å²	20	72.7 Å²	72.7	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-79	-21.7	176.9	-87.3	162.8	0	0	0	113.5	L67 F209 Q210	L67-L213 HydrophobicContact CD2-CD1 4.47Å; F209-L213 HydrophobicContact CD1-CD1 3.67Å; F209-L213 HydrophobicContact CD2-CD1 4.2Å; F209-L213 HydrophobicContact CE1-CD1 3.19Å; F209-L213 HydrophobicContact CE2-CD1 3.77Å; F209-L213 HydrophobicContact CE2-CG 4.47Å; F209-L213 HydrophobicContact CG-CD1 4.16Å; F209-L213 HydrophobicContact CZ-CD1 3.25Å; F209-L213 HydrophobicContact CZ-CG 4.33Å; F209-L213 WeakPolarHBondContact O-CB 3.36Å; F209-L213 PolarHBondContact O-N 3.38Å; F209-L213 VanDerWaalsContact O-N 3.08Å; Q210-L213 PolarHBondContact O-N 3.27Å
214	C	61.2	Low	62.2	Low	41 Å²	41	68.8 Å²	68.8	28%	0.277	38%	0.376	S	S	.	.	S	Bend	trans	-106.8	6.8	-160.1	-62.4	0	0	0	0	117.2	C31 Q210	C31-C214 HydrophobicContact CB-CB 3.83Å; C31-C214 WeakPolarHBondContact CB-SG 3.48Å; C31-C214 WeakPolarHBondContact SG-CA 3.45Å; C31-C214 WeakPolarHBondContact SG-CB 3.24Å; C31-C214 CovalentContact SG-SG 1.98Å; C31-C214 PolarHBondContact SG-SG 3.18Å; Q210-C214 WeakPolarHBondContact O-CB 3.27Å; Q210-C214 PolarHBondContact O-N 3.26Å; Q210-C214 PolarHBondContact O-SG 3.3Å
215	G	53.5	Low	62.1	Low	64 Å²	64	66.2 Å²	66.2	66%	0.66	37%	0.374	S	S	*	.			trans	120.5	93.4	158.1	0	0	0	0	0	115.2
216	I	51.5	Low	62.3	Low	89 Å²	89	67 Å²	67	46%	0.456	38%	0.379	S	S	.	.			trans	-132	124.9	154.9	-61.2	177	0	0	0	106.6	L218 E221	I216-L218 PolarHBondContact O-N 3.35Å; I216-L218 VanDerWaalsContact O-N 3.15Å; I216-E221 HydrophobicContact CG2-CB 3.91Å; I216-E221 HydrophobicContact CG2-CG 4.27Å
217	D	54.1	Low	62.7	Low	72 Å²	72	71.3 Å²	71.3	39%	0.385	40%	0.397	S	S	.	.			trans	-74.9	95.6	165.4	-174.3	-28.5	0	0	0	106.7	C219 L220 E221 S232	D217-C219 PolarHBondContact O-N 3.41Å; D217-C219 VanDerWaalsContact O-N 3.11Å; D217-C219 WeakPolarHBondContact OD1-CB 3.14Å; D217-C219 PolarHBondContact OD1-N 2.69Å; D217-L220 HydrophobicContact CB-CB 4.22Å; D217-L220 HydrophobicContact CB-CD1 4Å; D217-L220 HydrophobicContact CB-CG 4.22Å; D217-L220 PolarHBondContact O-N 3.04Å; D217-L220 WeakPolarHBondContact OD2-CD1 3.38Å; D217-E221 PolarHBondContact O-N 2.77Å; D217-S232 WeakPolarHBondContact OD1-CB 3.35Å; D217-S232 PolarHBondContact OD1-OG 2.01Å
218	L	58.9	Low	63.5	Low	45 Å²	45	69.4 Å²	69.4	24%	0.236	39%	0.385	C	S	.	.	H	α-helix	trans	-60.5	-21.4	-174.3	-77.4	115.7	0	0	0	113.2	I216 L220 S232 F237	I216-L218 PolarHBondContact O-N 3.35Å; I216-L218 VanDerWaalsContact O-N 3.15Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-S232 PolarHBondContact N-OG 3.42Å; L218-F237 HydrophobicContact CB-CB 4.25Å; L218-F237 HydrophobicContact CB-CD1 3.97Å; L218-F237 HydrophobicContact CB-CG 4.49Å; L218-F237 HydrophobicContact CD2-CD1 4.27Å
219	C	62.6	Low	64	Low	25 Å²	25	68.7 Å²	68.7	17%	0.169	38%	0.384	C	S	.	.	H	α-helix	trans	-77.4	-12.9	173.1	-60.3	0	0	0	0	113.9	D217 C230 E231 S232	D217-C219 PolarHBondContact O-N 3.41Å; D217-C219 VanDerWaalsContact O-N 3.11Å; D217-C219 WeakPolarHBondContact OD1-CB 3.14Å; D217-C219 PolarHBondContact OD1-N 2.69Å; C219-C230 HydrophobicContact CB-CB 3.81Å; C219-C230 WeakPolarHBondContact CB-SG 3.08Å; C219-C230 WeakPolarHBondContact SG-CB 3.35Å; C219-C230 CovalentContact SG-SG 2.04Å; C219-C230 PolarHBondContact SG-SG 2.82Å; C219-E231 VanDerWaalsContact SG-C 3.57Å; C219-E231 PolarHBondContact SG-N 3.39Å; C219-S232 WeakPolarHBondContact CB-OG 3.34Å; C219-S232 PolarHBondContact N-OG 2.86Å; C219-S232 VanDerWaalsContact N-OG 3.08Å; C219-S232 PolarHBondContact SG-N 2.93Å; C219-S232 PolarHBondContact SG-OG 2.89Å
220	L	56.1	Low	64.1	Low	138 Å²	138	70.1 Å²	70.1	72%	0.723	39%	0.394	S	S	*	.	H	α-helix	trans	-107.7	-23.9	-179.8	-66.5	177.8	0	0	0	113.8	D217 L218	D217-L220 HydrophobicContact CB-CB 4.22Å; D217-L220 HydrophobicContact CB-CD1 4Å; D217-L220 HydrophobicContact CB-CG 4.22Å; D217-L220 PolarHBondContact O-N 3.04Å; D217-L220 WeakPolarHBondContact OD2-CD1 3.38Å; L218-L220 VanDerWaalsContact C-N 3.32Å
221	E	52.4	Low	64.6	Low	151 Å²	151	73.2 Å²	73.2	71%	0.706	41%	0.408	S	S	*	.	H	α-helix	trans	-117.1	-3.8	-171	-60.3	-161.1	170.4	0	0	115.4	I216 D217	I216-E221 HydrophobicContact CG2-CB 3.91Å; I216-E221 HydrophobicContact CG2-CG 4.27Å; D217-E221 PolarHBondContact O-N 2.77Å
222	S	52.6	Low	64.4	Low	72 Å²	72	69.8 Å²	69.8	50%	0.503	39%	0.393	S	S	.	.	S	Bend	trans	-134.2	154.5	179.7	-171.3	0	0	0	0	113.2	H224	S222-H224 VanDerWaalsContact C-N 3.27Å; S222-H224 PolarHBondContact O-CD2 3.12Å; S222-H224 VanDerWaalsContact O-CD2 3.31Å; S222-H224 PolarHBondContact O-N 3.36Å
223	D	54.4	Low	63.9	Low	159 Å²	159	69.9 Å²	69.9	85%	0.85	40%	0.4	S	S	*	.			trans	-75.7	79.7	168.9	-173.1	10.7	0	0	0	109.7	G225	D223-G225 VanDerWaalsContact C-N 3.26Å; D223-G225 PolarHBondContact O-N 3.49Å
224	H	67.1	Low	63.1	Low	41 Å²	41	72.8 Å²	72.8	19%	0.19	42%	0.42	C	S	.	.			trans	-72.3	-16.1	-170.4	54	75.9	0	0	0	113.7	S222 C226 F237 K252	S222-H224 VanDerWaalsContact C-N 3.27Å; S222-H224 PolarHBondContact O-CD2 3.12Å; S222-H224 VanDerWaalsContact O-CD2 3.31Å; S222-H224 PolarHBondContact O-N 3.36Å; H224-C226 VanDerWaalsContact C-N 3.34Å; H224-C226 PolarHBondContact ND1-N 3.43Å; H224-C226 PolarHBondContact O-N 3.41Å; H224-F237 HydrophobicContact CB-CD1 4.31Å; H224-F237 HydrophobicContact CB-CD2 3.96Å; H224-F237 HydrophobicContact CB-CE1 3.99Å; H224-F237 HydrophobicContact CB-CE2 3.62Å; H224-F237 HydrophobicContact CB-CG 4.3Å; H224-F237 HydrophobicContact CB-CZ 3.63Å; H224-F237 WeakPolarHBondContact O-CE2 3.34Å; H224-F237 VanDerWaalsContact O-CZ 3.24Å; H224-F237 WeakPolarHBondContact O-CZ 3.35Å; H224-K252 PolarHBondContact O-NZ 3.13Å
225	G	66.6	Low	62.6	Low	37 Å²	37	71.6 Å²	71.6	38%	0.381	42%	0.415	S	S	.	.			trans	68.4	24.6	173.7	0	0	0	0	0	115.2	D223	D223-G225 VanDerWaalsContact C-N 3.26Å; D223-G225 PolarHBondContact O-N 3.49Å
226	C	77.8	Confident	62.9	Low	18 Å²	18	70.6 Å²	70.6	12%	0.122	40%	0.398	C	S	.	.			trans	-78.9	129.5	171	-62.6	0	0	0	0	109.6	H224 H228 C230 C239	H224-C226 VanDerWaalsContact C-N 3.34Å; H224-C226 PolarHBondContact ND1-N 3.43Å; H224-C226 PolarHBondContact O-N 3.41Å; C226-H228 PolarHBondContact O-N 3.29Å; C226-C230 HydrophobicContact CB-CB 4.2Å; C226-C239 WeakPolarHBondContact CA-SG 3.5Å; C226-C239 HydrophobicContact CB-CB 3.68Å; C226-C239 WeakPolarHBondContact CB-SG 3.25Å; C226-C239 VanDerWaalsContact SG-CA 3.51Å; C226-C239 WeakPolarHBondContact SG-CB 3.35Å; C226-C239 CovalentContact SG-SG 2.03Å; C226-C239 PolarHBondContact SG-SG 3.42Å
227	E	78.4	Confident	63.8	Low	102 Å²	102	68.8 Å²	68.8	48%	0.477	39%	0.387	S	S	.	.	S	Bend	trans	-69.4	-32.6	-178.5	-174.4	174.7	170.3	0	0	113.2	K252 T253 C254	E227-K252 PolarHBondContact N-O 3.14Å; E227-T253 WeakPolarHBondContact OE2-CA 3.4Å; E227-T253 WeakPolarHBondContact OE2-CB 3.35Å; E227-C254 PolarHBondContact OE2-N 3.04Å
228	H	82.7	Confident	64.8	Low	63 Å²	63	68.7 Å²	68.7	29%	0.292	39%	0.389	S	S	.	.	S	Bend	trans	-121.8	-82.2	-176.4	-75.3	155.8	0	0	0	113.9	C226 H240 L242 Y245 C254	C226-H228 PolarHBondContact O-N 3.29Å; H228-H240 WeakPolarHBondContact CB-O 3.45Å; H228-L242 HydrophobicContact CB-CD1 4.47Å; H228-L242 HydrophobicContact CB-CG 4.16Å; H228-L242 PolarHBondContact ND1-N 2.78Å; H228-Y245 AromaticContact CE1-CD1 3.64Å; H228-Y245 AromaticContact CE1-CD2 3.98Å; H228-Y245 AromaticContact CE1-CE1 3.97Å; H228-Y245 AromaticContact CE1-CG 3.64Å; H228-C254 VanDerWaalsContact ND1-CB 3.31Å; H228-C254 WeakPolarHBondContact ND1-CB 3.48Å; H228-C254 PolarHBondContact ND1-SG 3.35Å
229	L	78.8	Confident	65.9	Low	85 Å²	85	66.8 Å²	66.8	45%	0.445	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.9	-176.6	-78.7	135.8	0	0	0	110.1	C239 H240 L242	L229-C239 CarbonylContact O-C 3.51Å; L229-C239 VanDerWaalsContact O-CA 3.27Å; L229-C239 WeakPolarHBondContact O-CA 3.19Å; L229-H240 HydrophobicContact CB-CB 3.97Å; L229-H240 WeakPolarHBondContact CB-O 3.41Å; L229-H240 PolarHBondContact N-O 2.83Å; L229-H240 PolarHBondContact O-N 2.98Å; L229-L242 HydrophobicContact CD1-CD2 3.6Å; L229-L242 HydrophobicContact CD1-CG 4.04Å; L229-L242 HydrophobicContact CG-CD2 4.47Å
230	C	77.2	Confident	66.8	Low	32 Å²	32	69.4 Å²	69.4	22%	0.216	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.1	173.6	-176.4	0	0	0	0	108.5	C219 C226	C219-C230 HydrophobicContact CB-CB 3.81Å; C219-C230 WeakPolarHBondContact CB-SG 3.08Å; C219-C230 WeakPolarHBondContact SG-CB 3.35Å; C219-C230 CovalentContact SG-SG 2.04Å; C219-C230 PolarHBondContact SG-SG 2.82Å; C226-C230 HydrophobicContact CB-CB 4.2Å
231	E	75	Confident	68.2	Low	119 Å²	119	64.2 Å²	64.2	56%	0.556	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.1	173.6	-173	174.1	-158.5	0	0	109.7	C219 F237 T238 H240	C219-E231 VanDerWaalsContact SG-C 3.57Å; C219-E231 PolarHBondContact SG-N 3.39Å; E231-F237 CarbonylContact O-C 3.54Å; E231-F237 WeakPolarHBondContact O-CA 3.39Å; E231-T238 PolarHBondContact N-O 2.89Å; E231-T238 PolarHBondContact O-N 3.41Å; E231-H240 IonicContact OE2-CE1 2.73Å; E231-H240 PolarHBondContact OE2-CE1 3.18Å; E231-H240 IonicContact OE2-ND1 2.92Å
232	S	59.4	Low	69.6	Low	40 Å²	40	60.8 Å²	60.8	28%	0.28	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.6	-178.5	-74.7	0	0	0	0	112.3	D217 L218 C219	D217-S232 WeakPolarHBondContact OD1-CB 3.35Å; D217-S232 PolarHBondContact OD1-OG 2.01Å; L218-S232 PolarHBondContact N-OG 3.42Å; C219-S232 WeakPolarHBondContact CB-OG 3.34Å; C219-S232 PolarHBondContact N-OG 2.86Å; C219-S232 VanDerWaalsContact N-OG 3.08Å; C219-S232 PolarHBondContact SG-N 2.93Å; C219-S232 PolarHBondContact SG-OG 2.89Å
233	S	54.4	Low	70.6	Confident	54 Å²	54	63.1 Å²	63.1	38%	0.378	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.4	169.3	-67	0	0	0	0	108.9	G235 S236	S233-G235 PolarHBondContact O-N 3.43Å; S233-S236 CarbonylContact C-O 3.53Å; S233-S236 WeakPolarHBondContact CA-O 3.36Å; S233-S236 PolarHBondContact N-O 3.29Å; S233-S236 PolarHBondContact O-N 2.03Å
234	P	49.8	Very low	71.4	Confident	81 Å²	81	56.5 Å²	56.5	53%	0.526	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	110.9	176.5	-21.8	32.9	0	0	0	110.5
235	G	51.6	Low	72.2	Confident	17 Å²	17	58.2 Å²	58.2	18%	0.175	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-1.5	-178.2	0	0	0	0	0	116.7	S233	S233-G235 PolarHBondContact O-N 3.43Å
236	S	59.9	Low	73	Confident	43 Å²	43	63 Å²	63	30%	0.301	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	175.3	-178.4	-172.1	0	0	0	0	113	S233	S233-S236 CarbonylContact C-O 3.53Å; S233-S236 WeakPolarHBondContact CA-O 3.36Å; S233-S236 PolarHBondContact N-O 3.29Å; S233-S236 PolarHBondContact O-N 2.03Å
237	F	70.6	Confident	73.2	Confident	50 Å²	50	65.8 Å²	65.8	22%	0.219	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.9	171.9	66.8	-86.1	0	0	0	110.5	L218 H224 E231	L218-F237 HydrophobicContact CB-CB 4.25Å; L218-F237 HydrophobicContact CB-CD1 3.97Å; L218-F237 HydrophobicContact CB-CG 4.49Å; L218-F237 HydrophobicContact CD2-CD1 4.27Å; H224-F237 HydrophobicContact CB-CD1 4.31Å; H224-F237 HydrophobicContact CB-CD2 3.96Å; H224-F237 HydrophobicContact CB-CE1 3.99Å; H224-F237 HydrophobicContact CB-CE2 3.62Å; H224-F237 HydrophobicContact CB-CG 4.3Å; H224-F237 HydrophobicContact CB-CZ 3.63Å; H224-F237 WeakPolarHBondContact O-CE2 3.34Å; H224-F237 VanDerWaalsContact O-CZ 3.24Å; H224-F237 WeakPolarHBondContact O-CZ 3.35Å; E231-F237 CarbonylContact O-C 3.54Å; E231-F237 WeakPolarHBondContact O-CA 3.39Å
238	T	75	Confident	73.2	Confident	70 Å²	70	63.3 Å²	63.3	43%	0.429	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.9	175.7	-54.2	0	0	0	0	110.3	E231 H240	E231-T238 PolarHBondContact N-O 2.89Å; E231-T238 PolarHBondContact O-N 3.41Å; T238-H240 PolarHBondContact O-ND1 3.11Å
239	C	81.8	Confident	72.8	Confident	6 Å²	6	66 Å²	66	4%	0.041	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136	174.4	-54	0	0	0	0	111	C226 L229 L247 G251	C226-C239 WeakPolarHBondContact CA-SG 3.5Å; C226-C239 HydrophobicContact CB-CB 3.68Å; C226-C239 WeakPolarHBondContact CB-SG 3.25Å; C226-C239 VanDerWaalsContact SG-CA 3.51Å; C226-C239 WeakPolarHBondContact SG-CB 3.35Å; C226-C239 CovalentContact SG-SG 2.03Å; C226-C239 PolarHBondContact SG-SG 3.42Å; L229-C239 CarbonylContact O-C 3.51Å; L229-C239 VanDerWaalsContact O-CA 3.27Å; L229-C239 WeakPolarHBondContact O-CA 3.19Å; C239-L247 HydrophobicContact CB-CD1 4.29Å; C239-L247 WeakPolarHBondContact O-CD2 3.39Å; C239-G251 WeakPolarHBondContact CB-O 3.48Å
240	H	82.2	Confident	72.5	Confident	80 Å²	80	66.2 Å²	66.2	37%	0.37	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.3	176.1	-66.5	96	0	0	0	110.1	H228 L229 E231 T238	H228-H240 WeakPolarHBondContact CB-O 3.45Å; L229-H240 HydrophobicContact CB-CB 3.97Å; L229-H240 WeakPolarHBondContact CB-O 3.41Å; L229-H240 PolarHBondContact N-O 2.83Å; L229-H240 PolarHBondContact O-N 2.98Å; E231-H240 IonicContact OE2-CE1 2.73Å; E231-H240 PolarHBondContact OE2-CE1 3.18Å; E231-H240 IonicContact OE2-ND1 2.92Å; T238-H240 PolarHBondContact O-ND1 3.11Å
241	C	84.6	Confident	72.4	Confident	28 Å²	28	66.3 Å²	66.3	19%	0.189	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-98.6	146.8	176.1	-61.6	0	0	0	0	111.6	R246 L247 C254	C241-R246 VanDerWaalsContact SG-C 3.54Å; C241-L247 WeakPolarHBondContact SG-CA 3.39Å; C241-L247 VanDerWaalsContact SG-CD1 3.59Å; C241-L247 PolarHBondContact SG-N 3.01Å; C241-C254 WeakPolarHBondContact CA-SG 2.93Å; C241-C254 HydrophobicContact CB-CB 3.91Å; C241-C254 WeakPolarHBondContact CB-SG 3.42Å; C241-C254 VanDerWaalsContact SG-CA 3.59Å; C241-C254 WeakPolarHBondContact SG-CB 3.44Å; C241-C254 CovalentContact SG-SG 2.03Å; C241-C254 PolarHBondContact SG-SG 2.95Å
242	L	81	Confident	72.5	Confident	79 Å²	79	65 Å²	65	41%	0.414	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-60.6	152.1	170.8	-72.4	166.9	0	0	0	111	H228 L229 G244 Y245	H228-L242 HydrophobicContact CB-CD1 4.47Å; H228-L242 HydrophobicContact CB-CG 4.16Å; H228-L242 PolarHBondContact ND1-N 2.78Å; L229-L242 HydrophobicContact CD1-CD2 3.6Å; L229-L242 HydrophobicContact CD1-CG 4.04Å; L229-L242 HydrophobicContact CG-CD2 4.47Å; L242-G244 PolarHBondContact O-N 2.84Å; L242-Y245 HydrophobicContact CB-CD2 4.34Å; L242-Y245 WeakPolarHBondContact O-CB 3.37Å; L242-Y245 PolarHBondContact O-N 2.95Å; L242-Y245 VanDerWaalsContact O-N 3.1Å
243	P	75.4	Confident	73.5	Confident	122 Å²	122	65.3 Å²	65.3	79%	0.792	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	131.7	176.4	-26.5	34.6	0	0	0	112.2
244	G	70.2	Confident	75	Confident	19 Å²	19	63.2 Å²	63.2	20%	0.196	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	1.6	-175.4	0	0	0	0	0	115.3	L242 I257 P275 G276	L242-G244 PolarHBondContact O-N 2.84Å; G244-I257 WeakPolarHBondContact O-CB 3.41Å; G244-I257 WeakPolarHBondContact O-CG1 3.23Å; G244-I257 PolarHBondContact O-N 2.9Å; G244-P275 CarbonylContact O-C 3.58Å; G244-G276 PolarHBondContact O-N 2.86Å
245	Y	83.1	Confident	76.5	Confident	77 Å²	77	60.7 Å²	60.7	30%	0.302	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.2	173.8	-63.2	-103.1	0	0	0	110.4	H228 L242 S255 A256 P275	H228-Y245 AromaticContact CE1-CD1 3.64Å; H228-Y245 AromaticContact CE1-CD2 3.98Å; H228-Y245 AromaticContact CE1-CE1 3.97Å; H228-Y245 AromaticContact CE1-CG 3.64Å; L242-Y245 HydrophobicContact CB-CD2 4.34Å; L242-Y245 WeakPolarHBondContact O-CB 3.37Å; L242-Y245 PolarHBondContact O-N 2.95Å; L242-Y245 VanDerWaalsContact O-N 3.1Å; Y245-S255 CarbonylContact C-O 3.57Å; Y245-S255 VanDerWaalsContact CA-O 3.29Å; Y245-S255 WeakPolarHBondContact CA-O 3.35Å; Y245-A256 VanDerWaalsContact CD1-CA 3.45Å; Y245-A256 HydrophobicContact CD1-CB 3.89Å; Y245-A256 HydrophobicContact CE1-CB 3.68Å; Y245-P275 HydrophobicContact CD2-CB 4.14Å; Y245-P275 HydrophobicContact CE1-CB 4Å; Y245-P275 HydrophobicContact CE1-CG 4.28Å; Y245-P275 HydrophobicContact CE2-CB 3.45Å; Y245-P275 VanDerWaalsContact CE2-CB 3.45Å; Y245-P275 HydrophobicContact CE2-CG 4.17Å; Y245-P275 VanDerWaalsContact OH-CG 3.24Å; Y245-P275 WeakPolarHBondContact OH-CG 3.48Å
246	R	83.7	Confident	77.7	Confident	138 Å²	138	62.3 Å²	62.3	52%	0.521	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.3	175.5	67.2	-175.4	180	-158.5	1.1	110.5	C241 C254 S255 I257 E262	C241-R246 VanDerWaalsContact SG-C 3.54Å; R246-C254 CarbonylContact O-C 3.56Å; R246-C254 WeakPolarHBondContact O-CA 3.43Å; R246-S255 WeakPolarHBondContact CG-OG 2.99Å; R246-S255 PolarHBondContact N-O 3.41Å; R246-S255 PolarHBondContact NE-OG 2.86Å; R246-S255 VanDerWaalsContact NE-OG 3.12Å; R246-S255 PolarHBondContact O-N 3.01Å; R246-I257 HydrophobicContact CB-CD1 4.35Å; R246-I257 HydrophobicContact CB-CG1 4.26Å; R246-I257 HydrophobicContact CG-CG1 4.4Å; R246-E262 IonicContact NH1-OE1 3.29Å
247	L	82.9	Confident	78.6	Confident	76 Å²	76	62.4 Å²	62.4	40%	0.398	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.6	177.5	-167.2	71.1	0	0	0	109.7	C239 C241	C239-L247 HydrophobicContact CB-CD1 4.29Å; C239-L247 WeakPolarHBondContact O-CD2 3.39Å; C241-L247 WeakPolarHBondContact SG-CA 3.39Å; C241-L247 VanDerWaalsContact SG-CD1 3.59Å; C241-L247 PolarHBondContact SG-N 3.01Å
248	N	77.1	Confident	79	Confident	50 Å²	50	62.8 Å²	62.8	27%	0.267	36%	0.364	S	S	.	.			trans	-78.6	167.4	180	-63.5	-30.9	0	0	0	110.7	D250 G251 T253 S255	N248-D250 PolarHBondContact O-N 3.32Å; N248-D250 VanDerWaalsContact O-N 3.1Å; N248-G251 PolarHBondContact O-N 3.47Å; N248-T253 WeakPolarHBondContact CB-O 3.46Å; N248-T253 WeakPolarHBondContact CB-OG1 3.24Å; N248-T253 PolarHBondContact N-O 3Å; N248-T253 PolarHBondContact ND2-O 3.19Å; N248-T253 PolarHBondContact ND2-OG1 3.39Å; N248-S255 VanDerWaalsContact OD1-CB 3.25Å; N248-S255 WeakPolarHBondContact OD1-CB 3.39Å; N248-S255 PolarHBondContact OD1-N 3Å; N248-S255 PolarHBondContact OD1-OG 3.28Å
249	A	74.7	Confident	79.3	Confident	119 Å²	119	61 Å²	61	98%	0.983	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.2	-174.7	0	0	0	0	0	114.4	G251	A249-G251 PolarHBondContact O-N 3.13Å
250	D	72.6	Confident	79.2	Confident	91 Å²	91	61.8 Å²	61.8	49%	0.487	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.1	173.5	63.7	6.3	0	0	0	113.3	N248 K252 T253	N248-D250 PolarHBondContact O-N 3.32Å; N248-D250 VanDerWaalsContact O-N 3.1Å; D250-K252 PolarHBondContact O-N 2.74Å; D250-K252 PolarHBondContact OD1-N 3.33Å; D250-T253 VanDerWaalsContact CG-OG1 3.22Å; D250-T253 PolarHBondContact OD1-N 2.85Å; D250-T253 PolarHBondContact OD1-OG1 3.38Å; D250-T253 VanDerWaalsContact OD1-OG1 3.12Å; D250-T253 WeakPolarHBondContact OD2-CB 3.5Å; D250-T253 VanDerWaalsContact OD2-CG2 3.24Å; D250-T253 WeakPolarHBondContact OD2-CG2 3.36Å; D250-T253 PolarHBondContact OD2-OG1 3.44Å
251	G	75	Confident	79	Confident	34 Å²	34	61.7 Å²	61.7	35%	0.351	37%	0.37	S	S	.	.	S	Bend	trans	68.8	10.7	180	0	0	0	0	0	114.4	C239 N248 A249	C239-G251 WeakPolarHBondContact CB-O 3.48Å; N248-G251 PolarHBondContact O-N 3.47Å; A249-G251 PolarHBondContact O-N 3.13Å
252	K	77.3	Confident	78.8	Confident	91 Å²	91	64 Å²	64	40%	0.396	38%	0.378	S	S	.	.	S	Bend	trans	-132.3	-36.8	-173.3	-70.6	-168.4	177.3	-162.7	0	114.3	H224 E227 D250	H224-K252 PolarHBondContact O-NZ 3.13Å; E227-K252 PolarHBondContact N-O 3.14Å; D250-K252 PolarHBondContact O-N 2.74Å; D250-K252 PolarHBondContact OD1-N 3.33Å
253	T	80.1	Confident	78.5	Confident	47 Å²	47	70.8 Å²	70.8	29%	0.288	40%	0.398	S	S	.	.			trans	-99.5	156.8	-177.1	63.7	0	0	0	0	112.2	E227 N248 D250	E227-T253 WeakPolarHBondContact OE2-CA 3.4Å; E227-T253 WeakPolarHBondContact OE2-CB 3.35Å; N248-T253 WeakPolarHBondContact CB-O 3.46Å; N248-T253 WeakPolarHBondContact CB-OG1 3.24Å; N248-T253 PolarHBondContact N-O 3Å; N248-T253 PolarHBondContact ND2-O 3.19Å; N248-T253 PolarHBondContact ND2-OG1 3.39Å; D250-T253 VanDerWaalsContact CG-OG1 3.22Å; D250-T253 PolarHBondContact OD1-N 2.85Å; D250-T253 PolarHBondContact OD1-OG1 3.38Å; D250-T253 VanDerWaalsContact OD1-OG1 3.12Å; D250-T253 WeakPolarHBondContact OD2-CB 3.5Å; D250-T253 VanDerWaalsContact OD2-CG2 3.24Å; D250-T253 WeakPolarHBondContact OD2-CG2 3.36Å; D250-T253 PolarHBondContact OD2-OG1 3.44Å
254	C	86.5	Confident	78.8	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.061	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.1	-172.6	-67.9	0	0	0	0	110.8	E227 H228 C241 R246	E227-C254 PolarHBondContact OE2-N 3.04Å; H228-C254 VanDerWaalsContact ND1-CB 3.31Å; H228-C254 WeakPolarHBondContact ND1-CB 3.48Å; H228-C254 PolarHBondContact ND1-SG 3.35Å; C241-C254 WeakPolarHBondContact CA-SG 2.93Å; C241-C254 HydrophobicContact CB-CB 3.91Å; C241-C254 WeakPolarHBondContact CB-SG 3.42Å; C241-C254 VanDerWaalsContact SG-CA 3.59Å; C241-C254 WeakPolarHBondContact SG-CB 3.44Å; C241-C254 CovalentContact SG-SG 2.03Å; C241-C254 PolarHBondContact SG-SG 2.95Å; R246-C254 CarbonylContact O-C 3.56Å; R246-C254 WeakPolarHBondContact O-CA 3.43Å
255	S	80.6	Confident	79.3	Confident	29 Å²	29	73.1 Å²	73.1	20%	0.203	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.3	172.4	50.6	0	0	0	0	111.9	Y245 R246 N248	Y245-S255 CarbonylContact C-O 3.57Å; Y245-S255 VanDerWaalsContact CA-O 3.29Å; Y245-S255 WeakPolarHBondContact CA-O 3.35Å; R246-S255 WeakPolarHBondContact CG-OG 2.99Å; R246-S255 PolarHBondContact N-O 3.41Å; R246-S255 PolarHBondContact NE-OG 2.86Å; R246-S255 VanDerWaalsContact NE-OG 3.12Å; R246-S255 PolarHBondContact O-N 3.01Å; N248-S255 VanDerWaalsContact OD1-CB 3.25Å; N248-S255 WeakPolarHBondContact OD1-CB 3.39Å; N248-S255 PolarHBondContact OD1-N 3Å; N248-S255 PolarHBondContact OD1-OG 3.28Å
256	A	77.5	Confident	79.4	Confident	51 Å²	51	74.5 Å²	74.5	42%	0.421	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.5	174.6	0	0	0	0	0	110.7	Y245 D258 P275	Y245-A256 VanDerWaalsContact CD1-CA 3.45Å; Y245-A256 HydrophobicContact CD1-CB 3.89Å; Y245-A256 HydrophobicContact CE1-CB 3.68Å; A256-D258 PolarHBondContact O-N 3.08Å; A256-P275 HydrophobicContact CB-CB 3.98Å; A256-P275 HydrophobicContact CB-CG 4.12Å
257	I	79	Confident	79.5	Confident	45 Å²	45	68.9 Å²	68.9	23%	0.231	39%	0.386	C	S	.	.			trans	-83.9	109.2	175.1	-59.1	170	0	0	0	108	G244 R246 L259 G276	G244-I257 WeakPolarHBondContact O-CB 3.41Å; G244-I257 WeakPolarHBondContact O-CG1 3.23Å; G244-I257 PolarHBondContact O-N 2.9Å; R246-I257 HydrophobicContact CB-CD1 4.35Å; R246-I257 HydrophobicContact CB-CG1 4.26Å; R246-I257 HydrophobicContact CG-CG1 4.4Å; I257-L259 HydrophobicContact CG2-CD2 4.17Å; I257-G276 PolarHBondContact O-N 3.25Å
258	D	79.1	Confident	79.6	Confident	57 Å²	57	70.6 Å²	70.6	31%	0.305	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-92.6	100.4	177.9	-170.5	-32.7	0	0	0	111.2	A256 C260 A261 E262 S273	A256-D258 PolarHBondContact O-N 3.08Å; D258-C260 VanDerWaalsContact C-N 3.31Å; D258-C260 PolarHBondContact O-N 2.9Å; D258-C260 WeakPolarHBondContact OD1-CA 3.33Å; D258-C260 WeakPolarHBondContact OD1-CB 3.39Å; D258-C260 PolarHBondContact OD1-N 3.22Å; D258-A261 HydrophobicContact CB-CB 3.96Å; D258-A261 PolarHBondContact O-N 2.86Å; D258-A261 PolarHBondContact OD1-N 3.26Å; D258-E262 WeakPolarHBondContact O-CG 3.3Å; D258-E262 PolarHBondContact O-N 3.46Å; D258-E262 VanDerWaalsContact O-N 3.13Å; D258-S273 VanDerWaalsContact CG-CB 3.43Å; D258-S273 WeakPolarHBondContact OD1-CB 3.39Å; D258-S273 PolarHBondContact OD1-OG 3.4Å; D258-S273 WeakPolarHBondContact OD2-CB 3.06Å; D258-S273 PolarHBondContact OD2-OG 2.73Å
259	L	80.5	Confident	80	Confident	33 Å²	33	71 Å²	71	17%	0.173	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23	179.8	-64.9	176.7	0	0	0	113.7	I257 R263 K264 G276 F278	I257-L259 HydrophobicContact CG2-CD2 4.17Å; L259-R263 PolarHBondContact O-N 3.26Å; L259-K264 HydrophobicContact CD2-CB 4.35Å; L259-K264 PolarHBondContact O-N 3.2Å; L259-G276 WeakPolarHBondContact CD1-O 3.46Å; L259-F278 HydrophobicContact CB-CD1 4.26Å; L259-F278 HydrophobicContact CD1-CD1 4.07Å
260	C	80.9	Confident	80.5	Confident	22 Å²	22	68 Å²	68	15%	0.149	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-43.7	174.7	-60.6	0	0	0	0	110.3	D258 E262 R263 C271 S273	D258-C260 VanDerWaalsContact C-N 3.31Å; D258-C260 PolarHBondContact O-N 2.9Å; D258-C260 WeakPolarHBondContact OD1-CA 3.33Å; D258-C260 WeakPolarHBondContact OD1-CB 3.39Å; D258-C260 PolarHBondContact OD1-N 3.22Å; C260-E262 VanDerWaalsContact C-N 3.34Å; C260-E262 PolarHBondContact O-N 2.83Å; C260-R263 PolarHBondContact O-N 2.73Å; C260-R263 VanDerWaalsContact O-N 3.15Å; C260-C271 HydrophobicContact CB-CB 3.97Å; C260-C271 WeakPolarHBondContact CB-SG 3.44Å; C260-C271 VanDerWaalsContact SG-C 3.51Å; C260-C271 WeakPolarHBondContact SG-CB 3.29Å; C260-C271 CovalentContact SG-SG 2.05Å; C260-C271 PolarHBondContact SG-SG 2.92Å; C260-S273 VanDerWaalsContact SG-CA 3.58Å; C260-S273 PolarHBondContact SG-N 3.44Å; C260-S273 VanDerWaalsContact SG-N 3.41Å
261	A	77.7	Confident	81.1	Confident	78 Å²	78	65.2 Å²	65.2	65%	0.645	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.7	176.2	0	0	0	0	0	112.6	D258 R263	D258-A261 HydrophobicContact CB-CB 3.96Å; D258-A261 PolarHBondContact O-N 2.86Å; D258-A261 PolarHBondContact OD1-N 3.26Å; A261-R263 PolarHBondContact O-N 3.46Å
262	E	80.6	Confident	81.6	Confident	77 Å²	77	67.2 Å²	67.2	36%	0.36	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.5	175	-70.7	-170	-162	0	0	114.2	R246 D258 C260 K264	R246-E262 IonicContact NH1-OE1 3.29Å; D258-E262 WeakPolarHBondContact O-CG 3.3Å; D258-E262 PolarHBondContact O-N 3.46Å; D258-E262 VanDerWaalsContact O-N 3.13Å; C260-E262 VanDerWaalsContact C-N 3.34Å; C260-E262 PolarHBondContact O-N 2.83Å; E262-K264 HydrophobicContact CB-CD 4.45Å; E262-K264 HydrophobicContact CB-CG 4.42Å; E262-K264 PolarHBondContact O-N 2.92Å; E262-K264 IonicContact OE2-NZ 2.66Å; E262-K264 PolarHBondContact OE2-NZ 3.34Å
263	R	74.3	Confident	81.6	Confident	222 Å²	222	65.5 Å²	65.5	84%	0.838	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	33	-176.1	-57.5	-174	176.1	-169.4	-1.6	114.1	L259 C260 A261	L259-R263 PolarHBondContact O-N 3.26Å; C260-R263 PolarHBondContact O-N 2.73Å; C260-R263 VanDerWaalsContact O-N 3.15Å; A261-R263 PolarHBondContact O-N 3.46Å
264	K	80.7	Confident	81.5	Confident	134 Å²	134	65.5 Å²	65.5	58%	0.583	35%	0.349	S	S	*	.			trans	-105.3	57.9	176.7	-68.7	177.5	-174.6	153.6	0	110.5	L259 E262	L259-K264 HydrophobicContact CD2-CB 4.35Å; L259-K264 PolarHBondContact O-N 3.2Å; E262-K264 HydrophobicContact CB-CD 4.45Å; E262-K264 HydrophobicContact CB-CG 4.42Å; E262-K264 PolarHBondContact O-N 2.92Å; E262-K264 IonicContact OE2-NZ 2.66Å; E262-K264 PolarHBondContact OE2-NZ 3.34Å
265	H	81.7	Confident	80.9	Confident	56 Å²	56	67.9 Å²	67.9	26%	0.259	36%	0.364	S	S	.	.			trans	-147.4	160.2	-179.8	65.8	92.4	0	0	0	111.7	C271 F278	H265-C271 PolarHBondContact ND1-SG 3.07Å; H265-C271 VanDerWaalsContact ND1-SG 3.39Å; H265-F278 HydrophobicContact CB-CD1 3.77Å; H265-F278 HydrophobicContact CB-CD2 3.69Å; H265-F278 HydrophobicContact CB-CE1 3.75Å; H265-F278 HydrophobicContact CB-CE2 3.67Å; H265-F278 HydrophobicContact CB-CG 3.75Å; H265-F278 HydrophobicContact CB-CZ 3.7Å
266	D	85.6	Confident	80.5	Confident	106 Å²	106	67.9 Å²	67.9	57%	0.567	37%	0.369	S	S	*	.			trans	-114.5	23.4	-172.8	-53.2	-24.6	0	0	0	113.5	K293	D266-K293 HydrophobicContact CB-CD 3.97Å; D266-K293 IonicContact OD2-NZ 3.68Å; D266-K293 PolarHBondContact OD2-NZ 3.1Å
267	C	85.1	Confident	80.5	Confident	20 Å²	20	68.6 Å²	68.6	14%	0.135	37%	0.371	C	S	.	.			trans	-74.5	133.4	-177.3	-56.2	0	0	0	0	112.3	I270 C271 C280	C267-I270 WeakPolarHBondContact CB-O 3.16Å; C267-C271 HydrophobicContact CB-CB 4.2Å; C267-C280 WeakPolarHBondContact CA-SG 3.28Å; C267-C280 HydrophobicContact CB-CB 3.57Å; C267-C280 WeakPolarHBondContact CB-SG 3.22Å; C267-C280 WeakPolarHBondContact SG-CA 3.39Å; C267-C280 WeakPolarHBondContact SG-CB 3.32Å; C267-C280 CovalentContact SG-SG 2.04Å; C267-C280 PolarHBondContact SG-SG 3.18Å
268	Q	85.5	Confident	80.7	Confident	111 Å²	111	68.9 Å²	68.9	52%	0.519	37%	0.371	S	S	.	.	S	Bend	trans	-70.5	-39.8	179.1	-174.8	-174.7	-7.4	0	0	113	K293	Q268-K293 WeakPolarHBondContact CB-O 3.26Å; Q268-K293 PolarHBondContact N-O 3.27Å
269	Q	85.6	Confident	81	Confident	59 Å²	59	69.9 Å²	69.9	28%	0.276	38%	0.379	S	S	.	.	S	Bend	trans	-120.6	-76.8	-175.1	-66.4	-175.6	-7.7	0	0	111.9	C295	Q269-C295 HydrophobicContact CG-CB 4.22Å
270	I	84.4	Confident	81.3	Confident	57 Å²	57	69 Å²	69	29%	0.292	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134	-175.5	-52.7	177.4	0	0	0	109.2	C267 I272 C280 D281 N283	C267-I270 WeakPolarHBondContact CB-O 3.16Å; I270-I272 HydrophobicContact CG2-CG1 4.12Å; I270-C280 VanDerWaalsContact O-CA 3.31Å; I270-C280 WeakPolarHBondContact O-CA 3.22Å; I270-D281 HydrophobicContact CB-CB 4.09Å; I270-D281 VanDerWaalsContact CB-O 3.31Å; I270-D281 WeakPolarHBondContact CB-O 3.5Å; I270-D281 HydrophobicContact CG2-CB 4.33Å; I270-D281 PolarHBondContact N-O 2.81Å; I270-D281 PolarHBondContact O-N 2.77Å; I270-N283 WeakPolarHBondContact CD1-OD1 3.35Å; I270-N283 WeakPolarHBondContact CG1-OD1 3.42Å
271	C	86.1	Confident	81.6	Confident	31 Å²	31	71.5 Å²	71.5	21%	0.209	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.9	169.4	-173.6	0	0	0	0	108.5	C260 H265 C267	C260-C271 HydrophobicContact CB-CB 3.97Å; C260-C271 WeakPolarHBondContact CB-SG 3.44Å; C260-C271 VanDerWaalsContact SG-C 3.51Å; C260-C271 WeakPolarHBondContact SG-CB 3.29Å; C260-C271 CovalentContact SG-SG 2.05Å; C260-C271 PolarHBondContact SG-SG 2.92Å; H265-C271 PolarHBondContact ND1-SG 3.07Å; H265-C271 VanDerWaalsContact ND1-SG 3.39Å; C267-C271 HydrophobicContact CB-CB 4.2Å
272	I	85.1	Confident	82	Confident	77 Å²	77	68.3 Å²	68.3	40%	0.395	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.3	175.5	-55.7	176.9	0	0	0	107.1	I270 F278 T279 D281	I270-I272 HydrophobicContact CG2-CG1 4.12Å; I272-F278 WeakPolarHBondContact O-CA 3.38Å; I272-T279 PolarHBondContact N-O 2.95Å; I272-T279 PolarHBondContact O-N 3.26Å; I272-D281 HydrophobicContact CD1-CB 3.75Å; I272-D281 HydrophobicContact CG1-CB 4.35Å
273	S	78.1	Confident	82	Confident	54 Å²	54	68.5 Å²	68.5	38%	0.378	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.6	-176	61	0	0	0	0	111.8	D258 C260	D258-S273 VanDerWaalsContact CG-CB 3.43Å; D258-S273 WeakPolarHBondContact OD1-CB 3.39Å; D258-S273 PolarHBondContact OD1-OG 3.4Å; D258-S273 WeakPolarHBondContact OD2-CB 3.06Å; D258-S273 PolarHBondContact OD2-OG 2.73Å; C260-S273 VanDerWaalsContact SG-CA 3.58Å; C260-S273 PolarHBondContact SG-N 3.44Å; C260-S273 VanDerWaalsContact SG-N 3.41Å
274	S	77.3	Confident	82.1	Confident	47 Å²	47	67.4 Å²	67.4	33%	0.329	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.1	168	-54	0	0	0	0	107.8	G276 S277	S274-G276 PolarHBondContact O-N 2.91Å; S274-S277 CarbonylContact C-O 3.56Å; S274-S277 PolarHBondContact N-O 3.49Å; S274-S277 CarbonylContact O-C 3.59Å; S274-S277 PolarHBondContact O-N 3.03Å
275	P	74.8	Confident	81.7	Confident	59 Å²	59	61.7 Å²	61.7	38%	0.383	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-56.4	109.7	179.6	-25.7	35	0	0	0	112.1	G244 Y245 A256 S277	G244-P275 CarbonylContact O-C 3.58Å; Y245-P275 HydrophobicContact CD2-CB 4.14Å; Y245-P275 HydrophobicContact CE1-CB 4Å; Y245-P275 HydrophobicContact CE1-CG 4.28Å; Y245-P275 HydrophobicContact CE2-CB 3.45Å; Y245-P275 VanDerWaalsContact CE2-CB 3.45Å; Y245-P275 HydrophobicContact CE2-CG 4.17Å; Y245-P275 VanDerWaalsContact OH-CG 3.24Å; Y245-P275 WeakPolarHBondContact OH-CG 3.48Å; A256-P275 HydrophobicContact CB-CB 3.98Å; A256-P275 HydrophobicContact CB-CG 4.12Å; P275-S277 VanDerWaalsContact C-N 3.28Å; P275-S277 PolarHBondContact O-N 3.44Å
276	G	71.3	Confident	81.8	Confident	30 Å²	30	63.1 Å²	63.1	31%	0.309	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	8.4	-176.4	0	0	0	0	0	116.4	G244 I257 L259 S274	G244-G276 PolarHBondContact O-N 2.86Å; I257-G276 PolarHBondContact O-N 3.25Å; L259-G276 WeakPolarHBondContact CD1-O 3.46Å; S274-G276 PolarHBondContact O-N 2.91Å
277	S	77.3	Confident	81.6	Confident	66 Å²	66	62.1 Å²	62.1	46%	0.462	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	172.4	-178	-165.6	0	0	0	0	111.5	S274 P275	S274-S277 CarbonylContact C-O 3.56Å; S274-S277 PolarHBondContact N-O 3.49Å; S274-S277 CarbonylContact O-C 3.59Å; S274-S277 PolarHBondContact O-N 3.03Å; P275-S277 VanDerWaalsContact C-N 3.28Å; P275-S277 PolarHBondContact O-N 3.44Å
278	F	82.5	Confident	81.7	Confident	51 Å²	51	64 Å²	64	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.7	174.9	67.2	-90.4	0	0	0	110.6	L259 H265 I272	L259-F278 HydrophobicContact CB-CD1 4.26Å; L259-F278 HydrophobicContact CD1-CD1 4.07Å; H265-F278 HydrophobicContact CB-CD1 3.77Å; H265-F278 HydrophobicContact CB-CD2 3.69Å; H265-F278 HydrophobicContact CB-CE1 3.75Å; H265-F278 HydrophobicContact CB-CE2 3.67Å; H265-F278 HydrophobicContact CB-CG 3.75Å; H265-F278 HydrophobicContact CB-CZ 3.7Å; I272-F278 WeakPolarHBondContact O-CA 3.38Å
279	T	86	Confident	81.5	Confident	78 Å²	78	60.7 Å²	60.7	48%	0.479	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.7	169.4	50.2	0	0	0	0	109.2	I272	I272-T279 PolarHBondContact N-O 2.95Å; I272-T279 PolarHBondContact O-N 3.26Å
280	C	87.1	Confident	81.4	Confident	13 Å²	13	65.9 Å²	65.9	9%	0.088	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.4	178.9	-52.9	0	0	0	0	110.2	C267 I270 L288 K292	C267-C280 WeakPolarHBondContact CA-SG 3.28Å; C267-C280 HydrophobicContact CB-CB 3.57Å; C267-C280 WeakPolarHBondContact CB-SG 3.22Å; C267-C280 WeakPolarHBondContact SG-CA 3.39Å; C267-C280 WeakPolarHBondContact SG-CB 3.32Å; C267-C280 CovalentContact SG-SG 2.04Å; C267-C280 PolarHBondContact SG-SG 3.18Å; I270-C280 VanDerWaalsContact O-CA 3.31Å; I270-C280 WeakPolarHBondContact O-CA 3.22Å; C280-L288 HydrophobicContact CB-CD1 4.42Å; C280-L288 WeakPolarHBondContact O-CD2 3.31Å; C280-K292 WeakPolarHBondContact CB-O 3.07Å
281	D	86.3	Confident	81.4	Confident	75 Å²	75	67.1 Å²	67.1	40%	0.401	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	167.9	176.1	-160	7.3	0	0	0	110.4	I270 I272	I270-D281 HydrophobicContact CB-CB 4.09Å; I270-D281 VanDerWaalsContact CB-O 3.31Å; I270-D281 WeakPolarHBondContact CB-O 3.5Å; I270-D281 HydrophobicContact CG2-CB 4.33Å; I270-D281 PolarHBondContact N-O 2.81Å; I270-D281 PolarHBondContact O-N 2.77Å; I272-D281 HydrophobicContact CD1-CB 3.75Å; I272-D281 HydrophobicContact CG1-CB 4.35Å
282	C	86.3	Confident	81.2	Confident	12 Å²	12	73 Å²	73	8%	0.081	40%	0.396	C	S	.	.			trans	-113.7	149.1	-175.9	-59.6	0	0	0	0	111.8	L288 C295	C282-L288 WeakPolarHBondContact SG-CA 3.48Å; C282-L288 VanDerWaalsContact SG-CD1 3.55Å; C282-L288 PolarHBondContact SG-N 3.4Å; C282-C295 WeakPolarHBondContact CA-SG 3.45Å; C282-C295 HydrophobicContact CB-CB 3.77Å; C282-C295 WeakPolarHBondContact CB-SG 3.35Å; C282-C295 VanDerWaalsContact SG-CA 3.58Å; C282-C295 WeakPolarHBondContact SG-CB 3.47Å; C282-C295 CovalentContact SG-SG 2.02Å; C282-C295 PolarHBondContact SG-SG 3.43Å
283	N	80.3	Confident	81	Confident	80 Å²	80	73.3 Å²	73.3	43%	0.428	39%	0.394	S	S	.	.			trans	-62.6	152.5	170.7	-66.4	-40.5	0	0	0	110.3	I270 G285 Y286	I270-N283 WeakPolarHBondContact CD1-OD1 3.35Å; I270-N283 WeakPolarHBondContact CG1-OD1 3.42Å; N283-G285 PolarHBondContact O-N 3.11Å; N283-Y286 WeakPolarHBondContact O-CB 3.44Å; N283-Y286 PolarHBondContact O-N 2.96Å; N283-Y286 VanDerWaalsContact O-N 3.14Å
284	Q	77.6	Confident	81.4	Confident	199 Å²	199	72.9 Å²	72.9	93%	0.93	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	132	179.4	-164.1	176.4	6.7	0	0	111.6
285	G	72.6	Confident	81.9	Confident	15 Å²	15	71.1 Å²	71.1	16%	0.155	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	1.4	-175.5	0	0	0	0	0	115.2	N283 I298 P317	N283-G285 PolarHBondContact O-N 3.11Å; G285-I298 WeakPolarHBondContact O-CB 3.34Å; G285-I298 PolarHBondContact O-N 2.96Å; G285-P317 WeakPolarHBondContact CA-O 3.43Å; G285-P317 CarbonylContact O-C 3.51Å; G285-P317 WeakPolarHBondContact O-CB 3.09Å
286	Y	84.1	Confident	82.2	Confident	85 Å²	85	70.1 Å²	70.1	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149	175.8	-65.5	-105.6	0	0	0	110.6	N283 C295 S296 P297 P317	N283-Y286 WeakPolarHBondContact O-CB 3.44Å; N283-Y286 PolarHBondContact O-N 2.96Å; N283-Y286 VanDerWaalsContact O-N 3.14Å; Y286-C295 HydrophobicContact CD1-CB 4.48Å; Y286-S296 CarbonylContact C-O 3.57Å; Y286-S296 WeakPolarHBondContact CA-O 3.47Å; Y286-S296 WeakPolarHBondContact CB-O 3.48Å; Y286-S296 VanDerWaalsContact CD1-C 3.47Å; Y286-P297 HydrophobicContact CD1-CB 4.03Å; Y286-P297 HydrophobicContact CE1-CB 3.71Å; Y286-P297 HydrophobicContact CE1-CG 4.28Å; Y286-P317 HydrophobicContact CD2-CB 4.34Å; Y286-P317 HydrophobicContact CE2-CB 3.84Å; Y286-P317 HydrophobicContact CE2-CG 4.13Å
287	H	81.3	Confident	82.5	Confident	86 Å²	86	72.1 Å²	72.1	40%	0.398	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.2	170.8	68.5	-84.9	0	0	0	110.7	C295 S296 I298	H287-C295 WeakPolarHBondContact O-CA 3.03Å; H287-S296 PolarHBondContact N-O 3.14Å; H287-S296 PolarHBondContact ND1-O 3.47Å; H287-S296 PolarHBondContact O-N 2.93Å; H287-I298 HydrophobicContact CB-CD1 4.13Å; H287-I298 HydrophobicContact CB-CG1 4.17Å
288	L	85.4	Confident	82.6	Confident	60 Å²	60	70.8 Å²	70.8	31%	0.314	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.3	175.6	-169.6	71.9	0	0	0	109.2	C280 C282 K292	C280-L288 HydrophobicContact CB-CD1 4.42Å; C280-L288 WeakPolarHBondContact O-CD2 3.31Å; C282-L288 WeakPolarHBondContact SG-CA 3.48Å; C282-L288 VanDerWaalsContact SG-CD1 3.55Å; C282-L288 PolarHBondContact SG-N 3.4Å; L288-K292 HydrophobicContact CD2-CB 4.38Å
289	N	82.2	Confident	82.5	Confident	40 Å²	40	71 Å²	71	21%	0.214	37%	0.37	C	S	.	.			trans	-70.5	165.2	179.2	-64.1	-33.2	0	0	0	110.9	D291 K292 T294 S296	N289-D291 PolarHBondContact O-N 3.04Å; N289-K292 PolarHBondContact O-N 3.29Å; N289-T294 WeakPolarHBondContact CB-O 3.44Å; N289-T294 PolarHBondContact N-O 3.28Å; N289-T294 PolarHBondContact ND2-O 3.46Å; N289-T294 PolarHBondContact ND2-OG1 3.2Å; N289-S296 VanDerWaalsContact CG-OG 3.29Å; N289-S296 PolarHBondContact ND2-OG 3.32Å; N289-S296 WeakPolarHBondContact OD1-CB 3.42Å; N289-S296 PolarHBondContact OD1-OG 3.41Å
290	D	83.9	Confident	82.2	Confident	169 Å²	169	69 Å²	69	90%	0.904	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.2	-177.9	-70.1	-32.7	0	0	0	114.2	K292	D290-K292 PolarHBondContact O-N 3.16Å
291	D	83.1	Confident	81.9	Confident	82 Å²	82	69.7 Å²	69.7	44%	0.439	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.5	174.3	70.7	4.5	0	0	0	113.7	N289 K293 T294	N289-D291 PolarHBondContact O-N 3.04Å; D291-K293 PolarHBondContact O-N 2.75Å; D291-K293 VanDerWaalsContact O-N 3.15Å; D291-K293 PolarHBondContact OD1-N 2.69Å; D291-T294 PolarHBondContact OD1-N 3.35Å; D291-T294 PolarHBondContact OD1-OG1 3.02Å; D291-T294 VanDerWaalsContact OD1-OG1 3.09Å; D291-T294 WeakPolarHBondContact OD2-CB 3.44Å; D291-T294 VanDerWaalsContact OD2-CG2 3.25Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.47Å; D291-T294 PolarHBondContact OD2-OG1 2.73Å
292	K	82.3	Confident	81.5	Confident	156 Å²	156	70 Å²	70	68%	0.678	37%	0.374	S	S	*	.	S	Bend	trans	56	22	-177.8	-56.7	-176.4	178.7	-176.9	0	114	C280 L288 N289 D290	C280-K292 WeakPolarHBondContact CB-O 3.07Å; L288-K292 HydrophobicContact CD2-CB 4.38Å; N289-K292 PolarHBondContact O-N 3.29Å; D290-K292 PolarHBondContact O-N 3.16Å
293	K	82.5	Confident	81.2	Confident	82 Å²	82	73.7 Å²	73.7	36%	0.357	39%	0.39	S	S	.	.	S	Bend	trans	-133.3	-33	-176.1	-68.8	-176.6	178.7	-169.1	0	113.1	D266 Q268 D291	D266-K293 HydrophobicContact CB-CD 3.97Å; D266-K293 IonicContact OD2-NZ 3.68Å; D266-K293 PolarHBondContact OD2-NZ 3.1Å; Q268-K293 WeakPolarHBondContact CB-O 3.26Å; Q268-K293 PolarHBondContact N-O 3.27Å; D291-K293 PolarHBondContact O-N 2.75Å; D291-K293 VanDerWaalsContact O-N 3.15Å; D291-K293 PolarHBondContact OD1-N 2.69Å
294	T	84.8	Confident	80.8	Confident	46 Å²	46	72.3 Å²	72.3	28%	0.282	40%	0.395	S	S	.	.			trans	-109	155.8	-175.7	62.5	0	0	0	0	112.9	N289 D291	N289-T294 WeakPolarHBondContact CB-O 3.44Å; N289-T294 PolarHBondContact N-O 3.28Å; N289-T294 PolarHBondContact ND2-O 3.46Å; N289-T294 PolarHBondContact ND2-OG1 3.2Å; D291-T294 PolarHBondContact OD1-N 3.35Å; D291-T294 PolarHBondContact OD1-OG1 3.02Å; D291-T294 VanDerWaalsContact OD1-OG1 3.09Å; D291-T294 WeakPolarHBondContact OD2-CB 3.44Å; D291-T294 VanDerWaalsContact OD2-CG2 3.25Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.47Å; D291-T294 PolarHBondContact OD2-OG1 2.73Å
295	C	87.7	Confident	80.8	Confident	10 Å²	10	69.4 Å²	69.4	7%	0.068	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.4	-171.6	-60.8	0	0	0	0	111.8	Q269 C282 Y286 H287	Q269-C295 HydrophobicContact CG-CB 4.22Å; C282-C295 WeakPolarHBondContact CA-SG 3.45Å; C282-C295 HydrophobicContact CB-CB 3.77Å; C282-C295 WeakPolarHBondContact CB-SG 3.35Å; C282-C295 VanDerWaalsContact SG-CA 3.58Å; C282-C295 WeakPolarHBondContact SG-CB 3.47Å; C282-C295 CovalentContact SG-SG 2.02Å; C282-C295 PolarHBondContact SG-SG 3.43Å; Y286-C295 HydrophobicContact CD1-CB 4.48Å; H287-C295 WeakPolarHBondContact O-CA 3.03Å
296	S	81.5	Confident	81.2	Confident	37 Å²	37	72 Å²	72	26%	0.259	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.5	178.7	-61.9	0	0	0	0	112.2	Y286 H287 N289	Y286-S296 CarbonylContact C-O 3.57Å; Y286-S296 WeakPolarHBondContact CA-O 3.47Å; Y286-S296 WeakPolarHBondContact CB-O 3.48Å; Y286-S296 VanDerWaalsContact CD1-C 3.47Å; H287-S296 PolarHBondContact N-O 3.14Å; H287-S296 PolarHBondContact ND1-O 3.47Å; H287-S296 PolarHBondContact O-N 2.93Å; N289-S296 VanDerWaalsContact CG-OG 3.29Å; N289-S296 PolarHBondContact ND2-OG 3.32Å; N289-S296 WeakPolarHBondContact OD1-CB 3.42Å; N289-S296 PolarHBondContact OD1-OG 3.41Å
297	P	77.9	Confident	81.1	Confident	72 Å²	72	72.1 Å²	72.1	47%	0.468	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.2	-178.6	26.6	-32.8	0	0	0	111.8	Y286 P317	Y286-P297 HydrophobicContact CD1-CB 4.03Å; Y286-P297 HydrophobicContact CE1-CB 3.71Å; Y286-P297 HydrophobicContact CE1-CG 4.28Å; P297-P317 HydrophobicContact CB-CB 3.66Å; P297-P317 HydrophobicContact CB-CG 3.7Å
298	I	79.4	Confident	81.2	Confident	39 Å²	39	68.8 Å²	68.8	20%	0.2	38%	0.38	C	S	.	.			trans	-94	126.1	178.5	-59.6	169.8	0	0	0	109.2	G285 H287 L300 P317 G318	G285-I298 WeakPolarHBondContact O-CB 3.34Å; G285-I298 PolarHBondContact O-N 2.96Å; H287-I298 HydrophobicContact CB-CD1 4.13Å; H287-I298 HydrophobicContact CB-CG1 4.17Å; I298-L300 HydrophobicContact CG2-CD2 3.69Å; I298-L300 HydrophobicContact CG2-CG 4.11Å; I298-P317 CarbonylContact O-C 3.52Å; I298-P317 WeakPolarHBondContact O-CA 3.39Å; I298-G318 PolarHBondContact O-N 3.12Å
299	D	80.9	Confident	81.1	Confident	54 Å²	54	71.3 Å²	71.3	29%	0.289	39%	0.39	S	S	.	.			trans	-109.6	97.8	174	-176.6	-16.3	0	0	0	110.2	C301 A302 E303 Y314	D299-C301 VanDerWaalsContact C-N 3.34Å; D299-C301 PolarHBondContact O-N 3.46Å; D299-C301 PolarHBondContact OD1-N 3.05Å; D299-C301 VanDerWaalsContact OD1-N 3.12Å; D299-A302 HydrophobicContact CB-CB 4.08Å; D299-A302 PolarHBondContact O-N 2.08Å; D299-A302 PolarHBondContact OD1-N 3.03Å; D299-A302 WeakPolarHBondContact OD2-CB 3.18Å; D299-E303 WeakPolarHBondContact O-CB 3.49Å; D299-E303 WeakPolarHBondContact O-CG 3.39Å; D299-E303 PolarHBondContact O-N 3.42Å; D299-Y314 HydrophobicContact CB-CD2 4.27Å; D299-Y314 HydrophobicContact CB-CE2 4.01Å; D299-Y314 VanDerWaalsContact OD1-CD2 3.29Å; D299-Y314 WeakPolarHBondContact OD1-CD2 3.45Å
300	L	79.1	Confident	81.2	Confident	37 Å²	37	72.5 Å²	72.5	19%	0.194	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.2	-174.5	-64	174.6	0	0	0	113.6	I298 G304 K305 G318 F320	I298-L300 HydrophobicContact CG2-CD2 3.69Å; I298-L300 HydrophobicContact CG2-CG 4.11Å; L300-G304 PolarHBondContact O-N 3.01Å; L300-K305 HydrophobicContact CD2-CB 4.2Å; L300-K305 PolarHBondContact O-N 3.27Å; L300-G318 VanDerWaalsContact CD1-O 3.31Å; L300-G318 WeakPolarHBondContact CD1-O 3.39Å; L300-F320 HydrophobicContact CB-CD1 3.91Å; L300-F320 HydrophobicContact CB-CE1 4.43Å; L300-F320 HydrophobicContact CD1-CD1 3.86Å; L300-F320 HydrophobicContact CD1-CE1 4.06Å
301	C	80.8	Confident	81.2	Confident	28 Å²	28	67 Å²	67	19%	0.189	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-43.4	175.2	-69.6	0	0	0	0	110.5	D299 E303 G304 C312 V313	D299-C301 VanDerWaalsContact C-N 3.34Å; D299-C301 PolarHBondContact O-N 3.46Å; D299-C301 PolarHBondContact OD1-N 3.05Å; D299-C301 VanDerWaalsContact OD1-N 3.12Å; C301-E303 VanDerWaalsContact C-N 3.35Å; C301-G304 PolarHBondContact O-N 2.97Å; C301-C312 HydrophobicContact CB-CB 4.13Å; C301-C312 WeakPolarHBondContact CB-SG 3.01Å; C301-C312 WeakPolarHBondContact SG-CB 3.44Å; C301-C312 CovalentContact SG-SG 2.07Å; C301-C312 PolarHBondContact SG-SG 2.8Å; C301-V313 VanDerWaalsContact SG-C 3.56Å
302	A	78.6	Confident	81.3	Confident	81 Å²	81	64.5 Å²	64.5	67%	0.669	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.2	179	0	0	0	0	0	113	D299 G304	D299-A302 HydrophobicContact CB-CB 4.08Å; D299-A302 PolarHBondContact O-N 2.08Å; D299-A302 PolarHBondContact OD1-N 3.03Å; D299-A302 WeakPolarHBondContact OD2-CB 3.18Å; A302-G304 VanDerWaalsContact C-N 3.27Å; A302-G304 PolarHBondContact O-N 3.49Å
303	E	78.3	Confident	81.5	Confident	89 Å²	89	59.9 Å²	59.9	42%	0.416	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.5	175	-72	-176.5	-144.5	0	0	113.9	D299 C301 K305	D299-E303 WeakPolarHBondContact O-CB 3.49Å; D299-E303 WeakPolarHBondContact O-CG 3.39Å; D299-E303 PolarHBondContact O-N 3.42Å; C301-E303 VanDerWaalsContact C-N 3.35Å; E303-K305 HydrophobicContact CB-CD 4.47Å; E303-K305 HydrophobicContact CB-CG 4.35Å; E303-K305 PolarHBondContact O-N 2.7Å; E303-K305 IonicContact OE2-NZ 3.58Å; E303-K305 PolarHBondContact OE2-NZ 3.46Å
304	G	71.9	Confident	81.5	Confident	52 Å²	52	60.8 Å²	60.8	54%	0.536	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	18.3	-177.2	0	0	0	0	0	114.1	L300 C301 A302 H306	L300-G304 PolarHBondContact O-N 3.01Å; C301-G304 PolarHBondContact O-N 2.97Å; A302-G304 VanDerWaalsContact C-N 3.27Å; A302-G304 PolarHBondContact O-N 3.49Å; G304-H306 VanDerWaalsContact C-N 3.34Å; G304-H306 PolarHBondContact O-N 2.79Å
305	K	77.8	Confident	81.1	Confident	138 Å²	138	64.8 Å²	64.8	60%	0.6	36%	0.359	S	S	*	.			trans	-98	55.7	179.5	-67.8	179.8	-172.5	151	0	110.7	L300 E303	L300-K305 HydrophobicContact CD2-CB 4.2Å; L300-K305 PolarHBondContact O-N 3.27Å; E303-K305 HydrophobicContact CB-CD 4.47Å; E303-K305 HydrophobicContact CB-CG 4.35Å; E303-K305 PolarHBondContact O-N 2.7Å; E303-K305 IonicContact OE2-NZ 3.58Å; E303-K305 PolarHBondContact OE2-NZ 3.46Å
306	H	80.9	Confident	80.6	Confident	69 Å²	69	65 Å²	65	32%	0.319	36%	0.362	S	S	.	.			trans	-133.5	157.3	177.3	62	83	0	0	0	109.7	G304 C312 F320	G304-H306 VanDerWaalsContact C-N 3.34Å; G304-H306 PolarHBondContact O-N 2.79Å; H306-C312 VanDerWaalsContact CD2-SG 3.54Å; H306-F320 HydrophobicContact CB-CD1 4.35Å; H306-F320 HydrophobicContact CB-CD2 3.91Å; H306-F320 HydrophobicContact CB-CE1 4.04Å; H306-F320 HydrophobicContact CB-CE2 3.59Å; H306-F320 HydrophobicContact CB-CG 4.29Å; H306-F320 HydrophobicContact CB-CZ 3.66Å
307	D	82.4	Confident	80.2	Confident	87 Å²	87	65 Å²	65	47%	0.465	36%	0.362	S	S	.	.			trans	-112.5	17.5	-175.6	56	-4.7	0	0	0	113.4	Q309 F320 K335	D307-Q309 PolarHBondContact O-N 2.94Å; D307-F320 WeakPolarHBondContact OD1-CZ 3.31Å; D307-K335 WeakPolarHBondContact OD1-CD 2.96Å; D307-K335 WeakPolarHBondContact OD1-CE 3.31Å; D307-K335 IonicContact OD1-NZ 3.17Å; D307-K335 PolarHBondContact OD1-NZ 2.89Å; D307-K335 WeakPolarHBondContact OD2-CD 3.41Å; D307-K335 VanDerWaalsContact OD2-CE 3.26Å; D307-K335 WeakPolarHBondContact OD2-CE 3.39Å; D307-K335 IonicContact OD2-NZ 3.23Å; D307-K335 PolarHBondContact OD2-NZ 3.43Å
308	C	83.6	Confident	79.9	Confident	17 Å²	17	62.8 Å²	62.8	12%	0.115	35%	0.352	C	S	.	.			trans	-60.6	127.5	171.8	-55.9	0	0	0	0	111.9	Q310 V311 C312 F320 C322	C308-Q310 PolarHBondContact O-N 3.32Å; C308-V311 WeakPolarHBondContact CB-O 3.43Å; C308-C312 HydrophobicContact CB-CB 4.34Å; C308-F320 VanDerWaalsContact SG-CE2 3.56Å; C308-C322 WeakPolarHBondContact CA-SG 3.49Å; C308-C322 HydrophobicContact CB-CB 3.56Å; C308-C322 WeakPolarHBondContact CB-SG 3.22Å; C308-C322 WeakPolarHBondContact SG-CA 3.08Å; C308-C322 WeakPolarHBondContact SG-CB 3.4Å; C308-C322 CovalentContact SG-SG 2.03Å; C308-C322 PolarHBondContact SG-SG 3.47Å
309	Q	83.1	Confident	79.9	Confident	113 Å²	113	65 Å²	65	53%	0.528	37%	0.367	S	S	.	.	S	Bend	trans	-68.1	-34.6	179.5	-175.7	-176.5	-9.8	0	0	112.7	D307 K335	D307-Q309 PolarHBondContact O-N 2.94Å; Q309-K335 WeakPolarHBondContact CB-O 3.39Å; Q309-K335 PolarHBondContact N-O 3.02Å
310	Q	83.9	Confident	80	Confident	64 Å²	64	64.9 Å²	64.9	30%	0.299	36%	0.364	S	S	.	.	S	Bend	trans	-123.5	-67.7	-175.3	-63.7	-173.8	-3.3	0	0	112.4	C308 N325 C337	C308-Q310 PolarHBondContact O-N 3.32Å; Q310-N325 PolarHBondContact OE1-ND2 3.22Å; Q310-C337 HydrophobicContact CG-CB 4.24Å; Q310-C337 PolarHBondContact OE1-SG 3.29Å
311	V	83.8	Confident	80.4	Confident	53 Å²	53	65.7 Å²	65.7	32%	0.321	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.5	-173.9	-175.3	0	0	0	0	110.9	C308 V313 C322 D323	C308-V311 WeakPolarHBondContact CB-O 3.43Å; V311-V313 HydrophobicContact CG1-CG2 4.43Å; V311-C322 CarbonylContact O-C 3.45Å; V311-C322 WeakPolarHBondContact O-CA 3.47Å; V311-D323 HydrophobicContact CB-CB 4.1Å; V311-D323 WeakPolarHBondContact CB-O 3.34Å; V311-D323 HydrophobicContact CG1-CB 4.37Å; V311-D323 PolarHBondContact N-O 3.18Å; V311-D323 VanDerWaalsContact N-O 3.09Å; V311-D323 PolarHBondContact O-N 3.23Å
312	C	86.4	Confident	80.6	Confident	31 Å²	31	64.7 Å²	64.7	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.2	173.7	-170.1	0	0	0	0	110.5	C301 H306 C308	C301-C312 HydrophobicContact CB-CB 4.13Å; C301-C312 WeakPolarHBondContact CB-SG 3.01Å; C301-C312 WeakPolarHBondContact SG-CB 3.44Å; C301-C312 CovalentContact SG-SG 2.07Å; C301-C312 PolarHBondContact SG-SG 2.8Å; H306-C312 VanDerWaalsContact CD2-SG 3.54Å; C308-C312 HydrophobicContact CB-CB 4.34Å
313	V	85.4	Confident	80.9	Confident	58 Å²	58	65 Å²	65	35%	0.352	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.2	179.7	-175.7	0	0	0	0	110	C301 V311 M315 F320 T321	C301-V313 VanDerWaalsContact SG-C 3.56Å; V311-V313 HydrophobicContact CG1-CG2 4.43Å; V313-M315 HydrophobicContact CG1-SD 4.36Å; V313-F320 CarbonylContact O-C 3.57Å; V313-F320 VanDerWaalsContact O-CA 3.3Å; V313-F320 WeakPolarHBondContact O-CA 3.37Å; V313-T321 HydrophobicContact CB-CG2 3.88Å; V313-T321 HydrophobicContact CG1-CG2 4.43Å; V313-T321 PolarHBondContact N-O 3.37Å; V313-T321 PolarHBondContact O-N 3.19Å
314	Y	83.1	Confident	81.2	Confident	102 Å²	102	61.9 Å²	61.9	40%	0.4	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.7	179.1	174.1	-100.7	0	0	0	111.4	D299 G316 P317	D299-Y314 HydrophobicContact CB-CD2 4.27Å; D299-Y314 HydrophobicContact CB-CE2 4.01Å; D299-Y314 VanDerWaalsContact OD1-CD2 3.29Å; D299-Y314 WeakPolarHBondContact OD1-CD2 3.45Å; Y314-G316 WeakPolarHBondContact CE2-O 3.5Å; Y314-G316 VanDerWaalsContact OH-C 3.23Å; Y314-P317 WeakPolarHBondContact OH-CD 3.41Å
315	M	77.6	Confident	81.5	Confident	129 Å²	129	63.8 Å²	63.8	64%	0.635	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	-10.3	-176.6	-64.1	-65.5	-72.7	0	0	113.3	V313 V319 T321	V313-M315 HydrophobicContact CG1-SD 4.36Å; M315-V319 HydrophobicContact CB-CG1 4.25Å; M315-V319 PolarHBondContact N-O 3.32Å; M315-T321 HydrophobicContact CG-CG2 3.87Å; M315-T321 HydrophobicContact SD-CG2 4.17Å
316	G	75.8	Confident	81.2	Confident	14 Å²	14	66.6 Å²	66.6	14%	0.144	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	176.1	178.6	0	0	0	0	0	112.4	Y314 G318 V319	Y314-G316 WeakPolarHBondContact CE2-O 3.5Å; Y314-G316 VanDerWaalsContact OH-C 3.23Å; G316-G318 PolarHBondContact O-N 3.13Å; G316-G318 VanDerWaalsContact O-N 3.09Å; G316-V319 PolarHBondContact N-O 3.21Å; G316-V319 PolarHBondContact O-N 3.38Å; G316-V319 VanDerWaalsContact O-O 3.07Å
317	P	73.4	Confident	80.6	Confident	39 Å²	39	65.1 Å²	65.1	25%	0.253	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	115.9	-177.9	-25.3	35.3	0	0	0	111.8	G285 Y286 P297 I298 Y314 V319	G285-P317 WeakPolarHBondContact CA-O 3.43Å; G285-P317 CarbonylContact O-C 3.51Å; G285-P317 WeakPolarHBondContact O-CB 3.09Å; Y286-P317 HydrophobicContact CD2-CB 4.34Å; Y286-P317 HydrophobicContact CE2-CB 3.84Å; Y286-P317 HydrophobicContact CE2-CG 4.13Å; P297-P317 HydrophobicContact CB-CB 3.66Å; P297-P317 HydrophobicContact CB-CG 3.7Å; I298-P317 CarbonylContact O-C 3.52Å; I298-P317 WeakPolarHBondContact O-CA 3.39Å; Y314-P317 WeakPolarHBondContact OH-CD 3.41Å; P317-V319 VanDerWaalsContact C-N 3.31Å; P317-V319 PolarHBondContact O-N 3.03Å
318	G	72.7	Confident	80.4	Confident	25 Å²	25	65.2 Å²	65.2	26%	0.258	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	8	-177.3	0	0	0	0	0	115.7	I298 L300 G316	I298-G318 PolarHBondContact O-N 3.12Å; L300-G318 VanDerWaalsContact CD1-O 3.31Å; L300-G318 WeakPolarHBondContact CD1-O 3.39Å; G316-G318 PolarHBondContact O-N 3.13Å; G316-G318 VanDerWaalsContact O-N 3.09Å
319	V	78.6	Confident	80.2	Confident	84 Å²	84	70.3 Å²	70.3	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.7	-174.6	-172.4	0	0	0	0	111.3	M315 G316 P317	M315-V319 HydrophobicContact CB-CG1 4.25Å; M315-V319 PolarHBondContact N-O 3.32Å; G316-V319 PolarHBondContact N-O 3.21Å; G316-V319 PolarHBondContact O-N 3.38Å; G316-V319 VanDerWaalsContact O-O 3.07Å; P317-V319 VanDerWaalsContact C-N 3.31Å; P317-V319 PolarHBondContact O-N 3.03Å
320	F	83.6	Confident	80.1	Confident	52 Å²	52	67.7 Å²	67.7	23%	0.228	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.4	176.2	71.6	-85.5	0	0	0	110.8	L300 H306 D307 C308 V313	L300-F320 HydrophobicContact CB-CD1 3.91Å; L300-F320 HydrophobicContact CB-CE1 4.43Å; L300-F320 HydrophobicContact CD1-CD1 3.86Å; L300-F320 HydrophobicContact CD1-CE1 4.06Å; H306-F320 HydrophobicContact CB-CD1 4.35Å; H306-F320 HydrophobicContact CB-CD2 3.91Å; H306-F320 HydrophobicContact CB-CE1 4.04Å; H306-F320 HydrophobicContact CB-CE2 3.59Å; H306-F320 HydrophobicContact CB-CG 4.29Å; H306-F320 HydrophobicContact CB-CZ 3.66Å; D307-F320 WeakPolarHBondContact OD1-CZ 3.31Å; C308-F320 VanDerWaalsContact SG-CE2 3.56Å; V313-F320 CarbonylContact O-C 3.57Å; V313-F320 VanDerWaalsContact O-CA 3.3Å; V313-F320 WeakPolarHBondContact O-CA 3.37Å
321	T	86	Confident	79.8	Confident	55 Å²	55	66.9 Å²	66.9	34%	0.337	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.3	170	-169.2	0	0	0	0	110.4	V313 M315	V313-T321 HydrophobicContact CB-CG2 3.88Å; V313-T321 HydrophobicContact CG1-CG2 4.43Å; V313-T321 PolarHBondContact N-O 3.37Å; V313-T321 PolarHBondContact O-N 3.19Å; M315-T321 HydrophobicContact CG-CG2 3.87Å; M315-T321 HydrophobicContact SD-CG2 4.17Å
322	C	86.4	Confident	79.6	Confident	6 Å²	6	71.3 Å²	71.3	4%	0.041	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	157.5	178.7	-50.8	0	0	0	0	112.6	C308 V311 L330 E334	C308-C322 WeakPolarHBondContact CA-SG 3.49Å; C308-C322 HydrophobicContact CB-CB 3.56Å; C308-C322 WeakPolarHBondContact CB-SG 3.22Å; C308-C322 WeakPolarHBondContact SG-CA 3.08Å; C308-C322 WeakPolarHBondContact SG-CB 3.4Å; C308-C322 CovalentContact SG-SG 2.03Å; C308-C322 PolarHBondContact SG-SG 3.47Å; V311-C322 CarbonylContact O-C 3.45Å; V311-C322 WeakPolarHBondContact O-CA 3.47Å; C322-L330 HydrophobicContact CB-CD1 4.15Å; C322-L330 VanDerWaalsContact O-CD2 3.29Å; C322-L330 WeakPolarHBondContact O-CD2 3.44Å; C322-E334 VanDerWaalsContact CB-O 3.26Å; C322-E334 WeakPolarHBondContact CB-O 3.44Å
323	D	84.5	Confident	79.3	Confident	89 Å²	89	73.6 Å²	73.6	48%	0.476	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.2	176.9	-159.4	6.4	0	0	0	111.9	V311	V311-D323 HydrophobicContact CB-CB 4.1Å; V311-D323 WeakPolarHBondContact CB-O 3.34Å; V311-D323 HydrophobicContact CG1-CB 4.37Å; V311-D323 PolarHBondContact N-O 3.18Å; V311-D323 VanDerWaalsContact N-O 3.09Å; V311-D323 PolarHBondContact O-N 3.23Å
324	C	84.5	Confident	79	Confident	22 Å²	22	77.3 Å²	77.3	15%	0.149	41%	0.407	C	S	.	.			trans	-123.8	152.5	-172.2	-61.1	0	0	0	0	114.4	L330 C337	C324-L330 WeakPolarHBondContact SG-CA 3.42Å; C324-L330 WeakPolarHBondContact SG-CD1 3.31Å; C324-L330 PolarHBondContact SG-N 3.41Å; C324-L330 VanDerWaalsContact SG-N 3.39Å; C324-C337 VanDerWaalsContact CA-SG 3.52Å; C324-C337 HydrophobicContact CB-CB 3.84Å; C324-C337 WeakPolarHBondContact CB-SG 3.02Å; C324-C337 VanDerWaalsContact SG-CA 3.55Å; C324-C337 WeakPolarHBondContact SG-CB 2.95Å; C324-C337 CovalentContact SG-SG 2.02Å; C324-C337 PolarHBondContact SG-SG 2.99Å
325	N	78.7	Confident	78.8	Confident	93 Å²	93	76.3 Å²	76.3	50%	0.497	41%	0.405	S	S	.	.			trans	-76.2	159.9	175.3	-62.1	-46.1	0	0	0	112.4	Q310 Y328	Q310-N325 PolarHBondContact OE1-ND2 3.22Å; N325-Y328 WeakPolarHBondContact O-CB 3.26Å; N325-Y328 PolarHBondContact O-N 3.24Å
326	E	71.3	Confident	79	Confident	196 Å²	196	72.3 Å²	72.3	92%	0.916	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	139	-177.4	-71.5	-170.6	157.5	0	0	114.1	Y328	E326-Y328 VanDerWaalsContact C-N 3.31Å
327	G	67.9	Low	79.4	Confident	38 Å²	38	72 Å²	72	39%	0.392	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-1.9	-176	0	0	0	0	0	114.7	I340	G327-I340 PolarHBondContact O-N 3.43Å
328	Y	78.1	Confident	79.6	Confident	89 Å²	89	71.3 Å²	71.3	35%	0.349	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.7	176.4	-64.2	-104.7	0	0	0	110	N325 E326 A338 P339	N325-Y328 WeakPolarHBondContact O-CB 3.26Å; N325-Y328 PolarHBondContact O-N 3.24Å; E326-Y328 VanDerWaalsContact C-N 3.31Å; Y328-A338 CarbonylContact C-O 3.58Å; Y328-A338 VanDerWaalsContact CA-O 3.23Å; Y328-A338 WeakPolarHBondContact CA-O 3.45Å; Y328-P339 HydrophobicContact CD1-CB 3.99Å; Y328-P339 VanDerWaalsContact CD1-N 3.35Å; Y328-P339 HydrophobicContact CE1-CB 3.6Å; Y328-P339 HydrophobicContact CE1-CG 4.21Å
329	R	78.9	Confident	79.5	Confident	124 Å²	124	73.6 Å²	73.6	47%	0.468	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.5	173.4	61.6	-175.6	174.9	105.1	-6.5	110.9	N331 C337 A338 I340 E345	R329-N331 PolarHBondContact O-N 2.65Å; R329-C337 WeakPolarHBondContact O-CA 3.35Å; R329-A338 PolarHBondContact N-O 3.03Å; R329-A338 PolarHBondContact O-N 3.34Å; R329-I340 HydrophobicContact CB-CD1 4.28Å; R329-I340 HydrophobicContact CB-CG1 4.3Å; R329-I340 HydrophobicContact CG-CG1 4.06Å; R329-E345 IonicContact CZ-OE1 3.45Å; R329-E345 IonicContact NE-OE1 2.78Å; R329-E345 PolarHBondContact NE-OE1 2.87Å; R329-E345 IonicContact NH2-OE1 2.63Å; R329-E345 PolarHBondContact NH2-OE1 3.08Å
330	L	81.6	Confident	79.3	Confident	59 Å²	59	71.6 Å²	71.6	31%	0.309	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.2	173.9	-166.4	70.9	0	0	0	108.5	C322 C324 E334	C322-L330 HydrophobicContact CB-CD1 4.15Å; C322-L330 VanDerWaalsContact O-CD2 3.29Å; C322-L330 WeakPolarHBondContact O-CD2 3.44Å; C324-L330 WeakPolarHBondContact SG-CA 3.42Å; C324-L330 WeakPolarHBondContact SG-CD1 3.31Å; C324-L330 PolarHBondContact SG-N 3.41Å; C324-L330 VanDerWaalsContact SG-N 3.39Å; L330-E334 HydrophobicContact CD2-CB 4.49Å
331	N	77.4	Confident	78.8	Confident	47 Å²	47	71.8 Å²	71.8	25%	0.251	38%	0.381	S	S	.	.			trans	-72.3	168.7	-179.5	-73.5	-34.2	0	0	0	111	R329 D333 E334 T336 A338	R329-N331 PolarHBondContact O-N 2.65Å; N331-D333 WeakPolarHBondContact CB-OD1 3.48Å; N331-D333 PolarHBondContact O-N 3.46Å; N331-D333 VanDerWaalsContact O-N 3.12Å; N331-E334 WeakPolarHBondContact O-CA 3.35Å; N331-E334 PolarHBondContact O-N 2.89Å; N331-T336 WeakPolarHBondContact CB-O 3.35Å; N331-T336 PolarHBondContact N-O 2.96Å; N331-T336 PolarHBondContact ND2-O 3.43Å; N331-T336 PolarHBondContact ND2-OG1 3.44Å; N331-A338 WeakPolarHBondContact OD1-CB 3.01Å
332	V	80.8	Confident	78.2	Confident	146 Å²	146	71.1 Å²	71.1	89%	0.885	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	177.9	-176.9	0	0	0	0	112.3	E334	V332-E334 PolarHBondContact O-N 3.34Å
333	D	79.7	Confident	77.5	Confident	79 Å²	79	71.8 Å²	71.8	42%	0.422	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.5	172.8	68.7	3.4	0	0	0	113.6	N331 K335 T336	N331-D333 WeakPolarHBondContact CB-OD1 3.48Å; N331-D333 PolarHBondContact O-N 3.46Å; N331-D333 VanDerWaalsContact O-N 3.12Å; D333-K335 WeakPolarHBondContact O-CG 3.01Å; D333-K335 PolarHBondContact O-N 3.03Å; D333-K335 PolarHBondContact OD1-N 2.95Å; D333-T336 VanDerWaalsContact CG-OG1 3.23Å; D333-T336 PolarHBondContact OD1-N 3.25Å; D333-T336 PolarHBondContact OD1-OG1 3.04Å; D333-T336 VanDerWaalsContact OD1-OG1 3.12Å; D333-T336 WeakPolarHBondContact OD2-CB 2.91Å; D333-T336 VanDerWaalsContact OD2-CG2 3.28Å; D333-T336 WeakPolarHBondContact OD2-CG2 2.9Å; D333-T336 PolarHBondContact OD2-OG1 3.12Å
334	E	78.4	Confident	76.8	Confident	135 Å²	135	71.4 Å²	71.4	63%	0.631	39%	0.389	S	S	*	.	S	Bend	trans	56.3	18.3	179.7	-60.3	-179.2	175.1	0	0	113.8	C322 L330 N331 V332	C322-E334 VanDerWaalsContact CB-O 3.26Å; C322-E334 WeakPolarHBondContact CB-O 3.44Å; L330-E334 HydrophobicContact CD2-CB 4.49Å; N331-E334 WeakPolarHBondContact O-CA 3.35Å; N331-E334 PolarHBondContact O-N 2.89Å; V332-E334 PolarHBondContact O-N 3.34Å
335	K	79.9	Confident	76.2	Confident	81 Å²	81	73.2 Å²	73.2	35%	0.352	40%	0.395	S	S	.	.	S	Bend	trans	-135.6	-35.5	-171	-71.6	170.3	177.1	-170.6	0	114	D307 Q309 D333	D307-K335 WeakPolarHBondContact OD1-CD 2.96Å; D307-K335 WeakPolarHBondContact OD1-CE 3.31Å; D307-K335 IonicContact OD1-NZ 3.17Å; D307-K335 PolarHBondContact OD1-NZ 2.89Å; D307-K335 WeakPolarHBondContact OD2-CD 3.41Å; D307-K335 VanDerWaalsContact OD2-CE 3.26Å; D307-K335 WeakPolarHBondContact OD2-CE 3.39Å; D307-K335 IonicContact OD2-NZ 3.23Å; D307-K335 PolarHBondContact OD2-NZ 3.43Å; Q309-K335 WeakPolarHBondContact CB-O 3.39Å; Q309-K335 PolarHBondContact N-O 3.02Å; D333-K335 WeakPolarHBondContact O-CG 3.01Å; D333-K335 PolarHBondContact O-N 3.03Å; D333-K335 PolarHBondContact OD1-N 2.95Å
336	T	80.4	Confident	75.6	Confident	46 Å²	46	71.1 Å²	71.1	28%	0.282	40%	0.396	S	S	.	.			trans	-105.7	153.9	-178.3	66.5	0	0	0	0	111.9	N331 D333	N331-T336 WeakPolarHBondContact CB-O 3.35Å; N331-T336 PolarHBondContact N-O 2.96Å; N331-T336 PolarHBondContact ND2-O 3.43Å; N331-T336 PolarHBondContact ND2-OG1 3.44Å; D333-T336 VanDerWaalsContact CG-OG1 3.23Å; D333-T336 PolarHBondContact OD1-N 3.25Å; D333-T336 PolarHBondContact OD1-OG1 3.04Å; D333-T336 VanDerWaalsContact OD1-OG1 3.12Å; D333-T336 WeakPolarHBondContact OD2-CB 2.91Å; D333-T336 VanDerWaalsContact OD2-CG2 3.28Å; D333-T336 WeakPolarHBondContact OD2-CG2 2.9Å; D333-T336 PolarHBondContact OD2-OG1 3.12Å
337	C	84.5	Confident	75.6	Confident	8 Å²	8	68.6 Å²	68.6	5%	0.054	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.7	-176.5	-59.5	0	0	0	0	109.9	Q310 C324 R329	Q310-C337 HydrophobicContact CG-CB 4.24Å; Q310-C337 PolarHBondContact OE1-SG 3.29Å; C324-C337 VanDerWaalsContact CA-SG 3.52Å; C324-C337 HydrophobicContact CB-CB 3.84Å; C324-C337 WeakPolarHBondContact CB-SG 3.02Å; C324-C337 VanDerWaalsContact SG-CA 3.55Å; C324-C337 WeakPolarHBondContact SG-CB 2.95Å; C324-C337 CovalentContact SG-SG 2.02Å; C324-C337 PolarHBondContact SG-SG 2.99Å; R329-C337 WeakPolarHBondContact O-CA 3.35Å
338	A	77.8	Confident	76	Confident	24 Å²	24	69.5 Å²	69.5	20%	0.198	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.2	175.3	0	0	0	0	0	111.7	Y328 R329 N331	Y328-A338 CarbonylContact C-O 3.58Å; Y328-A338 VanDerWaalsContact CA-O 3.23Å; Y328-A338 WeakPolarHBondContact CA-O 3.45Å; R329-A338 PolarHBondContact N-O 3.03Å; R329-A338 PolarHBondContact O-N 3.34Å; N331-A338 WeakPolarHBondContact OD1-CB 3.01Å
339	P	69.5	Low	76.1	Confident	72 Å²	72	69.6 Å²	69.6	47%	0.468	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.1	170.2	26.2	-31.2	0	0	0	110	Y328 D341 P359	Y328-P339 HydrophobicContact CD1-CB 3.99Å; Y328-P339 VanDerWaalsContact CD1-N 3.35Å; Y328-P339 HydrophobicContact CE1-CB 3.6Å; Y328-P339 HydrophobicContact CE1-CG 4.21Å; P339-D341 PolarHBondContact O-N 3.09Å; P339-P359 HydrophobicContact CB-CB 4.08Å; P339-P359 HydrophobicContact CB-CG 4.28Å
340	I	74.9	Confident	76	Confident	42 Å²	42	64.4 Å²	64.4	22%	0.215	36%	0.364	C	S	.	.			trans	-82.6	113.2	178.5	-61	172	0	0	0	108.8	G327 R329 L342 P359 G360	G327-I340 PolarHBondContact O-N 3.43Å; R329-I340 HydrophobicContact CB-CD1 4.28Å; R329-I340 HydrophobicContact CB-CG1 4.3Å; R329-I340 HydrophobicContact CG-CG1 4.06Å; I340-L342 HydrophobicContact CG2-CD2 4.01Å; I340-P359 CarbonylContact O-C 3.54Å; I340-G360 PolarHBondContact O-N 3.26Å
341	D	73.1	Confident	75.7	Confident	57 Å²	57	66.6 Å²	66.6	31%	0.305	37%	0.373	S	S	.	.			trans	-100.1	103.4	174	-175.6	-2.9	0	0	0	110.2	P339 C343 A344 E345 S356	P339-D341 PolarHBondContact O-N 3.09Å; D341-C343 VanDerWaalsContact C-N 3.25Å; D341-C343 PolarHBondContact O-N 3.33Å; D341-C343 PolarHBondContact OD1-N 2.87Å; D341-C343 VanDerWaalsContact OD1-N 3.15Å; D341-A344 HydrophobicContact CB-CB 3.96Å; D341-A344 PolarHBondContact O-N 2.84Å; D341-E345 WeakPolarHBondContact O-CB 3.31Å; D341-E345 WeakPolarHBondContact O-CG 3.42Å; D341-E345 PolarHBondContact O-N 3.34Å; D341-S356 WeakPolarHBondContact OD1-CB 3.42Å; D341-S356 PolarHBondContact OD1-OG 2.84Å
342	L	73.1	Confident	75.6	Confident	40 Å²	40	66.7 Å²	66.7	21%	0.209	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.9	-175.4	-64.3	177.9	0	0	0	113.4	I340 G346 K347 H348 G360 F362	I340-L342 HydrophobicContact CG2-CD2 4.01Å; L342-G346 PolarHBondContact O-N 3.12Å; L342-K347 HydrophobicContact CD2-CB 4.12Å; L342-K347 PolarHBondContact O-N 3.38Å; L342-H348 PolarHBondContact O-CD2 3.17Å; L342-G360 VanDerWaalsContact CD1-C 3.42Å; L342-G360 WeakPolarHBondContact CD1-O 3.37Å; L342-F362 HydrophobicContact CB-CD1 4.17Å; L342-F362 HydrophobicContact CD1-CD1 4.41Å
343	C	72.6	Confident	75.6	Confident	20 Å²	20	61.7 Å²	61.7	14%	0.135	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-46.4	172.8	-73.1	0	0	0	0	111.1	D341 E345 G346 H348 C354 V355 S356 F362	D341-C343 VanDerWaalsContact C-N 3.25Å; D341-C343 PolarHBondContact O-N 3.33Å; D341-C343 PolarHBondContact OD1-N 2.87Å; D341-C343 VanDerWaalsContact OD1-N 3.15Å; C343-E345 VanDerWaalsContact C-N 3.35Å; C343-G346 PolarHBondContact O-N 3.45Å; C343-H348 PolarHBondContact O-CD2 2.61Å; C343-H348 PolarHBondContact O-NE2 3.23Å; C343-C354 VanDerWaalsContact CA-SG 3.55Å; C343-C354 HydrophobicContact CB-CB 3.84Å; C343-C354 WeakPolarHBondContact CB-SG 3.37Å; C343-C354 WeakPolarHBondContact SG-CB 3.47Å; C343-C354 CovalentContact SG-SG 2.06Å; C343-C354 PolarHBondContact SG-SG 3.04Å; C343-V355 VanDerWaalsContact SG-C 3.53Å; C343-S356 PolarHBondContact SG-N 3.32Å; C343-S356 VanDerWaalsContact SG-N 3.39Å; C343-F362 WeakPolarHBondContact SG-CB 3.48Å
344	A	68.8	Low	75.6	Confident	82 Å²	82	59.2 Å²	59.2	68%	0.678	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.5	179.3	0	0	0	0	0	112.9	D341 G346	D341-A344 HydrophobicContact CB-CB 3.96Å; D341-A344 PolarHBondContact O-N 2.84Å; A344-G346 VanDerWaalsContact C-N 3.26Å; A344-G346 PolarHBondContact O-N 3.1Å
345	E	73.8	Confident	75.7	Confident	59 Å²	59	56.1 Å²	56.1	28%	0.276	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.8	175.6	-67.5	-169.2	-177	0	0	113.4	R329 D341 C343 K347	R329-E345 IonicContact CZ-OE1 3.45Å; R329-E345 IonicContact NE-OE1 2.78Å; R329-E345 PolarHBondContact NE-OE1 2.87Å; R329-E345 IonicContact NH2-OE1 2.63Å; R329-E345 PolarHBondContact NH2-OE1 3.08Å; D341-E345 WeakPolarHBondContact O-CB 3.31Å; D341-E345 WeakPolarHBondContact O-CG 3.42Å; D341-E345 PolarHBondContact O-N 3.34Å; C343-E345 VanDerWaalsContact C-N 3.35Å; E345-K347 PolarHBondContact O-N 3.18Å; E345-K347 IonicContact OE2-NZ 3.97Å
346	G	64.4	Low	75.4	Confident	50 Å²	50	54.6 Å²	54.6	52%	0.515	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	17.4	178.1	0	0	0	0	0	114.3	L342 C343 A344 H348	L342-G346 PolarHBondContact O-N 3.12Å; C343-G346 PolarHBondContact O-N 3.45Å; A344-G346 VanDerWaalsContact C-N 3.26Å; A344-G346 PolarHBondContact O-N 3.1Å; G346-H348 VanDerWaalsContact C-N 3.27Å; G346-H348 PolarHBondContact O-N 3.47Å
347	K	73.1	Confident	74.8	Confident	143 Å²	143	55.9 Å²	55.9	62%	0.622	33%	0.331	S	S	*	.			trans	-95.8	52.5	178.7	-69.4	-178	-177.3	163.9	0	110.6	L342 E345	L342-K347 HydrophobicContact CD2-CB 4.12Å; L342-K347 PolarHBondContact O-N 3.38Å; E345-K347 PolarHBondContact O-N 3.18Å; E345-K347 IonicContact OE2-NZ 3.97Å
348	H	76.1	Confident	74.2	Confident	57 Å²	57	56.7 Å²	56.7	26%	0.264	34%	0.341	S	S	.	.	S	Bend	trans	-135.9	163.4	178.4	62.6	85.1	0	0	0	109.8	L342 C343 G346 C354 F362	L342-H348 PolarHBondContact O-CD2 3.17Å; C343-H348 PolarHBondContact O-CD2 2.61Å; C343-H348 PolarHBondContact O-NE2 3.23Å; G346-H348 VanDerWaalsContact C-N 3.27Å; G346-H348 PolarHBondContact O-N 3.47Å; H348-C354 VanDerWaalsContact CD2-SG 3.57Å; H348-F362 VanDerWaalsContact CA-CZ 3.47Å; H348-F362 HydrophobicContact CB-CD1 3.9Å; H348-F362 HydrophobicContact CB-CD2 3.73Å; H348-F362 HydrophobicContact CB-CE1 3.59Å; H348-F362 HydrophobicContact CB-CE2 3.45Å; H348-F362 VanDerWaalsContact CB-CE2 3.45Å; H348-F362 HydrophobicContact CB-CG 3.98Å; H348-F362 HydrophobicContact CB-CZ 3.38Å
349	D	78.4	Confident	73.8	Confident	91 Å²	91	59 Å²	59	49%	0.487	35%	0.353	S	S	.	.			trans	-114.1	20.6	-176.5	62.7	-7.2	0	0	0	114.2	K377	D349-K377 VanDerWaalsContact CG-NZ 3.35Å; D349-K377 WeakPolarHBondContact OD1-CE 3.45Å; D349-K377 IonicContact OD1-NZ 2.96Å; D349-K377 PolarHBondContact OD1-NZ 2.76Å; D349-K377 WeakPolarHBondContact OD2-CE 3.26Å; D349-K377 IonicContact OD2-NZ 3.62Å; D349-K377 PolarHBondContact OD2-NZ 3.35Å
350	C	77.4	Confident	73.8	Confident	14 Å²	14	57 Å²	57	10%	0.095	35%	0.347	C	S	.	.			trans	-72.1	136.6	168.6	-50	0	0	0	0	112.6	C354 C364	C350-C354 HydrophobicContact CB-CB 4.18Å; C350-C364 WeakPolarHBondContact CA-SG 3.48Å; C350-C364 HydrophobicContact CB-CB 3.52Å; C350-C364 WeakPolarHBondContact CB-SG 3.19Å; C350-C364 WeakPolarHBondContact SG-CA 3.41Å; C350-C364 WeakPolarHBondContact SG-CB 3.41Å; C350-C364 CovalentContact SG-SG 2.02Å; C350-C364 PolarHBondContact SG-SG 3Å
351	E	75.6	Confident	73.8	Confident	105 Å²	105	60.1 Å²	60.1	49%	0.491	36%	0.363	S	S	.	.	S	Bend	trans	-75.6	-42.6	179.9	-174.4	-179.4	157.6	0	0	113.8	K377 T378 C379	E351-K377 WeakPolarHBondContact CB-O 3.43Å; E351-K377 PolarHBondContact N-O 3.19Å; E351-T378 HydrophobicContact CB-CG2 4.34Å; E351-T378 VanDerWaalsContact OE2-C 3.24Å; E351-T378 WeakPolarHBondContact OE2-CA 2.9Å; E351-T378 WeakPolarHBondContact OE2-CB 3.45Å; E351-T378 VanDerWaalsContact OE2-CG2 3.24Å; E351-T378 WeakPolarHBondContact OE2-CG2 3.43Å; E351-C379 VanDerWaalsContact CD-N 3.3Å; E351-C379 PolarHBondContact OE2-N 3.16Å
352	Q	75.7	Confident	74.1	Confident	49 Å²	49	60 Å²	60	23%	0.229	36%	0.36	C	S	.	.	S	Bend	trans	-116.9	-63.5	-176.1	-70.2	-172	-1.6	0	0	113.7	C379	Q352-C379 HydrophobicContact CB-CB 4.21Å; Q352-C379 VanDerWaalsContact CD-SG 3.59Å; Q352-C379 HydrophobicContact CG-CB 3.49Å; Q352-C379 VanDerWaalsContact CG-CB 3.49Å
353	V	80.4	Confident	74.3	Confident	41 Å²	41	61.9 Å²	61.9	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.5	-176.1	-173.3	0	0	0	0	109.2	V355 C364 D365 N367	V353-V355 HydrophobicContact CG1-CG2 4.26Å; V353-C364 CarbonylContact O-C 3.59Å; V353-C364 VanDerWaalsContact O-CA 3.22Å; V353-C364 WeakPolarHBondContact O-CA 3.5Å; V353-D365 WeakPolarHBondContact CA-O 3.28Å; V353-D365 HydrophobicContact CB-CB 4.06Å; V353-D365 VanDerWaalsContact CB-O 3.25Å; V353-D365 WeakPolarHBondContact CB-O 3.26Å; V353-D365 HydrophobicContact CG1-CB 4.41Å; V353-D365 PolarHBondContact N-O 3.38Å; V353-D365 PolarHBondContact O-N 3.22Å; V353-N367 WeakPolarHBondContact CG2-OD1 3.42Å
354	C	79.6	Confident	74.8	Confident	27 Å²	27	62.3 Å²	62.3	18%	0.182	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.2	171.5	-175.2	0	0	0	0	109	C343 H348 C350 F362 T363	C343-C354 VanDerWaalsContact CA-SG 3.55Å; C343-C354 HydrophobicContact CB-CB 3.84Å; C343-C354 WeakPolarHBondContact CB-SG 3.37Å; C343-C354 WeakPolarHBondContact SG-CB 3.47Å; C343-C354 CovalentContact SG-SG 2.06Å; C343-C354 PolarHBondContact SG-SG 3.04Å; H348-C354 VanDerWaalsContact CD2-SG 3.57Å; C350-C354 HydrophobicContact CB-CB 4.18Å; C354-F362 VanDerWaalsContact SG-CD2 3.58Å; C354-T363 CarbonylContact C-O 3.56Å; C354-T363 WeakPolarHBondContact CA-O 3.3Å
355	V	79.8	Confident	75.3	Confident	71 Å²	71	62.7 Å²	62.7	43%	0.43	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113	180	-174.6	0	0	0	0	109.3	C343 V353 F362 T363	C343-V355 VanDerWaalsContact SG-C 3.53Å; V353-V355 HydrophobicContact CG1-CG2 4.26Å; V355-F362 WeakPolarHBondContact O-CA 3.47Å; V355-T363 PolarHBondContact N-O 2.6Å; V355-T363 PolarHBondContact O-N 2.76Å; V355-T363 PolarHBondContact O-OG1 2.99Å
356	S	74.6	Confident	75.5	Confident	48 Å²	48	60.9 Å²	60.9	34%	0.336	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134	-178.7	-165.3	0	0	0	0	111	D341 C343	D341-S356 WeakPolarHBondContact OD1-CB 3.42Å; D341-S356 PolarHBondContact OD1-OG 2.84Å; C343-S356 PolarHBondContact SG-N 3.32Å; C343-S356 VanDerWaalsContact SG-N 3.39Å
357	S	68.7	Low	75.8	Confident	73 Å²	73	62.6 Å²	62.6	51%	0.51	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	2.1	-175	-58.2	0	0	0	0	113.5	I361	S357-I361 PolarHBondContact N-O 3.07Å
358	G	70.8	Confident	75.4	Confident	25 Å²	25	65 Å²	65	26%	0.258	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	170.7	176.9	0	0	0	0	0	112.3	G360 I361	G358-G360 PolarHBondContact O-N 2.84Å; G358-I361 PolarHBondContact O-N 3.44Å
359	P	69.5	Low	74.8	Confident	72 Å²	72	63.5 Å²	63.5	47%	0.468	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	109.1	177.1	-19.5	31.2	0	0	0	110.2	P339 I340	P339-P359 HydrophobicContact CB-CB 4.08Å; P339-P359 HydrophobicContact CB-CG 4.28Å; I340-P359 CarbonylContact O-C 3.54Å
360	G	70.3	Confident	74.5	Confident	32 Å²	32	62.9 Å²	62.9	33%	0.33	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	13.7	-176.2	0	0	0	0	0	118.3	I340 L342 G358	I340-G360 PolarHBondContact O-N 3.26Å; L342-G360 VanDerWaalsContact CD1-C 3.42Å; L342-G360 WeakPolarHBondContact CD1-O 3.37Å; G358-G360 PolarHBondContact O-N 2.84Å
361	I	74.4	Confident	74.2	Confident	107 Å²	107	70.5 Å²	70.5	55%	0.549	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.1	-173.3	-50	177.5	0	0	0	113.4	S357 G358	S357-I361 PolarHBondContact N-O 3.07Å; G358-I361 PolarHBondContact O-N 3.44Å
362	F	79.9	Confident	74.3	Confident	55 Å²	55	69 Å²	69	24%	0.241	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	169.5	-176.7	74.5	-90.7	0	0	0	118.6	L342 C343 H348 C354 V355	L342-F362 HydrophobicContact CB-CD1 4.17Å; L342-F362 HydrophobicContact CD1-CD1 4.41Å; C343-F362 WeakPolarHBondContact SG-CB 3.48Å; H348-F362 VanDerWaalsContact CA-CZ 3.47Å; H348-F362 HydrophobicContact CB-CD1 3.9Å; H348-F362 HydrophobicContact CB-CD2 3.73Å; H348-F362 HydrophobicContact CB-CE1 3.59Å; H348-F362 HydrophobicContact CB-CE2 3.45Å; H348-F362 VanDerWaalsContact CB-CE2 3.45Å; H348-F362 HydrophobicContact CB-CG 3.98Å; H348-F362 HydrophobicContact CB-CZ 3.38Å; C354-F362 VanDerWaalsContact SG-CD2 3.58Å; V355-F362 WeakPolarHBondContact O-CA 3.47Å
363	T	77.3	Confident	74.1	Confident	78 Å²	78	69.1 Å²	69.1	48%	0.479	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	167.7	174	55.4	0	0	0	0	113.4	C354 V355	C354-T363 CarbonylContact C-O 3.56Å; C354-T363 WeakPolarHBondContact CA-O 3.3Å; V355-T363 PolarHBondContact N-O 2.6Å; V355-T363 PolarHBondContact O-N 2.76Å; V355-T363 PolarHBondContact O-OG1 2.99Å
364	C	82.6	Confident	73.8	Confident	29 Å²	29	74.3 Å²	74.3	20%	0.196	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.6	-171	-49.4	0	0	0	0	116.9	C350 V353 E376	C350-C364 WeakPolarHBondContact CA-SG 3.48Å; C350-C364 HydrophobicContact CB-CB 3.52Å; C350-C364 WeakPolarHBondContact CB-SG 3.19Å; C350-C364 WeakPolarHBondContact SG-CA 3.41Å; C350-C364 WeakPolarHBondContact SG-CB 3.41Å; C350-C364 CovalentContact SG-SG 2.02Å; C350-C364 PolarHBondContact SG-SG 3Å; V353-C364 CarbonylContact O-C 3.59Å; V353-C364 VanDerWaalsContact O-CA 3.22Å; V353-C364 WeakPolarHBondContact O-CA 3.5Å; C364-E376 WeakPolarHBondContact CB-O 3.49Å
365	D	78.7	Confident	73.6	Confident	90 Å²	90	76.9 Å²	76.9	48%	0.481	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	176	179.1	-158.1	1.1	0	0	0	113.9	V353	V353-D365 WeakPolarHBondContact CA-O 3.28Å; V353-D365 HydrophobicContact CB-CB 4.06Å; V353-D365 VanDerWaalsContact CB-O 3.25Å; V353-D365 WeakPolarHBondContact CB-O 3.26Å; V353-D365 HydrophobicContact CG1-CB 4.41Å; V353-D365 PolarHBondContact N-O 3.38Å; V353-D365 PolarHBondContact O-N 3.22Å
366	C	77.5	Confident	73.3	Confident	22 Å²	22	80.7 Å²	80.7	15%	0.149	44%	0.443	C	S	.	.			trans	-122.7	157.4	179.5	-53.5	0	0	0	0	115.6	L372 C379	C366-L372 WeakPolarHBondContact SG-CA 3.4Å; C366-L372 WeakPolarHBondContact SG-CB 3.37Å; C366-L372 WeakPolarHBondContact SG-CD1 3.37Å; C366-L372 PolarHBondContact SG-N 3.22Å; C366-C379 VanDerWaalsContact CA-SG 3.59Å; C366-C379 HydrophobicContact CB-CB 3.87Å; C366-C379 WeakPolarHBondContact CB-SG 3.42Å; C366-C379 WeakPolarHBondContact SG-CB 3.14Å; C366-C379 CovalentContact SG-SG 2.01Å; C366-C379 PolarHBondContact SG-SG 3.48Å
367	N	71.9	Confident	73.3	Confident	86 Å²	86	82.4 Å²	82.4	46%	0.46	44%	0.444	S	S	.	.			trans	-82.9	158.2	-179.2	-64.9	-47.9	0	0	0	113.6	V353 Y370	V353-N367 WeakPolarHBondContact CG2-OD1 3.42Å; N367-Y370 HydrophobicContact CB-CD2 4.34Å; N367-Y370 WeakPolarHBondContact O-CB 3.49Å; N367-Y370 PolarHBondContact O-N 2.69Å
368	E	63.1	Low	73.5	Confident	192 Å²	192	80.9 Å²	80.9	90%	0.897	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	137.7	176.3	-79	-164.4	153.8	0	0	112.4	Y370	E368-Y370 VanDerWaalsContact C-N 3.26Å
369	G	64.8	Low	73.9	Confident	27 Å²	27	79.8 Å²	79.8	28%	0.278	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	1	-172.6	0	0	0	0	0	114.4	I382 P401	G369-I382 WeakPolarHBondContact O-CG1 3.5Å; G369-I382 PolarHBondContact O-N 3.42Å; G369-P401 WeakPolarHBondContact O-CB 3.4Å
370	Y	71.8	Confident	73.9	Confident	78 Å²	78	78.1 Å²	78.1	31%	0.306	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	164.2	171.7	-62.8	-107.8	0	0	0	110.8	N367 E368 S380 P381 P401	N367-Y370 HydrophobicContact CB-CD2 4.34Å; N367-Y370 WeakPolarHBondContact O-CB 3.49Å; N367-Y370 PolarHBondContact O-N 2.69Å; E368-Y370 VanDerWaalsContact C-N 3.26Å; Y370-S380 CarbonylContact C-O 3.6Å; Y370-S380 WeakPolarHBondContact CA-O 3.44Å; Y370-P381 HydrophobicContact CD1-CB 3.59Å; Y370-P381 HydrophobicContact CD1-CG 3.97Å; Y370-P381 VanDerWaalsContact CE1-CA 3.45Å; Y370-P381 HydrophobicContact CE1-CB 3.17Å; Y370-P381 HydrophobicContact CE1-CG 3.49Å; Y370-P381 VanDerWaalsContact CE1-CG 3.49Å; Y370-P381 HydrophobicContact CG-CB 4.49Å; Y370-P401 HydrophobicContact CD2-CB 4.4Å; Y370-P401 HydrophobicContact CD2-CG 3.83Å; Y370-P401 HydrophobicContact CE2-CB 4.08Å; Y370-P401 HydrophobicContact CE2-CG 3.16Å
371	R	70.2	Confident	73.4	Confident	174 Å²	174	80.5 Å²	80.5	66%	0.657	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	139	178.8	64.3	-179.1	-175.8	178.8	-1.1	112.8	C379 S380	R371-C379 CarbonylContact O-C 3.57Å; R371-C379 VanDerWaalsContact O-CA 3.26Å; R371-C379 WeakPolarHBondContact O-CA 3.41Å; R371-S380 PolarHBondContact N-O 2.71Å; R371-S380 PolarHBondContact O-N 3.34Å
372	L	77.8	Confident	73	Confident	73 Å²	73	78.8 Å²	78.8	38%	0.382	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.5	178.9	-166.9	68.5	0	0	0	111.3	C366 T378	C366-L372 WeakPolarHBondContact SG-CA 3.4Å; C366-L372 WeakPolarHBondContact SG-CB 3.37Å; C366-L372 WeakPolarHBondContact SG-CD1 3.37Å; C366-L372 PolarHBondContact SG-N 3.22Å; L372-T378 WeakPolarHBondContact CD1-O 3.18Å
373	N	71.4	Confident	72.5	Confident	52 Å²	52	78.7 Å²	78.7	28%	0.278	41%	0.413	S	S	.	.			trans	-85.4	167.6	-179.7	-59.6	-28.9	0	0	0	110.4	D375 E376 T378 C379 S380	N373-D375 PolarHBondContact O-N 3.04Å; N373-D375 VanDerWaalsContact O-N 3.15Å; N373-E376 PolarHBondContact O-N 2.88Å; N373-T378 VanDerWaalsContact CB-O 3.24Å; N373-T378 WeakPolarHBondContact CB-O 3.33Å; N373-T378 VanDerWaalsContact CB-OG1 3.24Å; N373-T378 WeakPolarHBondContact CB-OG1 3.39Å; N373-T378 VanDerWaalsContact CG-O 3.3Å; N373-T378 PolarHBondContact N-O 2.89Å; N373-T378 VanDerWaalsContact ND2-C 3.3Å; N373-T378 WeakPolarHBondContact ND2-CB 3.3Å; N373-T378 PolarHBondContact ND2-O 3.21Å; N373-T378 PolarHBondContact ND2-OG1 3.09Å; N373-C379 PolarHBondContact ND2-N 3.28Å; N373-S380 PolarHBondContact OD1-OG 3.37Å
374	V	74.6	Confident	72	Confident	149 Å²	149	77.1 Å²	77.1	90%	0.903	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.3	-169.9	-179	0	0	0	0	113.9	E376	V374-E376 PolarHBondContact O-N 2.66Å
375	D	75.9	Confident	71.2	Confident	81 Å²	81	76.7 Å²	76.7	43%	0.433	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	3.8	178.6	63.6	2.7	0	0	0	114	N373 K377 T378	N373-D375 PolarHBondContact O-N 3.04Å; N373-D375 VanDerWaalsContact O-N 3.15Å; D375-K377 PolarHBondContact O-N 2.86Å; D375-K377 VanDerWaalsContact O-N 3.08Å; D375-K377 PolarHBondContact OD1-N 3.24Å; D375-T378 PolarHBondContact OD1-N 3.22Å; D375-T378 PolarHBondContact OD1-OG1 2.85Å; D375-T378 WeakPolarHBondContact OD2-CB 3.43Å; D375-T378 WeakPolarHBondContact OD2-CG2 3.25Å; D375-T378 PolarHBondContact OD2-OG1 2.81Å
376	E	72.5	Confident	70.6	Confident	152 Å²	152	76 Å²	76	71%	0.71	41%	0.405	S	S	*	.	S	Bend	trans	57.4	18.6	-178.6	-58.9	-177.9	175.1	0	0	113.7	C364 N373 V374	C364-E376 WeakPolarHBondContact CB-O 3.49Å; N373-E376 PolarHBondContact O-N 2.88Å; V374-E376 PolarHBondContact O-N 2.66Å
377	K	74.9	Confident	70.2	Confident	83 Å²	83	79.6 Å²	79.6	36%	0.361	42%	0.42	S	S	.	.	S	Bend	trans	-134.4	-31.3	-177.5	-67.3	-179.4	-177.9	-179.4	0	113.8	D349 E351 D375	D349-K377 VanDerWaalsContact CG-NZ 3.35Å; D349-K377 WeakPolarHBondContact OD1-CE 3.45Å; D349-K377 IonicContact OD1-NZ 2.96Å; D349-K377 PolarHBondContact OD1-NZ 2.76Å; D349-K377 WeakPolarHBondContact OD2-CE 3.26Å; D349-K377 IonicContact OD2-NZ 3.62Å; D349-K377 PolarHBondContact OD2-NZ 3.35Å; E351-K377 WeakPolarHBondContact CB-O 3.43Å; E351-K377 PolarHBondContact N-O 3.19Å; D375-K377 PolarHBondContact O-N 2.86Å; D375-K377 VanDerWaalsContact O-N 3.08Å; D375-K377 PolarHBondContact OD1-N 3.24Å
378	T	74.3	Confident	69.7	Low	41 Å²	41	83.8 Å²	83.8	25%	0.252	44%	0.437	S	S	.	.			trans	-107.1	153.9	-170.5	60.4	0	0	0	0	114.7	E351 L372 N373 D375	E351-T378 HydrophobicContact CB-CG2 4.34Å; E351-T378 VanDerWaalsContact OE2-C 3.24Å; E351-T378 WeakPolarHBondContact OE2-CA 2.9Å; E351-T378 WeakPolarHBondContact OE2-CB 3.45Å; E351-T378 VanDerWaalsContact OE2-CG2 3.24Å; E351-T378 WeakPolarHBondContact OE2-CG2 3.43Å; L372-T378 WeakPolarHBondContact CD1-O 3.18Å; N373-T378 VanDerWaalsContact CB-O 3.24Å; N373-T378 WeakPolarHBondContact CB-O 3.33Å; N373-T378 VanDerWaalsContact CB-OG1 3.24Å; N373-T378 WeakPolarHBondContact CB-OG1 3.39Å; N373-T378 VanDerWaalsContact CG-O 3.3Å; N373-T378 PolarHBondContact N-O 2.89Å; N373-T378 VanDerWaalsContact ND2-C 3.3Å; N373-T378 WeakPolarHBondContact ND2-CB 3.3Å; N373-T378 PolarHBondContact ND2-O 3.21Å; N373-T378 PolarHBondContact ND2-OG1 3.09Å; D375-T378 PolarHBondContact OD1-N 3.22Å; D375-T378 PolarHBondContact OD1-OG1 2.85Å; D375-T378 WeakPolarHBondContact OD2-CB 3.43Å; D375-T378 WeakPolarHBondContact OD2-CG2 3.25Å; D375-T378 PolarHBondContact OD2-OG1 2.81Å
379	C	77.9	Confident	69.9	Low	3 Å²	3	80.9 Å²	80.9	2%	0.02	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137	-170.2	-60.2	0	0	0	0	114.7	E351 Q352 C366 R371 N373	E351-C379 VanDerWaalsContact CD-N 3.3Å; E351-C379 PolarHBondContact OE2-N 3.16Å; Q352-C379 HydrophobicContact CB-CB 4.21Å; Q352-C379 VanDerWaalsContact CD-SG 3.59Å; Q352-C379 HydrophobicContact CG-CB 3.49Å; Q352-C379 VanDerWaalsContact CG-CB 3.49Å; C366-C379 VanDerWaalsContact CA-SG 3.59Å; C366-C379 HydrophobicContact CB-CB 3.87Å; C366-C379 WeakPolarHBondContact CB-SG 3.42Å; C366-C379 WeakPolarHBondContact SG-CB 3.14Å; C366-C379 CovalentContact SG-SG 2.01Å; C366-C379 PolarHBondContact SG-SG 3.48Å; R371-C379 CarbonylContact O-C 3.57Å; R371-C379 VanDerWaalsContact O-CA 3.26Å; R371-C379 WeakPolarHBondContact O-CA 3.41Å; N373-C379 PolarHBondContact ND2-N 3.28Å
380	S	70.2	Confident	70.2	Confident	37 Å²	37	83.2 Å²	83.2	26%	0.259	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.3	-173.1	-52.5	0	0	0	0	115.2	Y370 R371 N373	Y370-S380 CarbonylContact C-O 3.6Å; Y370-S380 WeakPolarHBondContact CA-O 3.44Å; R371-S380 PolarHBondContact N-O 2.71Å; R371-S380 PolarHBondContact O-N 3.34Å; N373-S380 PolarHBondContact OD1-OG 3.37Å
381	P	60.1	Low	70.2	Confident	82 Å²	82	83.6 Å²	83.6	53%	0.532	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	158	177.7	9.4	-11.8	0	0	0	115.8	Y370	Y370-P381 HydrophobicContact CD1-CB 3.59Å; Y370-P381 HydrophobicContact CD1-CG 3.97Å; Y370-P381 VanDerWaalsContact CE1-CA 3.45Å; Y370-P381 HydrophobicContact CE1-CB 3.17Å; Y370-P381 HydrophobicContact CE1-CG 3.49Å; Y370-P381 VanDerWaalsContact CE1-CG 3.49Å; Y370-P381 HydrophobicContact CG-CB 4.49Å
382	I	65.4	Low	70.5	Confident	71 Å²	71	76.6 Å²	76.6	36%	0.364	41%	0.41	S	S	.	.			trans	-117.2	108.9	173.2	-56.7	172.3	0	0	0	110.8	G369 P401 G402	G369-I382 WeakPolarHBondContact O-CG1 3.5Å; G369-I382 PolarHBondContact O-N 3.42Å; I382-P401 CarbonylContact O-C 3.53Å; I382-P401 VanDerWaalsContact O-C 3.31Å; I382-P401 WeakPolarHBondContact O-CA 3.3Å; I382-P401 WeakPolarHBondContact O-CB 3.14Å; I382-G402 PolarHBondContact O-N 3.33Å
383	D	69.4	Low	70.1	Confident	53 Å²	53	78.5 Å²	78.5	28%	0.283	42%	0.417	S	S	.	.			trans	-109.3	112	-174.8	-175.7	-15.2	0	0	0	113.7	C385 A386 E387 Y398	D383-C385 PolarHBondContact OD1-N 3.05Å; D383-A386 HydrophobicContact CB-CB 3.91Å; D383-A386 PolarHBondContact OD1-N 2.89Å; D383-A386 WeakPolarHBondContact OD2-CB 3.45Å; D383-E387 WeakPolarHBondContact O-CB 2.99Å; D383-E387 VanDerWaalsContact O-CG 3.26Å; D383-E387 WeakPolarHBondContact O-CG 3.24Å; D383-E387 PolarHBondContact O-N 2.92Å; D383-E387 VanDerWaalsContact O-N 3.11Å; D383-Y398 HydrophobicContact CB-CD2 4.44Å; D383-Y398 HydrophobicContact CB-CE2 3.99Å; D383-Y398 VanDerWaalsContact OD1-CD2 3.23Å; D383-Y398 WeakPolarHBondContact OD1-CD2 3.38Å
384	L	66.8	Low	70	Confident	44 Å²	44	80.3 Å²	80.3	23%	0.23	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.9	-179.4	-62	-174.9	0	0	0	115	K389 G402	L384-K389 PolarHBondContact O-N 2.92Å; L384-G402 WeakPolarHBondContact CD1-O 3.34Å
385	C	65.6	Low	69.9	Low	20 Å²	20	75.6 Å²	75.6	14%	0.135	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-39.5	171.7	-68.5	0	0	0	0	109.3	D383 E388 H390 C396 Y398	D383-C385 PolarHBondContact OD1-N 3.05Å; C385-E388 PolarHBondContact O-N 2.85Å; C385-E388 VanDerWaalsContact O-N 3.16Å; C385-H390 VanDerWaalsContact CA-CD2 3.46Å; C385-H390 WeakPolarHBondContact CA-CD2 3.26Å; C385-H390 PolarHBondContact O-CD2 3.22Å; C385-H390 PolarHBondContact O-NE2 2.82Å; C385-C396 HydrophobicContact CB-CB 4.5Å; C385-C396 WeakPolarHBondContact CB-SG 3.39Å; C385-C396 WeakPolarHBondContact SG-CB 3.48Å; C385-C396 CovalentContact SG-SG 2.12Å; C385-C396 PolarHBondContact SG-SG 3.12Å; C385-Y398 PolarHBondContact SG-N 3.34Å; C385-Y398 VanDerWaalsContact SG-N 3.42Å
386	A	66.3	Low	69.7	Low	75 Å²	75	73.5 Å²	73.5	62%	0.62	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-24.5	-179.9	0	0	0	0	0	114.6	D383 E388	D383-A386 HydrophobicContact CB-CB 3.91Å; D383-A386 PolarHBondContact OD1-N 2.89Å; D383-A386 WeakPolarHBondContact OD2-CB 3.45Å; A386-E388 PolarHBondContact O-N 3.47Å
387	E	68.5	Low	69.6	Low	98 Å²	98	68.9 Å²	68.9	46%	0.458	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	8.6	168.3	-72.4	-175.9	-155.2	0	0	113.3	D383 K389	D383-E387 WeakPolarHBondContact O-CB 2.99Å; D383-E387 VanDerWaalsContact O-CG 3.26Å; D383-E387 WeakPolarHBondContact O-CG 3.24Å; D383-E387 PolarHBondContact O-N 2.92Å; D383-E387 VanDerWaalsContact O-N 3.11Å; E387-K389 VanDerWaalsContact C-N 3.32Å; E387-K389 HydrophobicContact CB-CD 4.44Å; E387-K389 PolarHBondContact O-N 2.9Å; E387-K389 IonicContact OE2-NZ 2.61Å; E387-K389 PolarHBondContact OE2-NZ 3.44Å
388	E	62.2	Low	69.4	Low	174 Å²	174	68.8 Å²	68.8	81%	0.813	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	32.1	179.9	-64.9	-166.6	168.2	0	0	115.6	C385 A386	C385-E388 PolarHBondContact O-N 2.85Å; C385-E388 VanDerWaalsContact O-N 3.16Å; A386-E388 PolarHBondContact O-N 3.47Å
389	K	67.6	Low	68.8	Low	132 Å²	132	69.5 Å²	69.5	57%	0.574	37%	0.372	S	S	*	.			trans	-105.1	55.8	-178.8	-67.7	169.9	-169.1	155.3	0	111.6	L384 E387 F404	L384-K389 PolarHBondContact O-N 2.92Å; E387-K389 VanDerWaalsContact C-N 3.32Å; E387-K389 HydrophobicContact CB-CD 4.44Å; E387-K389 PolarHBondContact O-N 2.9Å; E387-K389 IonicContact OE2-NZ 2.61Å; E387-K389 PolarHBondContact OE2-NZ 3.44Å; K389-F404 VanDerWaalsContact O-CE1 3.27Å; K389-F404 WeakPolarHBondContact O-CE1 3.29Å
390	H	71.2	Confident	68.1	Low	75 Å²	75	70.2 Å²	70.2	35%	0.347	38%	0.381	S	S	.	.			trans	-150.5	171.2	-178.7	71.6	86	0	0	0	115.5	C385 C396 F404	C385-H390 VanDerWaalsContact CA-CD2 3.46Å; C385-H390 WeakPolarHBondContact CA-CD2 3.26Å; C385-H390 PolarHBondContact O-CD2 3.22Å; C385-H390 PolarHBondContact O-NE2 2.82Å; H390-C396 VanDerWaalsContact CB-SG 3.55Å; H390-C396 VanDerWaalsContact CD2-SG 3.56Å; H390-C396 VanDerWaalsContact CE1-CB 3.42Å; H390-C396 WeakPolarHBondContact CE1-CB 3.34Å; H390-C396 VanDerWaalsContact CE1-SG 3.57Å; H390-C396 WeakPolarHBondContact ND1-CB 3.16Å; H390-C396 PolarHBondContact ND1-SG 3.04Å; H390-F404 HydrophobicContact CB-CD1 3.99Å; H390-F404 HydrophobicContact CB-CD2 3.59Å; H390-F404 HydrophobicContact CB-CE1 3.93Å; H390-F404 HydrophobicContact CB-CE2 3.54Å; H390-F404 HydrophobicContact CB-CG 3.83Å; H390-F404 HydrophobicContact CB-CZ 3.72Å
391	D	70.6	Confident	67.9	Low	87 Å²	87	70.2 Å²	70.2	47%	0.465	38%	0.38	S	S	.	.			trans	-146.8	41.1	-165.8	63.8	0.9	0	0	0	119.3	K419	D391-K419 WeakPolarHBondContact O-CD 3.14Å; D391-K419 VanDerWaalsContact O-CE 3.3Å; D391-K419 WeakPolarHBondContact O-CE 3.47Å; D391-K419 WeakPolarHBondContact OD1-CE 3.15Å; D391-K419 IonicContact OD1-NZ 3.43Å; D391-K419 VanDerWaalsContact OD2-CE 3.26Å; D391-K419 WeakPolarHBondContact OD2-CE 3.39Å; D391-K419 IonicContact OD2-NZ 2.73Å; D391-K419 PolarHBondContact OD2-NZ 3.32Å
392	C	76.3	Confident	68.1	Low	27 Å²	27	67.9 Å²	67.9	18%	0.182	37%	0.371	C	S	.	.			trans	-97.7	148.7	-175.5	-50.4	0	0	0	0	116.4	V395 C396 C406	C392-V395 VanDerWaalsContact CB-O 3.25Å; C392-V395 WeakPolarHBondContact CB-O 3.13Å; C392-C396 HydrophobicContact CB-CB 4.47Å; C392-C406 WeakPolarHBondContact CA-SG 3.48Å; C392-C406 HydrophobicContact CB-CB 3.56Å; C392-C406 WeakPolarHBondContact CB-SG 3.31Å; C392-C406 WeakPolarHBondContact SG-CA 3.35Å; C392-C406 WeakPolarHBondContact SG-CB 3.49Å; C392-C406 CovalentContact SG-SG 2.02Å; C392-C406 PolarHBondContact SG-SG 3.27Å
393	Q	71	Confident	68.1	Low	113 Å²	113	68.5 Å²	68.5	53%	0.528	38%	0.377	S	S	.	.	S	Bend	trans	-78.5	-50.5	-179.2	-168.6	-159.4	16.8	0	0	114.4	K419 T420	Q393-K419 WeakPolarHBondContact CB-O 3.17Å; Q393-K419 PolarHBondContact N-O 2.8Å; Q393-K419 VanDerWaalsContact N-O 3.1Å; Q393-T420 HydrophobicContact CB-CG2 3.77Å; Q393-T420 VanDerWaalsContact CD-CG2 3.46Å; Q393-T420 HydrophobicContact CG-CG2 3.88Å; Q393-T420 VanDerWaalsContact OE1-CG2 3.27Å
394	Q	68.9	Low	68.3	Low	89 Å²	89	68.8 Å²	68.8	42%	0.416	38%	0.376	S	S	.	.	S	Bend	trans	-105.2	-48.2	-175.6	-68.3	-169.5	-8.7	0	0	110.8	C421	Q394-C421 PolarHBondContact OE1-SG 2.94Å; Q394-C421 VanDerWaalsContact OE1-SG 3.36Å
395	V	72.9	Confident	68.6	Low	51 Å²	51	70.3 Å²	70.3	31%	0.309	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	114.3	-174.7	-165.2	0	0	0	0	109.8	C392 V397 C406 D407	C392-V395 VanDerWaalsContact CB-O 3.25Å; C392-V395 WeakPolarHBondContact CB-O 3.13Å; V395-V397 HydrophobicContact CB-CG2 4.18Å; V395-V397 HydrophobicContact CG1-CG2 3.35Å; V395-C406 WeakPolarHBondContact O-CA 3.25Å; V395-D407 PolarHBondContact O-N 3Å
396	C	70.6	Confident	69.1	Low	36 Å²	36	70.6 Å²	70.6	24%	0.243	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.4	153.3	-170.1	0	0	0	0	105.2	C385 H390 C392	C385-C396 HydrophobicContact CB-CB 4.5Å; C385-C396 WeakPolarHBondContact CB-SG 3.39Å; C385-C396 WeakPolarHBondContact SG-CB 3.48Å; C385-C396 CovalentContact SG-SG 2.12Å; C385-C396 PolarHBondContact SG-SG 3.12Å; H390-C396 VanDerWaalsContact CB-SG 3.55Å; H390-C396 VanDerWaalsContact CD2-SG 3.56Å; H390-C396 VanDerWaalsContact CE1-CB 3.42Å; H390-C396 WeakPolarHBondContact CE1-CB 3.34Å; H390-C396 VanDerWaalsContact CE1-SG 3.57Å; H390-C396 WeakPolarHBondContact ND1-CB 3.16Å; H390-C396 PolarHBondContact ND1-SG 3.04Å; C392-C396 HydrophobicContact CB-CB 4.47Å
397	V	71.4	Confident	69.4	Low	56 Å²	56	71.6 Å²	71.6	34%	0.339	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.5	171.8	-174.6	0	0	0	0	105.9	V395 S399 F404 T405	V395-V397 HydrophobicContact CB-CG2 4.18Å; V395-V397 HydrophobicContact CG1-CG2 3.35Å; V397-S399 PolarHBondContact O-N 3.47Å; V397-F404 WeakPolarHBondContact O-CA 3.38Å; V397-T405 PolarHBondContact N-O 3.47Å; V397-T405 PolarHBondContact O-N 3.41Å
398	Y	69.4	Low	69.7	Low	81 Å²	81	67.7 Å²	67.7	32%	0.318	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	107.3	161.3	170.2	-102.1	0	0	0	106.3	D383 C385 G400 P401	D383-Y398 HydrophobicContact CB-CD2 4.44Å; D383-Y398 HydrophobicContact CB-CE2 3.99Å; D383-Y398 VanDerWaalsContact OD1-CD2 3.23Å; D383-Y398 WeakPolarHBondContact OD1-CD2 3.38Å; C385-Y398 PolarHBondContact SG-N 3.34Å; C385-Y398 VanDerWaalsContact SG-N 3.42Å; Y398-G400 VanDerWaalsContact C-N 3.31Å; Y398-G400 WeakPolarHBondContact CE2-O 3.49Å; Y398-G400 VanDerWaalsContact OH-C 3.31Å; Y398-P401 WeakPolarHBondContact OH-CA 3.21Å; Y398-P401 WeakPolarHBondContact OH-CB 3.25Å; Y398-P401 VanDerWaalsContact OH-CD 3.31Å; Y398-P401 WeakPolarHBondContact OH-CD 3.48Å; Y398-P401 WeakPolarHBondContact OH-CG 3.47Å
399	S	61.7	Low	70.1	Confident	55 Å²	55	64.1 Å²	64.1	39%	0.385	35%	0.354	S	S	.	.			trans	-98.7	16.1	-175.9	37.7	0	0	0	0	111.7	V397 V403 F404 T405	V397-S399 PolarHBondContact O-N 3.47Å; S399-V403 PolarHBondContact N-O 2.89Å; S399-V403 VanDerWaalsContact OG-C 3.25Å; S399-V403 PolarHBondContact OG-O 2.8Å; S399-F404 VanDerWaalsContact OG-C 3.24Å; S399-F404 WeakPolarHBondContact OG-CA 3.4Å; S399-F404 PolarHBondContact OG-N 3.4Å; S399-T405 PolarHBondContact OG-N 3.02Å
400	G	64.3	Low	69.7	Low	19 Å²	19	68 Å²	68	20%	0.196	37%	0.371	C	S	.	.	S	Bend	trans	128.3	170	174.1	0	0	0	0	0	112.7	Y398 G402 V403	Y398-G400 VanDerWaalsContact C-N 3.31Å; Y398-G400 WeakPolarHBondContact CE2-O 3.49Å; Y398-G400 VanDerWaalsContact OH-C 3.31Å; G400-G402 PolarHBondContact O-N 2.87Å; G400-V403 PolarHBondContact N-O 2.63Å; G400-V403 PolarHBondContact O-N 2.87Å
401	P	65.4	Low	69.4	Low	37 Å²	37	65.2 Å²	65.2	24%	0.24	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	116.9	-173.2	-1.6	9.2	0	0	0	109.4	G369 Y370 I382 Y398	G369-P401 WeakPolarHBondContact O-CB 3.4Å; Y370-P401 HydrophobicContact CD2-CB 4.4Å; Y370-P401 HydrophobicContact CD2-CG 3.83Å; Y370-P401 HydrophobicContact CE2-CB 4.08Å; Y370-P401 HydrophobicContact CE2-CG 3.16Å; I382-P401 CarbonylContact O-C 3.53Å; I382-P401 VanDerWaalsContact O-C 3.31Å; I382-P401 WeakPolarHBondContact O-CA 3.3Å; I382-P401 WeakPolarHBondContact O-CB 3.14Å; Y398-P401 WeakPolarHBondContact OH-CA 3.21Å; Y398-P401 WeakPolarHBondContact OH-CB 3.25Å; Y398-P401 VanDerWaalsContact OH-CD 3.31Å; Y398-P401 WeakPolarHBondContact OH-CD 3.48Å; Y398-P401 WeakPolarHBondContact OH-CG 3.47Å
402	G	63.7	Low	69.5	Low	33 Å²	33	66 Å²	66	34%	0.34	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	8.7	-173.1	0	0	0	0	0	118	I382 L384 G400	I382-G402 PolarHBondContact O-N 3.33Å; L384-G402 WeakPolarHBondContact CD1-O 3.34Å; G400-G402 PolarHBondContact O-N 2.87Å
403	V	66.9	Low	69.2	Low	83 Å²	83	72.4 Å²	72.4	50%	0.503	38%	0.38	S	S	.	.			trans	-147.2	139.8	-178.5	-169.7	0	0	0	0	114	S399 G400	S399-V403 PolarHBondContact N-O 2.89Å; S399-V403 VanDerWaalsContact OG-C 3.25Å; S399-V403 PolarHBondContact OG-O 2.8Å; G400-V403 PolarHBondContact N-O 2.63Å; G400-V403 PolarHBondContact O-N 2.87Å
404	F	72.9	Confident	69.2	Low	60 Å²	60	70.3 Å²	70.3	26%	0.263	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.5	174.4	77.5	-89.4	0	0	0	114.5	K389 H390 V397 S399	K389-F404 VanDerWaalsContact O-CE1 3.27Å; K389-F404 WeakPolarHBondContact O-CE1 3.29Å; H390-F404 HydrophobicContact CB-CD1 3.99Å; H390-F404 HydrophobicContact CB-CD2 3.59Å; H390-F404 HydrophobicContact CB-CE1 3.93Å; H390-F404 HydrophobicContact CB-CE2 3.54Å; H390-F404 HydrophobicContact CB-CG 3.83Å; H390-F404 HydrophobicContact CB-CZ 3.72Å; V397-F404 WeakPolarHBondContact O-CA 3.38Å; S399-F404 VanDerWaalsContact OG-C 3.24Å; S399-F404 WeakPolarHBondContact OG-CA 3.4Å; S399-F404 PolarHBondContact OG-N 3.4Å
405	T	73.3	Confident	69.2	Low	75 Å²	75	68.6 Å²	68.6	46%	0.46	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.3	175.8	48.7	0	0	0	0	112.5	V397 S399	V397-T405 PolarHBondContact N-O 3.47Å; V397-T405 PolarHBondContact O-N 3.41Å; S399-T405 PolarHBondContact OG-N 3.02Å
406	C	75.6	Confident	68.9	Low	26 Å²	26	70.6 Å²	70.6	18%	0.176	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.7	177.6	-51.8	0	0	0	0	111.3	C392 V395	C392-C406 WeakPolarHBondContact CA-SG 3.48Å; C392-C406 HydrophobicContact CB-CB 3.56Å; C392-C406 WeakPolarHBondContact CB-SG 3.31Å; C392-C406 WeakPolarHBondContact SG-CA 3.35Å; C392-C406 WeakPolarHBondContact SG-CB 3.49Å; C392-C406 CovalentContact SG-SG 2.02Å; C392-C406 PolarHBondContact SG-SG 3.27Å; V395-C406 WeakPolarHBondContact O-CA 3.25Å
407	D	73.6	Confident	68.9	Low	96 Å²	96	72.8 Å²	72.8	51%	0.513	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	167.1	-177.6	-157.5	9.6	0	0	0	114.2	V395	V395-D407 PolarHBondContact O-N 3Å
408	C	73.9	Confident	68.8	Low	16 Å²	16	77.9 Å²	77.9	11%	0.108	42%	0.424	C	S	.	.			trans	-117.5	153.4	178.5	-63.8	0	0	0	0	112.9	L414 C421	C408-L414 HydrophobicContact CB-CB 4.5Å; C408-L414 WeakPolarHBondContact SG-CA 3.27Å; C408-L414 WeakPolarHBondContact SG-CB 3.07Å; C408-L414 WeakPolarHBondContact SG-CD1 3.47Å; C408-C421 WeakPolarHBondContact CA-SG 3.35Å; C408-C421 HydrophobicContact CB-CB 3.58Å; C408-C421 WeakPolarHBondContact CB-SG 3.3Å; C408-C421 VanDerWaalsContact SG-CA 3.53Å; C408-C421 WeakPolarHBondContact SG-CB 3.44Å; C408-C421 CovalentContact SG-SG 1.99Å; C408-C421 PolarHBondContact SG-SG 3.31Å
409	N	70.6	Confident	68.9	Low	100 Å²	100	77.5 Å²	77.5	54%	0.535	42%	0.424	S	S	.	.			trans	-69.8	145.5	176	-64.4	-45.8	0	0	0	112.8	Y412	N409-Y412 HydrophobicContact CB-CD2 4.39Å; N409-Y412 WeakPolarHBondContact O-CB 3.29Å; N409-Y412 PolarHBondContact O-N 3.28Å; N409-Y412 VanDerWaalsContact O-N 3.08Å
410	K	60.1	Low	69.4	Low	213 Å²	213	76.2 Å²	76.2	93%	0.926	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	138.9	-178.3	-168.9	178	-179.1	-178.2	0	112.4
411	G	64	Low	70.1	Confident	17 Å²	17	76 Å²	76	18%	0.175	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.4	-172.5	0	0	0	0	0	113.6	P423 I424 P443	G411-P423 CarbonylContact O-C 3.49Å; G411-P423 WeakPolarHBondContact O-CA 3.47Å; G411-I424 PolarHBondContact O-N 3.11Å; G411-P443 WeakPolarHBondContact O-CB 3.11Å
412	Y	72	Confident	70.4	Confident	104 Å²	104	76.5 Å²	76.5	41%	0.408	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.2	169.4	-57.9	-118.2	0	0	0	108.6	N409 T422 P423	N409-Y412 HydrophobicContact CB-CD2 4.39Å; N409-Y412 WeakPolarHBondContact O-CB 3.29Å; N409-Y412 PolarHBondContact O-N 3.28Å; N409-Y412 VanDerWaalsContact O-N 3.08Å; Y412-T422 CarbonylContact C-O 3.59Å; Y412-T422 WeakPolarHBondContact CA-O 3.43Å; Y412-T422 WeakPolarHBondContact CB-O 3.45Å; Y412-T422 VanDerWaalsContact CD1-C 3.41Å; Y412-P423 HydrophobicContact CD1-CB 3.71Å; Y412-P423 VanDerWaalsContact CD1-CD 3.41Å; Y412-P423 HydrophobicContact CD1-CG 3.96Å; Y412-P423 HydrophobicContact CD2-CB 4.43Å; Y412-P423 HydrophobicContact CE1-CB 3.5Å; Y412-P423 VanDerWaalsContact CE1-CD 3.48Å; Y412-P423 HydrophobicContact CE1-CG 3.58Å; Y412-P423 HydrophobicContact CE2-CB 4.25Å; Y412-P423 HydrophobicContact CG-CB 4.13Å
413	R	71.3	Confident	70.5	Confident	161 Å²	161	78.9 Å²	78.9	61%	0.608	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.6	173.6	59.3	-177.5	-170.4	139.7	0.2	110.9	C421 T422 I424	R413-C421 CarbonylContact O-C 3.59Å; R413-C421 WeakPolarHBondContact O-CA 3.42Å; R413-T422 WeakPolarHBondContact CG-OG1 3.4Å; R413-T422 PolarHBondContact N-O 3.38Å; R413-T422 PolarHBondContact O-N 3.5Å; R413-I424 HydrophobicContact CB-CD1 4.2Å; R413-I424 HydrophobicContact CG-CG1 4.48Å
414	L	71.1	Confident	70.6	Confident	68 Å²	68	77.4 Å²	77.4	36%	0.356	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.8	168.4	-170.9	73.3	0	0	0	109	C408 K418 T420	C408-L414 HydrophobicContact CB-CB 4.5Å; C408-L414 WeakPolarHBondContact SG-CA 3.27Å; C408-L414 WeakPolarHBondContact SG-CB 3.07Å; C408-L414 WeakPolarHBondContact SG-CD1 3.47Å; L414-K418 HydrophobicContact CD2-CB 4.39Å; L414-T420 CarbonylContact C-O 3.53Å; L414-T420 WeakPolarHBondContact CA-O 3.16Å; L414-T420 WeakPolarHBondContact CD1-O 3.41Å
415	N	68.3	Low	70.5	Confident	53 Å²	53	77.1 Å²	77.1	28%	0.283	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.7	165.3	177.2	-65.5	-32.3	0	0	0	110.5	D417 K418 T420	N415-D417 PolarHBondContact O-N 3.05Å; N415-K418 PolarHBondContact O-N 3.27Å; N415-K418 VanDerWaalsContact O-N 3.14Å; N415-T420 WeakPolarHBondContact CB-O 3.47Å; N415-T420 VanDerWaalsContact CB-OG1 3.23Å; N415-T420 WeakPolarHBondContact CB-OG1 3.49Å; N415-T420 PolarHBondContact N-O 3.08Å; N415-T420 PolarHBondContact ND2-OG1 2.97Å
416	G	66.5	Low	70.3	Confident	93 Å²	93	75.6 Å²	75.6	96%	0.959	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-3.7	-172.4	0	0	0	0	0	116.7
417	D	70.3	Confident	69.9	Low	82 Å²	82	75.8 Å²	75.8	44%	0.439	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.7	176.9	61.2	12.3	0	0	0	114	N415 K419 T420	N415-D417 PolarHBondContact O-N 3.05Å; D417-K419 PolarHBondContact O-N 3.1Å; D417-K419 PolarHBondContact OD1-N 3.36Å; D417-T420 VanDerWaalsContact CG-OG1 3.28Å; D417-T420 PolarHBondContact OD1-N 3.44Å; D417-T420 PolarHBondContact OD1-OG1 2.94Å; D417-T420 VanDerWaalsContact OD1-OG1 3.04Å; D417-T420 WeakPolarHBondContact OD2-CG2 3.48Å; D417-T420 PolarHBondContact OD2-OG1 3.48Å
418	K	70.1	Confident	69.6	Low	164 Å²	164	74.8 Å²	74.8	71%	0.713	41%	0.406	S	S	*	.	S	Bend	trans	57.5	20.4	-175.1	-61.8	-173.5	178.3	-177.2	0	114.8	L414 N415	L414-K418 HydrophobicContact CD2-CB 4.39Å; N415-K418 PolarHBondContact O-N 3.27Å; N415-K418 VanDerWaalsContact O-N 3.14Å
419	K	71.8	Confident	69.4	Low	73 Å²	73	78.7 Å²	78.7	32%	0.317	42%	0.423	S	S	.	.	S	Bend	trans	-132.7	-23.9	-176.1	-69.6	171.1	174.9	-176.8	0	113.6	D391 Q393 D417	D391-K419 WeakPolarHBondContact O-CD 3.14Å; D391-K419 VanDerWaalsContact O-CE 3.3Å; D391-K419 WeakPolarHBondContact O-CE 3.47Å; D391-K419 WeakPolarHBondContact OD1-CE 3.15Å; D391-K419 IonicContact OD1-NZ 3.43Å; D391-K419 VanDerWaalsContact OD2-CE 3.26Å; D391-K419 WeakPolarHBondContact OD2-CE 3.39Å; D391-K419 IonicContact OD2-NZ 2.73Å; D391-K419 PolarHBondContact OD2-NZ 3.32Å; Q393-K419 WeakPolarHBondContact CB-O 3.17Å; Q393-K419 PolarHBondContact N-O 2.8Å; Q393-K419 VanDerWaalsContact N-O 3.1Å; D417-K419 PolarHBondContact O-N 3.1Å; D417-K419 PolarHBondContact OD1-N 3.36Å
420	T	71.6	Confident	68.8	Low	28 Å²	28	82.2 Å²	82.2	17%	0.172	44%	0.436	C	S	.	.			trans	-121.2	159.8	-171.2	64.8	0	0	0	0	116.4	Q393 L414 N415 D417	Q393-T420 HydrophobicContact CB-CG2 3.77Å; Q393-T420 VanDerWaalsContact CD-CG2 3.46Å; Q393-T420 HydrophobicContact CG-CG2 3.88Å; Q393-T420 VanDerWaalsContact OE1-CG2 3.27Å; L414-T420 CarbonylContact C-O 3.53Å; L414-T420 WeakPolarHBondContact CA-O 3.16Å; L414-T420 WeakPolarHBondContact CD1-O 3.41Å; N415-T420 WeakPolarHBondContact CB-O 3.47Å; N415-T420 VanDerWaalsContact CB-OG1 3.23Å; N415-T420 WeakPolarHBondContact CB-OG1 3.49Å; N415-T420 PolarHBondContact N-O 3.08Å; N415-T420 PolarHBondContact ND2-OG1 2.97Å; D417-T420 VanDerWaalsContact CG-OG1 3.28Å; D417-T420 PolarHBondContact OD1-N 3.44Å; D417-T420 PolarHBondContact OD1-OG1 2.94Å; D417-T420 VanDerWaalsContact OD1-OG1 3.04Å; D417-T420 WeakPolarHBondContact OD2-CG2 3.48Å; D417-T420 PolarHBondContact OD2-OG1 3.48Å
421	C	79.1	Confident	69	Low	14 Å²	14	78.8 Å²	78.8	10%	0.095	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.3	-165.7	-46.5	0	0	0	0	119.2	Q394 C408 R413	Q394-C421 PolarHBondContact OE1-SG 2.94Å; Q394-C421 VanDerWaalsContact OE1-SG 3.36Å; C408-C421 WeakPolarHBondContact CA-SG 3.35Å; C408-C421 HydrophobicContact CB-CB 3.58Å; C408-C421 WeakPolarHBondContact CB-SG 3.3Å; C408-C421 VanDerWaalsContact SG-CA 3.53Å; C408-C421 WeakPolarHBondContact SG-CB 3.44Å; C408-C421 CovalentContact SG-SG 1.99Å; C408-C421 PolarHBondContact SG-SG 3.31Å; R413-C421 CarbonylContact O-C 3.59Å; R413-C421 WeakPolarHBondContact O-CA 3.42Å
422	T	72.5	Confident	69.2	Low	48 Å²	48	80.1 Å²	80.1	29%	0.294	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146	178.5	63.4	0	0	0	0	117.5	Y412 R413	Y412-T422 CarbonylContact C-O 3.59Å; Y412-T422 WeakPolarHBondContact CA-O 3.43Å; Y412-T422 WeakPolarHBondContact CB-O 3.45Å; Y412-T422 VanDerWaalsContact CD1-C 3.41Å; R413-T422 WeakPolarHBondContact CG-OG1 3.4Å; R413-T422 PolarHBondContact N-O 3.38Å; R413-T422 PolarHBondContact O-N 3.5Å
423	P	64.3	Low	69.1	Low	82 Å²	82	79.4 Å²	79.4	53%	0.532	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	156.7	-174.9	26.4	-27.4	0	0	0	117.1	G411 Y412	G411-P423 CarbonylContact O-C 3.49Å; G411-P423 WeakPolarHBondContact O-CA 3.47Å; Y412-P423 HydrophobicContact CD1-CB 3.71Å; Y412-P423 VanDerWaalsContact CD1-CD 3.41Å; Y412-P423 HydrophobicContact CD1-CG 3.96Å; Y412-P423 HydrophobicContact CD2-CB 4.43Å; Y412-P423 HydrophobicContact CE1-CB 3.5Å; Y412-P423 VanDerWaalsContact CE1-CD 3.48Å; Y412-P423 HydrophobicContact CE1-CG 3.58Å; Y412-P423 HydrophobicContact CE2-CB 4.25Å; Y412-P423 HydrophobicContact CG-CB 4.13Å
424	I	69.8	Low	69.3	Low	52 Å²	52	72.8 Å²	72.8	27%	0.267	41%	0.405	S	S	.	.			trans	-121.3	128	-174.7	-54	170.9	0	0	0	112.6	G411 R413 L426 P443 G444	G411-I424 PolarHBondContact O-N 3.11Å; R413-I424 HydrophobicContact CB-CD1 4.2Å; R413-I424 HydrophobicContact CG-CG1 4.48Å; I424-L426 HydrophobicContact CG2-CD2 4.25Å; I424-P443 CarbonylContact O-C 2.86Å; I424-P443 WeakPolarHBondContact O-CA 3.45Å; I424-G444 PolarHBondContact O-N 3.27Å
425	D	71.7	Confident	69.5	Low	54 Å²	54	74.8 Å²	74.8	29%	0.289	41%	0.413	S	S	.	.			trans	-122.7	122.6	176	-176.6	-19.8	0	0	0	111.2	C427 A428 E429 Y440	D425-C427 PolarHBondContact OD1-N 2.91Å; D425-A428 HydrophobicContact CB-CB 4.25Å; D425-A428 PolarHBondContact OD1-N 2.92Å; D425-E429 VanDerWaalsContact O-CG 3.26Å; D425-E429 WeakPolarHBondContact O-CG 3.09Å; D425-Y440 HydrophobicContact CB-CE2 3.99Å; D425-Y440 WeakPolarHBondContact OD1-CD2 3.47Å; D425-Y440 WeakPolarHBondContact OD1-CE2 3.2Å
426	L	67.8	Low	69.8	Low	44 Å²	44	75.5 Å²	75.5	23%	0.23	42%	0.415	C	S	.	.	S	Bend	trans	-93.1	-29.5	-170.2	-65.4	174.7	0	0	0	115.3	I424 K431 G444 F446	I424-L426 HydrophobicContact CG2-CD2 4.25Å; L426-K431 PolarHBondContact O-N 2.9Å; L426-G444 VanDerWaalsContact CD1-C 3.49Å; L426-G444 WeakPolarHBondContact CD1-O 3.3Å; L426-F446 HydrophobicContact CB-CD1 3.96Å; L426-F446 HydrophobicContact CD1-CD1 4Å; L426-F446 HydrophobicContact CD1-CE1 4.37Å
427	C	68	Low	70.1	Confident	29 Å²	29	72.8 Å²	72.8	20%	0.196	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-29.9	174.8	-66.8	0	0	0	0	110.8	D425 C438 V439	D425-C427 PolarHBondContact OD1-N 2.91Å; C427-C438 HydrophobicContact CB-CB 4.17Å; C427-C438 WeakPolarHBondContact CB-SG 2.99Å; C427-C438 WeakPolarHBondContact SG-CB 3.13Å; C427-C438 CovalentContact SG-SG 2.08Å; C427-C438 PolarHBondContact SG-SG 2.76Å; C427-V439 VanDerWaalsContact SG-C 3.56Å
428	A	67.4	Low	70.4	Confident	76 Å²	76	70.7 Å²	70.7	63%	0.628	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.5	177.7	0	0	0	0	0	113.6	D425 E430	D425-A428 HydrophobicContact CB-CB 4.25Å; D425-A428 PolarHBondContact OD1-N 2.92Å; A428-E430 VanDerWaalsContact C-N 3.34Å
429	E	69.6	Low	70.7	Confident	97 Å²	97	66.5 Å²	66.5	45%	0.453	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	4.1	176.2	-75.6	-171.9	-154.5	0	0	113.5	D425 K431	D425-E429 VanDerWaalsContact O-CG 3.26Å; D425-E429 WeakPolarHBondContact O-CG 3.09Å; E429-K431 HydrophobicContact CB-CD 4.48Å; E429-K431 PolarHBondContact O-N 3Å; E429-K431 IonicContact OE2-NZ 3.34Å; E429-K431 PolarHBondContact OE2-NZ 3.13Å
430	E	58.4	Low	70.7	Confident	175 Å²	175	67.7 Å²	67.7	82%	0.818	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	36	-176.4	-62.4	-175	174.6	0	0	113.5	A428	A428-E430 VanDerWaalsContact C-N 3.34Å
431	K	64.2	Low	70.3	Confident	140 Å²	140	72.3 Å²	72.3	61%	0.609	39%	0.387	S	S	*	.			trans	-106.4	14.9	176.8	-71.5	177.2	-169.7	151.3	0	112.4	L426 E429	L426-K431 PolarHBondContact O-N 2.9Å; E429-K431 HydrophobicContact CB-CD 4.48Å; E429-K431 PolarHBondContact O-N 3Å; E429-K431 IonicContact OE2-NZ 3.34Å; E429-K431 PolarHBondContact OE2-NZ 3.13Å
432	D	66.9	Low	69.7	Low	46 Å²	46	72.4 Å²	72.4	25%	0.246	39%	0.39	C	S	.	.			trans	-81.3	152.5	167.5	65.1	101.5	0	0	0	111.2	C438 F446	D432-C438 HydrophobicContact CB-CB 4.2Å; D432-C438 WeakPolarHBondContact CB-SG 3.35Å; D432-C438 WeakPolarHBondContact OD1-CB 3.5Å; D432-F446 HydrophobicContact CB-CD2 3.75Å; D432-F446 HydrophobicContact CB-CE2 3.49Å; D432-F446 VanDerWaalsContact CB-CE2 3.49Å; D432-F446 HydrophobicContact CB-CG 4.38Å; D432-F446 HydrophobicContact CB-CZ 3.91Å
433	D	70.8	Confident	69.2	Low	88 Å²	88	73 Å²	73	47%	0.471	40%	0.395	S	S	.	.			trans	-113.9	32	-177.5	59.9	-2.7	0	0	0	112.8	K461	D433-K461 VanDerWaalsContact OD1-CE 3.31Å; D433-K461 WeakPolarHBondContact OD1-CE 3.3Å; D433-K461 IonicContact OD1-NZ 3.92Å; D433-K461 PolarHBondContact OD1-NZ 3.17Å; D433-K461 WeakPolarHBondContact OD2-CE 3.4Å; D433-K461 IonicContact OD2-NZ 3.81Å; D433-K461 PolarHBondContact OD2-NZ 2.68Å
434	C	74.4	Confident	69.3	Low	22 Å²	22	70.7 Å²	70.7	15%	0.149	39%	0.386	C	S	.	.			trans	-82.6	136.7	-179.8	-55.6	0	0	0	0	112.2	C448	C434-C448 WeakPolarHBondContact CA-SG 2.93Å; C434-C448 HydrophobicContact CB-CB 3.68Å; C434-C448 WeakPolarHBondContact CB-SG 3.36Å; C434-C448 WeakPolarHBondContact SG-CA 3.39Å; C434-C448 WeakPolarHBondContact SG-CB 3.41Å; C434-C448 CovalentContact SG-SG 2.02Å; C434-C448 PolarHBondContact SG-SG 3.46Å
435	Q	75.8	Confident	69.2	Low	111 Å²	111	71.9 Å²	71.9	52%	0.519	40%	0.395	S	S	.	.	S	Bend	trans	-72.3	-33.5	178.3	-173.2	-175.7	-10.6	0	0	113.5	K461	Q435-K461 VanDerWaalsContact CB-O 3.26Å; Q435-K461 WeakPolarHBondContact CB-O 3.31Å; Q435-K461 PolarHBondContact N-O 3.33Å; Q435-K461 VanDerWaalsContact N-O 3.07Å
436	Q	74.9	Confident	69.4	Low	68 Å²	68	72.2 Å²	72.2	32%	0.318	39%	0.394	S	S	.	.	S	Bend	trans	-125.3	-59.8	-174.4	-66.9	-170.8	-2	0	0	113.9	N451 C463	Q436-N451 PolarHBondContact OE1-ND2 2.94Å; Q436-C463 HydrophobicContact CG-CB 4.46Å
437	A	72.8	Confident	69.7	Low	35 Å²	35	72.9 Å²	72.9	29%	0.289	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.3	-177.9	0	0	0	0	0	113.4	C448 D449	A437-C448 CarbonylContact O-C 3.41Å; A437-C448 VanDerWaalsContact O-CA 3.25Å; A437-C448 WeakPolarHBondContact O-CA 3.49Å; A437-D449 HydrophobicContact CB-CB 4.49Å; A437-D449 PolarHBondContact N-O 2.91Å; A437-D449 PolarHBondContact O-N 2.87Å
438	C	76.7	Confident	70.2	Confident	39 Å²	39	72.5 Å²	72.5	26%	0.264	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	173.6	-172.3	0	0	0	0	111	C427 D432 F446 S447	C427-C438 HydrophobicContact CB-CB 4.17Å; C427-C438 WeakPolarHBondContact CB-SG 2.99Å; C427-C438 WeakPolarHBondContact SG-CB 3.13Å; C427-C438 CovalentContact SG-SG 2.08Å; C427-C438 PolarHBondContact SG-SG 2.76Å; D432-C438 HydrophobicContact CB-CB 4.2Å; D432-C438 WeakPolarHBondContact CB-SG 3.35Å; D432-C438 WeakPolarHBondContact OD1-CB 3.5Å; C438-F446 VanDerWaalsContact SG-CD2 3.57Å; C438-S447 CarbonylContact C-O 3.49Å
439	V	76.9	Confident	70.5	Confident	76 Å²	76	73.6 Å²	73.6	46%	0.461	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.7	178.5	-176.1	0	0	0	0	110.6	C427 F446 S447	C427-V439 VanDerWaalsContact SG-C 3.56Å; V439-F446 CarbonylContact O-C 3.53Å; V439-F446 VanDerWaalsContact O-CA 3.26Å; V439-F446 WeakPolarHBondContact O-CA 3.48Å; V439-S447 PolarHBondContact N-O 3.41Å; V439-S447 PolarHBondContact O-N 3.41Å; V439-S447 VanDerWaalsContact O-N 3.07Å
440	Y	71.8	Confident	70.9	Confident	98 Å²	98	70 Å²	70	38%	0.384	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.4	177.6	174.8	-104.5	0	0	0	111.6	D425 G442 P443	D425-Y440 HydrophobicContact CB-CE2 3.99Å; D425-Y440 WeakPolarHBondContact OD1-CD2 3.47Å; D425-Y440 WeakPolarHBondContact OD1-CE2 3.2Å; Y440-G442 VanDerWaalsContact CE2-C 3.4Å; Y440-G442 WeakPolarHBondContact CE2-O 3.2Å; Y440-P443 VanDerWaalsContact OH-CA 3.32Å; Y440-P443 WeakPolarHBondContact OH-CA 3.48Å
441	M	62.8	Low	71.5	Confident	125 Å²	125	66.4 Å²	66.4	62%	0.616	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	9.7	-175.1	-61.6	-144.4	-65.5	0	0	114.4	V445	M441-V445 HydrophobicContact CB-CB 4.49Å; M441-V445 HydrophobicContact CB-CG1 4.2Å; M441-V445 HydrophobicContact CE-CG1 4.5Å; M441-V445 PolarHBondContact N-O 2.74Å
442	G	65.7	Low	71.5	Confident	16 Å²	16	69.2 Å²	69.2	17%	0.165	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.1	172	178.2	0	0	0	0	0	112.3	Y440 G444 V445	Y440-G442 VanDerWaalsContact CE2-C 3.4Å; Y440-G442 WeakPolarHBondContact CE2-O 3.2Å; G442-G444 PolarHBondContact O-N 3.4Å; G442-V445 PolarHBondContact O-N 3.03Å
443	P	63.2	Low	71.4	Confident	59 Å²	59	68.4 Å²	68.4	38%	0.383	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	109.8	-169.3	-15.7	25.7	0	0	0	110.8	G411 I424 Y440	G411-P443 WeakPolarHBondContact O-CB 3.11Å; I424-P443 CarbonylContact O-C 2.86Å; I424-P443 WeakPolarHBondContact O-CA 3.45Å; Y440-P443 VanDerWaalsContact OH-CA 3.32Å; Y440-P443 WeakPolarHBondContact OH-CA 3.48Å
444	G	64.9	Low	71.5	Confident	34 Å²	34	68.7 Å²	68.7	35%	0.351	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	16.4	-175.3	0	0	0	0	0	118.2	I424 L426 G442	I424-G444 PolarHBondContact O-N 3.27Å; L426-G444 VanDerWaalsContact CD1-C 3.49Å; L426-G444 WeakPolarHBondContact CD1-O 3.3Å; G442-G444 PolarHBondContact O-N 3.4Å
445	V	69.4	Low	71.5	Confident	77 Å²	77	74.4 Å²	74.4	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.5	-177.7	-173	0	0	0	0	113.3	M441 G442	M441-V445 HydrophobicContact CB-CB 4.49Å; M441-V445 HydrophobicContact CB-CG1 4.2Å; M441-V445 HydrophobicContact CE-CG1 4.5Å; M441-V445 PolarHBondContact N-O 2.74Å; G442-V445 PolarHBondContact O-N 3.03Å
446	F	74.5	Confident	71.3	Confident	61 Å²	61	72.3 Å²	72.3	27%	0.268	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	167.5	177.6	77	-85.3	0	0	0	114.5	L426 D432 C438 V439	L426-F446 HydrophobicContact CB-CD1 3.96Å; L426-F446 HydrophobicContact CD1-CD1 4Å; L426-F446 HydrophobicContact CD1-CE1 4.37Å; D432-F446 HydrophobicContact CB-CD2 3.75Å; D432-F446 HydrophobicContact CB-CE2 3.49Å; D432-F446 VanDerWaalsContact CB-CE2 3.49Å; D432-F446 HydrophobicContact CB-CG 4.38Å; D432-F446 HydrophobicContact CB-CZ 3.91Å; C438-F446 VanDerWaalsContact SG-CD2 3.57Å; V439-F446 CarbonylContact O-C 3.53Å; V439-F446 VanDerWaalsContact O-CA 3.26Å; V439-F446 WeakPolarHBondContact O-CA 3.48Å
447	S	74.9	Confident	71.1	Confident	59 Å²	59	71.6 Å²	71.6	41%	0.413	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155.7	176.3	-175.3	0	0	0	0	112.8	C438 V439	C438-S447 CarbonylContact C-O 3.49Å; V439-S447 PolarHBondContact N-O 3.41Å; V439-S447 PolarHBondContact O-N 3.41Å; V439-S447 VanDerWaalsContact O-N 3.07Å
448	C	78.7	Confident	70.9	Confident	20 Å²	20	74.1 Å²	74.1	14%	0.135	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.5	-176.1	-54.8	0	0	0	0	114.2	C434 A437	C434-C448 WeakPolarHBondContact CA-SG 2.93Å; C434-C448 HydrophobicContact CB-CB 3.68Å; C434-C448 WeakPolarHBondContact CB-SG 3.36Å; C434-C448 WeakPolarHBondContact SG-CA 3.39Å; C434-C448 WeakPolarHBondContact SG-CB 3.41Å; C434-C448 CovalentContact SG-SG 2.02Å; C434-C448 PolarHBondContact SG-SG 3.46Å; A437-C448 CarbonylContact O-C 3.41Å; A437-C448 VanDerWaalsContact O-CA 3.25Å; A437-C448 WeakPolarHBondContact O-CA 3.49Å
449	D	74.3	Confident	70.7	Confident	99 Å²	99	76.1 Å²	76.1	53%	0.529	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	163	178	-156.5	3.4	0	0	0	113.8	A437	A437-D449 HydrophobicContact CB-CB 4.49Å; A437-D449 PolarHBondContact N-O 2.91Å; A437-D449 PolarHBondContact O-N 2.87Å
450	C	77.1	Confident	70.3	Confident	22 Å²	22	79.7 Å²	79.7	15%	0.149	44%	0.438	C	S	.	.			trans	-113.8	151	-178.6	-62.9	0	0	0	0	113.6	L456 C463	C450-L456 WeakPolarHBondContact SG-CA 3.41Å; C450-L456 VanDerWaalsContact SG-CB 3.52Å; C450-L456 WeakPolarHBondContact SG-CD1 3.27Å; C450-L456 PolarHBondContact SG-N 3.27Å; C450-L456 VanDerWaalsContact SG-N 3.45Å; C450-C463 VanDerWaalsContact CA-SG 3.59Å; C450-C463 HydrophobicContact CB-CB 3.87Å; C450-C463 WeakPolarHBondContact CB-SG 3.35Å; C450-C463 WeakPolarHBondContact SG-CB 3.47Å; C450-C463 CovalentContact SG-SG 2.02Å; C450-C463 PolarHBondContact SG-SG 3.02Å
451	N	71.1	Confident	70.3	Confident	100 Å²	100	79 Å²	79	54%	0.535	44%	0.437	S	S	.	.			trans	-75.7	155	176.6	-63.1	-44	0	0	0	113.1	Q436 Y454	Q436-N451 PolarHBondContact OE1-ND2 2.94Å; N451-Y454 PolarHBondContact O-N 3.39Å
452	E	63.2	Low	70.7	Confident	198 Å²	198	75 Å²	75	93%	0.925	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	138.2	-178.3	-78.2	-170.5	151.5	0	0	113.7	Y454	E452-Y454 VanDerWaalsContact C-N 3.35Å
453	G	65.6	Low	71.4	Confident	29 Å²	29	74.9 Å²	74.9	30%	0.299	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-3	-177.3	0	0	0	0	0	114.9	I466	G453-I466 PolarHBondContact O-N 2.9Å
454	Y	73.8	Confident	71.9	Confident	94 Å²	94	73.6 Å²	73.6	37%	0.369	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.5	175.7	-65.2	-107	0	0	0	109.8	N451 E452 S464 P465 P485	N451-Y454 PolarHBondContact O-N 3.39Å; E452-Y454 VanDerWaalsContact C-N 3.35Å; Y454-S464 CarbonylContact C-O 3.55Å; Y454-S464 WeakPolarHBondContact CA-O 3.37Å; Y454-P465 HydrophobicContact CD1-CB 3.84Å; Y454-P465 HydrophobicContact CD1-CG 4.36Å; Y454-P465 HydrophobicContact CE1-CB 3.46Å; Y454-P465 VanDerWaalsContact CE1-CB 3.46Å; Y454-P465 HydrophobicContact CE1-CG 3.91Å; Y454-P485 HydrophobicContact CE2-CB 4.36Å
455	R	73.8	Confident	72	Confident	143 Å²	143	75.7 Å²	75.7	54%	0.54	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.5	175.8	64.6	179.9	-179	-168	-4.2	111.7	N457 C463 S464 I466	R455-N457 PolarHBondContact O-N 3.07Å; R455-C463 CarbonylContact O-C 3.36Å; R455-C463 VanDerWaalsContact O-CA 3.31Å; R455-C463 WeakPolarHBondContact O-CA 3.22Å; R455-S464 PolarHBondContact N-O 3.21Å; R455-S464 PolarHBondContact O-N 3.36Å; R455-I466 HydrophobicContact CB-CD1 4.39Å
456	L	71.9	Confident	72.1	Confident	67 Å²	67	74.2 Å²	74.2	35%	0.351	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.9	172.7	-166.8	70.2	0	0	0	109	C450 T462	C450-L456 WeakPolarHBondContact SG-CA 3.41Å; C450-L456 VanDerWaalsContact SG-CB 3.52Å; C450-L456 WeakPolarHBondContact SG-CD1 3.27Å; C450-L456 PolarHBondContact SG-N 3.27Å; C450-L456 VanDerWaalsContact SG-N 3.45Å; L456-T462 CarbonylContact C-O 3.54Å; L456-T462 WeakPolarHBondContact CA-O 3.18Å
457	N	70.6	Confident	72.1	Confident	53 Å²	53	73.8 Å²	73.8	28%	0.283	41%	0.405	S	S	.	.			trans	-75.3	162.9	179.5	-61	-34.2	0	0	0	109.6	R455 D459 E460 T462 S464	R455-N457 PolarHBondContact O-N 3.07Å; N457-D459 PolarHBondContact O-N 3.37Å; N457-E460 PolarHBondContact O-N 3.37Å; N457-T462 WeakPolarHBondContact CB-O 2.96Å; N457-T462 WeakPolarHBondContact CB-OG1 3.15Å; N457-T462 PolarHBondContact N-O 2.93Å; N457-T462 PolarHBondContact ND2-O 2.92Å; N457-T462 PolarHBondContact ND2-OG1 3.13Å; N457-S464 WeakPolarHBondContact OD1-CB 3.42Å; N457-S464 PolarHBondContact OD1-OG 3.4Å
458	G	69.3	Low	72	Confident	87 Å²	87	73 Å²	73	90%	0.897	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	3.4	-175.1	0	0	0	0	0	116	E460	G458-E460 VanDerWaalsContact C-N 3.3Å
459	D	70.8	Confident	71.8	Confident	82 Å²	82	73.3 Å²	73.3	44%	0.439	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.3	168.9	63.6	3.8	0	0	0	112.9	N457 K461 T462	N457-D459 PolarHBondContact O-N 3.37Å; D459-K461 PolarHBondContact O-N 3.49Å; D459-K461 VanDerWaalsContact O-N 3.13Å; D459-K461 PolarHBondContact OD1-N 2.72Å; D459-K461 VanDerWaalsContact OD1-N 3.09Å; D459-T462 VanDerWaalsContact CG-OG1 3.25Å; D459-T462 PolarHBondContact OD1-N 2.92Å; D459-T462 PolarHBondContact OD1-OG1 3.41Å; D459-T462 VanDerWaalsContact OD1-OG1 3.04Å; D459-T462 VanDerWaalsContact OD2-CG2 3.32Å; D459-T462 WeakPolarHBondContact OD2-CG2 3.37Å; D459-T462 PolarHBondContact OD2-OG1 2.83Å
460	E	68.9	Low	71.6	Confident	151 Å²	151	72.5 Å²	72.5	71%	0.706	41%	0.406	S	S	*	.	S	Bend	trans	58.7	18.1	-179.6	-59.7	-179	179.2	0	0	114	N457 G458	N457-E460 PolarHBondContact O-N 3.37Å; G458-E460 VanDerWaalsContact C-N 3.3Å
461	K	71.6	Confident	71.4	Confident	82 Å²	82	75.7 Å²	75.7	36%	0.357	42%	0.418	S	S	.	.	S	Bend	trans	-135.4	-27.8	-174.8	-66.8	178.4	-175.7	178.6	0	115.1	D433 Q435 D459	D433-K461 VanDerWaalsContact OD1-CE 3.31Å; D433-K461 WeakPolarHBondContact OD1-CE 3.3Å; D433-K461 IonicContact OD1-NZ 3.92Å; D433-K461 PolarHBondContact OD1-NZ 3.17Å; D433-K461 WeakPolarHBondContact OD2-CE 3.4Å; D433-K461 IonicContact OD2-NZ 3.81Å; D433-K461 PolarHBondContact OD2-NZ 2.68Å; Q435-K461 VanDerWaalsContact CB-O 3.26Å; Q435-K461 WeakPolarHBondContact CB-O 3.31Å; Q435-K461 PolarHBondContact N-O 3.33Å; Q435-K461 VanDerWaalsContact N-O 3.07Å; D459-K461 PolarHBondContact O-N 3.49Å; D459-K461 VanDerWaalsContact O-N 3.13Å; D459-K461 PolarHBondContact OD1-N 2.72Å; D459-K461 VanDerWaalsContact OD1-N 3.09Å
462	T	72.4	Confident	71.1	Confident	43 Å²	43	73.5 Å²	73.5	26%	0.264	42%	0.419	S	S	.	.			trans	-112.9	153.8	-174.9	64.4	0	0	0	0	113.9	L456 N457 D459	L456-T462 CarbonylContact C-O 3.54Å; L456-T462 WeakPolarHBondContact CA-O 3.18Å; N457-T462 WeakPolarHBondContact CB-O 2.96Å; N457-T462 WeakPolarHBondContact CB-OG1 3.15Å; N457-T462 PolarHBondContact N-O 2.93Å; N457-T462 PolarHBondContact ND2-O 2.92Å; N457-T462 PolarHBondContact ND2-OG1 3.13Å; D459-T462 VanDerWaalsContact CG-OG1 3.25Å; D459-T462 PolarHBondContact OD1-N 2.92Å; D459-T462 PolarHBondContact OD1-OG1 3.41Å; D459-T462 VanDerWaalsContact OD1-OG1 3.04Å; D459-T462 VanDerWaalsContact OD2-CG2 3.32Å; D459-T462 WeakPolarHBondContact OD2-CG2 3.37Å; D459-T462 PolarHBondContact OD2-OG1 2.83Å
463	C	79.1	Confident	71.4	Confident	13 Å²	13	71.5 Å²	71.5	9%	0.088	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.3	-173.1	-50.5	0	0	0	0	113.7	Q436 C450 R455	Q436-C463 HydrophobicContact CG-CB 4.46Å; C450-C463 VanDerWaalsContact CA-SG 3.59Å; C450-C463 HydrophobicContact CB-CB 3.87Å; C450-C463 WeakPolarHBondContact CB-SG 3.35Å; C450-C463 WeakPolarHBondContact SG-CB 3.47Å; C450-C463 CovalentContact SG-SG 2.02Å; C450-C463 PolarHBondContact SG-SG 3.02Å; R455-C463 CarbonylContact O-C 3.36Å; R455-C463 VanDerWaalsContact O-CA 3.31Å; R455-C463 WeakPolarHBondContact O-CA 3.22Å
464	S	73.5	Confident	71.7	Confident	31 Å²	31	72.1 Å²	72.1	22%	0.217	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.1	-179.9	55.9	0	0	0	0	114.8	Y454 R455 N457	Y454-S464 CarbonylContact C-O 3.55Å; Y454-S464 WeakPolarHBondContact CA-O 3.37Å; R455-S464 PolarHBondContact N-O 3.21Å; R455-S464 PolarHBondContact O-N 3.36Å; N457-S464 WeakPolarHBondContact OD1-CB 3.42Å; N457-S464 PolarHBondContact OD1-OG 3.4Å
465	P	67.9	Low	71.7	Confident	78 Å²	78	70.5 Å²	70.5	51%	0.506	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.9	-178.6	24.8	-28.9	0	0	0	113.7	Y454 P485	Y454-P465 HydrophobicContact CD1-CB 3.84Å; Y454-P465 HydrophobicContact CD1-CG 4.36Å; Y454-P465 HydrophobicContact CE1-CB 3.46Å; Y454-P465 VanDerWaalsContact CE1-CB 3.46Å; Y454-P465 HydrophobicContact CE1-CG 3.91Å; P465-P485 HydrophobicContact CB-CB 4.07Å; P465-P485 HydrophobicContact CB-CG 4.26Å
466	I	71.1	Confident	72	Confident	47 Å²	47	64.5 Å²	64.5	24%	0.241	39%	0.394	C	S	.	.			trans	-100.7	126.5	-178.1	-56.2	171.8	0	0	0	111	G453 R455 L468 P485 G486	G453-I466 PolarHBondContact O-N 2.9Å; R455-I466 HydrophobicContact CB-CD1 4.39Å; I466-L468 HydrophobicContact CG2-CD2 4.02Å; I466-L468 HydrophobicContact CG2-CG 4.42Å; I466-P485 CarbonylContact O-C 3.59Å; I466-P485 WeakPolarHBondContact O-CA 3.37Å; I466-G486 PolarHBondContact O-N 3.33Å
467	D	74.9	Confident	72.4	Confident	51 Å²	51	66.7 Å²	66.7	27%	0.273	40%	0.403	S	S	.	.			trans	-115.3	107.9	175.5	-178.8	-14.1	0	0	0	111.5	C469 A470 E471 Y482	D467-C469 PolarHBondContact OD1-N 3.34Å; D467-A470 HydrophobicContact CB-CB 4.25Å; D467-A470 PolarHBondContact OD1-N 2.73Å; D467-A470 VanDerWaalsContact OD1-N 3.16Å; D467-E471 WeakPolarHBondContact O-CB 3.28Å; D467-E471 VanDerWaalsContact O-CG 3.31Å; D467-E471 WeakPolarHBondContact O-CG 3.35Å; D467-E471 PolarHBondContact O-N 2.86Å; D467-Y482 HydrophobicContact CB-CD2 4.45Å; D467-Y482 HydrophobicContact CB-CE2 3.96Å; D467-Y482 VanDerWaalsContact OD1-CD2 3.24Å; D467-Y482 WeakPolarHBondContact OD1-CD2 3.42Å
468	L	72.1	Confident	72.9	Confident	43 Å²	43	67 Å²	67	23%	0.225	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-22.6	-173.5	-62.6	173.4	0	0	0	114.5	I466 K473 G486 F488	I466-L468 HydrophobicContact CG2-CD2 4.02Å; I466-L468 HydrophobicContact CG2-CG 4.42Å; L468-K473 PolarHBondContact O-N 3.27Å; L468-G486 WeakPolarHBondContact CD1-O 3.37Å; L468-F488 HydrophobicContact CB-CD1 4.21Å; L468-F488 HydrophobicContact CD1-CD1 4.22Å; L468-F488 HydrophobicContact CD1-CE1 4.39Å
469	C	74.9	Confident	73.4	Confident	27 Å²	27	65.3 Å²	65.3	18%	0.182	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-41.8	174.4	-72.5	0	0	0	0	109.8	D467 E471 G472 C480	D467-C469 PolarHBondContact OD1-N 3.34Å; C469-E471 VanDerWaalsContact C-N 3.35Å; C469-E471 PolarHBondContact O-N 3.4Å; C469-G472 PolarHBondContact O-N 3.29Å; C469-C480 HydrophobicContact CB-CB 4.19Å; C469-C480 WeakPolarHBondContact CB-SG 3.33Å; C469-C480 WeakPolarHBondContact SG-CB 3.47Å; C469-C480 CovalentContact SG-SG 2.08Å; C469-C480 PolarHBondContact SG-SG 3.28Å
470	A	70.6	Confident	73.9	Confident	82 Å²	82	63 Å²	63	68%	0.678	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.4	179.1	0	0	0	0	0	113.3	D467 G472	D467-A470 HydrophobicContact CB-CB 4.25Å; D467-A470 PolarHBondContact OD1-N 2.73Å; D467-A470 VanDerWaalsContact OD1-N 3.16Å; A470-G472 VanDerWaalsContact C-N 3.28Å; A470-G472 PolarHBondContact O-N 2.91Å
471	E	72.8	Confident	74.4	Confident	88 Å²	88	58.6 Å²	58.6	41%	0.411	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.1	176.2	-71.2	-175.3	-160	0	0	113.9	D467 C469 K473	D467-E471 WeakPolarHBondContact O-CB 3.28Å; D467-E471 VanDerWaalsContact O-CG 3.31Å; D467-E471 WeakPolarHBondContact O-CG 3.35Å; D467-E471 PolarHBondContact O-N 2.86Å; C469-E471 VanDerWaalsContact C-N 3.35Å; C469-E471 PolarHBondContact O-N 3.4Å; E471-K473 VanDerWaalsContact C-N 3.28Å; E471-K473 PolarHBondContact O-N 3.37Å
472	G	64	Low	74.7	Confident	54 Å²	54	59.6 Å²	59.6	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	14.7	177	0	0	0	0	0	115.2	C469 A470	C469-G472 PolarHBondContact O-N 3.29Å; A470-G472 VanDerWaalsContact C-N 3.28Å; A470-G472 PolarHBondContact O-N 2.91Å
473	K	69.8	Low	74.6	Confident	157 Å²	157	63.7 Å²	63.7	68%	0.683	37%	0.368	S	S	*	.			trans	-104.7	36.8	-176.7	-65.5	-178.5	-177.4	169.4	0	112.8	L468 E471	L468-K473 PolarHBondContact O-N 3.27Å; E471-K473 VanDerWaalsContact C-N 3.28Å; E471-K473 PolarHBondContact O-N 3.37Å
474	H	72.9	Confident	74.1	Confident	42 Å²	42	63.8 Å²	63.8	19%	0.194	37%	0.371	C	S	.	.	S	Bend	trans	-105.8	-23.2	-172.9	57.3	83	0	0	0	114.4	C476 C480 F488	H474-C476 VanDerWaalsContact C-N 3.33Å; H474-C476 PolarHBondContact ND1-N 3.46Å; H474-C476 PolarHBondContact O-N 2.08Å; H474-C480 WeakPolarHBondContact CB-SG 3.35Å; H474-C480 WeakPolarHBondContact ND1-CB 3.36Å; H474-C480 PolarHBondContact ND1-SG 3.21Å; H474-C480 VanDerWaalsContact ND1-SG 3.42Å; H474-F488 HydrophobicContact CB-CD1 4.31Å; H474-F488 HydrophobicContact CB-CD2 3.8Å; H474-F488 HydrophobicContact CB-CE1 4.2Å; H474-F488 HydrophobicContact CB-CE2 3.69Å; H474-F488 HydrophobicContact CB-CG 4.13Å; H474-F488 HydrophobicContact CB-CZ 3.91Å; H474-F488 WeakPolarHBondContact O-CE2 3.35Å; H474-F488 WeakPolarHBondContact O-CZ 3.33Å
475	G	72.6	Confident	73.7	Confident	60 Å²	60	64.8 Å²	64.8	62%	0.619	38%	0.377	S	S	*	.			trans	65.1	26.6	171.6	0	0	0	0	0	116.2
476	C	80.6	Confident	73.7	Confident	17 Å²	17	62.6 Å²	62.6	12%	0.115	37%	0.368	C	S	.	.			trans	-82	137.8	169	-59.5	0	0	0	0	109.9	H474 V479 C480 C490	H474-C476 VanDerWaalsContact C-N 3.33Å; H474-C476 PolarHBondContact ND1-N 3.46Å; H474-C476 PolarHBondContact O-N 2.08Å; C476-V479 WeakPolarHBondContact CB-O 3.35Å; C476-C480 HydrophobicContact CB-CB 4.4Å; C476-C490 WeakPolarHBondContact CA-SG 3.33Å; C476-C490 HydrophobicContact CB-CB 3.64Å; C476-C490 WeakPolarHBondContact CB-SG 3.3Å; C476-C490 VanDerWaalsContact SG-CA 3.55Å; C476-C490 WeakPolarHBondContact SG-CB 3.18Å; C476-C490 CovalentContact SG-SG 2.03Å; C476-C490 PolarHBondContact SG-SG 2.86Å
477	E	79.9	Confident	73.8	Confident	112 Å²	112	64.4 Å²	64.4	52%	0.523	38%	0.382	S	S	.	.	S	Bend	trans	-68.5	-43.3	-178.6	-172.7	-176.3	171	0	0	112.5	K503 T504 C505	E477-K503 WeakPolarHBondContact CB-O 3.5Å; E477-K503 PolarHBondContact N-O 3.05Å; E477-K503 VanDerWaalsContact N-O 3.14Å; E477-T504 WeakPolarHBondContact OE2-CA 3.33Å; E477-T504 WeakPolarHBondContact OE2-CB 3.21Å; E477-C505 PolarHBondContact OE2-N 3.45Å
478	Q	81.1	Confident	74	Confident	60 Å²	60	64.8 Å²	64.8	28%	0.28	38%	0.381	S	S	.	.	S	Bend	trans	-116.6	-64.4	-175.4	-62.3	-171.3	-0.8	0	0	112.7	N493 C505	Q478-N493 PolarHBondContact OE1-ND2 2.86Å; Q478-C505 VanDerWaalsContact CD-SG 3.56Å; Q478-C505 HydrophobicContact CG-CB 4.28Å
479	V	79.8	Confident	74.4	Confident	52 Å²	52	66 Å²	66	32%	0.315	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.4	-173.8	-173.6	0	0	0	0	111	C476 V481 C490 D491	C476-V479 WeakPolarHBondContact CB-O 3.35Å; V479-V481 HydrophobicContact CG1-CG2 4.42Å; V479-C490 CarbonylContact O-C 3.6Å; V479-C490 WeakPolarHBondContact O-CA 3.39Å; V479-D491 HydrophobicContact CB-CB 4.26Å; V479-D491 WeakPolarHBondContact CB-O 3.47Å; V479-D491 PolarHBondContact N-O 3.37Å; V479-D491 VanDerWaalsContact N-O 3.12Å; V479-D491 PolarHBondContact O-N 2.89Å
480	C	81.3	Confident	74.9	Confident	32 Å²	32	65.3 Å²	65.3	22%	0.216	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.7	171.6	-169.1	0	0	0	0	110.4	C469 H474 C476	C469-C480 HydrophobicContact CB-CB 4.19Å; C469-C480 WeakPolarHBondContact CB-SG 3.33Å; C469-C480 WeakPolarHBondContact SG-CB 3.47Å; C469-C480 CovalentContact SG-SG 2.08Å; C469-C480 PolarHBondContact SG-SG 3.28Å; H474-C480 WeakPolarHBondContact CB-SG 3.35Å; H474-C480 WeakPolarHBondContact ND1-CB 3.36Å; H474-C480 PolarHBondContact ND1-SG 3.21Å; H474-C480 VanDerWaalsContact ND1-SG 3.42Å; C476-C480 HydrophobicContact CB-CB 4.4Å
481	V	79.9	Confident	75.4	Confident	60 Å²	60	65.8 Å²	65.8	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.8	177.8	-175	0	0	0	0	109.6	V479 M483 F488 T489	V479-V481 HydrophobicContact CG1-CG2 4.42Å; V481-M483 HydrophobicContact CG1-SD 4.4Å; V481-F488 WeakPolarHBondContact O-CA 3.17Å; V481-T489 HydrophobicContact CB-CG2 4Å; V481-T489 PolarHBondContact N-O 2.81Å; V481-T489 PolarHBondContact O-N 2.98Å
482	Y	76.7	Confident	75.8	Confident	102 Å²	102	62.7 Å²	62.7	40%	0.4	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.2	179.3	175	-100.9	0	0	0	111.4	D467 G484 P485	D467-Y482 HydrophobicContact CB-CD2 4.45Å; D467-Y482 HydrophobicContact CB-CE2 3.96Å; D467-Y482 VanDerWaalsContact OD1-CD2 3.24Å; D467-Y482 WeakPolarHBondContact OD1-CD2 3.42Å; Y482-G484 VanDerWaalsContact CE2-C 3.47Å; Y482-G484 WeakPolarHBondContact CE2-O 3.35Å; Y482-G484 PolarHBondContact OH-O 3.36Å; Y482-P485 VanDerWaalsContact OH-N 3.09Å
483	M	70.3	Confident	76.5	Confident	130 Å²	130	64.5 Å²	64.5	64%	0.64	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	-5.5	-174.1	-64.7	-69	-72.8	0	0	113.7	V481 V487 T489	V481-M483 HydrophobicContact CG1-SD 4.4Å; M483-V487 HydrophobicContact CB-CG1 4.23Å; M483-V487 PolarHBondContact N-O 3.14Å; M483-T489 HydrophobicContact CG-CG2 4.21Å
484	G	70.1	Confident	76.6	Confident	15 Å²	15	66.6 Å²	66.6	16%	0.155	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.4	174.4	178.3	0	0	0	0	0	112.5	Y482 G486 V487	Y482-G484 VanDerWaalsContact CE2-C 3.47Å; Y482-G484 WeakPolarHBondContact CE2-O 3.35Å; Y482-G484 PolarHBondContact OH-O 3.36Å; G484-G486 PolarHBondContact O-N 2.83Å; G484-V487 PolarHBondContact N-O 2.66Å; G484-V487 PolarHBondContact O-N 3.36Å
485	P	64.6	Low	76.4	Confident	51 Å²	51	65.9 Å²	65.9	33%	0.331	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	115.5	-178.5	-22.3	32.6	0	0	0	110.7	Y454 P465 I466 Y482	Y454-P485 HydrophobicContact CE2-CB 4.36Å; P465-P485 HydrophobicContact CB-CB 4.07Å; P465-P485 HydrophobicContact CB-CG 4.26Å; I466-P485 CarbonylContact O-C 3.59Å; I466-P485 WeakPolarHBondContact O-CA 3.37Å; Y482-P485 VanDerWaalsContact OH-N 3.09Å
486	G	67.5	Low	76.6	Confident	32 Å²	32	67.4 Å²	67.4	33%	0.33	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	5.5	-177	0	0	0	0	0	117.4	I466 L468 G484	I466-G486 PolarHBondContact O-N 3.33Å; L468-G486 WeakPolarHBondContact CD1-O 3.37Å; G484-G486 PolarHBondContact O-N 2.83Å
487	V	73.4	Confident	76.6	Confident	86 Å²	86	74.2 Å²	74.2	52%	0.521	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.6	-173.2	-172.4	0	0	0	0	113	M483 G484	M483-V487 HydrophobicContact CB-CG1 4.23Å; M483-V487 PolarHBondContact N-O 3.14Å; G484-V487 PolarHBondContact N-O 2.66Å; G484-V487 PolarHBondContact O-N 3.36Å
488	F	79.3	Confident	76.5	Confident	59 Å²	59	72 Å²	72	26%	0.259	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	167	179.9	74.6	-85.2	0	0	0	113.5	L468 H474 V481	L468-F488 HydrophobicContact CB-CD1 4.21Å; L468-F488 HydrophobicContact CD1-CD1 4.22Å; L468-F488 HydrophobicContact CD1-CE1 4.39Å; H474-F488 HydrophobicContact CB-CD1 4.31Å; H474-F488 HydrophobicContact CB-CD2 3.8Å; H474-F488 HydrophobicContact CB-CE1 4.2Å; H474-F488 HydrophobicContact CB-CE2 3.69Å; H474-F488 HydrophobicContact CB-CG 4.13Å; H474-F488 HydrophobicContact CB-CZ 3.91Å; H474-F488 WeakPolarHBondContact O-CE2 3.35Å; H474-F488 WeakPolarHBondContact O-CZ 3.33Å; V481-F488 WeakPolarHBondContact O-CA 3.17Å
489	T	81.4	Confident	76.3	Confident	69 Å²	69	71.2 Å²	71.2	42%	0.423	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	167.3	171.4	-167.6	0	0	0	0	112.6	V481 M483	V481-T489 HydrophobicContact CB-CG2 4Å; V481-T489 PolarHBondContact N-O 2.81Å; V481-T489 PolarHBondContact O-N 2.98Å; M483-T489 HydrophobicContact CG-CG2 4.21Å
490	C	83.7	Confident	76.1	Confident	11 Å²	11	75.8 Å²	75.8	7%	0.074	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.7	-174.8	-52.2	0	0	0	0	113.8	C476 V479 E502	C476-C490 WeakPolarHBondContact CA-SG 3.33Å; C476-C490 HydrophobicContact CB-CB 3.64Å; C476-C490 WeakPolarHBondContact CB-SG 3.3Å; C476-C490 VanDerWaalsContact SG-CA 3.55Å; C476-C490 WeakPolarHBondContact SG-CB 3.18Å; C476-C490 CovalentContact SG-SG 2.03Å; C476-C490 PolarHBondContact SG-SG 2.86Å; V479-C490 CarbonylContact O-C 3.6Å; V479-C490 WeakPolarHBondContact O-CA 3.39Å; C490-E502 WeakPolarHBondContact CB-O 3.16Å
491	D	81.7	Confident	75.8	Confident	93 Å²	93	78.4 Å²	78.4	50%	0.497	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	168.4	178.7	-157.4	1.7	0	0	0	113.1	V479	V479-D491 HydrophobicContact CB-CB 4.26Å; V479-D491 WeakPolarHBondContact CB-O 3.47Å; V479-D491 PolarHBondContact N-O 3.37Å; V479-D491 VanDerWaalsContact N-O 3.12Å; V479-D491 PolarHBondContact O-N 2.89Å
492	C	82.3	Confident	75.5	Confident	22 Å²	22	82.2 Å²	82.2	15%	0.149	43%	0.431	C	S	.	.			trans	-119.1	154.7	-174.8	-59.1	0	0	0	0	114.9	L498 C505	C492-L498 WeakPolarHBondContact SG-CA 3.42Å; C492-L498 VanDerWaalsContact SG-CB 3.58Å; C492-L498 WeakPolarHBondContact SG-CD1 3.36Å; C492-L498 PolarHBondContact SG-N 2.75Å; C492-L498 VanDerWaalsContact SG-N 3.44Å; C492-C505 VanDerWaalsContact CA-SG 3.53Å; C492-C505 HydrophobicContact CB-CB 3.84Å; C492-C505 WeakPolarHBondContact CB-SG 3.34Å; C492-C505 WeakPolarHBondContact SG-CB 3.36Å; C492-C505 CovalentContact SG-SG 2.01Å; C492-C505 PolarHBondContact SG-SG 2.03Å
493	N	77.6	Confident	75.4	Confident	93 Å²	93	82.3 Å²	82.3	50%	0.497	43%	0.433	S	S	.	.			trans	-75.9	158.4	175.8	-64.5	-48.6	0	0	0	113.2	Q478 Y496	Q478-N493 PolarHBondContact OE1-ND2 2.86Å; N493-Y496 WeakPolarHBondContact O-CB 3.36Å; N493-Y496 PolarHBondContact O-N 3.38Å
494	E	71.8	Confident	75.7	Confident	201 Å²	201	78.3 Å²	78.3	94%	0.939	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	138.8	178.7	-73.9	-169.5	157.7	0	0	113.1	Y496	E494-Y496 VanDerWaalsContact C-N 3.33Å
495	G	69.1	Low	76.3	Confident	27 Å²	27	78.1 Å²	78.1	28%	0.278	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-6.6	-175.6	0	0	0	0	0	114.6	I508 P527	G495-I508 PolarHBondContact O-N 2.96Å; G495-P527 WeakPolarHBondContact O-CB 3.5Å
496	Y	77.8	Confident	76.9	Confident	92 Å²	92	77.4 Å²	77.4	36%	0.361	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157	176.1	-64.9	-105.5	0	0	0	111	N493 E494 S506 P507 P527	N493-Y496 WeakPolarHBondContact O-CB 3.36Å; N493-Y496 PolarHBondContact O-N 3.38Å; E494-Y496 VanDerWaalsContact C-N 3.33Å; Y496-S506 CarbonylContact C-O 3.48Å; Y496-S506 VanDerWaalsContact CA-O 3.26Å; Y496-S506 WeakPolarHBondContact CA-O 3.27Å; Y496-P507 HydrophobicContact CD1-CB 3.93Å; Y496-P507 HydrophobicContact CE1-CB 3.68Å; Y496-P507 HydrophobicContact CE1-CG 4.23Å; Y496-P527 HydrophobicContact CD2-CB 4.25Å; Y496-P527 HydrophobicContact CD2-CG 4.4Å; Y496-P527 HydrophobicContact CE1-CG 4.08Å; Y496-P527 HydrophobicContact CE2-CB 3.9Å; Y496-P527 HydrophobicContact CE2-CG 3.58Å; Y496-P527 VanDerWaalsContact OH-CG 3.31Å; Y496-P527 WeakPolarHBondContact OH-CG 3.48Å
497	R	78.5	Confident	77.1	Confident	160 Å²	160	79.1 Å²	79.1	60%	0.604	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.6	174.1	65.9	-179.3	-176.4	-174.9	-1.5	110.7	C505 S506	R497-C505 CarbonylContact O-C 3.47Å; R497-C505 WeakPolarHBondContact O-CA 3.19Å; R497-S506 PolarHBondContact N-O 3.28Å; R497-S506 PolarHBondContact O-N 2.91Å
498	L	78.3	Confident	77.2	Confident	65 Å²	65	77.8 Å²	77.8	34%	0.34	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.4	175	-169	69.3	0	0	0	109.8	C492	C492-L498 WeakPolarHBondContact SG-CA 3.42Å; C492-L498 VanDerWaalsContact SG-CB 3.58Å; C492-L498 WeakPolarHBondContact SG-CD1 3.36Å; C492-L498 PolarHBondContact SG-N 2.75Å; C492-L498 VanDerWaalsContact SG-N 3.44Å
499	N	76.4	Confident	77	Confident	44 Å²	44	77.5 Å²	77.5	24%	0.235	40%	0.404	C	S	.	.			trans	-77.7	166.2	-179.7	-67.4	-31.5	0	0	0	111	D501 E502 T504 S506	N499-D501 PolarHBondContact O-N 3.31Å; N499-D501 VanDerWaalsContact O-N 3.11Å; N499-E502 PolarHBondContact O-N 3.2Å; N499-T504 VanDerWaalsContact CB-O 3.27Å; N499-T504 WeakPolarHBondContact CB-O 3.36Å; N499-T504 WeakPolarHBondContact CB-OG1 3.36Å; N499-T504 PolarHBondContact N-O 3.4Å; N499-T504 PolarHBondContact ND2-O 3.04Å; N499-T504 PolarHBondContact ND2-OG1 3.08Å; N499-S506 PolarHBondContact ND2-OG 2.81Å; N499-S506 VanDerWaalsContact ND2-OG 3.08Å; N499-S506 VanDerWaalsContact OD1-CB 3.32Å; N499-S506 WeakPolarHBondContact OD1-CB 3.36Å; N499-S506 PolarHBondContact OD1-OG 3.07Å
500	V	77.5	Confident	76.7	Confident	148 Å²	148	76.3 Å²	76.3	90%	0.897	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.6	-177.3	-175.7	0	0	0	0	112.7	E502	V500-E502 PolarHBondContact O-N 3.31Å
501	D	74.8	Confident	76.2	Confident	86 Å²	86	77 Å²	77	46%	0.46	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.2	174.2	67.2	4.3	0	0	0	113.7	N499 K503 T504	N499-D501 PolarHBondContact O-N 3.31Å; N499-D501 VanDerWaalsContact O-N 3.11Å; D501-K503 PolarHBondContact O-N 3.25Å; D501-K503 PolarHBondContact OD1-N 3.44Å; D501-K503 VanDerWaalsContact OD1-N 3.09Å; D501-T504 PolarHBondContact OD1-N 3.49Å; D501-T504 PolarHBondContact OD1-OG1 2.99Å; D501-T504 WeakPolarHBondContact OD2-CG2 3.11Å; D501-T504 PolarHBondContact OD2-OG1 3.22Å
502	E	73	Confident	75.8	Confident	141 Å²	141	76.5 Å²	76.5	66%	0.659	41%	0.409	S	S	*	.	S	Bend	trans	57.4	18.1	177.9	-58.3	-178.4	174	0	0	114	C490 N499 V500	C490-E502 WeakPolarHBondContact CB-O 3.16Å; N499-E502 PolarHBondContact O-N 3.2Å; V500-E502 PolarHBondContact O-N 3.31Å
503	K	73.9	Confident	75.5	Confident	104 Å²	104	80.5 Å²	80.5	45%	0.452	43%	0.425	S	S	.	.	S	Bend	trans	-134.4	-27.7	-176.8	-67.9	-174	-179	-175.2	0	114.5	E477 D501	E477-K503 WeakPolarHBondContact CB-O 3.5Å; E477-K503 PolarHBondContact N-O 3.05Å; E477-K503 VanDerWaalsContact N-O 3.14Å; D501-K503 PolarHBondContact O-N 3.25Å; D501-K503 PolarHBondContact OD1-N 3.44Å; D501-K503 VanDerWaalsContact OD1-N 3.09Å
504	T	76.2	Confident	74.9	Confident	46 Å²	46	78.6 Å²	78.6	28%	0.282	43%	0.427	S	S	.	.			trans	-112.3	157	-176.2	65.5	0	0	0	0	113.1	E477 N499 D501	E477-T504 WeakPolarHBondContact OE2-CA 3.33Å; E477-T504 WeakPolarHBondContact OE2-CB 3.21Å; N499-T504 VanDerWaalsContact CB-O 3.27Å; N499-T504 WeakPolarHBondContact CB-O 3.36Å; N499-T504 WeakPolarHBondContact CB-OG1 3.36Å; N499-T504 PolarHBondContact N-O 3.4Å; N499-T504 PolarHBondContact ND2-O 3.04Å; N499-T504 PolarHBondContact ND2-OG1 3.08Å; D501-T504 PolarHBondContact OD1-N 3.49Å; D501-T504 PolarHBondContact OD1-OG1 2.99Å; D501-T504 WeakPolarHBondContact OD2-CG2 3.11Å; D501-T504 PolarHBondContact OD2-OG1 3.22Å
505	C	82.8	Confident	74.8	Confident	11 Å²	11	76.6 Å²	76.6	7%	0.074	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.1	-172.1	-58.9	0	0	0	0	112.9	E477 Q478 C492 R497	E477-C505 PolarHBondContact OE2-N 3.45Å; Q478-C505 VanDerWaalsContact CD-SG 3.56Å; Q478-C505 HydrophobicContact CG-CB 4.28Å; C492-C505 VanDerWaalsContact CA-SG 3.53Å; C492-C505 HydrophobicContact CB-CB 3.84Å; C492-C505 WeakPolarHBondContact CB-SG 3.34Å; C492-C505 WeakPolarHBondContact SG-CB 3.36Å; C492-C505 CovalentContact SG-SG 2.01Å; C492-C505 PolarHBondContact SG-SG 2.03Å; R497-C505 CarbonylContact O-C 3.47Å; R497-C505 WeakPolarHBondContact O-CA 3.19Å
506	S	77.5	Confident	75	Confident	36 Å²	36	77.7 Å²	77.7	25%	0.252	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.4	178.3	-63.9	0	0	0	0	113.8	Y496 R497 N499	Y496-S506 CarbonylContact C-O 3.48Å; Y496-S506 VanDerWaalsContact CA-O 3.26Å; Y496-S506 WeakPolarHBondContact CA-O 3.27Å; R497-S506 PolarHBondContact N-O 3.28Å; R497-S506 PolarHBondContact O-N 2.91Å; N499-S506 PolarHBondContact ND2-OG 2.81Å; N499-S506 VanDerWaalsContact ND2-OG 3.08Å; N499-S506 VanDerWaalsContact OD1-CB 3.32Å; N499-S506 WeakPolarHBondContact OD1-CB 3.36Å; N499-S506 PolarHBondContact OD1-OG 3.07Å
507	P	72.2	Confident	74.7	Confident	68 Å²	68	75.7 Å²	75.7	44%	0.442	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	150.7	176.2	29.5	-33.6	0	0	0	113.8	Y496 P527	Y496-P507 HydrophobicContact CD1-CB 3.93Å; Y496-P507 HydrophobicContact CE1-CB 3.68Å; Y496-P507 HydrophobicContact CE1-CG 4.23Å; P507-P527 HydrophobicContact CB-CB 3.57Å; P507-P527 HydrophobicContact CB-CG 3.57Å
508	I	75.9	Confident	74.8	Confident	58 Å²	58	69.2 Å²	69.2	30%	0.297	40%	0.4	S	S	.	.			trans	-97.3	127.7	179.2	-60.3	170.8	0	0	0	111.1	G495 Y524 P527 G528	G495-I508 PolarHBondContact O-N 2.96Å; I508-Y524 WeakPolarHBondContact O-CE2 3.5Å; I508-P527 CarbonylContact O-C 3.58Å; I508-P527 WeakPolarHBondContact O-CA 3.47Å; I508-G528 PolarHBondContact O-N 3.41Å
509	D	75.4	Confident	74.9	Confident	52 Å²	52	71.5 Å²	71.5	28%	0.278	41%	0.409	S	S	.	.			trans	-111.1	109.3	179.1	-176.2	-14.5	0	0	0	113.5	C511 A512 E513 Y524	D509-C511 PolarHBondContact OD1-N 2.92Å; D509-A512 HydrophobicContact CB-CB 4.29Å; D509-A512 PolarHBondContact OD1-N 3.12Å; D509-E513 WeakPolarHBondContact O-CG 3.47Å; D509-Y524 VanDerWaalsContact CA-CE2 3.48Å; D509-Y524 HydrophobicContact CB-CD2 3.79Å; D509-Y524 HydrophobicContact CB-CE2 3.62Å; D509-Y524 HydrophobicContact CB-CG 4.42Å; D509-Y524 WeakPolarHBondContact OD1-CD2 3.18Å
510	L	73.7	Confident	75	Confident	45 Å²	45	72.4 Å²	72.4	24%	0.236	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-21	-178.1	-65.4	173.3	0	0	0	114.9	G528 F530	L510-G528 VanDerWaalsContact CD1-O 3.22Å; L510-G528 WeakPolarHBondContact CD1-O 3.23Å; L510-F530 HydrophobicContact CB-CD1 4.13Å; L510-F530 HydrophobicContact CD1-CD1 4.08Å
511	C	74.9	Confident	75.1	Confident	24 Å²	24	67.8 Å²	67.8	16%	0.162	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-41.5	175	-75.6	0	0	0	0	110.3	D509 E513 G514 C522 V523 Y524	D509-C511 PolarHBondContact OD1-N 2.92Å; C511-E513 PolarHBondContact O-N 3.22Å; C511-G514 PolarHBondContact O-N 2.99Å; C511-G514 VanDerWaalsContact O-N 3.13Å; C511-C522 HydrophobicContact CB-CB 4.12Å; C511-C522 WeakPolarHBondContact CB-SG 3.49Å; C511-C522 VanDerWaalsContact SG-C 3.56Å; C511-C522 WeakPolarHBondContact SG-CB 3.08Å; C511-C522 CovalentContact SG-SG 2.07Å; C511-C522 PolarHBondContact SG-SG 3.05Å; C511-V523 PolarHBondContact SG-N 2.94Å; C511-V523 VanDerWaalsContact SG-N 3.44Å; C511-Y524 PolarHBondContact SG-N 3.11Å
512	A	72.6	Confident	75.4	Confident	83 Å²	83	65.1 Å²	65.1	69%	0.686	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.7	177.4	0	0	0	0	0	112.9	D509 G514	D509-A512 HydrophobicContact CB-CB 4.29Å; D509-A512 PolarHBondContact OD1-N 3.12Å; A512-G514 VanDerWaalsContact C-N 3.33Å
513	E	74.8	Confident	75.7	Confident	106 Å²	106	61.2 Å²	61.2	50%	0.495	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.6	176.7	-68.7	-174.6	-162.7	0	0	114.1	D509 C511 K515	D509-E513 WeakPolarHBondContact O-CG 3.47Å; C511-E513 PolarHBondContact O-N 3.22Å; E513-K515 VanDerWaalsContact C-N 3.34Å; E513-K515 PolarHBondContact O-N 3.39Å
514	G	65.1	Low	75.8	Confident	53 Å²	53	60.2 Å²	60.2	55%	0.546	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	13.3	174	0	0	0	0	0	116	C511 A512	C511-G514 PolarHBondContact O-N 2.99Å; C511-G514 VanDerWaalsContact O-N 3.13Å; A512-G514 VanDerWaalsContact C-N 3.33Å
515	K	70.9	Confident	75.5	Confident	160 Å²	160	60.9 Å²	60.9	70%	0.696	36%	0.358	S	S	*	.			trans	-102.8	45.8	-175.4	-65.2	-180	-175.3	163.7	0	113.1	E513	E513-K515 VanDerWaalsContact C-N 3.34Å; E513-K515 PolarHBondContact O-N 3.39Å
516	H	72.1	Confident	74.9	Confident	49 Å²	49	61 Å²	61	23%	0.227	36%	0.361	C	S	.	.			trans	-116.4	-29.2	-167.9	57	79.2	0	0	0	116.3	C522 F530	H516-C522 HydrophobicContact CB-CB 4.36Å; H516-C522 WeakPolarHBondContact CB-SG 3.23Å; H516-C522 VanDerWaalsContact CD2-SG 3.54Å; H516-C522 VanDerWaalsContact CE1-CB 3.5Å; H516-C522 WeakPolarHBondContact CE1-CB 3.47Å; H516-C522 WeakPolarHBondContact ND1-CB 3.23Å; H516-F530 HydrophobicContact CB-CD1 4.44Å; H516-F530 HydrophobicContact CB-CD2 3.65Å; H516-F530 HydrophobicContact CB-CE1 4.34Å; H516-F530 HydrophobicContact CB-CE2 3.56Å; H516-F530 HydrophobicContact CB-CG 4.12Å; H516-F530 HydrophobicContact CB-CZ 3.92Å; H516-F530 WeakPolarHBondContact O-CE2 3.43Å; H516-F530 WeakPolarHBondContact O-CZ 3.01Å
517	G	72.8	Confident	74.3	Confident	51 Å²	51	60.9 Å²	60.9	53%	0.526	36%	0.36	S	S	.	.			trans	66.2	42.3	170.6	0	0	0	0	0	116.9	K545	G517-K545 WeakPolarHBondContact O-CD 3.34Å
518	C	79.6	Confident	74.1	Confident	23 Å²	23	59.3 Å²	59.3	16%	0.155	36%	0.355	C	S	.	.			trans	-95.2	145.9	173.7	-56	0	0	0	0	111.3	V521 C532	C518-V521 WeakPolarHBondContact CB-O 2.97Å; C518-V521 PolarHBondContact SG-O 3.46Å; C518-C532 WeakPolarHBondContact CA-SG 3.18Å; C518-C532 HydrophobicContact CB-CB 3.51Å; C518-C532 WeakPolarHBondContact CB-SG 3.42Å; C518-C532 WeakPolarHBondContact SG-CA 3.13Å; C518-C532 WeakPolarHBondContact SG-CB 3.12Å; C518-C532 CovalentContact SG-SG 2.02Å; C518-C532 PolarHBondContact SG-SG 3.23Å
519	E	80.3	Confident	74.1	Confident	113 Å²	113	61.6 Å²	61.6	53%	0.528	37%	0.367	S	S	.	.	S	Bend	trans	-68.5	-44.1	179.7	-173.1	-171.1	149.8	0	0	112.6	K545 T546 C547	E519-K545 WeakPolarHBondContact CB-O 3.32Å; E519-K545 PolarHBondContact N-O 2.89Å; E519-T546 WeakPolarHBondContact OE2-CA 3.45Å; E519-T546 WeakPolarHBondContact OE2-CB 3.44Å; E519-T546 VanDerWaalsContact OE2-CG2 3.26Å; E519-T546 WeakPolarHBondContact OE2-CG2 3.27Å; E519-C547 PolarHBondContact OE2-N 2.89Å
520	Q	79.2	Confident	74.2	Confident	64 Å²	64	62.2 Å²	62.2	30%	0.299	37%	0.368	S	S	.	.	S	Bend	trans	-116.8	-63.7	-175.5	-62.8	-174.3	-2.3	0	0	112.1	C547	Q520-C547 PolarHBondContact OE1-SG 3.4Å; Q520-C547 VanDerWaalsContact OE1-SG 3.33Å
521	V	79.3	Confident	74.6	Confident	51 Å²	51	63.5 Å²	63.5	31%	0.309	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.4	-173	-176.8	0	0	0	0	111.7	C518 V523 C532 D533	C518-V521 WeakPolarHBondContact CB-O 2.97Å; C518-V521 PolarHBondContact SG-O 3.46Å; V521-V523 HydrophobicContact CG1-CG2 4.31Å; V521-C532 CarbonylContact O-C 3.59Å; V521-C532 VanDerWaalsContact O-CA 3.24Å; V521-C532 WeakPolarHBondContact O-CA 3.16Å; V521-D533 HydrophobicContact CB-CB 3.97Å; V521-D533 WeakPolarHBondContact CB-O 3.49Å; V521-D533 HydrophobicContact CG1-CB 4.22Å; V521-D533 PolarHBondContact N-O 3.36Å; V521-D533 PolarHBondContact O-N 3.08Å
522	C	80.9	Confident	75	Confident	29 Å²	29	63.2 Å²	63.2	20%	0.196	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.7	169.5	-172	0	0	0	0	110.4	C511 H516	C511-C522 HydrophobicContact CB-CB 4.12Å; C511-C522 WeakPolarHBondContact CB-SG 3.49Å; C511-C522 VanDerWaalsContact SG-C 3.56Å; C511-C522 WeakPolarHBondContact SG-CB 3.08Å; C511-C522 CovalentContact SG-SG 2.07Å; C511-C522 PolarHBondContact SG-SG 3.05Å; H516-C522 HydrophobicContact CB-CB 4.36Å; H516-C522 WeakPolarHBondContact CB-SG 3.23Å; H516-C522 VanDerWaalsContact CD2-SG 3.54Å; H516-C522 VanDerWaalsContact CE1-CB 3.5Å; H516-C522 WeakPolarHBondContact CE1-CB 3.47Å; H516-C522 WeakPolarHBondContact ND1-CB 3.23Å
523	V	80.3	Confident	75.3	Confident	60 Å²	60	63.2 Å²	63.2	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.4	179.4	-175.2	0	0	0	0	110.1	C511 V521 S525 F530 T531 D533	C511-V523 PolarHBondContact SG-N 2.94Å; C511-V523 VanDerWaalsContact SG-N 3.44Å; V521-V523 HydrophobicContact CG1-CG2 4.31Å; V523-S525 PolarHBondContact O-N 3.1Å; V523-S525 PolarHBondContact O-OG 3.46Å; V523-F530 WeakPolarHBondContact O-CA 3.22Å; V523-T531 PolarHBondContact N-O 3.25Å; V523-T531 PolarHBondContact O-N 3.27Å; V523-T531 PolarHBondContact O-OG1 3.27Å; V523-D533 HydrophobicContact CG2-CB 4.12Å
524	Y	76.3	Confident	75.7	Confident	82 Å²	82	59 Å²	59	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	125	175.2	173.2	-109.2	0	0	0	109.8	I508 D509 C511 G526 P527	I508-Y524 WeakPolarHBondContact O-CE2 3.5Å; D509-Y524 VanDerWaalsContact CA-CE2 3.48Å; D509-Y524 HydrophobicContact CB-CD2 3.79Å; D509-Y524 HydrophobicContact CB-CE2 3.62Å; D509-Y524 HydrophobicContact CB-CG 4.42Å; D509-Y524 WeakPolarHBondContact OD1-CD2 3.18Å; C511-Y524 PolarHBondContact SG-N 3.11Å; Y524-G526 WeakPolarHBondContact CE2-O 3.44Å; Y524-G526 VanDerWaalsContact OH-C 3.27Å; Y524-P527 VanDerWaalsContact OH-CA 3.26Å; Y524-P527 WeakPolarHBondContact OH-CA 3.39Å; Y524-P527 VanDerWaalsContact OH-N 3.11Å
525	S	69.1	Low	76.2	Confident	60 Å²	60	61 Å²	61	42%	0.42	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	6.2	-171.2	-56.7	0	0	0	0	113.3	V523 I529 T531	V523-S525 PolarHBondContact O-N 3.1Å; V523-S525 PolarHBondContact O-OG 3.46Å; S525-I529 PolarHBondContact N-O 2.8Å; S525-T531 PolarHBondContact OG-OG1 3.3Å
526	G	68.9	Low	76	Confident	15 Å²	15	62.8 Å²	62.8	16%	0.155	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.7	170	176.8	0	0	0	0	0	111.8	Y524 G528 I529	Y524-G526 WeakPolarHBondContact CE2-O 3.44Å; Y524-G526 VanDerWaalsContact OH-C 3.27Å; G526-G528 PolarHBondContact O-N 3.36Å; G526-I529 PolarHBondContact N-O 2.75Å; G526-I529 PolarHBondContact O-N 3.03Å; G526-I529 VanDerWaalsContact O-O 3.09Å
527	P	66.1	Low	75.9	Confident	33 Å²	33	61.8 Å²	61.8	21%	0.214	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	111.2	-175.8	-15.7	25.8	0	0	0	110.6	G495 Y496 P507 I508 Y524	G495-P527 WeakPolarHBondContact O-CB 3.5Å; Y496-P527 HydrophobicContact CD2-CB 4.25Å; Y496-P527 HydrophobicContact CD2-CG 4.4Å; Y496-P527 HydrophobicContact CE1-CG 4.08Å; Y496-P527 HydrophobicContact CE2-CB 3.9Å; Y496-P527 HydrophobicContact CE2-CG 3.58Å; Y496-P527 VanDerWaalsContact OH-CG 3.31Å; Y496-P527 WeakPolarHBondContact OH-CG 3.48Å; P507-P527 HydrophobicContact CB-CB 3.57Å; P507-P527 HydrophobicContact CB-CG 3.57Å; I508-P527 CarbonylContact O-C 3.58Å; I508-P527 WeakPolarHBondContact O-CA 3.47Å; Y524-P527 VanDerWaalsContact OH-CA 3.26Å; Y524-P527 WeakPolarHBondContact OH-CA 3.39Å; Y524-P527 VanDerWaalsContact OH-N 3.11Å
528	G	68.8	Low	76.1	Confident	34 Å²	34	64.6 Å²	64.6	35%	0.351	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.7	-176.4	0	0	0	0	0	116.4	I508 L510 G526	I508-G528 PolarHBondContact O-N 3.41Å; L510-G528 VanDerWaalsContact CD1-O 3.22Å; L510-G528 WeakPolarHBondContact CD1-O 3.23Å; G526-G528 PolarHBondContact O-N 3.36Å
529	I	75.1	Confident	76	Confident	106 Å²	106	70 Å²	70	54%	0.544	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.9	-173.6	-52.3	174.7	0	0	0	111.1	S525 G526	S525-I529 PolarHBondContact N-O 2.8Å; G526-I529 PolarHBondContact N-O 2.75Å; G526-I529 PolarHBondContact O-N 3.03Å; G526-I529 VanDerWaalsContact O-O 3.09Å
530	F	78.4	Confident	75.9	Confident	66 Å²	66	67.3 Å²	67.3	29%	0.289	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.9	178.6	75.4	-88	0	0	0	113.5	L510 H516 V523	L510-F530 HydrophobicContact CB-CD1 4.13Å; L510-F530 HydrophobicContact CD1-CD1 4.08Å; H516-F530 HydrophobicContact CB-CD1 4.44Å; H516-F530 HydrophobicContact CB-CD2 3.65Å; H516-F530 HydrophobicContact CB-CE1 4.34Å; H516-F530 HydrophobicContact CB-CE2 3.56Å; H516-F530 HydrophobicContact CB-CG 4.12Å; H516-F530 HydrophobicContact CB-CZ 3.92Å; H516-F530 WeakPolarHBondContact O-CE2 3.43Å; H516-F530 WeakPolarHBondContact O-CZ 3.01Å; V523-F530 WeakPolarHBondContact O-CA 3.22Å
531	T	80.3	Confident	75.6	Confident	71 Å²	71	66.7 Å²	66.7	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.6	174.1	52.9	0	0	0	0	111.2	V523 S525	V523-T531 PolarHBondContact N-O 3.25Å; V523-T531 PolarHBondContact O-N 3.27Å; V523-T531 PolarHBondContact O-OG1 3.27Å; S525-T531 PolarHBondContact OG-OG1 3.3Å
532	C	83.6	Confident	75.4	Confident	19 Å²	19	68.2 Å²	68.2	13%	0.128	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.1	179	-59	0	0	0	0	111.9	C518 V521 L540 K544	C518-C532 WeakPolarHBondContact CA-SG 3.18Å; C518-C532 HydrophobicContact CB-CB 3.51Å; C518-C532 WeakPolarHBondContact CB-SG 3.42Å; C518-C532 WeakPolarHBondContact SG-CA 3.13Å; C518-C532 WeakPolarHBondContact SG-CB 3.12Å; C518-C532 CovalentContact SG-SG 2.02Å; C518-C532 PolarHBondContact SG-SG 3.23Å; V521-C532 CarbonylContact O-C 3.59Å; V521-C532 VanDerWaalsContact O-CA 3.24Å; V521-C532 WeakPolarHBondContact O-CA 3.16Å; C532-L540 VanDerWaalsContact O-CD2 3.22Å; C532-L540 WeakPolarHBondContact O-CD2 3.37Å; C532-K544 WeakPolarHBondContact CB-O 3.3Å
533	D	80.3	Confident	75	Confident	83 Å²	83	71 Å²	71	44%	0.444	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	174.2	-178.8	-156.7	4.5	0	0	0	113.5	V521 V523	V521-D533 HydrophobicContact CB-CB 3.97Å; V521-D533 WeakPolarHBondContact CB-O 3.49Å; V521-D533 HydrophobicContact CG1-CB 4.22Å; V521-D533 PolarHBondContact N-O 3.36Å; V521-D533 PolarHBondContact O-N 3.08Å; V523-D533 HydrophobicContact CG2-CB 4.12Å
534	C	82	Confident	74.7	Confident	17 Å²	17	75.6 Å²	75.6	12%	0.115	41%	0.412	C	S	.	.			trans	-122	159.3	-173.7	-59.7	0	0	0	0	114.9	R539 L540 C547	C534-R539 VanDerWaalsContact SG-C 3.56Å; C534-L540 WeakPolarHBondContact SG-CA 3.46Å; C534-L540 VanDerWaalsContact SG-CB 3.55Å; C534-L540 WeakPolarHBondContact SG-CD1 3.28Å; C534-L540 PolarHBondContact SG-N 3.42Å; C534-C547 HydrophobicContact CB-CB 3.82Å; C534-C547 WeakPolarHBondContact CB-SG 3.31Å; C534-C547 WeakPolarHBondContact SG-CB 3.45Å; C534-C547 CovalentContact SG-SG 2.01Å; C534-C547 PolarHBondContact SG-SG 3.41Å
535	N	75.4	Confident	74.7	Confident	96 Å²	96	76.7 Å²	76.7	51%	0.513	42%	0.418	S	S	.	.			trans	-72.9	157.7	174.6	-67	-35.7	0	0	0	112.7	G537 Y538	N535-G537 PolarHBondContact O-N 2.88Å; N535-Y538 PolarHBondContact O-N 3.47Å
536	E	68.2	Low	75.1	Confident	197 Å²	197	75.9 Å²	75.9	92%	0.921	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	135.3	-176.5	-69.5	-170.2	158.3	0	0	113.6
537	G	69.3	Low	75.7	Confident	27 Å²	27	76.1 Å²	76.1	28%	0.278	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-0.3	-175.6	0	0	0	0	0	115	N535 I550	N535-G537 PolarHBondContact O-N 2.88Å; G537-I550 WeakPolarHBondContact O-CB 3.4Å; G537-I550 PolarHBondContact O-N 3.34Å
538	Y	77.6	Confident	76.2	Confident	110 Å²	110	75.8 Å²	75.8	43%	0.431	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.6	-179.9	-63.7	-104.5	0	0	0	112	N535 S548 P549	N535-Y538 PolarHBondContact O-N 3.47Å; Y538-S548 CarbonylContact C-O 3.38Å; Y538-S548 WeakPolarHBondContact CA-O 3.4Å; Y538-S548 WeakPolarHBondContact CB-O 3.38Å; Y538-S548 VanDerWaalsContact CD1-C 3.48Å; Y538-P549 HydrophobicContact CD1-CB 3.97Å; Y538-P549 HydrophobicContact CE1-CB 3.68Å; Y538-P549 HydrophobicContact CE1-CG 4.21Å
539	R	77.1	Confident	76.4	Confident	137 Å²	137	77.9 Å²	77.9	52%	0.517	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	179.6	68	-175.9	-175.2	-173	5.8	112	C534 C547 S548 I550 E555	C534-R539 VanDerWaalsContact SG-C 3.56Å; R539-C547 CarbonylContact O-C 3.56Å; R539-C547 VanDerWaalsContact O-CA 3.27Å; R539-C547 WeakPolarHBondContact O-CA 3.48Å; R539-S548 WeakPolarHBondContact CG-OG 3.33Å; R539-S548 PolarHBondContact N-O 3.44Å; R539-S548 PolarHBondContact O-N 2.95Å; R539-S548 PolarHBondContact O-OG 3.13Å; R539-I550 HydrophobicContact CB-CD1 4.15Å; R539-I550 HydrophobicContact CB-CG1 4.21Å; R539-I550 HydrophobicContact CG-CG1 4.43Å; R539-E555 IonicContact NH1-OE1 3.23Å; R539-E555 PolarHBondContact NH1-OE1 3.38Å
540	L	77	Confident	76.2	Confident	56 Å²	56	74 Å²	74	29%	0.293	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.3	179	-164.8	77	0	0	0	111.2	C532 C534 T546	C532-L540 VanDerWaalsContact O-CD2 3.22Å; C532-L540 WeakPolarHBondContact O-CD2 3.37Å; C534-L540 WeakPolarHBondContact SG-CA 3.46Å; C534-L540 VanDerWaalsContact SG-CB 3.55Å; C534-L540 WeakPolarHBondContact SG-CD1 3.28Å; C534-L540 PolarHBondContact SG-N 3.42Å; L540-T546 CarbonylContact C-O 3.5Å; L540-T546 WeakPolarHBondContact CA-O 3.5Å; L540-T546 WeakPolarHBondContact CD1-O 3.08Å
541	N	74.4	Confident	76.1	Confident	52 Å²	52	73.6 Å²	73.6	28%	0.278	40%	0.397	S	S	.	.			trans	-80.2	167.2	-177.2	-61.8	-31.9	0	0	0	111.1	D543 K544 T546 C547 S548	N541-D543 PolarHBondContact O-N 2.79Å; N541-K544 PolarHBondContact O-N 3.1Å; N541-T546 WeakPolarHBondContact CB-O 3.47Å; N541-T546 WeakPolarHBondContact CB-OG1 3.33Å; N541-T546 PolarHBondContact N-O 2.9Å; N541-T546 PolarHBondContact ND2-O 3.08Å; N541-T546 PolarHBondContact ND2-OG1 2.79Å; N541-C547 PolarHBondContact ND2-N 3.4Å; N541-S548 WeakPolarHBondContact OD1-CB 3.46Å; N541-S548 PolarHBondContact OD1-OG 3Å
542	G	73.4	Confident	75.7	Confident	83 Å²	83	71.8 Å²	71.8	86%	0.856	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.2	-173.4	0	0	0	0	0	116	K544	G542-K544 PolarHBondContact O-N 2.86Å
543	D	74.6	Confident	75.4	Confident	86 Å²	86	72.2 Å²	72.2	46%	0.46	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4	171.2	64.5	6.5	0	0	0	113.3	N541 K545 T546	N541-D543 PolarHBondContact O-N 2.79Å; D543-K545 PolarHBondContact O-N 2.86Å; D543-K545 PolarHBondContact OD1-N 2.81Å; D543-T546 VanDerWaalsContact CG-OG1 3.23Å; D543-T546 PolarHBondContact OD1-N 2.87Å; D543-T546 PolarHBondContact OD1-OG1 3.44Å; D543-T546 VanDerWaalsContact OD1-OG1 3.09Å; D543-T546 WeakPolarHBondContact OD2-CB 3.44Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.48Å; D543-T546 PolarHBondContact OD2-OG1 2.96Å
544	K	73.4	Confident	75.1	Confident	157 Å²	157	72 Å²	72	68%	0.683	40%	0.397	S	S	*	.	S	Bend	trans	57.2	24.1	-177.9	-55.9	-176.3	179.4	-177.6	0	113.3	C532 N541 G542	C532-K544 WeakPolarHBondContact CB-O 3.3Å; N541-K544 PolarHBondContact O-N 3.1Å; G542-K544 PolarHBondContact O-N 2.86Å
545	K	76.4	Confident	74.6	Confident	105 Å²	105	74.3 Å²	74.3	46%	0.457	41%	0.406	S	S	.	.	S	Bend	trans	-136.3	-29.1	-178.4	-70	-172.3	173.7	-164.7	0	114.3	G517 E519 D543	G517-K545 WeakPolarHBondContact O-CD 3.34Å; E519-K545 WeakPolarHBondContact CB-O 3.32Å; E519-K545 PolarHBondContact N-O 2.89Å; D543-K545 PolarHBondContact O-N 2.86Å; D543-K545 PolarHBondContact OD1-N 2.81Å
546	T	76.6	Confident	74	Confident	44 Å²	44	72.2 Å²	72.2	27%	0.27	41%	0.407	S	S	.	.			trans	-112.7	164.7	-173.8	63.1	0	0	0	0	114.5	E519 L540 N541 D543	E519-T546 WeakPolarHBondContact OE2-CA 3.45Å; E519-T546 WeakPolarHBondContact OE2-CB 3.44Å; E519-T546 VanDerWaalsContact OE2-CG2 3.26Å; E519-T546 WeakPolarHBondContact OE2-CG2 3.27Å; L540-T546 CarbonylContact C-O 3.5Å; L540-T546 WeakPolarHBondContact CA-O 3.5Å; L540-T546 WeakPolarHBondContact CD1-O 3.08Å; N541-T546 WeakPolarHBondContact CB-O 3.47Å; N541-T546 WeakPolarHBondContact CB-OG1 3.33Å; N541-T546 PolarHBondContact N-O 2.9Å; N541-T546 PolarHBondContact ND2-O 3.08Å; N541-T546 PolarHBondContact ND2-OG1 2.79Å; D543-T546 VanDerWaalsContact CG-OG1 3.23Å; D543-T546 PolarHBondContact OD1-N 2.87Å; D543-T546 PolarHBondContact OD1-OG1 3.44Å; D543-T546 VanDerWaalsContact OD1-OG1 3.09Å; D543-T546 WeakPolarHBondContact OD2-CB 3.44Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.48Å; D543-T546 PolarHBondContact OD2-OG1 2.96Å
547	C	82.4	Confident	74.1	Confident	19 Å²	19	68.6 Å²	68.6	13%	0.128	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.9	-170.7	-54.9	0	0	0	0	116.4	E519 Q520 C534 R539 N541	E519-C547 PolarHBondContact OE2-N 2.89Å; Q520-C547 PolarHBondContact OE1-SG 3.4Å; Q520-C547 VanDerWaalsContact OE1-SG 3.33Å; C534-C547 HydrophobicContact CB-CB 3.82Å; C534-C547 WeakPolarHBondContact CB-SG 3.31Å; C534-C547 WeakPolarHBondContact SG-CB 3.45Å; C534-C547 CovalentContact SG-SG 2.01Å; C534-C547 PolarHBondContact SG-SG 3.41Å; R539-C547 CarbonylContact O-C 3.56Å; R539-C547 VanDerWaalsContact O-CA 3.27Å; R539-C547 WeakPolarHBondContact O-CA 3.48Å; N541-C547 PolarHBondContact ND2-N 3.4Å
548	S	76.6	Confident	74.5	Confident	27 Å²	27	70.4 Å²	70.4	19%	0.189	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.7	179.9	55.1	0	0	0	0	115.3	Y538 R539 N541	Y538-S548 CarbonylContact C-O 3.38Å; Y538-S548 WeakPolarHBondContact CA-O 3.4Å; Y538-S548 WeakPolarHBondContact CB-O 3.38Å; Y538-S548 VanDerWaalsContact CD1-C 3.48Å; R539-S548 WeakPolarHBondContact CG-OG 3.33Å; R539-S548 PolarHBondContact N-O 3.44Å; R539-S548 PolarHBondContact O-N 2.95Å; R539-S548 PolarHBondContact O-OG 3.13Å; N541-S548 WeakPolarHBondContact OD1-CB 3.46Å; N541-S548 PolarHBondContact OD1-OG 3Å
549	P	71.6	Confident	74.2	Confident	77 Å²	77	69.3 Å²	69.3	50%	0.5	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	150.4	-172.3	26.2	-32.8	0	0	0	115.4	Y538 P569	Y538-P549 HydrophobicContact CD1-CB 3.97Å; Y538-P549 HydrophobicContact CE1-CB 3.68Å; Y538-P549 HydrophobicContact CE1-CG 4.21Å; P549-P569 HydrophobicContact CB-CB 4.23Å
550	I	72.4	Confident	74.3	Confident	25 Å²	25	63.4 Å²	63.4	13%	0.128	37%	0.371	C	S	.	.			trans	-107.2	133	-172.9	-60.6	171.8	0	0	0	112.4	G537 R539 L552 P569 G570	G537-I550 WeakPolarHBondContact O-CB 3.4Å; G537-I550 PolarHBondContact O-N 3.34Å; R539-I550 HydrophobicContact CB-CD1 4.15Å; R539-I550 HydrophobicContact CB-CG1 4.21Å; R539-I550 HydrophobicContact CG-CG1 4.43Å; I550-L552 HydrophobicContact CG2-CD2 3.79Å; I550-L552 HydrophobicContact CG2-CG 4.48Å; I550-P569 CarbonylContact O-C 3.45Å; I550-P569 WeakPolarHBondContact O-CA 3.36Å; I550-G570 PolarHBondContact O-N 3.49Å
551	D	75.9	Confident	74.3	Confident	57 Å²	57	64.8 Å²	64.8	31%	0.305	38%	0.378	S	S	.	.			trans	-101.9	110.6	170.1	-179.8	-27.9	0	0	0	110.4	C553 A554 E555 N566	D551-C553 PolarHBondContact OD1-N 3.36Å; D551-C553 VanDerWaalsContact OD1-N 3.14Å; D551-A554 HydrophobicContact CB-CB 4.08Å; D551-A554 VanDerWaalsContact CG-CB 3.43Å; D551-A554 WeakPolarHBondContact OD1-CB 3.37Å; D551-A554 PolarHBondContact OD1-N 2.94Å; D551-E555 WeakPolarHBondContact O-CB 3.4Å; D551-E555 WeakPolarHBondContact O-CG 3.2Å; D551-E555 PolarHBondContact O-N 3Å; D551-N566 PolarHBondContact OD1-ND2 3.22Å; D551-N566 PolarHBondContact OD2-ND2 2.98Å
552	L	71.9	Confident	74.6	Confident	33 Å²	33	64 Å²	64	17%	0.173	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-31	-171.2	-67.5	179.6	0	0	0	114.6	I550 G556 K557 G570 F572	I550-L552 HydrophobicContact CG2-CD2 3.79Å; I550-L552 HydrophobicContact CG2-CG 4.48Å; L552-G556 CarbonylContact O-C 3.59Å; L552-G556 PolarHBondContact O-N 3.38Å; L552-K557 WeakPolarHBondContact CB-O 3.46Å; L552-K557 HydrophobicContact CD2-CB 3.66Å; L552-K557 HydrophobicContact CD2-CD 4.26Å; L552-K557 CarbonylContact O-C 3.51Å; L552-K557 PolarHBondContact O-N 3.2Å; L552-G570 WeakPolarHBondContact CD1-O 3.05Å; L552-F572 HydrophobicContact CB-CD1 4.06Å; L552-F572 HydrophobicContact CD1-CD1 4.05Å; L552-F572 HydrophobicContact CD1-CE1 4.13Å
553	C	76.9	Confident	75	Confident	28 Å²	28	62.9 Å²	62.9	19%	0.189	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-38.2	175	-61.4	0	0	0	0	111.5	D551 E555 G556 C564 V565 N566 F572	D551-C553 PolarHBondContact OD1-N 3.36Å; D551-C553 VanDerWaalsContact OD1-N 3.14Å; C553-E555 VanDerWaalsContact C-N 3.35Å; C553-G556 PolarHBondContact O-N 2.79Å; C553-G556 VanDerWaalsContact O-N 3.17Å; C553-C564 HydrophobicContact CB-CB 4.11Å; C553-C564 WeakPolarHBondContact CB-SG 3.03Å; C553-C564 WeakPolarHBondContact SG-CB 3.31Å; C553-C564 CovalentContact SG-SG 2.07Å; C553-C564 PolarHBondContact SG-SG 3.23Å; C553-V565 PolarHBondContact SG-N 3.48Å; C553-V565 VanDerWaalsContact SG-N 3.41Å; C553-N566 HydrophobicContact CB-CB 3.96Å; C553-N566 VanDerWaalsContact SG-CA 3.54Å; C553-N566 PolarHBondContact SG-N 3.25Å; C553-F572 VanDerWaalsContact SG-CB 3.5Å
554	A	73	Confident	75.3	Confident	80 Å²	80	60 Å²	60	66%	0.661	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-33	179.3	0	0	0	0	0	112.3	D551 G556	D551-A554 HydrophobicContact CB-CB 4.08Å; D551-A554 VanDerWaalsContact CG-CB 3.43Å; D551-A554 WeakPolarHBondContact OD1-CB 3.37Å; D551-A554 PolarHBondContact OD1-N 2.94Å; A554-G556 VanDerWaalsContact C-N 3.3Å
555	E	71.5	Confident	75.7	Confident	65 Å²	65	56 Å²	56	30%	0.304	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.8	172.1	-66.2	-171.8	-169.6	0	0	113.3	R539 D551 C553 K557	R539-E555 IonicContact NH1-OE1 3.23Å; R539-E555 PolarHBondContact NH1-OE1 3.38Å; D551-E555 WeakPolarHBondContact O-CB 3.4Å; D551-E555 WeakPolarHBondContact O-CG 3.2Å; D551-E555 PolarHBondContact O-N 3Å; C553-E555 VanDerWaalsContact C-N 3.35Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 HydrophobicContact CB-CD 4.38Å; E555-K557 HydrophobicContact CB-CG 4.37Å; E555-K557 PolarHBondContact O-N 2.02Å; E555-K557 IonicContact OE2-NZ 2.82Å; E555-K557 PolarHBondContact OE2-NZ 3.45Å
556	G	64.3	Low	75.7	Confident	52 Å²	52	53.9 Å²	53.9	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	21.6	-179.7	0	0	0	0	0	114.8	L552 C553 A554	L552-G556 CarbonylContact O-C 3.59Å; L552-G556 PolarHBondContact O-N 3.38Å; C553-G556 PolarHBondContact O-N 2.79Å; C553-G556 VanDerWaalsContact O-N 3.17Å; A554-G556 VanDerWaalsContact C-N 3.3Å
557	K	70.1	Confident	75.5	Confident	121 Å²	121	58.1 Å²	58.1	53%	0.526	34%	0.336	S	S	.	.			trans	-100.9	60.4	-178.6	-67.9	178.6	-178.1	157	0	111.7	L552 E555	L552-K557 WeakPolarHBondContact CB-O 3.46Å; L552-K557 HydrophobicContact CD2-CB 3.66Å; L552-K557 HydrophobicContact CD2-CD 4.26Å; L552-K557 CarbonylContact O-C 3.51Å; L552-K557 PolarHBondContact O-N 3.2Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 HydrophobicContact CB-CD 4.38Å; E555-K557 HydrophobicContact CB-CG 4.37Å; E555-K557 PolarHBondContact O-N 2.02Å; E555-K557 IonicContact OE2-NZ 2.82Å; E555-K557 PolarHBondContact OE2-NZ 3.45Å
558	H	76.4	Confident	75	Confident	64 Å²	64	58.1 Å²	58.1	30%	0.296	34%	0.34	S	S	.	.			trans	-132.5	155.7	-179.4	59.6	76.8	0	0	0	111.4	C564 F572	H558-C564 HydrophobicContact CB-CB 4.12Å; H558-C564 WeakPolarHBondContact CB-SG 3.32Å; H558-C564 WeakPolarHBondContact CD2-CB 3.44Å; H558-C564 PolarHBondContact CD2-SG 3.37Å; H558-C564 WeakPolarHBondContact CE1-CB 3.3Å; H558-C564 WeakPolarHBondContact ND1-CB 3.48Å; H558-C564 VanDerWaalsContact NE2-CB 3.34Å; H558-C564 WeakPolarHBondContact NE2-CB 3.48Å; H558-F572 HydrophobicContact CB-CD1 3.88Å; H558-F572 HydrophobicContact CB-CD2 3.69Å; H558-F572 HydrophobicContact CB-CE1 3.73Å; H558-F572 HydrophobicContact CB-CE2 3.53Å; H558-F572 HydrophobicContact CB-CG 3.88Å; H558-F572 HydrophobicContact CB-CZ 3.56Å
559	D	73.3	Confident	74.4	Confident	88 Å²	88	61.2 Å²	61.2	47%	0.471	36%	0.359	S	S	.	.			trans	-100.1	14.1	-177	67.1	-2.4	0	0	0	113.7	D561 F572 K587	D559-D561 PolarHBondContact O-N 2.75Å; D559-F572 HydrophobicContact CB-CZ 4.44Å; D559-F572 WeakPolarHBondContact OD1-CE2 3.19Å; D559-F572 WeakPolarHBondContact OD1-CZ 3.48Å; D559-K587 WeakPolarHBondContact OD1-CE 3.36Å; D559-K587 IonicContact OD1-NZ 3.53Å; D559-K587 PolarHBondContact OD1-NZ 3.5Å; D559-K587 IonicContact OD2-NZ 3.38Å; D559-K587 PolarHBondContact OD2-NZ 2.97Å
560	C	78.1	Confident	74.2	Confident	12 Å²	12	59 Å²	59	8%	0.081	35%	0.35	C	S	.	.			trans	-65.3	124.1	170.7	-56.4	0	0	0	0	111.7	H562 V563 C564 F572 T573 C574	C560-H562 VanDerWaalsContact C-N 3.29Å; C560-H562 PolarHBondContact O-N 2.03Å; C560-V563 VanDerWaalsContact CB-O 3.27Å; C560-V563 WeakPolarHBondContact CB-O 3.07Å; C560-C564 HydrophobicContact CB-CB 4.14Å; C560-F572 WeakPolarHBondContact SG-CD2 3.18Å; C560-F572 VanDerWaalsContact SG-CE2 3.5Å; C560-T573 PolarHBondContact SG-O 3.3Å; C560-T573 VanDerWaalsContact SG-O 3.36Å; C560-C574 WeakPolarHBondContact CA-SG 3.34Å; C560-C574 HydrophobicContact CB-CB 3.43Å; C560-C574 VanDerWaalsContact CB-CB 3.43Å; C560-C574 WeakPolarHBondContact CB-SG 3.43Å; C560-C574 WeakPolarHBondContact SG-CA 3.02Å; C560-C574 WeakPolarHBondContact SG-CB 3.48Å; C560-C574 CovalentContact SG-SG 2.02Å; C560-C574 PolarHBondContact SG-SG 2.9Å
561	D	77.5	Confident	74.3	Confident	85 Å²	85	62.8 Å²	62.8	46%	0.455	37%	0.37	S	S	.	.	S	Bend	trans	-64.6	-35.7	-177.1	-171.5	21.1	0	0	0	112	D559 K587 C589	D559-D561 PolarHBondContact O-N 2.75Å; D561-K587 WeakPolarHBondContact CB-O 3.49Å; D561-K587 PolarHBondContact N-O 3.29Å; D561-K587 VanDerWaalsContact N-O 3.08Å; D561-C589 HydrophobicContact CB-CB 4.45Å; D561-C589 WeakPolarHBondContact OD2-CA 3.33Å; D561-C589 WeakPolarHBondContact OD2-CB 3.43Å; D561-C589 PolarHBondContact OD2-N 3.48Å
562	H	80	Confident	74.6	Confident	36 Å²	36	62.3 Å²	62.3	17%	0.167	37%	0.365	C	S	.	.	S	Bend	trans	-120.9	-55.6	-179.4	-79	160.9	0	0	0	115	C560 D575 K577 Y580 C589	C560-H562 VanDerWaalsContact C-N 3.29Å; C560-H562 PolarHBondContact O-N 2.03Å; H562-D575 WeakPolarHBondContact CB-O 3.49Å; H562-K577 HydrophobicContact CB-CD 4.42Å; H562-K577 HydrophobicContact CB-CG 4.15Å; H562-K577 PolarHBondContact ND1-N 2.73Å; H562-K577 VanDerWaalsContact ND1-N 3.16Å; H562-Y580 AromaticContact CE1-CD1 3.55Å; H562-Y580 AromaticContact CE1-CD2 3.84Å; H562-Y580 AromaticContact CE1-CG 3.44Å; H562-Y580 VanDerWaalsContact CE1-CG 3.44Å; H562-C589 WeakPolarHBondContact CE1-CB 3.42Å; H562-C589 WeakPolarHBondContact ND1-CB 3.48Å; H562-C589 PolarHBondContact ND1-SG 3.42Å
563	V	81.8	Confident	75	Confident	59 Å²	59	63.3 Å²	63.3	36%	0.358	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.3	-172.6	-177.2	0	0	0	0	109.9	C560 C574 D575	C560-V563 VanDerWaalsContact CB-O 3.27Å; C560-V563 WeakPolarHBondContact CB-O 3.07Å; V563-C574 CarbonylContact O-C 3.55Å; V563-C574 WeakPolarHBondContact O-CA 3.48Å; V563-D575 HydrophobicContact CB-CB 4.14Å; V563-D575 WeakPolarHBondContact CB-O 3.43Å; V563-D575 PolarHBondContact N-O 3.45Å; V563-D575 PolarHBondContact O-N 3.34Å
564	C	82.1	Confident	75.4	Confident	26 Å²	26	62.6 Å²	62.6	18%	0.176	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143	177.7	-174.7	0	0	0	0	112.7	C553 H558 C560 F572 T573	C553-C564 HydrophobicContact CB-CB 4.11Å; C553-C564 WeakPolarHBondContact CB-SG 3.03Å; C553-C564 WeakPolarHBondContact SG-CB 3.31Å; C553-C564 CovalentContact SG-SG 2.07Å; C553-C564 PolarHBondContact SG-SG 3.23Å; H558-C564 HydrophobicContact CB-CB 4.12Å; H558-C564 WeakPolarHBondContact CB-SG 3.32Å; H558-C564 WeakPolarHBondContact CD2-CB 3.44Å; H558-C564 PolarHBondContact CD2-SG 3.37Å; H558-C564 WeakPolarHBondContact CE1-CB 3.3Å; H558-C564 WeakPolarHBondContact ND1-CB 3.48Å; H558-C564 VanDerWaalsContact NE2-CB 3.34Å; H558-C564 WeakPolarHBondContact NE2-CB 3.48Å; C560-C564 HydrophobicContact CB-CB 4.14Å; C564-F572 VanDerWaalsContact SG-CB 3.57Å; C564-F572 VanDerWaalsContact SG-CD2 3.56Å; C564-T573 CarbonylContact C-O 3.57Å; C564-T573 WeakPolarHBondContact CA-O 3.49Å
565	V	80.7	Confident	75.8	Confident	73 Å²	73	63.2 Å²	63.2	44%	0.442	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.3	177.8	-174.1	0	0	0	0	109.7	C553 F572 T573	C553-V565 PolarHBondContact SG-N 3.48Å; C553-V565 VanDerWaalsContact SG-N 3.41Å; V565-F572 CarbonylContact O-C 3.57Å; V565-F572 VanDerWaalsContact O-CA 3.29Å; V565-F572 WeakPolarHBondContact O-CA 3.48Å; V565-F572 WeakPolarHBondContact O-CB 3.38Å; V565-T573 HydrophobicContact CB-CG2 3.83Å; V565-T573 HydrophobicContact CG1-CG2 4.44Å; V565-T573 PolarHBondContact N-O 3.48Å; V565-T573 PolarHBondContact O-N 3.25Å
566	N	76.2	Confident	76.3	Confident	61 Å²	61	61.4 Å²	61.4	33%	0.326	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.6	-173.4	-176	13.6	0	0	0	111.9	D551 C553 G568 I571	D551-N566 PolarHBondContact OD1-ND2 3.22Å; D551-N566 PolarHBondContact OD2-ND2 2.98Å; C553-N566 HydrophobicContact CB-CB 3.96Å; C553-N566 VanDerWaalsContact SG-CA 3.54Å; C553-N566 PolarHBondContact SG-N 3.25Å; N566-G568 PolarHBondContact OD1-N 3.24Å; N566-G568 PolarHBondContact OD1-O 3.08Å; N566-G568 VanDerWaalsContact OD1-O 3.1Å; N566-I571 PolarHBondContact OD1-O 2.69Å
567	M	73.3	Confident	76.8	Confident	132 Å²	132	64.8 Å²	64.8	65%	0.65	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	-7.7	-178.2	-68.6	-71.8	-155.5	0	0	114.3	I571 T573	M567-I571 HydrophobicContact CB-CG2 4.14Å; M567-I571 PolarHBondContact N-O 3.38Å; M567-T573 HydrophobicContact CE-CG2 3.77Å
568	G	71.1	Confident	76.7	Confident	20 Å²	20	69 Å²	69	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	179.1	178.2	0	0	0	0	0	114.2	N566 G570 I571	N566-G568 PolarHBondContact OD1-N 3.24Å; N566-G568 PolarHBondContact OD1-O 3.08Å; N566-G568 VanDerWaalsContact OD1-O 3.1Å; G568-G570 PolarHBondContact O-N 3.46Å; G568-I571 PolarHBondContact N-O 3Å; G568-I571 PolarHBondContact O-N 2.78Å
569	P	65.3	Low	76.2	Confident	91 Å²	91	67.3 Å²	67.3	59%	0.591	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	109.3	176.6	-16.6	29.5	0	0	0	109.7	P549 I550	P549-P569 HydrophobicContact CB-CB 4.23Å; I550-P569 CarbonylContact O-C 3.45Å; I550-P569 WeakPolarHBondContact O-CA 3.36Å
570	G	67	Low	76.2	Confident	30 Å²	30	67.2 Å²	67.2	31%	0.309	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	10.6	-174.6	0	0	0	0	0	117.8	I550 L552 G568	I550-G570 PolarHBondContact O-N 3.49Å; L552-G570 WeakPolarHBondContact CD1-O 3.05Å; G568-G570 PolarHBondContact O-N 3.46Å
571	I	75	Confident	76.2	Confident	106 Å²	106	74.8 Å²	74.8	54%	0.544	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.5	-171.4	-50.1	177.3	0	0	0	113.2	N566 M567 G568	N566-I571 PolarHBondContact OD1-O 2.69Å; M567-I571 HydrophobicContact CB-CG2 4.14Å; M567-I571 PolarHBondContact N-O 3.38Å; G568-I571 PolarHBondContact N-O 3Å; G568-I571 PolarHBondContact O-N 2.78Å
572	F	80.7	Confident	76.3	Confident	46 Å²	46	74.3 Å²	74.3	20%	0.202	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	173.3	-178.6	67.3	-89	0	0	0	115.4	L552 C553 H558 D559 C560 C564 V565	L552-F572 HydrophobicContact CB-CD1 4.06Å; L552-F572 HydrophobicContact CD1-CD1 4.05Å; L552-F572 HydrophobicContact CD1-CE1 4.13Å; C553-F572 VanDerWaalsContact SG-CB 3.5Å; H558-F572 HydrophobicContact CB-CD1 3.88Å; H558-F572 HydrophobicContact CB-CD2 3.69Å; H558-F572 HydrophobicContact CB-CE1 3.73Å; H558-F572 HydrophobicContact CB-CE2 3.53Å; H558-F572 HydrophobicContact CB-CG 3.88Å; H558-F572 HydrophobicContact CB-CZ 3.56Å; D559-F572 HydrophobicContact CB-CZ 4.44Å; D559-F572 WeakPolarHBondContact OD1-CE2 3.19Å; D559-F572 WeakPolarHBondContact OD1-CZ 3.48Å; C560-F572 WeakPolarHBondContact SG-CD2 3.18Å; C560-F572 VanDerWaalsContact SG-CE2 3.5Å; C564-F572 VanDerWaalsContact SG-CB 3.57Å; C564-F572 VanDerWaalsContact SG-CD2 3.56Å; V565-F572 CarbonylContact O-C 3.57Å; V565-F572 VanDerWaalsContact O-CA 3.29Å; V565-F572 WeakPolarHBondContact O-CA 3.48Å; V565-F572 WeakPolarHBondContact O-CB 3.38Å
573	T	80.9	Confident	76	Confident	54 Å²	54	75.2 Å²	75.2	33%	0.331	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	165.2	174.3	-165.6	0	0	0	0	113.8	C560 C564 V565 M567	C560-T573 PolarHBondContact SG-O 3.3Å; C560-T573 VanDerWaalsContact SG-O 3.36Å; C564-T573 CarbonylContact C-O 3.57Å; C564-T573 WeakPolarHBondContact CA-O 3.49Å; V565-T573 HydrophobicContact CB-CG2 3.83Å; V565-T573 HydrophobicContact CG1-CG2 4.44Å; V565-T573 PolarHBondContact N-O 3.48Å; V565-T573 PolarHBondContact O-N 3.25Å; M567-T573 HydrophobicContact CE-CG2 3.77Å
574	C	84.8	Confident	75.8	Confident	14 Å²	14	82 Å²	82	10%	0.095	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.4	-167.1	-48.9	0	0	0	0	118	C560 V563 E586	C560-C574 WeakPolarHBondContact CA-SG 3.34Å; C560-C574 HydrophobicContact CB-CB 3.43Å; C560-C574 VanDerWaalsContact CB-CB 3.43Å; C560-C574 WeakPolarHBondContact CB-SG 3.43Å; C560-C574 WeakPolarHBondContact SG-CA 3.02Å; C560-C574 WeakPolarHBondContact SG-CB 3.48Å; C560-C574 CovalentContact SG-SG 2.02Å; C560-C574 PolarHBondContact SG-SG 2.9Å; V563-C574 CarbonylContact O-C 3.55Å; V563-C574 WeakPolarHBondContact O-CA 3.48Å; C574-E586 WeakPolarHBondContact CB-O 3.49Å
575	D	81.4	Confident	75.5	Confident	93 Å²	93	84.6 Å²	84.6	50%	0.497	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	165.5	178.1	-167.5	13.7	0	0	0	113.7	H562 V563	H562-D575 WeakPolarHBondContact CB-O 3.49Å; V563-D575 HydrophobicContact CB-CB 4.14Å; V563-D575 WeakPolarHBondContact CB-O 3.43Å; V563-D575 PolarHBondContact N-O 3.45Å; V563-D575 PolarHBondContact O-N 3.34Å
576	C	82.2	Confident	75.1	Confident	26 Å²	26	87.8 Å²	87.8	18%	0.176	45%	0.446	C	S	.	.			trans	-116.6	147.7	-169	-60.8	0	0	0	0	118.2	L582 C589	C576-L582 WeakPolarHBondContact SG-CA 3.32Å; C576-L582 WeakPolarHBondContact SG-CB 3.46Å; C576-L582 WeakPolarHBondContact SG-CD1 3.36Å; C576-L582 PolarHBondContact SG-N 3.05Å; C576-L582 VanDerWaalsContact SG-N 3.36Å; C576-C589 WeakPolarHBondContact CA-SG 3.31Å; C576-C589 HydrophobicContact CB-CB 3.87Å; C576-C589 WeakPolarHBondContact CB-SG 3.05Å; C576-C589 VanDerWaalsContact SG-CA 3.59Å; C576-C589 WeakPolarHBondContact SG-CB 3.37Å; C576-C589 CovalentContact SG-SG 2.01Å; C576-C589 PolarHBondContact SG-SG 2.92Å
577	K	74.9	Confident	75	Confident	124 Å²	124	89 Å²	89	54%	0.539	45%	0.448	S	S	.	.			trans	-79.2	158	174.8	-67.5	169.4	-174.5	166.5	0	113.2	H562 Y580	H562-K577 HydrophobicContact CB-CD 4.42Å; H562-K577 HydrophobicContact CB-CG 4.15Å; H562-K577 PolarHBondContact ND1-N 2.73Å; H562-K577 VanDerWaalsContact ND1-N 3.16Å; K577-Y580 PolarHBondContact O-N 3.04Å
578	K	67.9	Low	75.1	Confident	209 Å²	209	84.6 Å²	84.6	91%	0.909	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	137.5	179	-77.3	-171.7	177.3	-178.1	0	112.6
579	G	66	Low	75.6	Confident	29 Å²	29	84 Å²	84	30%	0.299	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-0.4	-175.8	0	0	0	0	0	114.1	I592	G579-I592 PolarHBondContact O-N 2.91Å
580	Y	74.3	Confident	75.9	Confident	85 Å²	85	81.1 Å²	81.1	33%	0.333	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.1	-179.6	-64.2	-109.5	0	0	0	110.7	H562 K577 S590 A591 P610	H562-Y580 AromaticContact CE1-CD1 3.55Å; H562-Y580 AromaticContact CE1-CD2 3.84Å; H562-Y580 AromaticContact CE1-CG 3.44Å; H562-Y580 VanDerWaalsContact CE1-CG 3.44Å; K577-Y580 PolarHBondContact O-N 3.04Å; Y580-S590 CarbonylContact C-O 3.57Å; Y580-S590 WeakPolarHBondContact CA-O 3.44Å; Y580-S590 WeakPolarHBondContact CB-O 3.37Å; Y580-A591 HydrophobicContact CD1-CB 3.75Å; Y580-A591 HydrophobicContact CE1-CB 3.52Å; Y580-P610 HydrophobicContact CD2-CB 4.27Å; Y580-P610 HydrophobicContact CE1-CB 4.4Å; Y580-P610 HydrophobicContact CE1-CG 4.13Å; Y580-P610 HydrophobicContact CE2-CB 3.61Å; Y580-P610 HydrophobicContact CE2-CG 3.75Å; Y580-P610 WeakPolarHBondContact OH-CG 3.45Å
581	R	77.2	Confident	75.6	Confident	171 Å²	171	81.9 Å²	81.9	65%	0.645	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.9	178.3	65.3	-177.8	-178.8	178	0.8	111.1	N583 C589 S590	R581-N583 PolarHBondContact O-N 3.37Å; R581-N583 PolarHBondContact O-OD1 3.43Å; R581-C589 CarbonylContact O-C 3.51Å; R581-C589 VanDerWaalsContact O-CA 3.25Å; R581-C589 WeakPolarHBondContact O-CA 3.32Å; R581-S590 WeakPolarHBondContact CG-OG 3.21Å; R581-S590 PolarHBondContact N-O 3.13Å; R581-S590 PolarHBondContact NE-OG 2.81Å; R581-S590 VanDerWaalsContact NE-OG 3.09Å; R581-S590 PolarHBondContact O-N 2.88Å
582	L	79	Confident	75.2	Confident	76 Å²	76	80.1 Å²	80.1	40%	0.398	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.2	175.9	-168	68.3	0	0	0	109.2	C576	C576-L582 WeakPolarHBondContact SG-CA 3.32Å; C576-L582 WeakPolarHBondContact SG-CB 3.46Å; C576-L582 WeakPolarHBondContact SG-CD1 3.36Å; C576-L582 PolarHBondContact SG-N 3.05Å; C576-L582 VanDerWaalsContact SG-N 3.36Å
583	N	74.2	Confident	74.5	Confident	54 Å²	54	81.3 Å²	81.3	29%	0.289	41%	0.408	S	S	.	.			trans	-79.4	167.6	-179	-61.5	-25.7	0	0	0	110.4	R581 D585 E586 S588 S590	R581-N583 PolarHBondContact O-N 3.37Å; R581-N583 PolarHBondContact O-OD1 3.43Å; N583-D585 PolarHBondContact O-N 3.33Å; N583-D585 VanDerWaalsContact O-N 3.07Å; N583-E586 PolarHBondContact O-N 2.9Å; N583-E586 VanDerWaalsContact O-N 3.14Å; N583-S588 WeakPolarHBondContact CB-O 3.32Å; N583-S588 VanDerWaalsContact CG-O 3.31Å; N583-S588 PolarHBondContact N-O 2.99Å; N583-S588 WeakPolarHBondContact ND2-CB 3.48Å; N583-S588 PolarHBondContact ND2-O 3.03Å; N583-S590 WeakPolarHBondContact OD1-CB 3.37Å; N583-S590 PolarHBondContact OD1-N 3.16Å; N583-S590 PolarHBondContact OD1-OG 2.95Å
584	E	77.1	Confident	74	Confident	201 Å²	201	80.6 Å²	80.6	94%	0.939	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.1	-179.6	-69.6	-174.2	163.4	0	0	114.1	E586	E584-E586 PolarHBondContact O-N 3.37Å
585	D	75.4	Confident	73.3	Confident	81 Å²	81	81 Å²	81	43%	0.433	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.1	176.4	66.4	3.2	0	0	0	113.8	N583 K587 S588	N583-D585 PolarHBondContact O-N 3.33Å; N583-D585 VanDerWaalsContact O-N 3.07Å; D585-K587 WeakPolarHBondContact O-CG 3.26Å; D585-K587 PolarHBondContact O-N 3.47Å; D585-K587 PolarHBondContact OD1-N 3.04Å; D585-S588 PolarHBondContact OD1-N 3.16Å; D585-S588 WeakPolarHBondContact OD2-CB 3.39Å; D585-S588 PolarHBondContact OD2-OG 3.2Å
586	E	73	Confident	72.4	Confident	140 Å²	140	80.6 Å²	80.6	65%	0.654	42%	0.415	S	S	*	.	S	Bend	trans	57.8	14.6	-179.9	-57.1	-175.4	170.1	0	0	114.2	C574 N583 E584	C574-E586 WeakPolarHBondContact CB-O 3.49Å; N583-E586 PolarHBondContact O-N 2.9Å; N583-E586 VanDerWaalsContact O-N 3.14Å; E584-E586 PolarHBondContact O-N 3.37Å
587	K	74.7	Confident	71.8	Confident	87 Å²	87	84.3 Å²	84.3	38%	0.378	43%	0.429	S	S	.	.	S	Bend	trans	-130.5	-36.2	-174.8	-69.8	-179.2	172.8	-165.1	0	113.7	D559 D561 D585	D559-K587 WeakPolarHBondContact OD1-CE 3.36Å; D559-K587 IonicContact OD1-NZ 3.53Å; D559-K587 PolarHBondContact OD1-NZ 3.5Å; D559-K587 IonicContact OD2-NZ 3.38Å; D559-K587 PolarHBondContact OD2-NZ 2.97Å; D561-K587 WeakPolarHBondContact CB-O 3.49Å; D561-K587 PolarHBondContact N-O 3.29Å; D561-K587 VanDerWaalsContact N-O 3.08Å; D585-K587 WeakPolarHBondContact O-CG 3.26Å; D585-K587 PolarHBondContact O-N 3.47Å; D585-K587 PolarHBondContact OD1-N 3.04Å
588	S	75.8	Confident	71.1	Confident	39 Å²	39	81.1 Å²	81.1	27%	0.273	43%	0.432	S	S	.	.			trans	-105.3	147.8	-169.6	-51.3	0	0	0	0	112.5	N583 D585	N583-S588 WeakPolarHBondContact CB-O 3.32Å; N583-S588 VanDerWaalsContact CG-O 3.31Å; N583-S588 PolarHBondContact N-O 2.99Å; N583-S588 WeakPolarHBondContact ND2-CB 3.48Å; N583-S588 PolarHBondContact ND2-O 3.03Å; D585-S588 PolarHBondContact OD1-N 3.16Å; D585-S588 WeakPolarHBondContact OD2-CB 3.39Å; D585-S588 PolarHBondContact OD2-OG 3.2Å
589	C	79.8	Confident	71.3	Confident	9 Å²	9	77.7 Å²	77.7	6%	0.061	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.6	-176.9	-60.2	0	0	0	0	110.9	D561 H562 C576 R581	D561-C589 HydrophobicContact CB-CB 4.45Å; D561-C589 WeakPolarHBondContact OD2-CA 3.33Å; D561-C589 WeakPolarHBondContact OD2-CB 3.43Å; D561-C589 PolarHBondContact OD2-N 3.48Å; H562-C589 WeakPolarHBondContact CE1-CB 3.42Å; H562-C589 WeakPolarHBondContact ND1-CB 3.48Å; H562-C589 PolarHBondContact ND1-SG 3.42Å; C576-C589 WeakPolarHBondContact CA-SG 3.31Å; C576-C589 HydrophobicContact CB-CB 3.87Å; C576-C589 WeakPolarHBondContact CB-SG 3.05Å; C576-C589 VanDerWaalsContact SG-CA 3.59Å; C576-C589 WeakPolarHBondContact SG-CB 3.37Å; C576-C589 CovalentContact SG-SG 2.01Å; C576-C589 PolarHBondContact SG-SG 2.92Å; R581-C589 CarbonylContact O-C 3.51Å; R581-C589 VanDerWaalsContact O-CA 3.25Å; R581-C589 WeakPolarHBondContact O-CA 3.32Å
590	S	72.1	Confident	71.8	Confident	30 Å²	30	79.6 Å²	79.6	21%	0.21	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.1	176.6	52.9	0	0	0	0	112.7	Y580 R581 N583	Y580-S590 CarbonylContact C-O 3.57Å; Y580-S590 WeakPolarHBondContact CA-O 3.44Å; Y580-S590 WeakPolarHBondContact CB-O 3.37Å; R581-S590 WeakPolarHBondContact CG-OG 3.21Å; R581-S590 PolarHBondContact N-O 3.13Å; R581-S590 PolarHBondContact NE-OG 2.81Å; R581-S590 VanDerWaalsContact NE-OG 3.09Å; R581-S590 PolarHBondContact O-N 2.88Å; N583-S590 WeakPolarHBondContact OD1-CB 3.37Å; N583-S590 PolarHBondContact OD1-N 3.16Å; N583-S590 PolarHBondContact OD1-OG 2.95Å
591	A	60.9	Low	71.9	Confident	46 Å²	46	79.1 Å²	79.1	38%	0.38	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	143.9	173.8	0	0	0	0	0	111.1	Y580 D593 P610	Y580-A591 HydrophobicContact CD1-CB 3.75Å; Y580-A591 HydrophobicContact CE1-CB 3.52Å; A591-D593 PolarHBondContact O-N 2.85Å; A591-P610 HydrophobicContact CB-CB 3.91Å; A591-P610 HydrophobicContact CB-CG 3.91Å
592	I	67	Low	72.1	Confident	69 Å²	69	71.9 Å²	71.9	35%	0.354	40%	0.396	S	S	.	.			trans	-82.9	112.4	171.1	-58.4	170.3	0	0	0	108.5	G579 P610 G611	G579-I592 PolarHBondContact O-N 2.91Å; I592-P610 WeakPolarHBondContact O-CA 3.43Å; I592-G611 PolarHBondContact O-N 3.48Å
593	D	66.1	Low	72	Confident	70 Å²	70	73.5 Å²	73.5	37%	0.374	40%	0.402	S	S	.	.			trans	-100.8	112.3	-175.9	-172.6	-33.1	0	0	0	111.5	A591 C595 A596 S608	A591-D593 PolarHBondContact O-N 2.85Å; D593-C595 WeakPolarHBondContact OD1-CA 3.32Å; D593-C595 WeakPolarHBondContact OD1-CB 3.23Å; D593-C595 PolarHBondContact OD1-N 3.35Å; D593-A596 HydrophobicContact CB-CB 4.08Å; D593-A596 PolarHBondContact OD1-N 2.99Å; D593-S608 WeakPolarHBondContact OD1-CB 2.85Å; D593-S608 PolarHBondContact OD1-OG 3Å
594	L	69.6	Low	72.3	Confident	40 Å²	40	73.7 Å²	73.7	21%	0.209	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.4	-178.3	-68.5	172.9	0	0	0	113.3	K599 S608 G611	L594-K599 PolarHBondContact O-N 3Å; L594-S608 PolarHBondContact N-OG 3.1Å; L594-G611 VanDerWaalsContact CD1-C 3.42Å; L594-G611 WeakPolarHBondContact CD1-O 3.35Å
595	C	71	Confident	72.3	Confident	22 Å²	22	66.6 Å²	66.6	15%	0.149	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-43	174.7	-61.4	0	0	0	0	110.3	D593 E597 G598 C606 I607 S608	D593-C595 WeakPolarHBondContact OD1-CA 3.32Å; D593-C595 WeakPolarHBondContact OD1-CB 3.23Å; D593-C595 PolarHBondContact OD1-N 3.35Å; C595-E597 VanDerWaalsContact C-N 3.25Å; C595-E597 PolarHBondContact O-N 3.25Å; C595-G598 PolarHBondContact O-N 2.97Å; C595-C606 HydrophobicContact CB-CB 3.88Å; C595-C606 WeakPolarHBondContact CB-SG 2.93Å; C595-C606 WeakPolarHBondContact SG-CB 3.25Å; C595-C606 CovalentContact SG-SG 2.05Å; C595-C606 PolarHBondContact SG-SG 3.26Å; C595-I607 VanDerWaalsContact SG-C 3.58Å; C595-S608 VanDerWaalsContact SG-CA 3.58Å; C595-S608 VanDerWaalsContact SG-CB 3.51Å; C595-S608 PolarHBondContact SG-N 3.37Å
596	A	62.7	Low	72.5	Confident	85 Å²	85	64 Å²	64	70%	0.702	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.6	177.6	0	0	0	0	0	113.3	D593 G598	D593-A596 HydrophobicContact CB-CB 4.08Å; D593-A596 PolarHBondContact OD1-N 2.99Å; A596-G598 VanDerWaalsContact C-N 3.3Å
597	E	69.3	Low	72.8	Confident	104 Å²	104	60.6 Å²	60.6	49%	0.486	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.9	174.2	-70.6	-172.9	-159.6	0	0	114	C595 K599	C595-E597 VanDerWaalsContact C-N 3.25Å; C595-E597 PolarHBondContact O-N 3.25Å; E597-K599 PolarHBondContact O-N 2.92Å; E597-K599 IonicContact OE2-NZ 2.71Å; E597-K599 PolarHBondContact OE2-NZ 3.32Å
598	G	59.4	Low	72.4	Confident	57 Å²	57	57.9 Å²	57.9	59%	0.588	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	21.1	178.1	0	0	0	0	0	115.1	C595 A596	C595-G598 PolarHBondContact O-N 2.97Å; A596-G598 VanDerWaalsContact C-N 3.3Å
599	K	72.2	Confident	72.1	Confident	136 Å²	136	59 Å²	59	59%	0.591	34%	0.34	S	S	*	.			trans	-102.6	55.1	-176.6	-65.7	176.8	-173	148.7	0	112.3	L594 E597	L594-K599 PolarHBondContact O-N 3Å; E597-K599 PolarHBondContact O-N 2.92Å; E597-K599 IonicContact OE2-NZ 2.71Å; E597-K599 PolarHBondContact OE2-NZ 3.32Å
600	H	76.4	Confident	71.2	Confident	70 Å²	70	61.1 Å²	61.1	32%	0.324	35%	0.353	S	S	.	.			trans	-147.1	166.9	179.8	69	90.9	0	0	0	112.9	C606 F613	H600-C606 VanDerWaalsContact CB-SG 3.54Å; H600-C606 PolarHBondContact CD2-SG 3.19Å; H600-C606 WeakPolarHBondContact CE1-CB 3.06Å; H600-C606 WeakPolarHBondContact ND1-CB 3.26Å; H600-C606 PolarHBondContact ND1-SG 3.4Å; H600-C606 VanDerWaalsContact ND1-SG 3.4Å; H600-F613 HydrophobicContact CB-CD1 4.1Å; H600-F613 HydrophobicContact CB-CD2 3.72Å; H600-F613 HydrophobicContact CB-CE1 4.02Å; H600-F613 HydrophobicContact CB-CE2 3.65Å; H600-F613 HydrophobicContact CB-CG 3.96Å; H600-F613 HydrophobicContact CB-CZ 3.8Å
601	D	78.1	Confident	70.6	Confident	74 Å²	74	61.4 Å²	61.4	40%	0.396	36%	0.361	S	S	.	.			trans	-129.6	44	-174.4	57.2	2.3	0	0	0	114.3	R628	D601-R628 VanDerWaalsContact CG-NH1 3.33Å; D601-R628 VanDerWaalsContact CG-NH2 3.28Å; D601-R628 IonicContact OD1-CZ 3.36Å; D601-R628 IonicContact OD1-NE 3.16Å; D601-R628 IonicContact OD1-NH1 2.73Å; D601-R628 IonicContact OD1-NH2 2.77Å; D601-R628 PolarHBondContact OD1-NH2 2.97Å; D601-R628 VanDerWaalsContact OD1-NH2 3.17Å; D601-R628 IonicContact OD2-CZ 2.71Å; D601-R628 IonicContact OD2-NE 3.17Å; D601-R628 IonicContact OD2-NH1 3.76Å; D601-R628 PolarHBondContact OD2-NH1 3.01Å; D601-R628 IonicContact OD2-NH2 2.68Å; D601-R628 PolarHBondContact OD2-NH2 3.34Å
602	C	80.1	Confident	71	Confident	20 Å²	20	63.5 Å²	63.5	14%	0.135	37%	0.369	C	S	.	.			trans	-91.6	140.5	178	-55.7	0	0	0	0	111.9	C606 C615	C602-C606 HydrophobicContact CB-CB 4.19Å; C602-C615 WeakPolarHBondContact CA-SG 3.23Å; C602-C615 HydrophobicContact CB-CB 3.54Å; C602-C615 WeakPolarHBondContact CB-SG 3.44Å; C602-C615 WeakPolarHBondContact SG-CA 3.47Å; C602-C615 WeakPolarHBondContact SG-CB 3.41Å; C602-C615 CovalentContact SG-SG 2.03Å; C602-C615 PolarHBondContact SG-SG 3.34Å
603	E	78	Confident	71.5	Confident	109 Å²	109	63.5 Å²	63.5	51%	0.509	37%	0.366	S	S	.	.	S	Bend	trans	-71.6	-45.3	178.4	-172.8	-168.9	161.9	0	0	112.7	R628 T629 C630	E603-R628 WeakPolarHBondContact CB-O 3.32Å; E603-R628 PolarHBondContact N-O 2.75Å; E603-T629 HydrophobicContact CB-CG2 4.31Å; E603-T629 VanDerWaalsContact OE2-C 3.31Å; E603-T629 WeakPolarHBondContact OE2-CA 2.97Å; E603-T629 WeakPolarHBondContact OE2-CB 3.4Å; E603-T629 VanDerWaalsContact OE2-CG2 3.31Å; E603-T629 WeakPolarHBondContact OE2-CG2 3.33Å; E603-C630 PolarHBondContact OE2-N 2.96Å
604	Q	78.7	Confident	72.2	Confident	59 Å²	59	64 Å²	64	28%	0.276	37%	0.372	S	S	.	.	S	Bend	trans	-116.9	-78.6	-176	-64.9	-172	-7.9	0	0	111.9	C630	Q604-C630 VanDerWaalsContact CD-SG 3.57Å; Q604-C630 HydrophobicContact CG-CB 4.01Å; Q604-C630 PolarHBondContact OE1-SG 1.98Å; Q604-C630 VanDerWaalsContact OE1-SG 3.42Å
605	I	78.8	Confident	72.8	Confident	52 Å²	52	63 Å²	63	27%	0.267	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.5	-176	-53.2	-177.4	0	0	0	109.4	I607 C615 D616 C617 N618	I605-I607 HydrophobicContact CG2-CG1 3.83Å; I605-C615 CarbonylContact O-C 3.59Å; I605-C615 VanDerWaalsContact O-CA 3.24Å; I605-C615 WeakPolarHBondContact O-CA 3.33Å; I605-D616 WeakPolarHBondContact CA-O 3.04Å; I605-D616 HydrophobicContact CB-CB 4.13Å; I605-D616 VanDerWaalsContact CB-O 3.32Å; I605-D616 WeakPolarHBondContact CB-O 3.46Å; I605-D616 HydrophobicContact CG2-CB 4.37Å; I605-D616 PolarHBondContact N-O 2.74Å; I605-D616 PolarHBondContact O-N 3.07Å; I605-C617 VanDerWaalsContact CD1-C 3.44Å; I605-C617 WeakPolarHBondContact CD1-O 3.36Å; I605-N618 VanDerWaalsContact CD1-OD1 3.31Å; I605-N618 WeakPolarHBondContact CD1-OD1 3.47Å; I605-N618 VanDerWaalsContact CG1-OD1 3.28Å; I605-N618 WeakPolarHBondContact CG1-OD1 3.04Å
606	C	79.4	Confident	73.3	Confident	25 Å²	25	65.4 Å²	65.4	17%	0.169	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.7	163.4	-176.5	0	0	0	0	108.8	C595 H600 C602	C595-C606 HydrophobicContact CB-CB 3.88Å; C595-C606 WeakPolarHBondContact CB-SG 2.93Å; C595-C606 WeakPolarHBondContact SG-CB 3.25Å; C595-C606 CovalentContact SG-SG 2.05Å; C595-C606 PolarHBondContact SG-SG 3.26Å; H600-C606 VanDerWaalsContact CB-SG 3.54Å; H600-C606 PolarHBondContact CD2-SG 3.19Å; H600-C606 WeakPolarHBondContact CE1-CB 3.06Å; H600-C606 WeakPolarHBondContact ND1-CB 3.26Å; H600-C606 PolarHBondContact ND1-SG 3.4Å; H600-C606 VanDerWaalsContact ND1-SG 3.4Å; C602-C606 HydrophobicContact CB-CB 4.19Å
607	I	79	Confident	74.1	Confident	70 Å²	70	62 Å²	62	36%	0.359	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	106.5	175.6	-54.9	179.7	0	0	0	106.8	C595 I605 F613 T614 D616	C595-I607 VanDerWaalsContact SG-C 3.58Å; I605-I607 HydrophobicContact CG2-CG1 3.83Å; I607-F613 WeakPolarHBondContact O-CA 3.38Å; I607-T614 WeakPolarHBondContact CA-O 3.24Å; I607-T614 WeakPolarHBondContact CB-O 3.41Å; I607-T614 PolarHBondContact N-O 3.04Å; I607-T614 PolarHBondContact O-N 2.71Å; I607-T614 PolarHBondContact O-OG1 2.92Å; I607-D616 HydrophobicContact CD1-CB 3.57Å; I607-D616 HydrophobicContact CG1-CB 4.2Å
608	S	66.7	Low	74	Confident	29 Å²	29	60.8 Å²	60.8	20%	0.203	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.8	173.8	-155.6	0	0	0	0	109	D593 L594 C595 V612	D593-S608 WeakPolarHBondContact OD1-CB 2.85Å; D593-S608 PolarHBondContact OD1-OG 3Å; L594-S608 PolarHBondContact N-OG 3.1Å; C595-S608 VanDerWaalsContact SG-CA 3.58Å; C595-S608 VanDerWaalsContact SG-CB 3.51Å; C595-S608 PolarHBondContact SG-N 3.37Å; S608-V612 PolarHBondContact OG-O 3.29Å
609	T	68.8	Low	73.9	Confident	64 Å²	64	67.3 Å²	67.3	39%	0.393	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	158.3	155.8	35.2	0	0	0	0	107.8	G611 V612	T609-G611 PolarHBondContact O-N 3.15Å; T609-V612 CarbonylContact C-O 3.58Å; T609-V612 PolarHBondContact N-O 3.13Å; T609-V612 PolarHBondContact O-N 3.46Å; T609-V612 WeakPolarHBondContact OG1-CG2 3.24Å; T609-V612 PolarHBondContact OG1-O 3.06Å
610	P	61.2	Low	73.3	Confident	52 Å²	52	61.2 Å²	61.2	34%	0.338	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	107.2	-176.1	-18.6	21.8	0	0	0	111.5	Y580 A591 I592	Y580-P610 HydrophobicContact CD2-CB 4.27Å; Y580-P610 HydrophobicContact CE1-CB 4.4Å; Y580-P610 HydrophobicContact CE1-CG 4.13Å; Y580-P610 HydrophobicContact CE2-CB 3.61Å; Y580-P610 HydrophobicContact CE2-CG 3.75Å; Y580-P610 WeakPolarHBondContact OH-CG 3.45Å; A591-P610 HydrophobicContact CB-CB 3.91Å; A591-P610 HydrophobicContact CB-CG 3.91Å; I592-P610 WeakPolarHBondContact O-CA 3.43Å
611	G	58.6	Low	73.1	Confident	37 Å²	37	60.1 Å²	60.1	38%	0.381	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	2.5	-177.8	0	0	0	0	0	118.2	I592 L594 T609	I592-G611 PolarHBondContact O-N 3.48Å; L594-G611 VanDerWaalsContact CD1-C 3.42Å; L594-G611 WeakPolarHBondContact CD1-O 3.35Å; T609-G611 PolarHBondContact O-N 3.15Å
612	V	69.7	Low	72.9	Confident	89 Å²	89	63 Å²	63	54%	0.539	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	165.6	173.6	-61.8	0	0	0	0	112.4	S608 T609	S608-V612 PolarHBondContact OG-O 3.29Å; T609-V612 CarbonylContact C-O 3.58Å; T609-V612 PolarHBondContact N-O 3.13Å; T609-V612 PolarHBondContact O-N 3.46Å; T609-V612 WeakPolarHBondContact OG1-CG2 3.24Å; T609-V612 PolarHBondContact OG1-O 3.06Å
613	F	78.4	Confident	72.9	Confident	69 Å²	69	64.7 Å²	64.7	30%	0.303	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.4	-179.7	77.2	-91.6	0	0	0	114.5	H600 I607	H600-F613 HydrophobicContact CB-CD1 4.1Å; H600-F613 HydrophobicContact CB-CD2 3.72Å; H600-F613 HydrophobicContact CB-CE1 4.02Å; H600-F613 HydrophobicContact CB-CE2 3.65Å; H600-F613 HydrophobicContact CB-CG 3.96Å; H600-F613 HydrophobicContact CB-CZ 3.8Å; I607-F613 WeakPolarHBondContact O-CA 3.38Å
614	T	79.6	Confident	72.9	Confident	82 Å²	82	62.1 Å²	62.1	50%	0.503	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.6	174.7	48.1	0	0	0	0	110.9	I607	I607-T614 WeakPolarHBondContact CA-O 3.24Å; I607-T614 WeakPolarHBondContact CB-O 3.41Å; I607-T614 PolarHBondContact N-O 3.04Å; I607-T614 PolarHBondContact O-N 2.71Å; I607-T614 PolarHBondContact O-OG1 2.92Å
615	C	83.3	Confident	72.9	Confident	19 Å²	19	71.3 Å²	71.3	13%	0.128	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	150.5	-180	-47.4	0	0	0	0	113.3	C602 I605 L623 K627	C602-C615 WeakPolarHBondContact CA-SG 3.23Å; C602-C615 HydrophobicContact CB-CB 3.54Å; C602-C615 WeakPolarHBondContact CB-SG 3.44Å; C602-C615 WeakPolarHBondContact SG-CA 3.47Å; C602-C615 WeakPolarHBondContact SG-CB 3.41Å; C602-C615 CovalentContact SG-SG 2.03Å; C602-C615 PolarHBondContact SG-SG 3.34Å; I605-C615 CarbonylContact O-C 3.59Å; I605-C615 VanDerWaalsContact O-CA 3.24Å; I605-C615 WeakPolarHBondContact O-CA 3.33Å; C615-L623 WeakPolarHBondContact O-CD2 3.35Å; C615-K627 VanDerWaalsContact CB-O 3.29Å; C615-K627 WeakPolarHBondContact CB-O 3.29Å
616	D	80.4	Confident	72.8	Confident	72 Å²	72	72.6 Å²	72.6	39%	0.385	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	177.2	177	-158.3	4.6	0	0	0	111.4	I605 I607	I605-D616 WeakPolarHBondContact CA-O 3.04Å; I605-D616 HydrophobicContact CB-CB 4.13Å; I605-D616 VanDerWaalsContact CB-O 3.32Å; I605-D616 WeakPolarHBondContact CB-O 3.46Å; I605-D616 HydrophobicContact CG2-CB 4.37Å; I605-D616 PolarHBondContact N-O 2.74Å; I605-D616 PolarHBondContact O-N 3.07Å; I607-D616 HydrophobicContact CD1-CB 3.57Å; I607-D616 HydrophobicContact CG1-CB 4.2Å
617	C	79.7	Confident	72.7	Confident	12 Å²	12	79 Å²	79	8%	0.081	40%	0.4	C	S	.	.			trans	-117.7	152	-178.3	-59.6	0	0	0	0	113.6	I605 F621 K622 L623 C630	I605-C617 VanDerWaalsContact CD1-C 3.44Å; I605-C617 WeakPolarHBondContact CD1-O 3.36Å; C617-F621 HydrophobicContact CB-CB 3.96Å; C617-K622 VanDerWaalsContact SG-C 3.59Å; C617-L623 WeakPolarHBondContact SG-CA 3.41Å; C617-L623 WeakPolarHBondContact SG-CB 3.4Å; C617-L623 WeakPolarHBondContact SG-CD1 3.48Å; C617-L623 PolarHBondContact SG-N 2.92Å; C617-C630 WeakPolarHBondContact CA-SG 3.5Å; C617-C630 HydrophobicContact CB-CB 3.77Å; C617-C630 WeakPolarHBondContact CB-SG 3.45Å; C617-C630 VanDerWaalsContact SG-CA 3.57Å; C617-C630 WeakPolarHBondContact SG-CB 3.43Å; C617-C630 CovalentContact SG-SG 2.01Å; C617-C630 PolarHBondContact SG-SG 3.46Å
618	N	66.8	Low	72.7	Confident	79 Å²	79	81.1 Å²	81.1	42%	0.422	40%	0.404	S	S	.	.			trans	-62	153.2	174.1	-69	-37	0	0	0	111.6	I605 G620 F621	I605-N618 VanDerWaalsContact CD1-OD1 3.31Å; I605-N618 WeakPolarHBondContact CD1-OD1 3.47Å; I605-N618 VanDerWaalsContact CG1-OD1 3.28Å; I605-N618 WeakPolarHBondContact CG1-OD1 3.04Å; N618-G620 PolarHBondContact O-N 2.97Å; N618-F621 HydrophobicContact CB-CD2 4.14Å; N618-F621 WeakPolarHBondContact O-CA 3.34Å; N618-F621 WeakPolarHBondContact O-CB 3.31Å; N618-F621 PolarHBondContact O-N 3.09Å
619	K	58.6	Low	73.2	Confident	194 Å²	194	81.8 Å²	81.8	84%	0.843	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	137.6	176.2	-76.7	-177.9	178.8	175.4	0	110.3	F621	K619-F621 VanDerWaalsContact C-N 3.28Å
620	G	60.1	Low	73.8	Confident	8 Å²	8	79.4 Å²	79.4	8%	0.082	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	8.5	-172.2	0	0	0	0	0	113.9	N618 N632 M633	N618-G620 PolarHBondContact O-N 2.97Å; G620-N632 CarbonylContact O-C 2.8Å; G620-M633 WeakPolarHBondContact O-CA 3.44Å; G620-M633 WeakPolarHBondContact O-CB 3.1Å; G620-M633 PolarHBondContact O-N 3.13Å
621	F	71.4	Confident	74.5	Confident	47 Å²	47	80.2 Å²	80.2	21%	0.206	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.7	169.5	-63.8	-105.4	0	0	0	111.2	C617 N618 K619 C630 T631 N632 P651	C617-F621 HydrophobicContact CB-CB 3.96Å; N618-F621 HydrophobicContact CB-CD2 4.14Å; N618-F621 WeakPolarHBondContact O-CA 3.34Å; N618-F621 WeakPolarHBondContact O-CB 3.31Å; N618-F621 PolarHBondContact O-N 3.09Å; K619-F621 VanDerWaalsContact C-N 3.28Å; F621-C630 HydrophobicContact CB-CB 4.24Å; F621-T631 CarbonylContact C-O 3.56Å; F621-T631 WeakPolarHBondContact CA-O 3.38Å; F621-N632 HydrophobicContact CD1-CB 4.01Å; F621-N632 HydrophobicContact CE1-CB 3.71Å; F621-N632 VanDerWaalsContact CE1-ND2 3.34Å; F621-N632 WeakPolarHBondContact CE1-ND2 3.5Å; F621-N632 HydrophobicContact CZ-CB 4.32Å; F621-N632 WeakPolarHBondContact CZ-ND2 3.47Å; F621-P651 HydrophobicContact CZ-CB 4.44Å
622	K	74.8	Confident	74.8	Confident	136 Å²	136	82 Å²	82	59%	0.591	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.8	-178.8	-177	176.5	174.1	177.6	0	110.9	C617 C630 T631	C617-K622 VanDerWaalsContact SG-C 3.59Å; K622-C630 WeakPolarHBondContact O-CA 3.05Å; K622-T631 PolarHBondContact N-O 3.35Å; K622-T631 PolarHBondContact O-N 3.16Å; K622-T631 PolarHBondContact O-OG1 3.4Å
623	L	79.6	Confident	74.3	Confident	54 Å²	54	81.9 Å²	81.9	28%	0.283	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.1	179.5	-166.9	71.3	0	0	0	111.6	C615 C617	C615-L623 WeakPolarHBondContact O-CD2 3.35Å; C617-L623 WeakPolarHBondContact SG-CA 3.41Å; C617-L623 WeakPolarHBondContact SG-CB 3.4Å; C617-L623 WeakPolarHBondContact SG-CD1 3.48Å; C617-L623 PolarHBondContact SG-N 2.92Å
624	N	76.6	Confident	73.5	Confident	55 Å²	55	82.1 Å²	82.1	29%	0.294	40%	0.396	S	S	.	.			trans	-75	167.5	180	-70.2	-32.4	0	0	0	111.5	D626 K627 T629 T631	N624-D626 PolarHBondContact O-N 2.83Å; N624-D626 VanDerWaalsContact O-N 3.14Å; N624-K627 PolarHBondContact O-N 3.07Å; N624-T629 VanDerWaalsContact CB-O 3.26Å; N624-T629 WeakPolarHBondContact CB-O 3.31Å; N624-T629 WeakPolarHBondContact CB-OG1 3.38Å; N624-T629 PolarHBondContact N-O 2.98Å; N624-T629 PolarHBondContact ND2-O 2.98Å; N624-T629 PolarHBondContact ND2-OG1 3.17Å; N624-T631 WeakPolarHBondContact OD1-CG2 3.47Å
625	R	78.7	Confident	72.7	Confident	253 Å²	253	80.6 Å²	80.6	96%	0.955	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.8	-176.4	-73.5	-175.7	176.5	171.7	0	114.2	K627	R625-K627 PolarHBondContact O-N 2.08Å
626	D	78.3	Confident	71.9	Confident	78 Å²	78	80.9 Å²	80.9	42%	0.417	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.6	175.5	63.9	2.1	0	0	0	113.3	N624 R628 T629	N624-D626 PolarHBondContact O-N 2.83Å; N624-D626 VanDerWaalsContact O-N 3.14Å; D626-R628 PolarHBondContact O-N 3.29Å; D626-R628 PolarHBondContact OD1-N 3.19Å; D626-T629 PolarHBondContact OD1-N 2.02Å; D626-T629 PolarHBondContact OD1-OG1 3.46Å; D626-T629 VanDerWaalsContact OD1-OG1 3.12Å; D626-T629 WeakPolarHBondContact OD2-CB 3.19Å; D626-T629 WeakPolarHBondContact OD2-CG2 3.26Å; D626-T629 PolarHBondContact OD2-OG1 2.94Å
627	K	76.4	Confident	71.1	Confident	159 Å²	159	83.8 Å²	83.8	69%	0.691	40%	0.401	S	S	*	.	S	Bend	trans	56.2	27.1	-175.1	-56.5	-177.7	176.7	-176.9	0	112.9	C615 N624 R625	C615-K627 VanDerWaalsContact CB-O 3.29Å; C615-K627 WeakPolarHBondContact CB-O 3.29Å; N624-K627 PolarHBondContact O-N 3.07Å; R625-K627 PolarHBondContact O-N 2.08Å
628	R	78.2	Confident	70.1	Confident	116 Å²	116	86.6 Å²	86.6	44%	0.438	42%	0.418	S	S	.	.	S	Bend	trans	-135.1	-32.4	-178	-68.1	177.4	-178.7	-151.7	-16.2	113.1	D601 E603 D626	D601-R628 VanDerWaalsContact CG-NH1 3.33Å; D601-R628 VanDerWaalsContact CG-NH2 3.28Å; D601-R628 IonicContact OD1-CZ 3.36Å; D601-R628 IonicContact OD1-NE 3.16Å; D601-R628 IonicContact OD1-NH1 2.73Å; D601-R628 IonicContact OD1-NH2 2.77Å; D601-R628 PolarHBondContact OD1-NH2 2.97Å; D601-R628 VanDerWaalsContact OD1-NH2 3.17Å; D601-R628 IonicContact OD2-CZ 2.71Å; D601-R628 IonicContact OD2-NE 3.17Å; D601-R628 IonicContact OD2-NH1 3.76Å; D601-R628 PolarHBondContact OD2-NH1 3.01Å; D601-R628 IonicContact OD2-NH2 2.68Å; D601-R628 PolarHBondContact OD2-NH2 3.34Å; E603-R628 WeakPolarHBondContact CB-O 3.32Å; E603-R628 PolarHBondContact N-O 2.75Å; D626-R628 PolarHBondContact O-N 3.29Å; D626-R628 PolarHBondContact OD1-N 3.19Å
629	T	77.6	Confident	69.3	Low	43 Å²	43	90 Å²	90	26%	0.264	44%	0.442	S	S	.	.			trans	-113.3	161	-173.4	61.1	0	0	0	0	114.8	E603 N624 D626	E603-T629 HydrophobicContact CB-CG2 4.31Å; E603-T629 VanDerWaalsContact OE2-C 3.31Å; E603-T629 WeakPolarHBondContact OE2-CA 2.97Å; E603-T629 WeakPolarHBondContact OE2-CB 3.4Å; E603-T629 VanDerWaalsContact OE2-CG2 3.31Å; E603-T629 WeakPolarHBondContact OE2-CG2 3.33Å; N624-T629 VanDerWaalsContact CB-O 3.26Å; N624-T629 WeakPolarHBondContact CB-O 3.31Å; N624-T629 WeakPolarHBondContact CB-OG1 3.38Å; N624-T629 PolarHBondContact N-O 2.98Å; N624-T629 PolarHBondContact ND2-O 2.98Å; N624-T629 PolarHBondContact ND2-OG1 3.17Å; D626-T629 PolarHBondContact OD1-N 2.02Å; D626-T629 PolarHBondContact OD1-OG1 3.46Å; D626-T629 VanDerWaalsContact OD1-OG1 3.12Å; D626-T629 WeakPolarHBondContact OD2-CB 3.19Å; D626-T629 WeakPolarHBondContact OD2-CG2 3.26Å; D626-T629 PolarHBondContact OD2-OG1 2.94Å
630	C	81.6	Confident	69.3	Low	13 Å²	13	90.1 Å²	90.1	9%	0.088	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.5	-167.3	-61.2	0	0	0	0	115.8	E603 Q604 C617 F621 K622	E603-C630 PolarHBondContact OE2-N 2.96Å; Q604-C630 VanDerWaalsContact CD-SG 3.57Å; Q604-C630 HydrophobicContact CG-CB 4.01Å; Q604-C630 PolarHBondContact OE1-SG 1.98Å; Q604-C630 VanDerWaalsContact OE1-SG 3.42Å; C617-C630 WeakPolarHBondContact CA-SG 3.5Å; C617-C630 HydrophobicContact CB-CB 3.77Å; C617-C630 WeakPolarHBondContact CB-SG 3.45Å; C617-C630 VanDerWaalsContact SG-CA 3.57Å; C617-C630 WeakPolarHBondContact SG-CB 3.43Å; C617-C630 CovalentContact SG-SG 2.01Å; C617-C630 PolarHBondContact SG-SG 3.46Å; F621-C630 HydrophobicContact CB-CB 4.24Å; K622-C630 WeakPolarHBondContact O-CA 3.05Å
631	T	76	Confident	69.5	Low	69 Å²	69	92.3 Å²	92.3	42%	0.423	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.8	178.3	58.3	0	0	0	0	115	F621 K622 N624	F621-T631 CarbonylContact C-O 3.56Å; F621-T631 WeakPolarHBondContact CA-O 3.38Å; K622-T631 PolarHBondContact N-O 3.35Å; K622-T631 PolarHBondContact O-N 3.16Å; K622-T631 PolarHBondContact O-OG1 3.4Å; N624-T631 WeakPolarHBondContact OD1-CG2 3.47Å
632	N	65.3	Low	69.2	Low	74 Å²	74	92.4 Å²	92.4	40%	0.396	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.6	-172.4	-155	-54.3	0	0	0	115.6	G620 F621 P651 G652	G620-N632 CarbonylContact O-C 2.8Å; F621-N632 HydrophobicContact CD1-CB 4.01Å; F621-N632 HydrophobicContact CE1-CB 3.71Å; F621-N632 VanDerWaalsContact CE1-ND2 3.34Å; F621-N632 WeakPolarHBondContact CE1-ND2 3.5Å; F621-N632 HydrophobicContact CZ-CB 4.32Å; F621-N632 WeakPolarHBondContact CZ-ND2 3.47Å; N632-P651 WeakPolarHBondContact ND2-CA 3.08Å; N632-P651 WeakPolarHBondContact ND2-CB 3.37Å; N632-G652 PolarHBondContact OD1-N 3.43Å
633	M	58.6	Low	69.1	Low	87 Å²	87	86.9 Å²	86.9	43%	0.429	44%	0.443	S	S	.	.			trans	-117.8	134.1	176	-66.4	-170.8	-79	0	0	111.1	G620	G620-M633 WeakPolarHBondContact O-CA 3.44Å; G620-M633 WeakPolarHBondContact O-CB 3.1Å; G620-M633 PolarHBondContact O-N 3.13Å
634	D	62.3	Low	68.9	Low	75 Å²	75	89.5 Å²	89.5	40%	0.401	46%	0.457	S	S	.	.			trans	-80	116	178	-180	-3.7	0	0	0	112	C636 N637 N649	D634-C636 PolarHBondContact OD1-N 3.04Å; D634-N637 PolarHBondContact OD2-ND2 3.24Å; D634-N649 WeakPolarHBondContact OD1-CB 3.35Å; D634-N649 PolarHBondContact OD1-ND2 3.26Å; D634-N649 VanDerWaalsContact OD1-ND2 3.14Å; D634-N649 PolarHBondContact OD1-OD1 3.01Å
635	M	62.3	Low	68.9	Low	50 Å²	50	93.8 Å²	93.8	25%	0.246	47%	0.47	C	S	.	.	S	Bend	trans	-94.2	-24.8	-167.4	-63.4	-83.2	-82.8	0	0	113.5	N637 T638 N649 Y654	M635-N637 PolarHBondContact O-N 2.6Å; M635-T638 PolarHBondContact O-N 2.66Å; M635-T638 PolarHBondContact O-OG1 2.92Å; M635-N649 PolarHBondContact N-OD1 2.95Å; M635-Y654 HydrophobicContact CB-CD1 4.04Å
636	C	66.1	Low	68.6	Low	25 Å²	25	86.2 Å²	86.2	17%	0.169	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21	176	-76.8	0	0	0	0	112.6	D634 T638 H641 C647 V648 N649	D634-C636 PolarHBondContact OD1-N 3.04Å; C636-T638 PolarHBondContact O-N 2.83Å; C636-H641 PolarHBondContact O-CD2 2.94Å; C636-C647 HydrophobicContact CB-CB 4.19Å; C636-C647 WeakPolarHBondContact CB-SG 3.25Å; C636-C647 WeakPolarHBondContact SG-CB 3.49Å; C636-C647 CovalentContact SG-SG 2.08Å; C636-C647 PolarHBondContact SG-SG 2.89Å; C636-V648 PolarHBondContact SG-N 3.17Å; C636-N649 HydrophobicContact CB-CB 4.06Å; C636-N649 PolarHBondContact SG-N 3.33Å
637	N	63.9	Low	68.5	Low	132 Å²	132	83.8 Å²	83.8	71%	0.706	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	6.1	175.3	-80.6	-42.7	0	0	0	113.8	D634 M635	D634-N637 PolarHBondContact OD2-ND2 3.24Å; M635-N637 PolarHBondContact O-N 2.6Å
638	T	59.7	Low	68.5	Low	72 Å²	72	78.7 Å²	78.7	44%	0.442	42%	0.416	S	S	.	.	S	Bend	trans	-94.2	138.7	175.4	69.2	0	0	0	0	111.4	M635 C636 K640	M635-T638 PolarHBondContact O-N 2.66Å; M635-T638 PolarHBondContact O-OG1 2.92Å; C636-T638 PolarHBondContact O-N 2.83Å; T638-K640 PolarHBondContact O-N 2.88Å
639	V	50	Low	67.8	Low	150 Å²	150	75.9 Å²	75.9	91%	0.909	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	0.1	-162.4	-178.5	0	0	0	0	115.5
640	K	58.3	Low	67	Low	196 Å²	196	76.1 Å²	76.1	85%	0.852	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145	58.2	-178.2	-78.1	-171.8	174.4	-178.6	0	113.9	T638	T638-K640 PolarHBondContact O-N 2.88Å
641	H	64.5	Low	65.5	Low	55 Å²	55	80.5 Å²	80.5	26%	0.255	44%	0.44	S	S	.	.			trans	-80.3	-26.9	172.8	61.2	76.6	0	0	0	113.1	C636 C643 Y654 K669	C636-H641 PolarHBondContact O-CD2 2.94Å; H641-C643 PolarHBondContact O-N 3.1Å; H641-Y654 WeakPolarHBondContact CA-OH 3.44Å; H641-Y654 HydrophobicContact CB-CD2 3.9Å; H641-Y654 HydrophobicContact CB-CE1 4.24Å; H641-Y654 HydrophobicContact CB-CE2 3.53Å; H641-Y654 HydrophobicContact CB-CG 4.39Å; H641-Y654 VanDerWaalsContact O-CE2 3.27Å; H641-Y654 WeakPolarHBondContact O-CE2 3.37Å; H641-Y654 PolarHBondContact O-OH 3.29Å; H641-K669 WeakPolarHBondContact O-CE 3.4Å
642	G	64.8	Low	64.6	Low	48 Å²	48	77.9 Å²	77.9	50%	0.495	43%	0.426	S	S	.	.			trans	67.8	27.5	165.6	0	0	0	0	0	115.8	K669	G642-K669 WeakPolarHBondContact O-CB 3.48Å; G642-K669 WeakPolarHBondContact O-CD 3.45Å; G642-K669 WeakPolarHBondContact O-CG 3.3Å
643	C	73.4	Confident	64.4	Low	21 Å²	21	77.1 Å²	77.1	14%	0.142	43%	0.426	C	S	.	.			trans	-74.5	136.5	171.6	-62.5	0	0	0	0	110.1	H641 Y645 C656	H641-C643 PolarHBondContact O-N 3.1Å; C643-Y645 VanDerWaalsContact C-N 3.32Å; C643-C656 WeakPolarHBondContact CA-SG 3.22Å; C643-C656 HydrophobicContact CB-CB 3.57Å; C643-C656 WeakPolarHBondContact CB-SG 3.48Å; C643-C656 VanDerWaalsContact SG-CA 3.53Å; C643-C656 WeakPolarHBondContact SG-CB 3.41Å; C643-C656 CovalentContact SG-SG 2.03Å; C643-C656 PolarHBondContact SG-SG 3.12Å
644	D	74.1	Confident	64.9	Low	108 Å²	108	75.6 Å²	75.6	58%	0.578	42%	0.416	S	S	*	.	S	Bend	trans	-72.7	-27	179.2	-159	33.3	0	0	0	112.1	K669 T670	D644-K669 WeakPolarHBondContact CB-O 3.36Å; D644-K669 PolarHBondContact N-O 3.4Å; D644-T670 HydrophobicContact CB-CG2 4.32Å
645	Y	76.6	Confident	65.2	Low	145 Å²	145	76.1 Å²	76.1	57%	0.569	42%	0.416	S	S	*	.	S	Bend	trans	-123.2	-84.2	175.2	-177.4	-112.4	0	0	0	113.7	C643 I657	C643-Y645 VanDerWaalsContact C-N 3.32Å; Y645-I657 WeakPolarHBondContact CB-O 3.28Å; Y645-I657 HydrophobicContact CD1-CG1 4.34Å; Y645-I657 WeakPolarHBondContact CD1-O 3.26Å
646	Q	73.1	Confident	65.9	Low	95 Å²	95	74.1 Å²	74.1	44%	0.444	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.5	-174.6	178.9	173.9	3.9	0	0	113.2	C656 I657	Q646-C656 CarbonylContact O-C 3.6Å; Q646-C656 VanDerWaalsContact O-CA 3.23Å; Q646-C656 WeakPolarHBondContact O-CA 3.49Å; Q646-I657 HydrophobicContact CB-CD1 3.99Å; Q646-I657 HydrophobicContact CB-CG1 3.62Å; Q646-I657 HydrophobicContact CG-CD1 4.04Å; Q646-I657 HydrophobicContact CG-CG1 4.14Å; Q646-I657 PolarHBondContact N-O 3.46Å; Q646-I657 PolarHBondContact O-N 2.77Å
647	C	75.9	Confident	66.2	Low	26 Å²	26	75.9 Å²	75.9	18%	0.176	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.3	176.6	-174.8	0	0	0	0	110.9	C636 Y654 H655	C636-C647 HydrophobicContact CB-CB 4.19Å; C636-C647 WeakPolarHBondContact CB-SG 3.25Å; C636-C647 WeakPolarHBondContact SG-CB 3.49Å; C636-C647 CovalentContact SG-SG 2.08Å; C636-C647 PolarHBondContact SG-SG 2.89Å; C647-Y654 WeakPolarHBondContact SG-CD2 3.16Å; C647-H655 CarbonylContact C-O 3.6Å; C647-H655 WeakPolarHBondContact CA-O 3.25Å
648	V	75.7	Confident	66.5	Low	52 Å²	52	71.1 Å²	71.1	32%	0.315	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.5	173.1	-178.8	0	0	0	0	109.4	C636 Y654 H655 I657	C636-V648 PolarHBondContact SG-N 3.17Å; V648-Y654 CarbonylContact O-C 3.58Å; V648-Y654 VanDerWaalsContact O-CA 3.27Å; V648-Y654 WeakPolarHBondContact O-CA 3.18Å; V648-H655 VanDerWaalsContact CB-CE1 3.49Å; V648-H655 WeakPolarHBondContact CB-CE1 3.4Å; V648-H655 PolarHBondContact N-O 3.23Å; V648-H655 PolarHBondContact O-N 3.49Å; V648-H655 PolarHBondContact O-ND1 2.88Å; V648-I657 HydrophobicContact CG2-CD1 4.49Å
649	N	64.9	Low	66.7	Low	58 Å²	58	70.1 Å²	70.1	31%	0.31	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.4	-177.8	-174	55.6	0	0	0	110.2	D634 M635 C636 S653	D634-N649 WeakPolarHBondContact OD1-CB 3.35Å; D634-N649 PolarHBondContact OD1-ND2 3.26Å; D634-N649 VanDerWaalsContact OD1-ND2 3.14Å; D634-N649 PolarHBondContact OD1-OD1 3.01Å; M635-N649 PolarHBondContact N-OD1 2.95Å; C636-N649 HydrophobicContact CB-CB 4.06Å; C636-N649 PolarHBondContact SG-N 3.33Å; N649-S653 PolarHBondContact OD1-O 3.37Å; N649-S653 VanDerWaalsContact OD1-O 3.05Å
650	T	60.6	Low	66.6	Low	47 Å²	47	72.6 Å²	72.6	29%	0.288	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.9	174.9	53.8	0	0	0	0	109.5	G652 S653	T650-G652 PolarHBondContact O-N 3.08Å; T650-S653 CarbonylContact C-O 3.57Å; T650-S653 PolarHBondContact N-O 2.95Å; T650-S653 CarbonylContact O-C 3.47Å; T650-S653 PolarHBondContact O-N 3.18Å; T650-S653 PolarHBondContact OG1-O 2.94Å
651	P	50.1	Low	66.2	Low	106 Å²	106	66.8 Å²	66.8	69%	0.688	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	104.5	178.9	-32.5	39.2	0	0	0	113.1	F621 N632	F621-P651 HydrophobicContact CZ-CB 4.44Å; N632-P651 WeakPolarHBondContact ND2-CA 3.08Å; N632-P651 WeakPolarHBondContact ND2-CB 3.37Å
652	G	55.4	Low	66	Low	13 Å²	13	68.6 Å²	68.6	13%	0.134	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	0.5	-177.3	0	0	0	0	0	116.8	N632 T650	N632-G652 PolarHBondContact OD1-N 3.43Å; T650-G652 PolarHBondContact O-N 3.08Å
653	S	61.2	Low	65.4	Low	58 Å²	58	71.6 Å²	71.6	41%	0.406	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-175.5	-176.3	-164.2	0	0	0	0	113	N649 T650	N649-S653 PolarHBondContact OD1-O 3.37Å; N649-S653 VanDerWaalsContact OD1-O 3.05Å; T650-S653 CarbonylContact C-O 3.57Å; T650-S653 PolarHBondContact N-O 2.95Å; T650-S653 CarbonylContact O-C 3.47Å; T650-S653 PolarHBondContact O-N 3.18Å; T650-S653 PolarHBondContact OG1-O 2.94Å
654	Y	70.8	Confident	64.7	Low	56 Å²	56	73.9 Å²	73.9	22%	0.22	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.1	168	69.2	-83.6	0	0	0	109.3	M635 H641 C647 V648	M635-Y654 HydrophobicContact CB-CD1 4.04Å; H641-Y654 WeakPolarHBondContact CA-OH 3.44Å; H641-Y654 HydrophobicContact CB-CD2 3.9Å; H641-Y654 HydrophobicContact CB-CE1 4.24Å; H641-Y654 HydrophobicContact CB-CE2 3.53Å; H641-Y654 HydrophobicContact CB-CG 4.39Å; H641-Y654 VanDerWaalsContact O-CE2 3.27Å; H641-Y654 WeakPolarHBondContact O-CE2 3.37Å; H641-Y654 PolarHBondContact O-OH 3.29Å; C647-Y654 WeakPolarHBondContact SG-CD2 3.16Å; V648-Y654 CarbonylContact O-C 3.58Å; V648-Y654 VanDerWaalsContact O-CA 3.27Å; V648-Y654 WeakPolarHBondContact O-CA 3.18Å
655	H	68.7	Low	64	Low	85 Å²	85	72.3 Å²	72.3	39%	0.394	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.7	173.2	65.8	-78	0	0	0	111.6	C647 V648	C647-H655 CarbonylContact C-O 3.6Å; C647-H655 WeakPolarHBondContact CA-O 3.25Å; V648-H655 VanDerWaalsContact CB-CE1 3.49Å; V648-H655 WeakPolarHBondContact CB-CE1 3.4Å; V648-H655 PolarHBondContact N-O 3.23Å; V648-H655 PolarHBondContact O-N 3.49Å; V648-H655 PolarHBondContact O-ND1 2.88Å
656	C	75.5	Confident	62.9	Low	8 Å²	8	74 Å²	74	5%	0.054	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.6	179.6	-52.2	0	0	0	0	109.7	C643 Q646 L664 G668	C643-C656 WeakPolarHBondContact CA-SG 3.22Å; C643-C656 HydrophobicContact CB-CB 3.57Å; C643-C656 WeakPolarHBondContact CB-SG 3.48Å; C643-C656 VanDerWaalsContact SG-CA 3.53Å; C643-C656 WeakPolarHBondContact SG-CB 3.41Å; C643-C656 CovalentContact SG-SG 2.03Å; C643-C656 PolarHBondContact SG-SG 3.12Å; Q646-C656 CarbonylContact O-C 3.6Å; Q646-C656 VanDerWaalsContact O-CA 3.23Å; Q646-C656 WeakPolarHBondContact O-CA 3.49Å; C656-L664 HydrophobicContact CB-CD1 3.96Å; C656-L664 WeakPolarHBondContact O-CD2 3.28Å; C656-G668 PolarHBondContact SG-O 3.32Å; C656-G668 VanDerWaalsContact SG-O 3.37Å
657	I	73.1	Confident	62.3	Low	63 Å²	63	73.3 Å²	73.3	32%	0.323	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.2	175.1	62.4	175.1	0	0	0	110	Y645 Q646 V648	Y645-I657 WeakPolarHBondContact CB-O 3.28Å; Y645-I657 HydrophobicContact CD1-CG1 4.34Å; Y645-I657 WeakPolarHBondContact CD1-O 3.26Å; Q646-I657 HydrophobicContact CB-CD1 3.99Å; Q646-I657 HydrophobicContact CB-CG1 3.62Å; Q646-I657 HydrophobicContact CG-CD1 4.04Å; Q646-I657 HydrophobicContact CG-CG1 4.14Å; Q646-I657 PolarHBondContact N-O 3.46Å; Q646-I657 PolarHBondContact O-N 2.77Å; V648-I657 HydrophobicContact CG2-CD1 4.49Å
658	C	70.1	Confident	61.6	Low	32 Å²	32	73.7 Å²	73.7	22%	0.216	42%	0.422	C	S	.	.			trans	-107.4	154.9	-179.3	-73.3	0	0	0	0	112	Q662 L664 C671	C658-Q662 WeakPolarHBondContact CB-O 3.48Å; C658-L664 VanDerWaalsContact SG-CA 3.53Å; C658-L664 VanDerWaalsContact SG-CD1 3.6Å; C658-C671 VanDerWaalsContact CA-SG 3.58Å; C658-C671 HydrophobicContact CB-CB 3.89Å; C658-C671 WeakPolarHBondContact CB-SG 3.11Å; C658-C671 WeakPolarHBondContact SG-CB 3.07Å; C658-C671 CovalentContact SG-SG 2.03Å; C658-C671 PolarHBondContact SG-SG 3.22Å
659	P	62.9	Low	61.4	Low	51 Å²	51	75 Å²	75	33%	0.331	42%	0.424	S	S	.	.			trans	-67.5	160.8	174.7	27.6	-33.4	0	0	0	112.6	G661 Q662	P659-G661 PolarHBondContact O-N 3.25Å; P659-Q662 PolarHBondContact O-N 2.98Å
660	E	48.6	Very low	61.5	Low	201 Å²	201	74.8 Å²	74.8	94%	0.939	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	130.6	-178.5	-74.9	-177.8	168	0	0	112.4
661	G	49.9	Very low	62.1	Low	75 Å²	75	73.7 Å²	73.7	77%	0.773	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	2.8	179.6	0	0	0	0	0	115.7	P659	P659-G661 PolarHBondContact O-N 3.25Å
662	Q	60.5	Low	62.3	Low	92 Å²	92	69.4 Å²	69.4	43%	0.43	39%	0.394	S	S	.	.			trans	-128.2	143.3	174.3	-62.2	-174.2	-9.6	0	0	111.6	C658 P659 C671	C658-Q662 WeakPolarHBondContact CB-O 3.48Å; P659-Q662 PolarHBondContact O-N 2.98Å; Q662-C671 HydrophobicContact CB-CB 3.94Å; Q662-C671 VanDerWaalsContact OE1-CB 3.23Å
663	L	52.2	Low	62.1	Low	111 Å²	111	74.8 Å²	74.8	58%	0.581	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.5	176.8	-67.8	173.2	0	0	0	110.6	Q665 C671 G672	L663-Q665 PolarHBondContact O-N 3.39Å; L663-Q665 PolarHBondContact O-NE2 3.27Å; L663-C671 CarbonylContact O-C 3.54Å; L663-C671 WeakPolarHBondContact O-CA 3.36Å; L663-G672 PolarHBondContact N-O 3.45Å; L663-G672 VanDerWaalsContact N-O 3.08Å; L663-G672 PolarHBondContact O-N 3.48Å
664	L	59.2	Low	61.5	Low	70 Å²	70	76 Å²	76	37%	0.366	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	124.4	174.1	-165.7	73.9	0	0	0	108.8	C656 C658 T670	C656-L664 HydrophobicContact CB-CD1 3.96Å; C656-L664 WeakPolarHBondContact O-CD2 3.28Å; C658-L664 VanDerWaalsContact SG-CA 3.53Å; C658-L664 VanDerWaalsContact SG-CD1 3.6Å; L664-T670 CarbonylContact C-O 3.43Å; L664-T670 WeakPolarHBondContact CA-O 3.3Å
665	Q	59.8	Low	60.2	Low	74 Å²	74	83.4 Å²	83.4	35%	0.346	47%	0.465	S	S	.	.			trans	-75.3	170.2	-177	-60.5	-62.9	-74.2	0	0	110.8	L663 D667 G668 T670 G672	L663-Q665 PolarHBondContact O-N 3.39Å; L663-Q665 PolarHBondContact O-NE2 3.27Å; Q665-D667 PolarHBondContact O-N 3.11Å; Q665-G668 PolarHBondContact O-N 3.43Å; Q665-T670 WeakPolarHBondContact CB-O 3.34Å; Q665-T670 WeakPolarHBondContact CG-O 3.16Å; Q665-T670 PolarHBondContact N-O 3.42Å; Q665-G672 VanDerWaalsContact NE2-C 3.28Å
666	D	52.6	Low	59.4	Low	180 Å²	180	84.2 Å²	84.2	96%	0.963	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.2	-175.9	-65	-31	0	0	0	114.6	G668	D666-G668 PolarHBondContact O-N 3.4Å
667	D	60.3	Low	58.4	Low	82 Å²	82	84.8 Å²	84.8	44%	0.439	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.6	175.7	71.6	-1	0	0	0	114	Q665 K669 T670	Q665-D667 PolarHBondContact O-N 3.11Å; D667-K669 PolarHBondContact O-N 3.34Å; D667-K669 PolarHBondContact OD1-N 2.69Å; D667-T670 PolarHBondContact OD1-N 2.87Å; D667-T670 PolarHBondContact OD1-OG1 2.89Å; D667-T670 WeakPolarHBondContact OD2-CB 3.5Å; D667-T670 VanDerWaalsContact OD2-CG2 3.23Å; D667-T670 WeakPolarHBondContact OD2-CG2 3.42Å; D667-T670 PolarHBondContact OD2-OG1 2.7Å
668	G	61.7	Low	58.4	Low	34 Å²	34	85.4 Å²	85.4	35%	0.351	49%	0.489	S	S	.	.	S	Bend	trans	64.7	16.3	-178.8	0	0	0	0	0	113.8	C656 Q665 D666	C656-G668 PolarHBondContact SG-O 3.32Å; C656-G668 VanDerWaalsContact SG-O 3.37Å; Q665-G668 PolarHBondContact O-N 3.43Å; D666-G668 PolarHBondContact O-N 3.4Å
669	K	70.2	Confident	59.2	Low	80 Å²	80	84 Å²	84	35%	0.348	48%	0.48	S	S	.	.	S	Bend	trans	-136.8	-39.3	-169.4	-74.2	174.9	-179.9	179.2	0	113.9	H641 G642 D644 D667	H641-K669 WeakPolarHBondContact O-CE 3.4Å; G642-K669 WeakPolarHBondContact O-CB 3.48Å; G642-K669 WeakPolarHBondContact O-CD 3.45Å; G642-K669 WeakPolarHBondContact O-CG 3.3Å; D644-K669 WeakPolarHBondContact CB-O 3.36Å; D644-K669 PolarHBondContact N-O 3.4Å; D667-K669 PolarHBondContact O-N 3.34Å; D667-K669 PolarHBondContact OD1-N 2.69Å
670	T	67.6	Low	60.5	Low	52 Å²	52	81.6 Å²	81.6	32%	0.319	46%	0.464	S	S	.	.			trans	-104.1	164.4	-176	56.6	0	0	0	0	112.8	D644 L664 Q665 D667	D644-T670 HydrophobicContact CB-CG2 4.32Å; L664-T670 CarbonylContact C-O 3.43Å; L664-T670 WeakPolarHBondContact CA-O 3.3Å; Q665-T670 WeakPolarHBondContact CB-O 3.34Å; Q665-T670 WeakPolarHBondContact CG-O 3.16Å; Q665-T670 PolarHBondContact N-O 3.42Å; D667-T670 PolarHBondContact OD1-N 2.87Å; D667-T670 PolarHBondContact OD1-OG1 2.89Å; D667-T670 WeakPolarHBondContact OD2-CB 3.5Å; D667-T670 VanDerWaalsContact OD2-CG2 3.23Å; D667-T670 WeakPolarHBondContact OD2-CG2 3.42Å; D667-T670 PolarHBondContact OD2-OG1 2.7Å
671	C	73	Confident	62.5	Low	25 Å²	25	72 Å²	72	17%	0.169	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.6	-173.8	-53.3	0	0	0	0	113.1	C658 Q662 L663	C658-C671 VanDerWaalsContact CA-SG 3.58Å; C658-C671 HydrophobicContact CB-CB 3.89Å; C658-C671 WeakPolarHBondContact CB-SG 3.11Å; C658-C671 WeakPolarHBondContact SG-CB 3.07Å; C658-C671 CovalentContact SG-SG 2.03Å; C658-C671 PolarHBondContact SG-SG 3.22Å; Q662-C671 HydrophobicContact CB-CB 3.94Å; Q662-C671 VanDerWaalsContact OE1-CB 3.23Å; L663-C671 CarbonylContact O-C 3.54Å; L663-C671 WeakPolarHBondContact O-CA 3.36Å
672	G	55.2	Low	64.7	Low	16 Å²	16	68.5 Å²	68.5	17%	0.165	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-173.1	-176.3	0	0	0	0	0	117.1	L663 Q665	L663-G672 PolarHBondContact N-O 3.45Å; L663-G672 VanDerWaalsContact N-O 3.08Å; L663-G672 PolarHBondContact O-N 3.48Å; Q665-G672 VanDerWaalsContact NE2-C 3.28Å
673	T	50.1	Low	66.3	Low	125 Å²	125	64.1 Å²	64.1	77%	0.767	36%	0.362	S	S	*	.			trans	-125.7	147.6	-170	43.6	0	0	0	0	115.1
674	C	49.4	Very low	68.3	Low	85 Å²	85	58.9 Å²	58.9	57%	0.574	34%	0.335	S	S	*	.			trans	-92.2	154	-166.6	-71.1	0	0	0	0	118	C860	C674-C860 VanDerWaalsContact SG-SG 3.68Å
675	K	43.8	Very low	69.9	Low	210 Å²	210	55.7 Å²	55.7	91%	0.913	32%	0.318	S	S	*	.			trans	-127.7	152.5	168.7	-75.1	-176	177.9	179.9	0	112
676	S	51	Low	71.3	Confident	103 Å²	103	52.3 Å²	52.3	72%	0.72	30%	0.302	S	S	*	.			trans	-57.5	157.4	-160.8	-45.7	0	0	0	0	120.8
677	A	56	Low	73	Confident	19 Å²	19	43.7 Å²	43.7	16%	0.157	26%	0.256	C	S	.	.			trans	-73	145.2	-172.5	0	0	0	0	0	118.2	V859	A677-V859 HydrophobicContact CB-CB 3.44Å; A677-V859 VanDerWaalsContact CB-CB 3.44Å; A677-V859 HydrophobicContact CB-CG1 4.34Å; A677-V859 HydrophobicContact CB-CG2 3.4Å; A677-V859 VanDerWaalsContact CB-CG2 3.4Å
678	N	73.3	Confident	74.3	Confident	76 Å²	76	39.8 Å²	39.8	41%	0.406	24%	0.236	S	C	.	.			trans	-106.2	116.6	169.5	-65.4	-25.7	0	0	0	111	G716 I784	N678-G716 WeakPolarHBondContact OD1-CA 3.23Å; N678-I784 HydrophobicContact CB-CD1 4.3Å
679	I	85.3	Confident	75.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.252	C	S	.	.			trans	-134.5	155.3	-178.7	64.3	168.5	0	0	0	114.4	L710 T717 R718 R778 P785 I787 V859	I679-L710 HydrophobicContact CD1-CD2 4.38Å; I679-T717 HydrophobicContact CD1-CG2 4.2Å; I679-T717 HydrophobicContact CG1-CG2 3.63Å; I679-T717 WeakPolarHBondContact CG1-OG1 3.49Å; I679-T717 VanDerWaalsContact O-CA 3.3Å; I679-T717 WeakPolarHBondContact O-CA 3.45Å; I679-R718 PolarHBondContact O-N 2.69Å; I679-R778 PolarHBondContact O-NH2 2.94Å; I679-P785 HydrophobicContact CG2-CB 4.02Å; I679-P785 HydrophobicContact CG2-CG 4.18Å; I679-I787 HydrophobicContact CD1-CD1 3.88Å; I679-V859 HydrophobicContact CG2-CG2 4.05Å
680	D	89.9	Confident	75.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.5	168.8	-71.1	-17.2	0	0	0	109.6	L734 F771 R778 P785 R786 I787	D680-L734 HydrophobicContact CB-CD1 4.44Å; D680-F771 HydrophobicContact CB-CE1 4.25Å; D680-R778 IonicContact OD1-CZ 2.92Å; D680-R778 IonicContact OD1-NE 3.9Å; D680-R778 PolarHBondContact OD1-NE 2.83Å; D680-R778 IonicContact OD1-NH2 3.67Å; D680-R778 PolarHBondContact OD1-NH2 3.27Å; D680-R778 PolarHBondContact OD2-N 3.4Å; D680-R778 IonicContact OD2-NE 3.38Å; D680-P785 PolarHBondContact N-O 3.49Å; D680-R786 HydrophobicContact CB-CG 4.46Å; D680-R786 WeakPolarHBondContact O-CA 3.22Å; D680-I787 PolarHBondContact O-N 3.26Å
681	L	92.1	Very high	76.4	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.2	-174.3	175.7	63.7	0	0	0	111.4	L683 V706 L710 R718 V719 G720 L734 I787 L789	L681-L683 HydrophobicContact CD1-CD2 4.15Å; L681-L683 HydrophobicContact CD2-CD2 4.05Å; L681-L683 HydrophobicContact CG-CD2 4.04Å; L681-L683 HydrophobicContact CG-CG 4.41Å; L681-V706 HydrophobicContact CD2-CG1 4.35Å; L681-L710 HydrophobicContact CD2-CD1 3.52Å; L681-R718 PolarHBondContact N-O 3.49Å; L681-V719 HydrophobicContact CD2-CG1 4.45Å; L681-V719 HydrophobicContact CD2-CG2 4.42Å; L681-V719 CarbonylContact O-C 3.56Å; L681-V719 VanDerWaalsContact O-CA 3.26Å; L681-V719 WeakPolarHBondContact O-CA 3.41Å; L681-G720 PolarHBondContact O-N 2.84Å; L681-L734 WeakPolarHBondContact O-CD2 2.99Å; L681-I787 WeakPolarHBondContact CA-O 3.27Å; L681-I787 HydrophobicContact CD1-CB 3.88Å; L681-I787 HydrophobicContact CD1-CG2 3.74Å; L681-L789 HydrophobicContact CD1-CB 4.24Å
682	V	95	Very high	76.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.1	171.2	178.2	0	0	0	0	110	G720 V722 L734 M766 F771 I787 G788 L789	V682-G720 WeakPolarHBondContact CA-O 3.06Å; V682-V722 HydrophobicContact CG1-CG2 4.05Å; V682-L734 HydrophobicContact CG2-CD1 4.15Å; V682-L734 HydrophobicContact CG2-CD2 4.06Å; V682-L734 HydrophobicContact CG2-CG 4.21Å; V682-M766 HydrophobicContact CB-CG 4.23Å; V682-M766 HydrophobicContact CB-SD 4.46Å; V682-M766 HydrophobicContact CG1-CG 3.94Å; V682-M766 HydrophobicContact CG1-SD 4.44Å; V682-F771 HydrophobicContact CB-CE1 4.38Å; V682-F771 HydrophobicContact CB-CE2 4.03Å; V682-F771 HydrophobicContact CB-CZ 3.8Å; V682-F771 HydrophobicContact CG2-CD1 4.11Å; V682-F771 HydrophobicContact CG2-CD2 4.37Å; V682-F771 HydrophobicContact CG2-CE1 3.65Å; V682-F771 HydrophobicContact CG2-CE2 3.95Å; V682-F771 HydrophobicContact CG2-CG 4.44Å; V682-F771 HydrophobicContact CG2-CZ 3.56Å; V682-I787 PolarHBondContact N-O 2.91Å; V682-G788 WeakPolarHBondContact O-CA 3.45Å; V682-L789 PolarHBondContact O-N 3.43Å
683	L	94.7	Very high	78	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122	179	-57.6	174.7	0	0	0	109.5	L681 V703 V719 G720 L721 V722 L789	L681-L683 HydrophobicContact CD1-CD2 4.15Å; L681-L683 HydrophobicContact CD2-CD2 4.05Å; L681-L683 HydrophobicContact CG-CD2 4.04Å; L681-L683 HydrophobicContact CG-CG 4.41Å; L683-V703 HydrophobicContact CD1-CB 4.29Å; L683-V703 HydrophobicContact CD1-CG1 3.4Å; L683-V703 HydrophobicContact CD1-CG2 4.09Å; L683-V719 HydrophobicContact CD1-CG1 3.85Å; L683-V719 HydrophobicContact CG-CG1 4.18Å; L683-G720 PolarHBondContact N-O 3.33Å; L683-L721 HydrophobicContact CB-CD1 3.61Å; L683-L721 HydrophobicContact CD1-CD1 4.29Å; L683-V722 PolarHBondContact O-N 3.03Å; L683-L789 HydrophobicContact CD2-CB 3.78Å; L683-L789 HydrophobicContact CD2-CD2 3.47Å; L683-L789 VanDerWaalsContact CD2-CD2 3.47Å; L683-L789 HydrophobicContact CD2-CG 4.02Å
684	L	94	Very high	79.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.9	177.2	-79.4	158.7	0	0	0	109.2	V722 Y724 A762 L763 M766 L789 V790 F791	L684-V722 CarbonylContact C-O 3.43Å; L684-V722 WeakPolarHBondContact CA-O 3.31Å; L684-V722 HydrophobicContact CD2-CB 3.8Å; L684-V722 HydrophobicContact CD2-CG1 3.72Å; L684-Y724 HydrophobicContact CB-CD1 4.45Å; L684-Y724 HydrophobicContact CB-CE1 4.19Å; L684-Y724 HydrophobicContact CD2-CD1 4.39Å; L684-A762 HydrophobicContact CD2-CB 3.84Å; L684-L763 HydrophobicContact CD1-CD2 4.17Å; L684-M766 HydrophobicContact CD1-CB 3.91Å; L684-M766 HydrophobicContact CD1-CE 4.17Å; L684-M766 HydrophobicContact CD1-CG 4.12Å; L684-M766 HydrophobicContact CD1-SD 3.36Å; L684-M766 WeakPolarHBondContact CD1-SD 3.37Å; L684-M766 HydrophobicContact CD2-CB 4.34Å; L684-M766 HydrophobicContact CG-CB 4.44Å; L684-M766 HydrophobicContact CG-SD 4.26Å; L684-L789 PolarHBondContact N-O 3.04Å; L684-V790 HydrophobicContact CB-CB 4.41Å; L684-V790 HydrophobicContact CB-CG1 4.27Å; L684-V790 HydrophobicContact CB-CG2 4.25Å; L684-V790 HydrophobicContact CD1-CG2 3.76Å; L684-F791 PolarHBondContact O-N 3.35Å
685	I	92.9	Very high	80.6	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125	-177.2	57.5	165.8	0	0	0	112.2	G687 F696 V699 V703 L721 V722 Q723 Y724 V750 F791	I685-G687 PolarHBondContact O-N 3.36Å; I685-F696 HydrophobicContact CD1-CE2 4.06Å; I685-F696 HydrophobicContact CD1-CZ 3.96Å; I685-V699 HydrophobicContact CB-CG1 4.15Å; I685-V699 HydrophobicContact CG2-CG1 3.68Å; I685-V703 HydrophobicContact CG2-CG2 4.11Å; I685-L721 HydrophobicContact CD1-CD1 4Å; I685-L721 HydrophobicContact CD1-CD2 4.23Å; I685-L721 HydrophobicContact CD1-CG 4.32Å; I685-L721 HydrophobicContact CG1-CD1 3.98Å; I685-L721 HydrophobicContact CG2-CD1 3.89Å; I685-V722 WeakPolarHBondContact CG1-O 2.91Å; I685-V722 PolarHBondContact N-O 3.46Å; I685-Q723 HydrophobicContact CD1-CB 4.13Å; I685-Q723 HydrophobicContact CD1-CG 4.12Å; I685-Q723 HydrophobicContact CG1-CB 3.85Å; I685-Q723 HydrophobicContact CG1-CG 3.96Å; I685-Q723 WeakPolarHBondContact O-CA 2.93Å; I685-Y724 WeakPolarHBondContact O-CD1 3.19Å; I685-Y724 PolarHBondContact O-N 3.14Å; I685-V750 HydrophobicContact CD1-CG1 4.19Å; I685-F791 HydrophobicContact CG2-CD2 3.78Å; I685-F791 HydrophobicContact CG2-CE2 4.36Å; I685-F791 HydrophobicContact CG2-CG 4.46Å
686	D	90	Very high	82.6	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.2	172.9	-173.5	7.7	0	0	0	110.7	S688 V691 F696 Y724 T757 F791	D686-S688 WeakPolarHBondContact OD1-CA 3.37Å; D686-S688 WeakPolarHBondContact OD1-CB 3.35Å; D686-S688 PolarHBondContact OD1-N 3.17Å; D686-S688 PolarHBondContact OD1-OG 2.92Å; D686-S688 PolarHBondContact OD2-OG 3.35Å; D686-V691 HydrophobicContact CB-CG2 3.92Å; D686-V691 WeakPolarHBondContact O-CG2 3.03Å; D686-V691 WeakPolarHBondContact OD2-CG2 3.45Å; D686-F696 WeakPolarHBondContact O-CD2 3.21Å; D686-Y724 HydrophobicContact CB-CE1 4.16Å; D686-Y724 HydrophobicContact CB-CE2 4.07Å; D686-T757 WeakPolarHBondContact OD2-CG2 3.27Å; D686-F791 WeakPolarHBondContact CB-O 2.99Å; D686-F791 PolarHBondContact N-O 2.96Å
687	G	87.9	Confident	84.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.			trans	-101.9	16.5	173.2	0	0	0	0	0	113.1	I685 Y724 Y752 E754	I685-G687 PolarHBondContact O-N 3.36Å; G687-Y724 WeakPolarHBondContact CA-O 3.47Å; G687-Y724 PolarHBondContact N-O 2.67Å; G687-Y752 VanDerWaalsContact O-CE2 3.3Å; G687-Y752 WeakPolarHBondContact O-CE2 3.42Å; G687-E754 PolarHBondContact O-N 3.13Å
688	S	87.6	Confident	85.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-69.1	157.4	179.9	70.2	0	0	0	0	112.8	D686 S690 V691 Y752 K755 G756 T757	D686-S688 WeakPolarHBondContact OD1-CA 3.37Å; D686-S688 WeakPolarHBondContact OD1-CB 3.35Å; D686-S688 PolarHBondContact OD1-N 3.17Å; D686-S688 PolarHBondContact OD1-OG 2.92Å; D686-S688 PolarHBondContact OD2-OG 3.35Å; S688-S690 PolarHBondContact O-N 3.27Å; S688-S690 VanDerWaalsContact O-N 3.11Å; S688-S690 PolarHBondContact OG-OG 3.37Å; S688-V691 WeakPolarHBondContact O-CB 3.38Å; S688-V691 PolarHBondContact O-N 2.88Å; S688-V691 VanDerWaalsContact O-N 3.12Å; S688-Y752 PolarHBondContact O-OH 2.85Å; S688-K755 CarbonylContact C-O 3.6Å; S688-K755 VanDerWaalsContact CA-O 3.23Å; S688-K755 WeakPolarHBondContact CA-O 3.43Å; S688-K755 WeakPolarHBondContact CB-O 3.45Å; S688-G756 WeakPolarHBondContact CB-O 3Å; S688-T757 WeakPolarHBondContact CB-OG1 3.27Å; S688-T757 PolarHBondContact OG-OG1 3.37Å
689	K	83.8	Confident	85.9	Confident	158 Å²	158	38 Å²	38	69%	0.687	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30	178.8	-170.3	175.9	178	178.5	0	113.3	V691 R692 Y752 K755	K689-V691 VanDerWaalsContact C-N 3.27Å; K689-V691 PolarHBondContact O-N 3.31Å; K689-R692 PolarHBondContact O-N 3.08Å; K689-Y752 WeakPolarHBondContact CA-OH 3.17Å; K689-Y752 PolarHBondContact O-OH 3.21Å; K689-K755 PolarHBondContact N-O 3.25Å
690	S	79.4	Confident	86.1	Confident	51 Å²	51	38.4 Å²	38.4	36%	0.357	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.3	-179.9	15.7	0	0	0	0	112.7	S688 R692 T757	S688-S690 PolarHBondContact O-N 3.27Å; S688-S690 VanDerWaalsContact O-N 3.11Å; S688-S690 PolarHBondContact OG-OG 3.37Å; S690-R692 VanDerWaalsContact C-N 3.29Å; S690-R692 PolarHBondContact O-N 3.32Å; S690-T757 PolarHBondContact OG-OG1 2.79Å
691	V	79.9	Confident	85.8	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-35	-179	179.7	0	0	0	0	111.1	D686 S688 K689 N695 F696 D793	D686-V691 HydrophobicContact CB-CG2 3.92Å; D686-V691 WeakPolarHBondContact O-CG2 3.03Å; D686-V691 WeakPolarHBondContact OD2-CG2 3.45Å; S688-V691 WeakPolarHBondContact O-CB 3.38Å; S688-V691 PolarHBondContact O-N 2.88Å; S688-V691 VanDerWaalsContact O-N 3.12Å; K689-V691 VanDerWaalsContact C-N 3.27Å; K689-V691 PolarHBondContact O-N 3.31Å; V691-N695 HydrophobicContact CG1-CB 3.96Å; V691-N695 WeakPolarHBondContact O-CB 3.04Å; V691-N695 VanDerWaalsContact O-CG 3.27Å; V691-N695 PolarHBondContact O-ND2 3.3Å; V691-F696 HydrophobicContact CG1-CB 4.14Å; V691-F696 HydrophobicContact CG1-CD2 4.49Å; V691-D793 WeakPolarHBondContact CA-OD2 3.44Å; V691-D793 HydrophobicContact CB-CB 4.31Å; V691-D793 HydrophobicContact CG2-CB 3.69Å
692	R	81.4	Confident	85.4	Confident	158 Å²	158	44.3 Å²	44.3	60%	0.596	21%	0.212	S	C	*	.	H	α-helix	trans	68.2	151.7	-173	-46.3	173.9	177.5	-163	-3.4	112.6	K689 S690 Q694 N695 F696 Y752	K689-R692 PolarHBondContact O-N 3.08Å; S690-R692 VanDerWaalsContact C-N 3.29Å; S690-R692 PolarHBondContact O-N 3.32Å; R692-Q694 VanDerWaalsContact C-N 3.26Å; R692-Q694 PolarHBondContact O-N 2.48Å; R692-N695 PolarHBondContact O-N 3.11Å; R692-F696 PolarHBondContact O-N 3.02Å; R692-Y752 VanDerWaalsContact CA-OH 3.31Å; R692-Y752 WeakPolarHBondContact CA-OH 3.38Å; R692-Y752 PolarHBondContact N-OH 3.45Å
693	P	80.6	Confident	85	Confident	74 Å²	74	44.3 Å²	44.3	48%	0.481	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-35.9	-178.3	-24.4	32.6	0	0	0	114.1	F696 E697 Y752	P693-F696 PolarHBondContact O-N 3.14Å; P693-E697 PolarHBondContact O-N 2.83Å; P693-E697 VanDerWaalsContact O-N 3.14Å; P693-Y752 HydrophobicContact CB-CD1 4.36Å; P693-Y752 HydrophobicContact CB-CE1 4.32Å; P693-Y752 HydrophobicContact CG-CD1 4.05Å; P693-Y752 HydrophobicContact CG-CE1 3.71Å
694	Q	78.4	Confident	84.8	Confident	153 Å²	153	45.4 Å²	45.4	72%	0.715	22%	0.217	S	C	*	.	H	α-helix	trans	-65.7	-46.9	-178.8	-67.5	171.6	1.5	0	0	111.6	R692 F696 E697 L698	R692-Q694 VanDerWaalsContact C-N 3.26Å; R692-Q694 PolarHBondContact O-N 2.48Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-E697 PolarHBondContact O-N 3.16Å; Q694-L698 WeakPolarHBondContact O-CG 3.36Å; Q694-L698 PolarHBondContact O-N 3.07Å
695	N	76.6	Confident	84.2	Confident	41 Å²	41	49.4 Å²	49.4	22%	0.219	24%	0.236	C	C	.	.	H	α-helix	trans	-72.7	-29.5	178	-52.6	-15.5	0	0	0	111.2	V691 R692 E697 L698 V699 D793 V819	V691-N695 HydrophobicContact CG1-CB 3.96Å; V691-N695 WeakPolarHBondContact O-CB 3.04Å; V691-N695 VanDerWaalsContact O-CG 3.27Å; V691-N695 PolarHBondContact O-ND2 3.3Å; R692-N695 PolarHBondContact O-N 3.11Å; N695-E697 VanDerWaalsContact C-N 3.33Å; N695-E697 PolarHBondContact O-N 3.24Å; N695-L698 CarbonylContact O-C 3.6Å; N695-L698 WeakPolarHBondContact O-CA 3.32Å; N695-L698 VanDerWaalsContact O-CB 3.3Å; N695-L698 WeakPolarHBondContact O-CB 2.91Å; N695-L698 PolarHBondContact O-N 3.15Å; N695-V699 WeakPolarHBondContact O-CG2 3.24Å; N695-V699 PolarHBondContact O-N 3.09Å; N695-D793 PolarHBondContact ND2-OD2 2.86Å; N695-D793 VanDerWaalsContact ND2-OD2 3.16Å; N695-V819 HydrophobicContact CB-CG1 4.24Å
696	F	85.6	Confident	83.8	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-39.2	176.2	-169	-108.2	0	0	0	112.2	I685 D686 V691 R692 P693 Q694 L698 V699 K700 Q723 V750 Y752	I685-F696 HydrophobicContact CD1-CE2 4.06Å; I685-F696 HydrophobicContact CD1-CZ 3.96Å; D686-F696 WeakPolarHBondContact O-CD2 3.21Å; V691-F696 HydrophobicContact CG1-CB 4.14Å; V691-F696 HydrophobicContact CG1-CD2 4.49Å; R692-F696 PolarHBondContact O-N 3.02Å; P693-F696 PolarHBondContact O-N 3.14Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; F696-L698 VanDerWaalsContact C-N 3.26Å; F696-L698 PolarHBondContact O-N 2.03Å; F696-V699 PolarHBondContact O-N 3.47Å; F696-K700 VanDerWaalsContact CE1-CE 3.4Å; F696-K700 PolarHBondContact O-N 3.05Å; F696-K700 VanDerWaalsContact O-N 3.07Å; F696-Q723 HydrophobicContact CZ-CG 4.43Å; F696-V750 HydrophobicContact CZ-CG1 4.15Å; F696-Y752 HydrophobicContact CB-CD2 3.83Å; F696-Y752 HydrophobicContact CB-CE2 4.01Å; F696-Y752 HydrophobicContact CB-CG 4.45Å; F696-Y752 AromaticContact CD1-CD2 3.64Å; F696-Y752 HydrophobicContact CD1-CD2 3.64Å; F696-Y752 AromaticContact CD1-CG 3.97Å; F696-Y752 HydrophobicContact CD1-CG 3.97Å; F696-Y752 AromaticContact CD2-CD2 3.7Å; F696-Y752 HydrophobicContact CD2-CD2 3.7Å; F696-Y752 HydrophobicContact CD2-CE2 4.1Å; F696-Y752 HydrophobicContact CE1-CD2 4.08Å; F696-Y752 HydrophobicContact CE1-CG 4.43Å; F696-Y752 HydrophobicContact CE2-CD2 4.17Å; F696-Y752 AromaticContact CG-CD2 3.42Å; F696-Y752 HydrophobicContact CG-CD2 3.42Å; F696-Y752 VanDerWaalsContact CG-CD2 3.42Å; F696-Y752 AromaticContact CG-CE2 3.99Å; F696-Y752 HydrophobicContact CG-CE2 3.99Å; F696-Y752 HydrophobicContact CG-CG 4.15Å; F696-Y752 HydrophobicContact CZ-CD2 4.35Å
697	E	85.3	Confident	83.6	Confident	76 Å²	76	49.2 Å²	49.2	36%	0.355	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-29.5	171.5	-72.2	-58.8	131.9	0	0	112.7	P693 Q694 N695 K700 K701	P693-E697 PolarHBondContact O-N 2.83Å; P693-E697 VanDerWaalsContact O-N 3.14Å; Q694-E697 PolarHBondContact O-N 3.16Å; N695-E697 VanDerWaalsContact C-N 3.33Å; N695-E697 PolarHBondContact O-N 3.24Å; E697-K700 IonicContact OE1-NZ 3.56Å; E697-K700 PolarHBondContact OE1-NZ 3.39Å; E697-K701 WeakPolarHBondContact O-CG 3.41Å; E697-K701 PolarHBondContact O-N 3.12Å
698	L	78.9	Confident	83.4	Confident	64 Å²	64	53.8 Å²	53.8	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-70.3	-41	172.7	-61	178.7	0	0	0	111.8	Q694 N695 F696 K700 K701 F702 F845	Q694-L698 WeakPolarHBondContact O-CG 3.36Å; Q694-L698 PolarHBondContact O-N 3.07Å; N695-L698 CarbonylContact O-C 3.6Å; N695-L698 WeakPolarHBondContact O-CA 3.32Å; N695-L698 VanDerWaalsContact O-CB 3.3Å; N695-L698 WeakPolarHBondContact O-CB 2.91Å; N695-L698 PolarHBondContact O-N 3.15Å; F696-L698 VanDerWaalsContact C-N 3.26Å; F696-L698 PolarHBondContact O-N 2.03Å; L698-K700 VanDerWaalsContact C-N 3.32Å; L698-K700 PolarHBondContact O-N 2.72Å; L698-K701 PolarHBondContact O-N 2.85Å; L698-F702 WeakPolarHBondContact O-CB 3.4Å; L698-F702 PolarHBondContact O-N 3.42Å; L698-F845 HydrophobicContact CB-CE1 4.17Å; L698-F845 HydrophobicContact CB-CZ 3.68Å; L698-F845 HydrophobicContact CD1-CE2 4.27Å; L698-F845 HydrophobicContact CD1-CZ 3.89Å; L698-F845 HydrophobicContact CD2-CE1 4.44Å; L698-F845 HydrophobicContact CD2-CE2 4.19Å; L698-F845 HydrophobicContact CD2-CZ 3.48Å; L698-F845 VanDerWaalsContact CD2-CZ 3.48Å; L698-F845 HydrophobicContact CG-CZ 3.81Å
699	V	84.9	Confident	82.9	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-40.9	175	174	0	0	0	0	110.9	I685 N695 F696 K701 F702 V703 F791 V819	I685-V699 HydrophobicContact CB-CG1 4.15Å; I685-V699 HydrophobicContact CG2-CG1 3.68Å; N695-V699 WeakPolarHBondContact O-CG2 3.24Å; N695-V699 PolarHBondContact O-N 3.09Å; F696-V699 PolarHBondContact O-N 3.47Å; V699-K701 PolarHBondContact O-N 3.2Å; V699-F702 WeakPolarHBondContact O-CB 3.46Å; V699-F702 PolarHBondContact O-N 2.75Å; V699-V703 WeakPolarHBondContact O-CG2 3.49Å; V699-V703 PolarHBondContact O-N 3.02Å; V699-F791 HydrophobicContact CG1-CB 4.26Å; V699-F791 HydrophobicContact CG1-CD1 4.26Å; V699-F791 HydrophobicContact CG1-CD2 4.41Å; V699-F791 HydrophobicContact CG1-CG 4.06Å; V699-V819 HydrophobicContact CG2-CG2 4.16Å
700	K	88.1	Confident	82.7	Confident	13 Å²	13	48 Å²	48	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-43.5	173.9	-70.3	178.4	-178.7	174	0	112.9	F696 E697 L698 F702 V703 N704 V747 M748 V750	F696-K700 VanDerWaalsContact CE1-CE 3.4Å; F696-K700 PolarHBondContact O-N 3.05Å; F696-K700 VanDerWaalsContact O-N 3.07Å; E697-K700 IonicContact OE1-NZ 3.56Å; E697-K700 PolarHBondContact OE1-NZ 3.39Å; L698-K700 VanDerWaalsContact C-N 3.32Å; L698-K700 PolarHBondContact O-N 2.72Å; K700-F702 VanDerWaalsContact C-N 3.34Å; K700-V703 PolarHBondContact O-N 3.43Å; K700-N704 PolarHBondContact O-N 2.94Å; K700-N704 VanDerWaalsContact O-N 3.09Å; K700-V747 HydrophobicContact CB-CG1 4.05Å; K700-V747 HydrophobicContact CG-CG1 4.27Å; K700-M748 HydrophobicContact CB-SD 4.08Å; K700-V750 WeakPolarHBondContact CE-O 3.07Å; K700-V750 PolarHBondContact NZ-O 3.48Å
701	K	84.9	Confident	82.6	Confident	114 Å²	114	50.7 Å²	50.7	50%	0.496	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-40.4	176	-71	178.5	-177.1	-179.2	0	111.8	E697 L698 V699 N704 Q705	E697-K701 WeakPolarHBondContact O-CG 3.41Å; E697-K701 PolarHBondContact O-N 3.12Å; L698-K701 PolarHBondContact O-N 2.85Å; V699-K701 PolarHBondContact O-N 3.2Å; K701-N704 PolarHBondContact O-N 2.96Å; K701-Q705 WeakPolarHBondContact O-CG 3.47Å; K701-Q705 PolarHBondContact O-N 2.97Å
702	F	83.4	Confident	82.8	Confident	11 Å²	11	51.3 Å²	51.3	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-49.8	174.9	-175.8	-69.4	0	0	0	110.7	L698 V699 K700 N704 Q705 V706 F791 I848 I851	L698-F702 WeakPolarHBondContact O-CB 3.4Å; L698-F702 PolarHBondContact O-N 3.42Å; V699-F702 WeakPolarHBondContact O-CB 3.46Å; V699-F702 PolarHBondContact O-N 2.75Å; K700-F702 VanDerWaalsContact C-N 3.34Å; F702-N704 VanDerWaalsContact C-N 3.27Å; F702-N704 PolarHBondContact O-N 2.98Å; F702-Q705 PolarHBondContact O-N 2.69Å; F702-Q705 VanDerWaalsContact O-N 3.12Å; F702-V706 HydrophobicContact CD1-CG2 3.82Å; F702-V706 HydrophobicContact CE1-CG2 3.47Å; F702-V706 VanDerWaalsContact CE1-CG2 3.47Å; F702-V706 HydrophobicContact CZ-CG2 4.41Å; F702-V706 PolarHBondContact O-N 3.41Å; F702-F791 AromaticContact CD1-CE1 3.3Å; F702-F791 HydrophobicContact CD1-CE1 3.3Å; F702-F791 AromaticContact CD1-CZ 3.25Å; F702-F791 HydrophobicContact CD1-CZ 3.25Å; F702-F791 HydrophobicContact CD2-CE1 4.28Å; F702-F791 AromaticContact CE1-CE1 3.33Å; F702-F791 HydrophobicContact CE1-CE1 3.33Å; F702-F791 AromaticContact CE1-CZ 3.25Å; F702-F791 HydrophobicContact CE1-CZ 3.25Å; F702-F791 HydrophobicContact CE2-CE1 4.25Å; F702-F791 AromaticContact CG-CE1 3.84Å; F702-F791 HydrophobicContact CG-CE1 3.84Å; F702-F791 HydrophobicContact CG-CZ 4.21Å; F702-F791 AromaticContact CZ-CE1 3.82Å; F702-F791 HydrophobicContact CZ-CE1 3.82Å; F702-F791 HydrophobicContact CZ-CZ 4.16Å; F702-I848 HydrophobicContact CD2-CD1 3.45Å; F702-I848 VanDerWaalsContact CD2-CD1 3.45Å; F702-I848 HydrophobicContact CD2-CG1 3.3Å; F702-I848 HydrophobicContact CE2-CB 4.38Å; F702-I848 HydrophobicContact CE2-CD1 3.84Å; F702-I848 HydrophobicContact CE2-CG1 3.13Å; F702-I848 HydrophobicContact CG-CD1 4.22Å; F702-I848 HydrophobicContact CG-CG1 4.16Å; F702-I848 HydrophobicContact CZ-CG1 3.84Å; F702-I851 HydrophobicContact CZ-CD1 3.77Å
703	V	87.1	Confident	82.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-57.2	-43.1	178	164.7	0	0	0	0	111	L683 I685 V699 K700 Q705 V706 V707 V747 F791	L683-V703 HydrophobicContact CD1-CB 4.29Å; L683-V703 HydrophobicContact CD1-CG1 3.4Å; L683-V703 HydrophobicContact CD1-CG2 4.09Å; I685-V703 HydrophobicContact CG2-CG2 4.11Å; V699-V703 WeakPolarHBondContact O-CG2 3.49Å; V699-V703 PolarHBondContact O-N 3.02Å; K700-V703 PolarHBondContact O-N 3.43Å; V703-Q705 PolarHBondContact O-N 2.92Å; V703-V706 PolarHBondContact O-N 2.81Å; V703-V707 HydrophobicContact CG1-CG2 4.45Å; V703-V707 VanDerWaalsContact O-CG2 3.29Å; V703-V707 WeakPolarHBondContact O-CG2 3.5Å; V703-V707 PolarHBondContact O-N 2.98Å; V703-V747 HydrophobicContact CB-CG1 4.03Å; V703-V747 HydrophobicContact CG1-CB 4.32Å; V703-V747 HydrophobicContact CG1-CG1 3.76Å; V703-V747 HydrophobicContact CG1-CG2 3.58Å; V703-F791 HydrophobicContact CG2-CE2 4.1Å; V703-F791 HydrophobicContact CG2-CZ 4.36Å
704	N	89	Confident	82	Confident	22 Å²	22	43.7 Å²	43.7	12%	0.118	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-39.2	177.3	-73	-8	0	0	0	113	K700 K701 F702 V707 D708 K744 V747 M748	K700-N704 PolarHBondContact O-N 2.94Å; K700-N704 VanDerWaalsContact O-N 3.09Å; K701-N704 PolarHBondContact O-N 2.96Å; F702-N704 VanDerWaalsContact C-N 3.27Å; F702-N704 PolarHBondContact O-N 2.98Å; N704-V707 PolarHBondContact O-N 2.87Å; N704-D708 PolarHBondContact O-N 2.76Å; N704-K744 HydrophobicContact CB-CD 4.21Å; N704-K744 HydrophobicContact CB-CG 3.93Å; N704-K744 VanDerWaalsContact OD1-CA 3.31Å; N704-K744 WeakPolarHBondContact OD1-CA 3.39Å; N704-V747 WeakPolarHBondContact OD1-CB 3.4Å; N704-V747 WeakPolarHBondContact OD1-CG1 3.3Å; N704-M748 WeakPolarHBondContact ND2-CG 3.39Å; N704-M748 PolarHBondContact ND2-SD 3.08Å; N704-M748 VanDerWaalsContact ND2-SD 3.43Å
705	Q	82.4	Confident	81.5	Confident	86 Å²	86	44.1 Å²	44.1	40%	0.402	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-37.6	176.6	-72.2	175.7	-38.5	0	0	112.3	K701 F702 V703 V707 D708 S709 I848	K701-Q705 WeakPolarHBondContact O-CG 3.47Å; K701-Q705 PolarHBondContact O-N 2.97Å; F702-Q705 PolarHBondContact O-N 2.69Å; F702-Q705 VanDerWaalsContact O-N 3.12Å; V703-Q705 PolarHBondContact O-N 2.92Å; Q705-V707 VanDerWaalsContact C-N 3.34Å; Q705-D708 PolarHBondContact O-N 3.18Å; Q705-S709 PolarHBondContact O-N 3.39Å; Q705-I848 HydrophobicContact CB-CG2 3.97Å
706	V	83.6	Confident	81.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-46.1	171.3	174	0	0	0	0	109.9	L681 F702 V703 D708 S709 L710 L855	L681-V706 HydrophobicContact CD2-CG1 4.35Å; F702-V706 HydrophobicContact CD1-CG2 3.82Å; F702-V706 HydrophobicContact CE1-CG2 3.47Å; F702-V706 VanDerWaalsContact CE1-CG2 3.47Å; F702-V706 HydrophobicContact CZ-CG2 4.41Å; F702-V706 PolarHBondContact O-N 3.41Å; V703-V706 PolarHBondContact O-N 2.81Å; V706-D708 VanDerWaalsContact C-N 3.34Å; V706-D708 PolarHBondContact O-N 2.69Å; V706-S709 WeakPolarHBondContact O-CB 3.29Å; V706-S709 PolarHBondContact O-N 3.01Å; V706-S709 VanDerWaalsContact O-N 3.08Å; V706-S709 PolarHBondContact O-OG 3.47Å; V706-L710 HydrophobicContact CG1-CD1 4.08Å; V706-L710 WeakPolarHBondContact O-CG 3.45Å; V706-L855 HydrophobicContact CG1-CD1 3.9Å
707	V	86.8	Confident	81.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-37.6	179.2	173	0	0	0	0	112.3	V703 N704 Q705 S709 L710 V712 A740 I743 K744	V703-V707 HydrophobicContact CG1-CG2 4.45Å; V703-V707 VanDerWaalsContact O-CG2 3.29Å; V703-V707 WeakPolarHBondContact O-CG2 3.5Å; V703-V707 PolarHBondContact O-N 2.98Å; N704-V707 PolarHBondContact O-N 2.87Å; Q705-V707 VanDerWaalsContact C-N 3.34Å; V707-S709 PolarHBondContact O-N 3.29Å; V707-L710 PolarHBondContact O-N 2.78Å; V707-V712 HydrophobicContact CG1-CG2 4.27Å; V707-A740 HydrophobicContact CG1-CB 3.84Å; V707-I743 HydrophobicContact CG1-CB 4.19Å; V707-I743 HydrophobicContact CG1-CD1 4.48Å; V707-I743 HydrophobicContact CG1-CG2 4.06Å; V707-I743 HydrophobicContact CG2-CG2 3.76Å; V707-K744 HydrophobicContact CB-CG 4.41Å; V707-K744 HydrophobicContact CG1-CG 4.12Å
708	D	83.7	Confident	81.7	Confident	96 Å²	96	41.4 Å²	41.4	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-25.2	174.8	-79	-31.6	0	0	0	113.3	N704 Q705 V706 K744	N704-D708 PolarHBondContact O-N 2.76Å; Q705-D708 PolarHBondContact O-N 3.18Å; V706-D708 VanDerWaalsContact C-N 3.34Å; V706-D708 PolarHBondContact O-N 2.69Å; D708-K744 VanDerWaalsContact OD1-CD 3.29Å; D708-K744 WeakPolarHBondContact OD1-CD 3.31Å; D708-K744 WeakPolarHBondContact OD1-CE 3.42Å; D708-K744 IonicContact OD1-NZ 3.46Å; D708-K744 PolarHBondContact OD1-NZ 3.39Å
709	S	76.8	Confident	82.4	Confident	20 Å²	20	38.4 Å²	38.4	14%	0.14	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.3	-178.4	77.6	0	0	0	0	113.8	Q705 V706 V707 A852 K856	Q705-S709 PolarHBondContact O-N 3.39Å; V706-S709 WeakPolarHBondContact O-CB 3.29Å; V706-S709 PolarHBondContact O-N 3.01Å; V706-S709 VanDerWaalsContact O-N 3.08Å; V706-S709 PolarHBondContact O-OG 3.47Å; V707-S709 PolarHBondContact O-N 3.29Å; S709-A852 WeakPolarHBondContact OG-CB 3.02Å; S709-K856 WeakPolarHBondContact O-CE 3.49Å
710	L	79.6	Confident	82.8	Confident	18 Å²	18	38.2 Å²	38.2	9%	0.094	20%	0.197	C	C	.	.	S	Bend	trans	-106.5	145.1	-173.6	-63.1	171.1	0	0	0	111.7	I679 L681 V706 V707 V712 T717 V719 L855	I679-L710 HydrophobicContact CD1-CD2 4.38Å; L681-L710 HydrophobicContact CD2-CD1 3.52Å; V706-L710 HydrophobicContact CG1-CD1 4.08Å; V706-L710 WeakPolarHBondContact O-CG 3.45Å; V707-L710 PolarHBondContact O-N 2.78Å; L710-V712 VanDerWaalsContact C-N 3.3Å; L710-V712 HydrophobicContact CB-CG2 4.14Å; L710-V712 PolarHBondContact O-N 3.15Å; L710-T717 HydrophobicContact CB-CG2 4.31Å; L710-T717 HydrophobicContact CD1-CG2 4.19Å; L710-V719 HydrophobicContact CD1-CG2 4.46Å; L710-L855 HydrophobicContact CD2-CB 4.15Å
711	D	78.3	Confident	83.2	Confident	106 Å²	106	37.6 Å²	37.6	57%	0.567	19%	0.194	S	C	*	.			trans	-82.1	75.8	171.6	-170.1	14.3	0	0	0	110.4	S713 T717	D711-S713 PolarHBondContact O-N 3.29Å; D711-T717 WeakPolarHBondContact O-CB 3.48Å; D711-T717 PolarHBondContact O-N 3.33Å; D711-T717 VanDerWaalsContact O-N 3.13Å
712	V	82.6	Confident	83.7	Confident	17 Å²	17	32.2 Å²	32.2	10%	0.103	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-72.9	118.8	-178.7	-179	0	0	0	0	110	V707 L710 T717 V719 A740 I743	V707-V712 HydrophobicContact CG1-CG2 4.27Å; L710-V712 VanDerWaalsContact C-N 3.3Å; L710-V712 HydrophobicContact CB-CG2 4.14Å; L710-V712 PolarHBondContact O-N 3.15Å; V712-T717 WeakPolarHBondContact CA-O 3.34Å; V712-V719 HydrophobicContact CG2-CG2 4.2Å; V712-A740 HydrophobicContact CB-CB 4.39Å; V712-A740 HydrophobicContact CG2-CB 4.35Å; V712-I743 HydrophobicContact CG1-CD1 3.58Å; V712-I743 HydrophobicContact CG2-CD1 4.24Å
713	S	78.1	Confident	84.3	Confident	39 Å²	39	31.7 Å²	31.7	27%	0.273	17%	0.168	S	C	.	.			trans	-156.4	164.8	170.6	69.8	0	0	0	0	111.3	D711 H715 G716 T717 H738	D711-S713 PolarHBondContact O-N 3.29Å; S713-H715 PolarHBondContact O-N 3.1Å; S713-H715 VanDerWaalsContact O-N 3.11Å; S713-G716 PolarHBondContact O-N 2.84Å; S713-G716 VanDerWaalsContact OG-CA 3.31Å; S713-G716 WeakPolarHBondContact OG-CA 3.2Å; S713-G716 PolarHBondContact OG-N 3.34Å; S713-T717 PolarHBondContact N-O 3.36Å; S713-H738 WeakPolarHBondContact CA-O 3.25Å
714	A	68.8	Low	84.6	Confident	33 Å²	33	31.6 Å²	31.6	27%	0.273	17%	0.168	S	C	.	.	S	Bend	trans	-58.4	-26.6	177.8	0	0	0	0	0	113.6	R718 H738	A714-R718 PolarHBondContact O-NE 3.34Å; A714-R718 PolarHBondContact O-NH2 2.64Å; A714-H738 HydrophobicContact CB-CB 4.26Å
715	H	67.9	Low	84.7	Confident	161 Å²	161	30.6 Å²	30.6	75%	0.745	16%	0.162	S	C	*	.	S	Bend	trans	-103.2	-18.2	179.5	-58.6	-61.4	0	0	0	113.6	S713	S713-H715 PolarHBondContact O-N 3.1Å; S713-H715 VanDerWaalsContact O-N 3.11Å
716	G	75.1	Confident	84.9	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	-98.1	-119.5	-176.6	0	0	0	0	0	113.3	N678 S713 R778	N678-G716 WeakPolarHBondContact OD1-CA 3.23Å; S713-G716 PolarHBondContact O-N 2.84Å; S713-G716 VanDerWaalsContact OG-CA 3.31Å; S713-G716 WeakPolarHBondContact OG-CA 3.2Å; S713-G716 PolarHBondContact OG-N 3.34Å; G716-R778 PolarHBondContact O-NH1 2.98Å; G716-R778 PolarHBondContact O-NH2 2.04Å
717	T	86.1	Confident	85.1	Confident	5 Å²	5	36 Å²	36	3%	0.031	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-83.9	130.5	177.3	-64.7	0	0	0	0	111.7	I679 L710 D711 V712 S713 V719	I679-T717 HydrophobicContact CD1-CG2 4.2Å; I679-T717 HydrophobicContact CG1-CG2 3.63Å; I679-T717 WeakPolarHBondContact CG1-OG1 3.49Å; I679-T717 VanDerWaalsContact O-CA 3.3Å; I679-T717 WeakPolarHBondContact O-CA 3.45Å; L710-T717 HydrophobicContact CB-CG2 4.31Å; L710-T717 HydrophobicContact CD1-CG2 4.19Å; D711-T717 WeakPolarHBondContact O-CB 3.48Å; D711-T717 PolarHBondContact O-N 3.33Å; D711-T717 VanDerWaalsContact O-N 3.13Å; V712-T717 WeakPolarHBondContact CA-O 3.34Å; S713-T717 PolarHBondContact N-O 3.36Å; T717-V719 HydrophobicContact CG2-CG2 4.1Å
718	R	90.1	Very high	85.4	Confident	54 Å²	54	37.5 Å²	37.5	20%	0.204	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.3	173.5	-64.6	179	-178.1	-175.7	-3.1	109.9	I679 L681 A714 L734 G776	I679-R718 PolarHBondContact O-N 2.69Å; L681-R718 PolarHBondContact N-O 3.49Å; A714-R718 PolarHBondContact O-NE 3.34Å; A714-R718 PolarHBondContact O-NH2 2.64Å; R718-L734 HydrophobicContact CB-CB 4.26Å; R718-L734 HydrophobicContact CB-CD2 4.09Å; R718-L734 WeakPolarHBondContact O-CD2 3.41Å; R718-G776 PolarHBondContact NH1-O 2.78Å
719	V	93.3	Very high	85.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.8	-176.5	-172.1	0	0	0	0	110.7	L681 L683 L710 V712 T717 I743	L681-V719 HydrophobicContact CD2-CG1 4.45Å; L681-V719 HydrophobicContact CD2-CG2 4.42Å; L681-V719 CarbonylContact O-C 3.56Å; L681-V719 VanDerWaalsContact O-CA 3.26Å; L681-V719 WeakPolarHBondContact O-CA 3.41Å; L683-V719 HydrophobicContact CD1-CG1 3.85Å; L683-V719 HydrophobicContact CG-CG1 4.18Å; L710-V719 HydrophobicContact CD1-CG2 4.46Å; V712-V719 HydrophobicContact CG2-CG2 4.2Å; T717-V719 HydrophobicContact CG2-CG2 4.1Å; V719-I743 HydrophobicContact CB-CD1 3.91Å; V719-I743 HydrophobicContact CG2-CD1 4.14Å
720	G	94.3	Very high	86.6	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.9	172.1	0	0	0	0	0	110.8	L681 V682 L683 F732	L681-G720 PolarHBondContact O-N 2.84Å; V682-G720 WeakPolarHBondContact CA-O 3.06Å; L683-G720 PolarHBondContact N-O 3.33Å; G720-F732 WeakPolarHBondContact CA-O 3.33Å
721	L	96.1	Very high	87.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.9	179.6	-176.8	70.9	0	0	0	111	L683 I685 E731 F732 V747 V750	L683-L721 HydrophobicContact CB-CD1 3.61Å; L683-L721 HydrophobicContact CD1-CD1 4.29Å; I685-L721 HydrophobicContact CD1-CD1 4Å; I685-L721 HydrophobicContact CD1-CD2 4.23Å; I685-L721 HydrophobicContact CD1-CG 4.32Å; I685-L721 HydrophobicContact CG1-CD1 3.98Å; I685-L721 HydrophobicContact CG2-CD1 3.89Å; L721-E731 HydrophobicContact CB-CB 4.3Å; L721-E731 HydrophobicContact CD2-CB 4.03Å; L721-E731 HydrophobicContact CD2-CG 4.12Å; L721-E731 HydrophobicContact CG-CB 4.21Å; L721-E731 HydrophobicContact CG-CG 4.28Å; L721-E731 PolarHBondContact O-N 2.94Å; L721-F732 HydrophobicContact CB-CD1 4.02Å; L721-F732 HydrophobicContact CB-CD2 4.22Å; L721-F732 HydrophobicContact CB-CE1 3.48Å; L721-F732 VanDerWaalsContact CB-CE1 3.48Å; L721-F732 HydrophobicContact CB-CE2 3.69Å; L721-F732 HydrophobicContact CB-CG 4.37Å; L721-F732 HydrophobicContact CB-CZ 3.29Å; L721-F732 HydrophobicContact CD2-CD1 4.41Å; L721-F732 HydrophobicContact CD2-CE1 3.57Å; L721-F732 HydrophobicContact CD2-CZ 3.95Å; L721-F732 HydrophobicContact CG-CE1 4.18Å; L721-F732 HydrophobicContact CG-CZ 4.25Å; L721-F732 PolarHBondContact N-O 3.18Å; L721-F732 PolarHBondContact O-N 3.34Å; L721-V747 HydrophobicContact CD2-CG2 4.04Å; L721-V750 HydrophobicContact CD2-CG2 3.78Å
722	V	95.9	Very high	88.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.1	178.1	179.3	0	0	0	0	108.4	V682 L683 L684 I685 V728 S770	V682-V722 HydrophobicContact CG1-CG2 4.05Å; L683-V722 PolarHBondContact O-N 3.03Å; L684-V722 CarbonylContact C-O 3.43Å; L684-V722 WeakPolarHBondContact CA-O 3.31Å; L684-V722 HydrophobicContact CD2-CB 3.8Å; L684-V722 HydrophobicContact CD2-CG1 3.72Å; I685-V722 WeakPolarHBondContact CG1-O 2.91Å; I685-V722 PolarHBondContact N-O 3.46Å; V722-V728 HydrophobicContact CG1-CG1 3.31Å; V722-S770 WeakPolarHBondContact CG2-OG 3.46Å
723	Q	94.9	Very high	88.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.8	173	-170.8	-175.7	5.5	0	0	110.2	I685 F696 R729 E731 D751 M753	I685-Q723 HydrophobicContact CD1-CB 4.13Å; I685-Q723 HydrophobicContact CD1-CG 4.12Å; I685-Q723 HydrophobicContact CG1-CB 3.85Å; I685-Q723 HydrophobicContact CG1-CG 3.96Å; I685-Q723 WeakPolarHBondContact O-CA 2.93Å; F696-Q723 HydrophobicContact CZ-CG 4.43Å; Q723-R729 PolarHBondContact N-O 3.47Å; Q723-R729 PolarHBondContact O-N 2.04Å; Q723-E731 HydrophobicContact CB-CG 4.1Å; Q723-E731 PolarHBondContact OE1-OE1 3.39Å; Q723-D751 PolarHBondContact NE2-O 2.98Å; Q723-D751 PolarHBondContact OE1-O 3.43Å; Q723-M753 HydrophobicContact CB-SD 4.3Å; Q723-M753 HydrophobicContact CG-CG 4.37Å; Q723-M753 HydrophobicContact CG-SD 3.67Å
724	Y	93	Very high	89.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.3	178.3	70.3	-86.8	0	0	0	113.1	L684 I685 D686 G687 R727 T757 T759 A762 F791 T792	L684-Y724 HydrophobicContact CB-CD1 4.45Å; L684-Y724 HydrophobicContact CB-CE1 4.19Å; L684-Y724 HydrophobicContact CD2-CD1 4.39Å; I685-Y724 WeakPolarHBondContact O-CD1 3.19Å; I685-Y724 PolarHBondContact O-N 3.14Å; D686-Y724 HydrophobicContact CB-CE1 4.16Å; D686-Y724 HydrophobicContact CB-CE2 4.07Å; G687-Y724 WeakPolarHBondContact CA-O 3.47Å; G687-Y724 PolarHBondContact N-O 2.67Å; Y724-R727 WeakPolarHBondContact CA-O 3.3Å; Y724-T757 HydrophobicContact CE2-CG2 4.18Å; Y724-T759 HydrophobicContact CE2-CG2 4.35Å; Y724-T759 WeakPolarHBondContact CE2-OG1 3.09Å; Y724-T759 PolarHBondContact OH-OG1 3.11Å; Y724-A762 HydrophobicContact CD1-CB 3.56Å; Y724-A762 HydrophobicContact CD2-CB 3.82Å; Y724-A762 HydrophobicContact CE1-CB 4.12Å; Y724-A762 HydrophobicContact CE2-CB 4.35Å; Y724-A762 HydrophobicContact CG-CB 3.38Å; Y724-F791 PolarHBondContact OH-O 3.05Å; Y724-F791 VanDerWaalsContact OH-O 3.13Å; Y724-T792 WeakPolarHBondContact OH-CB 3.17Å
725	S	91	Very high	90.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-152.8	-119	170.6	58.4	0	0	0	0	108.2	R727 M753 G756 M758	S725-R727 PolarHBondContact N-O 3.46Å; S725-R727 PolarHBondContact O-N 3.07Å; S725-M753 WeakPolarHBondContact OG-CB 3.42Å; S725-M753 WeakPolarHBondContact OG-CE 3.47Å; S725-M753 PolarHBondContact OG-SD 2.92Å; S725-G756 CarbonylContact C-O 3.51Å; S725-G756 WeakPolarHBondContact CA-O 3.42Å; S725-G756 VanDerWaalsContact CB-O 3.28Å; S725-G756 WeakPolarHBondContact CB-O 3.18Å; S725-M758 VanDerWaalsContact O-CB 3.27Å; S725-M758 WeakPolarHBondContact O-CB 3.04Å; S725-M758 WeakPolarHBondContact O-CG 2.97Å; S725-M758 PolarHBondContact O-N 3.28Å
726	S	87.1	Confident	91.6	Very high	57 Å²	57	32.1 Å²	32.1	40%	0.399	16%	0.157	S	C	.	.	S	Bend	trans	-74.4	-7.2	164.9	-63.4	0	0	0	0	113.3	K755 G756	S726-K755 WeakPolarHBondContact OG-CB 3.03Å; S726-G756 PolarHBondContact N-O 2.95Å; S726-G756 VanDerWaalsContact N-O 3.12Å; S726-G756 WeakPolarHBondContact OG-CA 3.35Å; S726-G756 PolarHBondContact OG-N 3.47Å
727	R	87.9	Confident	92.5	Very high	143 Å²	143	34.9 Å²	34.9	54%	0.54	17%	0.167	S	C	.	.	S	Bend	trans	-144.1	156.7	174.2	66.9	-175.3	176	173.3	1	108.3	Y724 S725 M753	Y724-R727 WeakPolarHBondContact CA-O 3.3Å; S725-R727 PolarHBondContact N-O 3.46Å; S725-R727 PolarHBondContact O-N 3.07Å; R727-M753 HydrophobicContact CG-CE 3.39Å
728	V	92.7	Very high	92.5	Very high	31 Å²	31	38.7 Å²	38.7	19%	0.188	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.2	177.2	-173.5	0	0	0	0	109.2	V722 L761 A762 H765	V722-V728 HydrophobicContact CG1-CG1 3.31Å; V728-L761 HydrophobicContact CG2-CB 4.24Å; V728-L761 HydrophobicContact CG2-CD2 3.98Å; V728-L761 HydrophobicContact CG2-CG 3.73Å; V728-A762 HydrophobicContact CG2-CB 4.18Å; V728-H765 HydrophobicContact CB-CB 4.28Å; V728-H765 HydrophobicContact CG1-CB 3.72Å; V728-H765 HydrophobicContact CG2-CB 4.45Å
729	R	92.4	Very high	92.4	Very high	84 Å²	84	38.5 Å²	38.5	32%	0.317	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125	176.7	-177.9	174.2	65.9	175.6	0.9	109.2	Q723 E731 D751 M753	Q723-R729 PolarHBondContact N-O 3.47Å; Q723-R729 PolarHBondContact O-N 2.04Å; R729-E731 IonicContact CZ-OE1 3.45Å; R729-E731 IonicContact CZ-OE2 3.04Å; R729-E731 IonicContact NE-OE1 2.7Å; R729-E731 PolarHBondContact NE-OE1 3.26Å; R729-E731 IonicContact NE-OE2 3.5Å; R729-E731 IonicContact NH2-OE1 2.69Å; R729-E731 PolarHBondContact NH2-OE1 2.03Å; R729-E731 IonicContact NH2-OE2 3.88Å; R729-E731 PolarHBondContact NH2-OE2 2.71Å; R729-E731 PolarHBondContact O-N 2.87Å; R729-D751 PolarHBondContact NH2-O 2.8Å; R729-M753 HydrophobicContact CB-CE 4.44Å
730	T	94.4	Very high	92.1	Very high	41 Å²	41	39.2 Å²	39.2	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.2	164.6	-54.2	0	0	0	0	108.4	H765	T730-H765 PolarHBondContact OG1-CE1 2.9Å
731	E	95.1	Very high	91.9	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.224	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-42.2	173	-61.8	-57.5	143.6	0	0	110.2	L721 Q723 R729 V750	L721-E731 HydrophobicContact CB-CB 4.3Å; L721-E731 HydrophobicContact CD2-CB 4.03Å; L721-E731 HydrophobicContact CD2-CG 4.12Å; L721-E731 HydrophobicContact CG-CB 4.21Å; L721-E731 HydrophobicContact CG-CG 4.28Å; L721-E731 PolarHBondContact O-N 2.94Å; Q723-E731 HydrophobicContact CB-CG 4.1Å; Q723-E731 PolarHBondContact OE1-OE1 3.39Å; R729-E731 IonicContact CZ-OE1 3.45Å; R729-E731 IonicContact CZ-OE2 3.04Å; R729-E731 IonicContact NE-OE1 2.7Å; R729-E731 PolarHBondContact NE-OE1 3.26Å; R729-E731 IonicContact NE-OE2 3.5Å; R729-E731 IonicContact NH2-OE1 2.69Å; R729-E731 PolarHBondContact NH2-OE1 2.03Å; R729-E731 IonicContact NH2-OE2 3.88Å; R729-E731 PolarHBondContact NH2-OE2 2.71Å; R729-E731 PolarHBondContact O-N 2.87Å; E731-V750 HydrophobicContact CB-CG2 4.12Å; E731-V750 HydrophobicContact CG-CG1 3.88Å; E731-V750 HydrophobicContact CG-CG2 3.78Å
732	F	95.6	Very high	91.7	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	142	169	51.3	-94.9	0	0	0	112	G720 L721 M736 Y737 I743 A746 V747	G720-F732 WeakPolarHBondContact CA-O 3.33Å; L721-F732 HydrophobicContact CB-CD1 4.02Å; L721-F732 HydrophobicContact CB-CD2 4.22Å; L721-F732 HydrophobicContact CB-CE1 3.48Å; L721-F732 VanDerWaalsContact CB-CE1 3.48Å; L721-F732 HydrophobicContact CB-CE2 3.69Å; L721-F732 HydrophobicContact CB-CG 4.37Å; L721-F732 HydrophobicContact CB-CZ 3.29Å; L721-F732 HydrophobicContact CD2-CD1 4.41Å; L721-F732 HydrophobicContact CD2-CE1 3.57Å; L721-F732 HydrophobicContact CD2-CZ 3.95Å; L721-F732 HydrophobicContact CG-CE1 4.18Å; L721-F732 HydrophobicContact CG-CZ 4.25Å; L721-F732 PolarHBondContact N-O 3.18Å; L721-F732 PolarHBondContact O-N 3.34Å; F732-M736 HydrophobicContact CB-CB 4.24Å; F732-M736 HydrophobicContact CB-CG 4.34Å; F732-M736 HydrophobicContact CB-SD 3.5Å; F732-M736 WeakPolarHBondContact CB-SD 3.36Å; F732-Y737 HydrophobicContact CB-CD2 4.01Å; F732-Y737 HydrophobicContact CB-CE2 3.62Å; F732-Y737 HydrophobicContact CD1-CD2 4.28Å; F732-Y737 AromaticContact CD1-CE2 3.83Å; F732-Y737 HydrophobicContact CD1-CE2 3.83Å; F732-Y737 AromaticContact CD2-CD2 3.78Å; F732-Y737 HydrophobicContact CD2-CD2 3.78Å; F732-Y737 HydrophobicContact CD2-CE2 4.1Å; F732-Y737 HydrophobicContact CE1-CE2 4.5Å; F732-Y737 HydrophobicContact CE2-CD2 4.29Å; F732-Y737 AromaticContact CG-CD2 3.77Å; F732-Y737 HydrophobicContact CG-CD2 3.77Å; F732-Y737 AromaticContact CG-CE2 3.59Å; F732-Y737 HydrophobicContact CG-CE2 3.59Å; F732-I743 HydrophobicContact CE2-CG2 4.15Å; F732-I743 HydrophobicContact CZ-CG2 3.86Å; F732-A746 HydrophobicContact CD1-CB 3.92Å; F732-A746 HydrophobicContact CE1-CB 3.81Å; F732-V747 HydrophobicContact CE1-CG2 4.13Å; F732-V747 HydrophobicContact CZ-CG2 3.97Å
733	P	95.3	Very high	91.6	Very high	29 Å²	29	48.7 Å²	48.7	19%	0.188	24%	0.241	C	C	.	.			trans	-80.2	169.3	176.9	30.7	-34.4	0	0	0	113.9	N735 M736 E775	P733-N735 WeakPolarHBondContact CG-OD1 3.02Å; P733-N735 PolarHBondContact O-N 3.48Å; P733-N735 VanDerWaalsContact O-N 3.17Å; P733-M736 HydrophobicContact CG-CB 3.93Å; P733-M736 PolarHBondContact O-N 3.49Å; P733-M736 VanDerWaalsContact O-N 3.14Å; P733-E775 HydrophobicContact CB-CB 4.11Å; P733-E775 WeakPolarHBondContact CB-O 2.97Å; P733-E775 WeakPolarHBondContact CB-OE2 3.25Å
734	L	92.8	Very high	91.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23	-176.5	-68.9	162.7	0	0	0	113.6	D680 L681 V682 R718 S770 F771 E775 A777	D680-L734 HydrophobicContact CB-CD1 4.44Å; L681-L734 WeakPolarHBondContact O-CD2 2.99Å; V682-L734 HydrophobicContact CG2-CD1 4.15Å; V682-L734 HydrophobicContact CG2-CD2 4.06Å; V682-L734 HydrophobicContact CG2-CG 4.21Å; R718-L734 HydrophobicContact CB-CB 4.26Å; R718-L734 HydrophobicContact CB-CD2 4.09Å; R718-L734 WeakPolarHBondContact O-CD2 3.41Å; L734-S770 WeakPolarHBondContact CD1-O 3.22Å; L734-F771 HydrophobicContact CD1-CD1 4.27Å; L734-E775 WeakPolarHBondContact CB-O 3.38Å; L734-E775 PolarHBondContact N-O 2.87Å; L734-A777 HydrophobicContact CD1-CB 3.78Å
735	N	89.4	Confident	91.5	Very high	71 Å²	71	53.3 Å²	53.3	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	2	179.8	59.4	1.1	0	0	0	114.4	P733 H738 A774	P733-N735 WeakPolarHBondContact CG-OD1 3.02Å; P733-N735 PolarHBondContact O-N 3.48Å; P733-N735 VanDerWaalsContact O-N 3.17Å; N735-H738 PolarHBondContact O-CE1 2.85Å; N735-A774 PolarHBondContact ND2-O 2.96Å
736	M	92.1	Very high	91.6	Very high	99 Å²	99	53.9 Å²	53.9	49%	0.488	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-41.7	-174.4	-175	169.8	-174.4	0	0	113.6	F732 P733	F732-M736 HydrophobicContact CB-CB 4.24Å; F732-M736 HydrophobicContact CB-CG 4.34Å; F732-M736 HydrophobicContact CB-SD 3.5Å; F732-M736 WeakPolarHBondContact CB-SD 3.36Å; P733-M736 HydrophobicContact CG-CB 3.93Å; P733-M736 PolarHBondContact O-N 3.49Å; P733-M736 VanDerWaalsContact O-N 3.14Å
737	Y	92.4	Very high	91.9	Very high	61 Å²	61	51.3 Å²	51.3	24%	0.239	26%	0.257	C	S	.	.			trans	-121.6	146.9	-177.9	-59.3	-63.1	0	0	0	110.7	F732 D742 I743 A746	F732-Y737 HydrophobicContact CB-CD2 4.01Å; F732-Y737 HydrophobicContact CB-CE2 3.62Å; F732-Y737 HydrophobicContact CD1-CD2 4.28Å; F732-Y737 AromaticContact CD1-CE2 3.83Å; F732-Y737 HydrophobicContact CD1-CE2 3.83Å; F732-Y737 AromaticContact CD2-CD2 3.78Å; F732-Y737 HydrophobicContact CD2-CD2 3.78Å; F732-Y737 HydrophobicContact CD2-CE2 4.1Å; F732-Y737 HydrophobicContact CE1-CE2 4.5Å; F732-Y737 HydrophobicContact CE2-CD2 4.29Å; F732-Y737 AromaticContact CG-CD2 3.77Å; F732-Y737 HydrophobicContact CG-CD2 3.77Å; F732-Y737 AromaticContact CG-CE2 3.59Å; F732-Y737 HydrophobicContact CG-CE2 3.59Å; Y737-D742 HydrophobicContact CD1-CB 3.67Å; Y737-D742 HydrophobicContact CE1-CB 4.36Å; Y737-D742 HydrophobicContact CG-CB 4.14Å; Y737-I743 HydrophobicContact CD2-CG1 4.37Å; Y737-I743 HydrophobicContact CG-CG1 4.32Å; Y737-A746 HydrophobicContact CD2-CB 4.22Å; Y737-A746 HydrophobicContact CE2-CB 3.44Å; Y737-A746 VanDerWaalsContact CE2-CB 3.44Å
738	H	86.6	Confident	92	Very high	85 Å²	85	48.2 Å²	48.2	39%	0.394	25%	0.25	S	C	.	.			trans	-128.6	4.8	-175.3	-59.5	-40.7	0	0	0	113.5	S713 A714 N735	S713-H738 WeakPolarHBondContact CA-O 3.25Å; A714-H738 HydrophobicContact CB-CB 4.26Å; N735-H738 PolarHBondContact O-CE1 2.85Å
739	T	88.1	Confident	92	Very high	50 Å²	50	54.6 Å²	54.6	31%	0.307	28%	0.275	S	S	.	.	S	Bend	trans	-130.2	149.7	177.2	71.7	0	0	0	0	109.7	E741 D742 I743	T739-E741 VanDerWaalsContact C-N 3.26Å; T739-E741 PolarHBondContact O-N 2.96Å; T739-D742 PolarHBondContact O-N 3.12Å; T739-D742 WeakPolarHBondContact OG1-CB 3.42Å; T739-D742 PolarHBondContact OG1-N 3.3Å; T739-D742 PolarHBondContact OG1-OD2 3.36Å; T739-I743 WeakPolarHBondContact O-CD1 3.45Å; T739-I743 WeakPolarHBondContact O-CG1 3.44Å; T739-I743 PolarHBondContact O-N 2.86Å
740	A	87.4	Confident	92	Very high	15 Å²	15	50.8 Å²	50.8	12%	0.124	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-36	176.6	0	0	0	0	0	111.2	V707 V712 K744	V707-A740 HydrophobicContact CG1-CB 3.84Å; V712-A740 HydrophobicContact CB-CB 4.39Å; V712-A740 HydrophobicContact CG2-CB 4.35Å; A740-K744 WeakPolarHBondContact O-CB 3.43Å; A740-K744 WeakPolarHBondContact O-CE 3.03Å; A740-K744 VanDerWaalsContact O-CG 3.25Å; A740-K744 WeakPolarHBondContact O-CG 3.31Å; A740-K744 PolarHBondContact O-N 3.24Å
741	E	90.4	Very high	91.7	Very high	120 Å²	120	54.2 Å²	54.2	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-60.5	-47.2	178.5	-68.6	68.8	-149.6	0	0	112.3	T739 K744 A745	T739-E741 VanDerWaalsContact C-N 3.26Å; T739-E741 PolarHBondContact O-N 2.96Å; E741-K744 PolarHBondContact O-N 3.31Å; E741-A745 WeakPolarHBondContact O-CB 3.39Å; E741-A745 PolarHBondContact O-N 3.04Å
742	D	91.8	Very high	91.4	Very high	84 Å²	84	54.1 Å²	54.1	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-41	-178.3	-67.2	-36.1	0	0	0	111.7	Y737 T739 A745 A746	Y737-D742 HydrophobicContact CD1-CB 3.67Å; Y737-D742 HydrophobicContact CE1-CB 4.36Å; Y737-D742 HydrophobicContact CG-CB 4.14Å; T739-D742 PolarHBondContact O-N 3.12Å; T739-D742 WeakPolarHBondContact OG1-CB 3.42Å; T739-D742 PolarHBondContact OG1-N 3.3Å; T739-D742 PolarHBondContact OG1-OD2 3.36Å; D742-A745 PolarHBondContact O-N 2.75Å; D742-A746 WeakPolarHBondContact O-CB 3.38Å; D742-A746 PolarHBondContact O-N 3.46Å
743	I	92.8	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-48.5	176.2	-66.9	162.6	0	0	0	110	V707 V712 V719 F732 Y737 T739 A745 A746 V747	V707-I743 HydrophobicContact CG1-CB 4.19Å; V707-I743 HydrophobicContact CG1-CD1 4.48Å; V707-I743 HydrophobicContact CG1-CG2 4.06Å; V707-I743 HydrophobicContact CG2-CG2 3.76Å; V712-I743 HydrophobicContact CG1-CD1 3.58Å; V712-I743 HydrophobicContact CG2-CD1 4.24Å; V719-I743 HydrophobicContact CB-CD1 3.91Å; V719-I743 HydrophobicContact CG2-CD1 4.14Å; F732-I743 HydrophobicContact CE2-CG2 4.15Å; F732-I743 HydrophobicContact CZ-CG2 3.86Å; Y737-I743 HydrophobicContact CD2-CG1 4.37Å; Y737-I743 HydrophobicContact CG-CG1 4.32Å; T739-I743 WeakPolarHBondContact O-CD1 3.45Å; T739-I743 WeakPolarHBondContact O-CG1 3.44Å; T739-I743 PolarHBondContact O-N 2.86Å; I743-A745 VanDerWaalsContact C-N 3.29Å; I743-A745 PolarHBondContact O-N 2.93Å; I743-A746 WeakPolarHBondContact O-CB 3.26Å; I743-A746 PolarHBondContact O-N 3.3Å; I743-A746 VanDerWaalsContact O-N 3.08Å; I743-V747 HydrophobicContact CG2-CG2 4.09Å; I743-V747 WeakPolarHBondContact O-CG2 3.4Å; I743-V747 PolarHBondContact O-N 3.01Å
744	K	93.1	Very high	90.4	Very high	48 Å²	48	59.2 Å²	59.2	21%	0.209	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-41.4	179.7	-73	-178.2	-61.8	-171.4	0	112	N704 V707 D708 A740 E741 A746 M748	N704-K744 HydrophobicContact CB-CD 4.21Å; N704-K744 HydrophobicContact CB-CG 3.93Å; N704-K744 VanDerWaalsContact OD1-CA 3.31Å; N704-K744 WeakPolarHBondContact OD1-CA 3.39Å; V707-K744 HydrophobicContact CB-CG 4.41Å; V707-K744 HydrophobicContact CG1-CG 4.12Å; D708-K744 VanDerWaalsContact OD1-CD 3.29Å; D708-K744 WeakPolarHBondContact OD1-CD 3.31Å; D708-K744 WeakPolarHBondContact OD1-CE 3.42Å; D708-K744 IonicContact OD1-NZ 3.46Å; D708-K744 PolarHBondContact OD1-NZ 3.39Å; A740-K744 WeakPolarHBondContact O-CB 3.43Å; A740-K744 WeakPolarHBondContact O-CE 3.03Å; A740-K744 VanDerWaalsContact O-CG 3.25Å; A740-K744 WeakPolarHBondContact O-CG 3.31Å; A740-K744 PolarHBondContact O-N 3.24Å; E741-K744 PolarHBondContact O-N 3.31Å; K744-A746 VanDerWaalsContact C-N 3.33Å; K744-M748 WeakPolarHBondContact O-CG 3.48Å; K744-M748 PolarHBondContact O-N 3.33Å
745	A	92.4	Very high	89.9	Confident	49 Å²	49	64.5 Å²	64.5	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-36.7	176.4	0	0	0	0	0	112.2	E741 D742 I743 K749	E741-A745 WeakPolarHBondContact O-CB 3.39Å; E741-A745 PolarHBondContact O-N 3.04Å; D742-A745 PolarHBondContact O-N 2.75Å; I743-A745 VanDerWaalsContact C-N 3.29Å; I743-A745 PolarHBondContact O-N 2.93Å; A745-K749 WeakPolarHBondContact O-CG 3.46Å
746	A	93.2	Very high	89.7	Confident	12 Å²	12	61.8 Å²	61.8	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-69.2	-44.4	176	0	0	0	0	0	112.2	F732 Y737 D742 I743 K744 M748 K749	F732-A746 HydrophobicContact CD1-CB 3.92Å; F732-A746 HydrophobicContact CE1-CB 3.81Å; Y737-A746 HydrophobicContact CD2-CB 4.22Å; Y737-A746 HydrophobicContact CE2-CB 3.44Å; Y737-A746 VanDerWaalsContact CE2-CB 3.44Å; D742-A746 WeakPolarHBondContact O-CB 3.38Å; D742-A746 PolarHBondContact O-N 3.46Å; I743-A746 WeakPolarHBondContact O-CB 3.26Å; I743-A746 PolarHBondContact O-N 3.3Å; I743-A746 VanDerWaalsContact O-N 3.08Å; K744-A746 VanDerWaalsContact C-N 3.33Å; A746-M748 VanDerWaalsContact C-N 3.33Å; A746-M748 PolarHBondContact O-N 3.08Å; A746-K749 PolarHBondContact O-N 2.91Å; A746-K749 VanDerWaalsContact O-N 3.11Å
747	V	93.6	Very high	89.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-43.9	177.9	171.7	0	0	0	0	111.4	K700 V703 N704 L721 F732 I743 K749 V750	K700-V747 HydrophobicContact CB-CG1 4.05Å; K700-V747 HydrophobicContact CG-CG1 4.27Å; V703-V747 HydrophobicContact CB-CG1 4.03Å; V703-V747 HydrophobicContact CG1-CB 4.32Å; V703-V747 HydrophobicContact CG1-CG1 3.76Å; V703-V747 HydrophobicContact CG1-CG2 3.58Å; N704-V747 WeakPolarHBondContact OD1-CB 3.4Å; N704-V747 WeakPolarHBondContact OD1-CG1 3.3Å; L721-V747 HydrophobicContact CD2-CG2 4.04Å; F732-V747 HydrophobicContact CE1-CG2 4.13Å; F732-V747 HydrophobicContact CZ-CG2 3.97Å; I743-V747 HydrophobicContact CG2-CG2 4.09Å; I743-V747 WeakPolarHBondContact O-CG2 3.4Å; I743-V747 PolarHBondContact O-N 3.01Å; V747-K749 PolarHBondContact O-N 3.1Å; V747-V750 WeakPolarHBondContact O-CB 3.42Å; V747-V750 WeakPolarHBondContact O-CG2 3.22Å; V747-V750 PolarHBondContact O-N 3.07Å
748	M	90.7	Very high	89.2	Confident	78 Å²	78	56.7 Å²	56.7	38%	0.384	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-24.3	-179.6	-69	-55.2	-59.4	0	0	113.4	K700 N704 K744 A746 V750	K700-M748 HydrophobicContact CB-SD 4.08Å; N704-M748 WeakPolarHBondContact ND2-CG 3.39Å; N704-M748 PolarHBondContact ND2-SD 3.08Å; N704-M748 VanDerWaalsContact ND2-SD 3.43Å; K744-M748 WeakPolarHBondContact O-CG 3.48Å; K744-M748 PolarHBondContact O-N 3.33Å; A746-M748 VanDerWaalsContact C-N 3.33Å; A746-M748 PolarHBondContact O-N 3.08Å; M748-V750 VanDerWaalsContact C-N 3.35Å
749	K	92	Very high	89.4	Confident	165 Å²	165	52.7 Å²	52.7	72%	0.717	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.2	179	-69.1	173.6	-175.2	173.7	0	114	A745 A746 V747 D751	A745-K749 WeakPolarHBondContact O-CG 3.46Å; A746-K749 PolarHBondContact O-N 2.91Å; A746-K749 VanDerWaalsContact O-N 3.11Å; V747-K749 PolarHBondContact O-N 3.1Å; K749-D751 PolarHBondContact O-N 2.88Å
750	V	92.1	Very high	89.5	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.2	126.1	-177.3	175.5	0	0	0	0	111.3	I685 F696 K700 L721 E731 V747 M748	I685-V750 HydrophobicContact CD1-CG1 4.19Å; F696-V750 HydrophobicContact CZ-CG1 4.15Å; K700-V750 WeakPolarHBondContact CE-O 3.07Å; K700-V750 PolarHBondContact NZ-O 3.48Å; L721-V750 HydrophobicContact CD2-CG2 3.78Å; E731-V750 HydrophobicContact CB-CG2 4.12Å; E731-V750 HydrophobicContact CG-CG1 3.88Å; E731-V750 HydrophobicContact CG-CG2 3.78Å; V747-V750 WeakPolarHBondContact O-CB 3.42Å; V747-V750 WeakPolarHBondContact O-CG2 3.22Å; V747-V750 PolarHBondContact O-N 3.07Å; M748-V750 VanDerWaalsContact C-N 3.35Å
751	D	89.3	Confident	89.7	Confident	114 Å²	114	53.2 Å²	53.2	61%	0.61	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-81.3	141.3	179.2	-68.6	-42	0	0	0	112.8	Q723 R729 K749	Q723-D751 PolarHBondContact NE2-O 2.98Å; Q723-D751 PolarHBondContact OE1-O 3.43Å; R729-D751 PolarHBondContact NH2-O 2.8Å; K749-D751 PolarHBondContact O-N 2.88Å
752	Y	89.1	Confident	89.9	Confident	46 Å²	46	47.6 Å²	47.6	18%	0.18	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-75.8	138	177.9	-177	-131.5	0	0	0	112.3	G687 S688 K689 R692 P693 F696 E754	G687-Y752 VanDerWaalsContact O-CE2 3.3Å; G687-Y752 WeakPolarHBondContact O-CE2 3.42Å; S688-Y752 PolarHBondContact O-OH 2.85Å; K689-Y752 WeakPolarHBondContact CA-OH 3.17Å; K689-Y752 PolarHBondContact O-OH 3.21Å; R692-Y752 VanDerWaalsContact CA-OH 3.31Å; R692-Y752 WeakPolarHBondContact CA-OH 3.38Å; R692-Y752 PolarHBondContact N-OH 3.45Å; P693-Y752 HydrophobicContact CB-CD1 4.36Å; P693-Y752 HydrophobicContact CB-CE1 4.32Å; P693-Y752 HydrophobicContact CG-CD1 4.05Å; P693-Y752 HydrophobicContact CG-CE1 3.71Å; F696-Y752 HydrophobicContact CB-CD2 3.83Å; F696-Y752 HydrophobicContact CB-CE2 4.01Å; F696-Y752 HydrophobicContact CB-CG 4.45Å; F696-Y752 AromaticContact CD1-CD2 3.64Å; F696-Y752 HydrophobicContact CD1-CD2 3.64Å; F696-Y752 AromaticContact CD1-CG 3.97Å; F696-Y752 HydrophobicContact CD1-CG 3.97Å; F696-Y752 AromaticContact CD2-CD2 3.7Å; F696-Y752 HydrophobicContact CD2-CD2 3.7Å; F696-Y752 HydrophobicContact CD2-CE2 4.1Å; F696-Y752 HydrophobicContact CE1-CD2 4.08Å; F696-Y752 HydrophobicContact CE1-CG 4.43Å; F696-Y752 HydrophobicContact CE2-CD2 4.17Å; F696-Y752 AromaticContact CG-CD2 3.42Å; F696-Y752 HydrophobicContact CG-CD2 3.42Å; F696-Y752 VanDerWaalsContact CG-CD2 3.42Å; F696-Y752 AromaticContact CG-CE2 3.99Å; F696-Y752 HydrophobicContact CG-CE2 3.99Å; F696-Y752 HydrophobicContact CG-CG 4.15Å; F696-Y752 HydrophobicContact CZ-CD2 4.35Å; Y752-E754 HydrophobicContact CD1-CG 3.25Å; Y752-E754 WeakPolarHBondContact CD1-OE1 3.23Å; Y752-E754 HydrophobicContact CE1-CB 4.34Å; Y752-E754 HydrophobicContact CE1-CG 3.12Å; Y752-E754 HydrophobicContact CG-CG 4.13Å
753	M	85.8	Confident	90	Very high	22 Å²	22	43.6 Å²	43.6	11%	0.108	22%	0.22	C	C	.	.			trans	-96.6	-28	-168.7	-68.5	173.2	96.9	0	0	115.5	Q723 S725 R727 R729 K755	Q723-M753 HydrophobicContact CB-SD 4.3Å; Q723-M753 HydrophobicContact CG-CG 4.37Å; Q723-M753 HydrophobicContact CG-SD 3.67Å; S725-M753 WeakPolarHBondContact OG-CB 3.42Å; S725-M753 WeakPolarHBondContact OG-CE 3.47Å; S725-M753 PolarHBondContact OG-SD 2.92Å; R727-M753 HydrophobicContact CG-CE 3.39Å; R729-M753 HydrophobicContact CB-CE 4.44Å; M753-K755 VanDerWaalsContact C-N 3.31Å; M753-K755 WeakPolarHBondContact O-CG 3.32Å; M753-K755 PolarHBondContact O-N 3.45Å
754	E	83.5	Confident	90.1	Very high	118 Å²	118	46.7 Å²	46.7	55%	0.551	23%	0.234	S	C	*	.			trans	61	22.3	172.3	-65	-175.3	-173.6	0	0	117.2	G687 Y752	G687-E754 PolarHBondContact O-N 3.13Å; Y752-E754 HydrophobicContact CD1-CG 3.25Å; Y752-E754 WeakPolarHBondContact CD1-OE1 3.23Å; Y752-E754 HydrophobicContact CE1-CB 4.34Å; Y752-E754 HydrophobicContact CE1-CG 3.12Å; Y752-E754 HydrophobicContact CG-CG 4.13Å
755	K	82.3	Confident	90.2	Very high	112 Å²	112	46.3 Å²	46.3	49%	0.487	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-108.1	-161	-178.8	-64.1	-172	-178.2	-173	0	112.8	S688 K689 S726 M753	S688-K755 CarbonylContact C-O 3.6Å; S688-K755 VanDerWaalsContact CA-O 3.23Å; S688-K755 WeakPolarHBondContact CA-O 3.43Å; S688-K755 WeakPolarHBondContact CB-O 3.45Å; K689-K755 PolarHBondContact N-O 3.25Å; S726-K755 WeakPolarHBondContact OG-CB 3.03Å; M753-K755 VanDerWaalsContact C-N 3.31Å; M753-K755 WeakPolarHBondContact O-CG 3.32Å; M753-K755 PolarHBondContact O-N 3.45Å
756	G	84.5	Confident	90.3	Very high	14 Å²	14	44 Å²	44	14%	0.144	21%	0.213	C	C	.	.			trans	-68.9	-175.7	178.6	0	0	0	0	0	113.1	S688 S725 S726	S688-G756 WeakPolarHBondContact CB-O 3Å; S725-G756 CarbonylContact C-O 3.51Å; S725-G756 WeakPolarHBondContact CA-O 3.42Å; S725-G756 VanDerWaalsContact CB-O 3.28Å; S725-G756 WeakPolarHBondContact CB-O 3.18Å; S726-G756 PolarHBondContact N-O 2.95Å; S726-G756 VanDerWaalsContact N-O 3.12Å; S726-G756 WeakPolarHBondContact OG-CA 3.35Å; S726-G756 PolarHBondContact OG-N 3.47Å
757	T	85.9	Confident	90.3	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.025	22%	0.219	C	C	.	.			trans	-121.2	98.2	-175.5	-46.8	0	0	0	0	109.3	D686 S688 S690 Y724 Q797	D686-T757 WeakPolarHBondContact OD2-CG2 3.27Å; S688-T757 WeakPolarHBondContact CB-OG1 3.27Å; S688-T757 PolarHBondContact OG-OG1 3.37Å; S690-T757 PolarHBondContact OG-OG1 2.79Å; Y724-T757 HydrophobicContact CE2-CG2 4.18Å; T757-Q797 PolarHBondContact O-N 3.35Å
758	M	89.6	Confident	90.3	Very high	48 Å²	48	49.7 Å²	49.7	24%	0.236	24%	0.239	C	C	.	.			trans	-109.1	74.5	178.5	-60.7	-68.2	180	0	0	109.8	S725 L761 A762 Q797 D798	S725-M758 VanDerWaalsContact O-CB 3.27Å; S725-M758 WeakPolarHBondContact O-CB 3.04Å; S725-M758 WeakPolarHBondContact O-CG 2.97Å; S725-M758 PolarHBondContact O-N 3.28Å; M758-L761 HydrophobicContact CB-CB 3.98Å; M758-L761 HydrophobicContact CB-CD2 4.47Å; M758-A762 PolarHBondContact O-N 3.21Å; M758-Q797 HydrophobicContact CE-CB 3.88Å; M758-Q797 HydrophobicContact SD-CB 3.89Å; M758-D798 WeakPolarHBondContact CA-OD1 3.4Å; M758-D798 HydrophobicContact SD-CB 3.81Å
759	T	90.2	Very high	90.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-35.3	-177.3	-52	0	0	0	0	111.3	Y724 L761 A762 L763 V790 S796 D798 I800 I830	Y724-T759 HydrophobicContact CE2-CG2 4.35Å; Y724-T759 WeakPolarHBondContact CE2-OG1 3.09Å; Y724-T759 PolarHBondContact OH-OG1 3.11Å; T759-L761 PolarHBondContact O-N 3.31Å; T759-A762 WeakPolarHBondContact O-CB 3.37Å; T759-A762 PolarHBondContact O-N 3.18Å; T759-A762 VanDerWaalsContact O-N 3.12Å; T759-L763 WeakPolarHBondContact O-CG 3.39Å; T759-L763 PolarHBondContact O-N 2.77Å; T759-V790 HydrophobicContact CG2-CG1 4.25Å; T759-S796 VanDerWaalsContact CB-OG 3.24Å; T759-S796 WeakPolarHBondContact CB-OG 3.26Å; T759-S796 PolarHBondContact N-OG 3.25Å; T759-S796 PolarHBondContact OG1-OG 3.49Å; T759-D798 PolarHBondContact N-OD1 3.2Å; T759-I800 HydrophobicContact CG2-CG2 4.22Å; T759-I830 HydrophobicContact CG2-CD1 3.76Å
760	G	90.1	Very high	90.4	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-43.9	177.4	0	0	0	0	0	112	A762 L763 K764 D798 D799	G760-A762 VanDerWaalsContact C-N 3.28Å; G760-A762 PolarHBondContact O-N 3.47Å; G760-L763 PolarHBondContact O-N 2.91Å; G760-K764 PolarHBondContact O-N 3.14Å; G760-D798 WeakPolarHBondContact CA-OD2 2.82Å; G760-D798 PolarHBondContact N-OD1 3.49Å; G760-D798 PolarHBondContact N-OD2 3.03Å; G760-D799 WeakPolarHBondContact CA-O 3.43Å
761	L	91.8	Very high	90.5	Very high	74 Å²	74	44.9 Å²	44.9	39%	0.387	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-35.5	173.8	-173.7	64.2	0	0	0	112.3	V728 M758 T759 K764 H765 D798	V728-L761 HydrophobicContact CG2-CB 4.24Å; V728-L761 HydrophobicContact CG2-CD2 3.98Å; V728-L761 HydrophobicContact CG2-CG 3.73Å; M758-L761 HydrophobicContact CB-CB 3.98Å; M758-L761 HydrophobicContact CB-CD2 4.47Å; T759-L761 PolarHBondContact O-N 3.31Å; L761-K764 PolarHBondContact O-N 2.89Å; L761-H765 WeakPolarHBondContact O-CB 3.39Å; L761-H765 PolarHBondContact O-N 3.1Å; L761-D798 PolarHBondContact N-OD2 3.11Å
762	A	93.5	Very high	90.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-43.5	177.6	0	0	0	0	0	111.7	L684 Y724 V728 M758 T759 G760 H765 M766	L684-A762 HydrophobicContact CD2-CB 3.84Å; Y724-A762 HydrophobicContact CD1-CB 3.56Å; Y724-A762 HydrophobicContact CD2-CB 3.82Å; Y724-A762 HydrophobicContact CE1-CB 4.12Å; Y724-A762 HydrophobicContact CE2-CB 4.35Å; Y724-A762 HydrophobicContact CG-CB 3.38Å; V728-A762 HydrophobicContact CG2-CB 4.18Å; M758-A762 PolarHBondContact O-N 3.21Å; T759-A762 WeakPolarHBondContact O-CB 3.37Å; T759-A762 PolarHBondContact O-N 3.18Å; T759-A762 VanDerWaalsContact O-N 3.12Å; G760-A762 VanDerWaalsContact C-N 3.28Å; G760-A762 PolarHBondContact O-N 3.47Å; A762-H765 PolarHBondContact O-N 1.99Å; A762-M766 PolarHBondContact O-N 3.36Å
763	L	94.8	Very high	90.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-42.4	173.7	-67	171.9	0	0	0	111.8	L684 T759 G760 H765 M766 L767 V790 I800 A804 M814 I830	L684-L763 HydrophobicContact CD1-CD2 4.17Å; T759-L763 WeakPolarHBondContact O-CG 3.39Å; T759-L763 PolarHBondContact O-N 2.77Å; G760-L763 PolarHBondContact O-N 2.91Å; L763-H765 PolarHBondContact O-N 3.04Å; L763-M766 HydrophobicContact CD2-CE 4.22Å; L763-M766 PolarHBondContact O-N 3.02Å; L763-L767 WeakPolarHBondContact O-CB 3.19Å; L763-L767 PolarHBondContact O-N 3.37Å; L763-V790 HydrophobicContact CD2-CG2 4.04Å; L763-I800 HydrophobicContact CD1-CB 4.46Å; L763-A804 HydrophobicContact CD1-CB 4.1Å; L763-M814 HydrophobicContact CD2-CE 3.68Å; L763-I830 HydrophobicContact CD1-CD1 4.47Å; L763-I830 HydrophobicContact CD1-CG1 4.11Å; L763-I830 HydrophobicContact CD2-CG2 4.35Å
764	K	94.8	Very high	90.6	Very high	65 Å²	65	47.8 Å²	47.8	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-56.8	-49.8	173	178.7	176.8	-169.3	162.1	0	111.7	G760 L761 M766 L767 E768 Y803	G760-K764 PolarHBondContact O-N 3.14Å; L761-K764 PolarHBondContact O-N 2.89Å; K764-M766 VanDerWaalsContact C-N 3.31Å; K764-M766 PolarHBondContact O-N 3.25Å; K764-L767 PolarHBondContact O-N 3.41Å; K764-E768 VanDerWaalsContact CE-CD 3.42Å; K764-E768 WeakPolarHBondContact CE-OE1 3.47Å; K764-E768 WeakPolarHBondContact CE-OE2 3.36Å; K764-E768 HydrophobicContact CG-CG 4.42Å; K764-E768 WeakPolarHBondContact O-CB 3.07Å; K764-E768 PolarHBondContact O-N 2.97Å; K764-Y803 HydrophobicContact CB-CD1 3.57Å; K764-Y803 HydrophobicContact CB-CD2 4.09Å; K764-Y803 HydrophobicContact CB-CE1 3.6Å; K764-Y803 HydrophobicContact CB-CE2 4.15Å; K764-Y803 HydrophobicContact CB-CG 3.82Å; K764-Y803 HydrophobicContact CD-CE1 3.72Å; K764-Y803 HydrophobicContact CD-CE2 4.17Å; K764-Y803 WeakPolarHBondContact CD-OH 3.02Å; K764-Y803 WeakPolarHBondContact CE-OH 3.31Å; K764-Y803 HydrophobicContact CG-CD1 3.88Å; K764-Y803 HydrophobicContact CG-CE1 3.41Å; K764-Y803 VanDerWaalsContact CG-CE1 3.41Å; K764-Y803 HydrophobicContact CG-CE2 4.44Å; K764-Y803 PolarHBondContact NZ-OH 2.72Å
765	H	95.3	Very high	90.9	Very high	41 Å²	41	45 Å²	45	19%	0.19	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-41	-179.4	-174	-72.5	0	0	0	111.8	V728 T730 L761 A762 L763 Y769 S770	V728-H765 HydrophobicContact CB-CB 4.28Å; V728-H765 HydrophobicContact CG1-CB 3.72Å; V728-H765 HydrophobicContact CG2-CB 4.45Å; T730-H765 PolarHBondContact OG1-CE1 2.9Å; L761-H765 WeakPolarHBondContact O-CB 3.39Å; L761-H765 PolarHBondContact O-N 3.1Å; A762-H765 PolarHBondContact O-N 1.99Å; L763-H765 PolarHBondContact O-N 3.04Å; H765-Y769 WeakPolarHBondContact O-CA 3.14Å; H765-Y769 WeakPolarHBondContact O-CB 3.31Å; H765-Y769 PolarHBondContact O-N 3.49Å; H765-S770 PolarHBondContact ND1-OG 2.93Å; H765-S770 PolarHBondContact O-N 3.36Å; H765-S770 VanDerWaalsContact O-N 3.14Å
766	M	95.4	Very high	91.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-61	-47.4	177	179.4	-170	68	0	0	111.7	V682 L684 A762 L763 K764 S770 F771 A807 M814	V682-M766 HydrophobicContact CB-CG 4.23Å; V682-M766 HydrophobicContact CB-SD 4.46Å; V682-M766 HydrophobicContact CG1-CG 3.94Å; V682-M766 HydrophobicContact CG1-SD 4.44Å; L684-M766 HydrophobicContact CD1-CB 3.91Å; L684-M766 HydrophobicContact CD1-CE 4.17Å; L684-M766 HydrophobicContact CD1-CG 4.12Å; L684-M766 HydrophobicContact CD1-SD 3.36Å; L684-M766 WeakPolarHBondContact CD1-SD 3.37Å; L684-M766 HydrophobicContact CD2-CB 4.34Å; L684-M766 HydrophobicContact CG-CB 4.44Å; L684-M766 HydrophobicContact CG-SD 4.26Å; A762-M766 PolarHBondContact O-N 3.36Å; L763-M766 HydrophobicContact CD2-CE 4.22Å; L763-M766 PolarHBondContact O-N 3.02Å; K764-M766 VanDerWaalsContact C-N 3.31Å; K764-M766 PolarHBondContact O-N 3.25Å; M766-S770 PolarHBondContact O-N 2.94Å; M766-F771 HydrophobicContact CE-CE2 4.36Å; M766-F771 HydrophobicContact CG-CD2 3.69Å; M766-F771 HydrophobicContact CG-CE2 3.57Å; M766-F771 PolarHBondContact O-N 2.85Å; M766-F771 HydrophobicContact SD-CD2 4.4Å; M766-F771 HydrophobicContact SD-CE2 3.74Å; M766-A807 HydrophobicContact CE-CB 4.31Å; M766-M814 HydrophobicContact CE-CE 3.5Å; M766-M814 HydrophobicContact CE-SD 3.5Å; M766-M814 VanDerWaalsContact CE-SD 3.5Å; M766-M814 HydrophobicContact SD-CE 4.26Å
767	L	93.1	Very high	91.2	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.209	20%	0.203	C	C	.	.	I	π-helix	trans	-66.8	-47.5	-178.6	179.7	62.9	0	0	0	112.7	L763 K764 K806 A810 I812	L763-L767 WeakPolarHBondContact O-CB 3.19Å; L763-L767 PolarHBondContact O-N 3.37Å; K764-L767 PolarHBondContact O-N 3.41Å; L767-K806 HydrophobicContact CD2-CB 3.7Å; L767-A810 HydrophobicContact CD1-CB 3.76Å; L767-I812 HydrophobicContact CD1-CD1 3.73Å
768	E	92.1	Very high	91.3	Very high	94 Å²	94	39.8 Å²	39.8	44%	0.439	20%	0.204	S	C	.	.	I	π-helix	trans	-83.8	-29.9	-172.3	-68.5	-179.9	176.6	0	0	113.4	K764	K764-E768 VanDerWaalsContact CE-CD 3.42Å; K764-E768 WeakPolarHBondContact CE-OE1 3.47Å; K764-E768 WeakPolarHBondContact CE-OE2 3.36Å; K764-E768 HydrophobicContact CG-CG 4.42Å; K764-E768 WeakPolarHBondContact O-CB 3.07Å; K764-E768 PolarHBondContact O-N 2.97Å
769	Y	92.9	Very high	90.8	Very high	132 Å²	132	39.3 Å²	39.3	52%	0.518	20%	0.204	S	C	.	.	I	π-helix	trans	-119.7	-55.9	-173.1	-60.8	-89.1	0	0	0	112.5	H765 F771 S772 E775	H765-Y769 WeakPolarHBondContact O-CA 3.14Å; H765-Y769 WeakPolarHBondContact O-CB 3.31Å; H765-Y769 PolarHBondContact O-N 3.49Å; Y769-F771 VanDerWaalsContact C-N 3.32Å; Y769-F771 PolarHBondContact O-N 2.89Å; Y769-S772 WeakPolarHBondContact O-CB 3.01Å; Y769-S772 PolarHBondContact O-N 2.05Å; Y769-S772 PolarHBondContact O-OG 3.35Å; Y769-E775 WeakPolarHBondContact O-CB 3.18Å; Y769-E775 WeakPolarHBondContact O-CG 3.38Å
770	S	93.4	Very high	89.7	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.042	23%	0.234	C	C	.	.	I	π-helix	trans	-66	-31.4	-170.6	-51.9	0	0	0	0	114	V722 L734 H765 M766 S772	V722-S770 WeakPolarHBondContact CG2-OG 3.46Å; L734-S770 WeakPolarHBondContact CD1-O 3.22Å; H765-S770 PolarHBondContact ND1-OG 2.93Å; H765-S770 PolarHBondContact O-N 3.36Å; H765-S770 VanDerWaalsContact O-N 3.14Å; M766-S770 PolarHBondContact O-N 2.94Å; S770-S772 VanDerWaalsContact C-N 3.35Å
771	F	93.3	Very high	88.6	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.035	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	17.1	171.8	-76.3	-62.8	0	0	0	114.2	D680 V682 L734 M766 Y769 A777 R786 I787 I812	D680-F771 HydrophobicContact CB-CE1 4.25Å; V682-F771 HydrophobicContact CB-CE1 4.38Å; V682-F771 HydrophobicContact CB-CE2 4.03Å; V682-F771 HydrophobicContact CB-CZ 3.8Å; V682-F771 HydrophobicContact CG2-CD1 4.11Å; V682-F771 HydrophobicContact CG2-CD2 4.37Å; V682-F771 HydrophobicContact CG2-CE1 3.65Å; V682-F771 HydrophobicContact CG2-CE2 3.95Å; V682-F771 HydrophobicContact CG2-CG 4.44Å; V682-F771 HydrophobicContact CG2-CZ 3.56Å; L734-F771 HydrophobicContact CD1-CD1 4.27Å; M766-F771 HydrophobicContact CE-CE2 4.36Å; M766-F771 HydrophobicContact CG-CD2 3.69Å; M766-F771 HydrophobicContact CG-CE2 3.57Å; M766-F771 PolarHBondContact O-N 2.85Å; M766-F771 HydrophobicContact SD-CD2 4.4Å; M766-F771 HydrophobicContact SD-CE2 3.74Å; Y769-F771 VanDerWaalsContact C-N 3.32Å; Y769-F771 PolarHBondContact O-N 2.89Å; F771-A777 HydrophobicContact CD1-CB 4.42Å; F771-A777 WeakPolarHBondContact O-CB 3.43Å; F771-R786 HydrophobicContact CD1-CB 4.15Å; F771-R786 HydrophobicContact CD1-CG 4.06Å; F771-R786 HydrophobicContact CE1-CB 3.78Å; F771-R786 HydrophobicContact CE1-CG 4.07Å; F771-R786 HydrophobicContact CZ-CB 4.11Å; F771-I787 WeakPolarHBondContact CZ-O 3.41Å; F771-I812 HydrophobicContact CD2-CD1 3.64Å; F771-I812 HydrophobicContact CD2-CG1 4.4Å; F771-I812 HydrophobicContact CE2-CD1 3.97Å; F771-I812 HydrophobicContact CE2-CG1 4.44Å; F771-I812 HydrophobicContact CE2-CG2 3.82Å; F771-I812 HydrophobicContact CG-CD1 4.4Å; F771-I812 HydrophobicContact CZ-CG2 4.21Å
772	S	91	Very high	87.4	Confident	34 Å²	34	52.7 Å²	52.7	24%	0.238	28%	0.283	C	S	.	.	S	Bend	trans	-78.5	152.8	172	75.5	0	0	0	0	111.4	Y769 S770 A774 E775 G776 A777	Y769-S772 WeakPolarHBondContact O-CB 3.01Å; Y769-S772 PolarHBondContact O-N 2.05Å; Y769-S772 PolarHBondContact O-OG 3.35Å; S770-S772 VanDerWaalsContact C-N 3.35Å; S772-A774 PolarHBondContact O-N 2.94Å; S772-E775 PolarHBondContact O-N 2.02Å; S772-E775 VanDerWaalsContact O-N 3.17Å; S772-E775 PolarHBondContact OG-N 3.47Å; S772-G776 PolarHBondContact O-N 2.88Å; S772-A777 VanDerWaalsContact O-CB 3.32Å; S772-A777 WeakPolarHBondContact O-CB 3.5Å; S772-A777 PolarHBondContact O-N 3Å; S772-A777 VanDerWaalsContact O-N 3.13Å
773	E	87.9	Confident	86.2	Confident	128 Å²	128	59.7 Å²	59.7	60%	0.598	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.7	175.3	-64	-173.6	-169.8	0	0	112.1	E775 G776 A777 P779	E773-E775 VanDerWaalsContact C-N 3.33Å; E773-E775 PolarHBondContact O-N 3.3Å; E773-G776 PolarHBondContact O-N 3.15Å; E773-G776 VanDerWaalsContact O-N 3.12Å; E773-A777 WeakPolarHBondContact CA-O 3.33Å; E773-P779 WeakPolarHBondContact OE1-CA 3.44Å; E773-P779 WeakPolarHBondContact OE1-CB 3.48Å
774	A	87.8	Confident	85.4	Confident	80 Å²	80	61.5 Å²	61.5	66%	0.661	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.8	175.6	0	0	0	0	0	112.3	N735 S772 G776	N735-A774 PolarHBondContact ND2-O 2.96Å; S772-A774 PolarHBondContact O-N 2.94Å; A774-G776 PolarHBondContact O-N 3.2Å
775	E	89.9	Confident	84.9	Confident	60 Å²	60	60.7 Å²	60.7	28%	0.28	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	9.4	176.3	-62.4	-68.6	116.6	0	0	112.5	P733 L734 Y769 S772 E773	P733-E775 HydrophobicContact CB-CB 4.11Å; P733-E775 WeakPolarHBondContact CB-O 2.97Å; P733-E775 WeakPolarHBondContact CB-OE2 3.25Å; L734-E775 WeakPolarHBondContact CB-O 3.38Å; L734-E775 PolarHBondContact N-O 2.87Å; Y769-E775 WeakPolarHBondContact O-CB 3.18Å; Y769-E775 WeakPolarHBondContact O-CG 3.38Å; S772-E775 PolarHBondContact O-N 2.02Å; S772-E775 VanDerWaalsContact O-N 3.17Å; S772-E775 PolarHBondContact OG-N 3.47Å; E773-E775 VanDerWaalsContact C-N 3.33Å; E773-E775 PolarHBondContact O-N 3.3Å
776	G	86.1	Confident	84.6	Confident	4 Å²	4	61.1 Å²	61.1	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	3.9	170.5	0	0	0	0	0	116.4	R718 S772 E773 A774	R718-G776 PolarHBondContact NH1-O 2.78Å; S772-G776 PolarHBondContact O-N 2.88Å; E773-G776 PolarHBondContact O-N 3.15Å; E773-G776 VanDerWaalsContact O-N 3.12Å; A774-G776 PolarHBondContact O-N 3.2Å
777	A	87.3	Confident	84.4	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.033	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-65.6	141.9	172.9	0	0	0	0	0	110.7	L734 F771 S772 E773	L734-A777 HydrophobicContact CD1-CB 3.78Å; F771-A777 HydrophobicContact CD1-CB 4.42Å; F771-A777 WeakPolarHBondContact O-CB 3.43Å; S772-A777 VanDerWaalsContact O-CB 3.32Å; S772-A777 WeakPolarHBondContact O-CB 3.5Å; S772-A777 PolarHBondContact O-N 3Å; S772-A777 VanDerWaalsContact O-N 3.13Å; E773-A777 WeakPolarHBondContact CA-O 3.33Å
778	R	86.4	Confident	84.4	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.049	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-75.9	147.7	-180	-72	173.2	-79.7	-164.9	-7.7	110.8	I679 D680 G716 I784 R786	I679-R778 PolarHBondContact O-NH2 2.94Å; D680-R778 IonicContact OD1-CZ 2.92Å; D680-R778 IonicContact OD1-NE 3.9Å; D680-R778 PolarHBondContact OD1-NE 2.83Å; D680-R778 IonicContact OD1-NH2 3.67Å; D680-R778 PolarHBondContact OD1-NH2 3.27Å; D680-R778 PolarHBondContact OD2-N 3.4Å; D680-R778 IonicContact OD2-NE 3.38Å; G716-R778 PolarHBondContact O-NH1 2.98Å; G716-R778 PolarHBondContact O-NH2 2.04Å; R778-I784 HydrophobicContact CB-CG1 4.28Å; R778-R786 PolarHBondContact O-NH2 3.42Å
779	P	79.2	Confident	84.4	Confident	38 Å²	38	55.2 Å²	55.2	25%	0.247	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-56.1	141.3	178.2	-24.8	33	0	0	0	111.5	E773 S781 R782	E773-P779 WeakPolarHBondContact OE1-CA 3.44Å; E773-P779 WeakPolarHBondContact OE1-CB 3.48Å; P779-S781 PolarHBondContact O-N 3.45Å; P779-S781 VanDerWaalsContact O-N 3.07Å; P779-R782 PolarHBondContact O-N 3.39Å
780	A	68.6	Low	84.4	Confident	77 Å²	77	49 Å²	49	64%	0.636	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58	-25.5	-179.9	0	0	0	0	0	112.8	R782 N783	A780-R782 PolarHBondContact O-N 2.6Å; A780-N783 PolarHBondContact O-N 3.06Å; A780-N783 VanDerWaalsContact O-N 3.1Å
781	S	66.2	Low	84.2	Confident	113 Å²	113	48.8 Å²	48.8	79%	0.79	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-62.6	-19.1	175.5	58.7	0	0	0	0	114.6	P779 N783	P779-S781 PolarHBondContact O-N 3.45Å; P779-S781 VanDerWaalsContact O-N 3.07Å; S781-N783 VanDerWaalsContact C-N 3.31Å
782	R	65.9	Low	83.9	Confident	169 Å²	169	48.7 Å²	48.7	64%	0.638	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-85.1	-2.6	176.3	-67	-168.1	174.1	-174.2	-0.6	113.8	P779 A780 I784	P779-R782 PolarHBondContact O-N 3.39Å; A780-R782 PolarHBondContact O-N 2.6Å; R782-I784 HydrophobicContact CB-CG1 3.96Å; R782-I784 PolarHBondContact O-N 3.19Å
783	N	68.2	Low	83.1	Confident	148 Å²	148	47.6 Å²	47.6	79%	0.791	27%	0.268	S	S	*	.			trans	50.1	41.8	179.2	-158.6	36.5	0	0	0	113.8	A780 S781	A780-N783 PolarHBondContact O-N 3.06Å; A780-N783 VanDerWaalsContact O-N 3.1Å; S781-N783 VanDerWaalsContact C-N 3.31Å
784	I	79.1	Confident	82.2	Confident	38 Å²	38	42 Å²	42	20%	0.195	24%	0.244	C	C	.	.			trans	-86.3	129	177.7	-60.6	-60.1	0	0	0	109.1	N678 R778 R782 R786	N678-I784 HydrophobicContact CB-CD1 4.3Å; R778-I784 HydrophobicContact CB-CG1 4.28Å; R782-I784 HydrophobicContact CB-CG1 3.96Å; R782-I784 PolarHBondContact O-N 3.19Å; I784-R786 PolarHBondContact O-N 2.12Å
785	P	83.6	Confident	81.8	Confident	48 Å²	48	47 Å²	47	31%	0.312	25%	0.245	S	C	.	.			trans	-59.2	131.9	174.9	-22.8	32.9	0	0	0	112.1	I679 D680 V859	I679-P785 HydrophobicContact CG2-CB 4.02Å; I679-P785 HydrophobicContact CG2-CG 4.18Å; D680-P785 PolarHBondContact N-O 3.49Å; P785-V859 HydrophobicContact CG-CG2 4.1Å
786	R	89.4	Confident	81.6	Confident	50 Å²	50	44.6 Å²	44.6	19%	0.189	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.6	175.1	-66.3	178	-177.3	-179.9	-3.3	109	D680 F771 R778 I784 I812 T813	D680-R786 HydrophobicContact CB-CG 4.46Å; D680-R786 WeakPolarHBondContact O-CA 3.22Å; F771-R786 HydrophobicContact CD1-CB 4.15Å; F771-R786 HydrophobicContact CD1-CG 4.06Å; F771-R786 HydrophobicContact CE1-CB 3.78Å; F771-R786 HydrophobicContact CE1-CG 4.07Å; F771-R786 HydrophobicContact CZ-CB 4.11Å; R778-R786 PolarHBondContact O-NH2 3.42Å; I784-R786 PolarHBondContact O-N 2.12Å; R786-I812 HydrophobicContact CB-CG1 4.18Å; R786-I812 HydrophobicContact CB-CG2 4.42Å; R786-I812 WeakPolarHBondContact O-CA 3.45Å; R786-T813 PolarHBondContact O-N 3.38Å
787	I	91.6	Very high	81.5	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.7	-174.2	-55.4	-173.9	0	0	0	110.2	I679 D680 L681 V682 F771 T813 Y815 L855	I679-I787 HydrophobicContact CD1-CD1 3.88Å; D680-I787 PolarHBondContact O-N 3.26Å; L681-I787 WeakPolarHBondContact CA-O 3.27Å; L681-I787 HydrophobicContact CD1-CB 3.88Å; L681-I787 HydrophobicContact CD1-CG2 3.74Å; V682-I787 PolarHBondContact N-O 2.91Å; F771-I787 WeakPolarHBondContact CZ-O 3.41Å; I787-T813 WeakPolarHBondContact CA-O 3.21Å; I787-Y815 HydrophobicContact CG2-CD2 3.61Å; I787-Y815 HydrophobicContact CG2-CE2 3.79Å; I787-L855 HydrophobicContact CD1-CD2 3.62Å; I787-L855 HydrophobicContact CG2-CD2 4Å
788	G	92.6	Very high	81.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.2	172.2	0	0	0	0	0	110.6	V682 T813 M814 Y815	V682-G788 WeakPolarHBondContact O-CA 3.45Å; G788-T813 PolarHBondContact N-O 2.99Å; G788-M814 CarbonylContact O-C 3.49Å; G788-M814 WeakPolarHBondContact O-CA 3.33Å; G788-Y815 PolarHBondContact O-N 3.28Å
789	L	92.6	Very high	81.5	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.4	178.6	177.7	61.9	0	0	0	110	L681 V682 L683 L684 F791 Y815 V817	L681-L789 HydrophobicContact CD1-CB 4.24Å; V682-L789 PolarHBondContact O-N 3.43Å; L683-L789 HydrophobicContact CD2-CB 3.78Å; L683-L789 HydrophobicContact CD2-CD2 3.47Å; L683-L789 VanDerWaalsContact CD2-CD2 3.47Å; L683-L789 HydrophobicContact CD2-CG 4.02Å; L684-L789 PolarHBondContact N-O 3.04Å; L789-F791 HydrophobicContact CD2-CE2 3.92Å; L789-F791 HydrophobicContact CD2-CZ 3.81Å; L789-F791 HydrophobicContact CG-CE2 3.77Å; L789-F791 HydrophobicContact CG-CZ 3.96Å; L789-Y815 VanDerWaalsContact CD1-CB 3.4Å; L789-Y815 HydrophobicContact CD1-CG 4.35Å; L789-V817 HydrophobicContact CD1-CG2 3.67Å
790	V	91.8	Very high	82	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.9	-171.7	-170	0	0	0	0	111	L684 T759 L763 M814 Y815 V817 I830	L684-V790 HydrophobicContact CB-CB 4.41Å; L684-V790 HydrophobicContact CB-CG1 4.27Å; L684-V790 HydrophobicContact CB-CG2 4.25Å; L684-V790 HydrophobicContact CD1-CG2 3.76Å; T759-V790 HydrophobicContact CG2-CG1 4.25Å; L763-V790 HydrophobicContact CD2-CG2 4.04Å; V790-M814 HydrophobicContact CG2-CE 3.7Å; V790-Y815 PolarHBondContact N-O 2.94Å; V790-V817 PolarHBondContact O-N 2.98Å; V790-I830 HydrophobicContact CB-CG2 4.31Å; V790-I830 HydrophobicContact CG2-CG2 3.85Å
791	F	89.3	Confident	82.9	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.1	172.5	-62.2	-91.2	0	0	0	110.3	L684 I685 D686 V699 F702 V703 Y724 L789 V817	L684-F791 PolarHBondContact O-N 3.35Å; I685-F791 HydrophobicContact CG2-CD2 3.78Å; I685-F791 HydrophobicContact CG2-CE2 4.36Å; I685-F791 HydrophobicContact CG2-CG 4.46Å; D686-F791 WeakPolarHBondContact CB-O 2.99Å; D686-F791 PolarHBondContact N-O 2.96Å; V699-F791 HydrophobicContact CG1-CB 4.26Å; V699-F791 HydrophobicContact CG1-CD1 4.26Å; V699-F791 HydrophobicContact CG1-CD2 4.41Å; V699-F791 HydrophobicContact CG1-CG 4.06Å; F702-F791 AromaticContact CD1-CE1 3.3Å; F702-F791 HydrophobicContact CD1-CE1 3.3Å; F702-F791 AromaticContact CD1-CZ 3.25Å; F702-F791 HydrophobicContact CD1-CZ 3.25Å; F702-F791 HydrophobicContact CD2-CE1 4.28Å; F702-F791 AromaticContact CE1-CE1 3.33Å; F702-F791 HydrophobicContact CE1-CE1 3.33Å; F702-F791 AromaticContact CE1-CZ 3.25Å; F702-F791 HydrophobicContact CE1-CZ 3.25Å; F702-F791 HydrophobicContact CE2-CE1 4.25Å; F702-F791 AromaticContact CG-CE1 3.84Å; F702-F791 HydrophobicContact CG-CE1 3.84Å; F702-F791 HydrophobicContact CG-CZ 4.21Å; F702-F791 AromaticContact CZ-CE1 3.82Å; F702-F791 HydrophobicContact CZ-CE1 3.82Å; F702-F791 HydrophobicContact CZ-CZ 4.16Å; V703-F791 HydrophobicContact CG2-CE2 4.1Å; V703-F791 HydrophobicContact CG2-CZ 4.36Å; Y724-F791 PolarHBondContact OH-O 3.05Å; Y724-F791 VanDerWaalsContact OH-O 3.13Å; L789-F791 HydrophobicContact CD2-CE2 3.92Å; L789-F791 HydrophobicContact CD2-CZ 3.81Å; L789-F791 HydrophobicContact CG-CE2 3.77Å; L789-F791 HydrophobicContact CG-CZ 3.96Å; F791-V817 WeakPolarHBondContact CA-O 3.22Å; F791-V817 HydrophobicContact CD1-CB 3.76Å; F791-V817 HydrophobicContact CD1-CG1 3.85Å; F791-V817 HydrophobicContact CD1-CG2 4.41Å; F791-V817 HydrophobicContact CE1-CB 3.93Å; F791-V817 HydrophobicContact CE1-CG1 3.92Å; F791-V817 HydrophobicContact CE1-CG2 4.11Å; F791-V817 HydrophobicContact CG-CB 4.5Å
792	T	86.9	Confident	84	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.9	175.3	-179	0	0	0	0	112.1	Y724 G794 V817 G818 V819 A822 L827	Y724-T792 WeakPolarHBondContact OH-CB 3.17Å; T792-G794 PolarHBondContact OG1-N 2.91Å; T792-G794 PolarHBondContact OG1-O 3.14Å; T792-G794 VanDerWaalsContact OG1-O 3.07Å; T792-V817 PolarHBondContact N-O 3.16Å; T792-G818 WeakPolarHBondContact O-CA 3.26Å; T792-V819 PolarHBondContact O-N 2.92Å; T792-A822 WeakPolarHBondContact O-CB 3.24Å; T792-L827 HydrophobicContact CG2-CD2 3.31Å; T792-L827 HydrophobicContact CG2-CG 4.15Å
793	D	75.1	Confident	85.2	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.064	23%	0.228	C	C	.	.	S	Bend	trans	-116.9	3.6	175.7	-167.2	-12.7	0	0	0	112.1	V691 N695 V819 G820 K821 A822	V691-D793 WeakPolarHBondContact CA-OD2 3.44Å; V691-D793 HydrophobicContact CB-CB 4.31Å; V691-D793 HydrophobicContact CG2-CB 3.69Å; N695-D793 PolarHBondContact ND2-OD2 2.86Å; N695-D793 VanDerWaalsContact ND2-OD2 3.16Å; D793-V819 WeakPolarHBondContact CA-O 3.19Å; D793-V819 HydrophobicContact CB-CB 4.43Å; D793-V819 WeakPolarHBondContact CB-O 3.46Å; D793-G820 VanDerWaalsContact OD1-CA 3.3Å; D793-G820 WeakPolarHBondContact OD1-CA 3.44Å; D793-K821 CarbonylContact O-C 3.46Å; D793-K821 PolarHBondContact OD1-N 3.04Å; D793-A822 PolarHBondContact O-N 3.02Å
794	G	68.1	Low	86.4	Confident	9 Å²	9	39.1 Å²	39.1	9%	0.093	19%	0.191	C	C	.	.	S	Bend	trans	-148.4	158.5	-171.4	0	0	0	0	0	113.9	T792 S796	T792-G794 PolarHBondContact OG1-N 2.91Å; T792-G794 PolarHBondContact OG1-O 3.14Å; T792-G794 VanDerWaalsContact OG1-O 3.07Å; G794-S796 PolarHBondContact O-N 3.02Å
795	R	79.9	Confident	86.9	Confident	185 Å²	185	43.4 Å²	43.4	70%	0.698	21%	0.208	S	C	*	.			trans	-60	128.4	171.1	-164.8	-174.4	178.5	168.1	-1	109.9	V823 E826	R795-V823 HydrophobicContact CB-CG2 3.81Å; R795-V823 HydrophobicContact CG-CG2 4.08Å; R795-E826 WeakPolarHBondContact CA-OE2 3.3Å; R795-E826 WeakPolarHBondContact CG-OE1 3.2Å; R795-E826 IonicContact NE-OE1 3.23Å
796	S	84.9	Confident	87.3	Confident	11 Å²	11	45.1 Å²	45.1	8%	0.077	21%	0.211	C	C	.	.			trans	-62.3	145.6	174.7	-148	0	0	0	0	111.2	T759 G794 D798 E826	T759-S796 VanDerWaalsContact CB-OG 3.24Å; T759-S796 WeakPolarHBondContact CB-OG 3.26Å; T759-S796 PolarHBondContact N-OG 3.25Å; T759-S796 PolarHBondContact OG1-OG 3.49Å; G794-S796 PolarHBondContact O-N 3.02Å; S796-D798 PolarHBondContact OG-OD1 2.96Å; S796-E826 PolarHBondContact N-OE2 2.74Å
797	Q	84.6	Confident	87.4	Confident	127 Å²	127	42.8 Å²	42.8	59%	0.593	20%	0.202	S	C	*	.	S	Bend	trans	-95.4	-4.3	177.7	-63.1	179.2	1.6	0	0	112.6	T757 M758	T757-Q797 PolarHBondContact O-N 3.35Å; M758-Q797 HydrophobicContact CE-CB 3.88Å; M758-Q797 HydrophobicContact SD-CB 3.89Å
798	D	87.4	Confident	87.3	Confident	47 Å²	47	45.8 Å²	45.8	25%	0.251	22%	0.215	S	C	.	.	S	Bend	trans	-126.7	169.1	176.4	61.7	-10.4	0	0	0	111.1	M758 T759 G760 L761 S796	M758-D798 WeakPolarHBondContact CA-OD1 3.4Å; M758-D798 HydrophobicContact SD-CB 3.81Å; T759-D798 PolarHBondContact N-OD1 3.2Å; G760-D798 WeakPolarHBondContact CA-OD2 2.82Å; G760-D798 PolarHBondContact N-OD1 3.49Å; G760-D798 PolarHBondContact N-OD2 3.03Å; L761-D798 PolarHBondContact N-OD2 3.11Å; S796-D798 PolarHBondContact OG-OD1 2.96Å
799	D	86.9	Confident	87.1	Confident	101 Å²	101	52 Å²	52	54%	0.54	24%	0.243	S	C	.	.			trans	-74.4	124.6	179	-174.2	10.9	0	0	0	111	G760 S801	G760-D799 WeakPolarHBondContact CA-O 3.43Å; D799-S801 WeakPolarHBondContact OD1-CB 3.41Å; D799-S801 PolarHBondContact OD1-N 2.9Å; D799-S801 PolarHBondContact OD1-OG 3.26Å
800	I	90.1	Very high	86.8	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	26%	0.264	C	S	.	.			trans	-96.2	-24.3	179.1	58.4	167.5	0	0	0	112.5	T759 L763 E802 Y803 A804 E826 E829 I830	T759-I800 HydrophobicContact CG2-CG2 4.22Å; L763-I800 HydrophobicContact CD1-CB 4.46Å; I800-E802 VanDerWaalsContact C-N 3.35Å; I800-E802 PolarHBondContact O-N 3.39Å; I800-Y803 PolarHBondContact O-N 3.28Å; I800-A804 VanDerWaalsContact O-CB 3.23Å; I800-A804 WeakPolarHBondContact O-CB 2.91Å; I800-A804 PolarHBondContact O-N 3.11Å; I800-E826 HydrophobicContact CD1-CB 3.52Å; I800-E826 HydrophobicContact CD1-CG 3.72Å; I800-E826 WeakPolarHBondContact CD1-O 3.14Å; I800-E829 HydrophobicContact CD1-CB 4.29Å; I800-E829 HydrophobicContact CD1-CG 4.35Å; I800-I830 HydrophobicContact CD1-CD1 4.39Å; I800-I830 HydrophobicContact CD1-CG1 4.26Å
801	S	87.5	Confident	86.4	Confident	45 Å²	45	56.9 Å²	56.9	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-44.3	-168.7	-56	0	0	0	0	112	D799 K805 E829	D799-S801 WeakPolarHBondContact OD1-CB 3.41Å; D799-S801 PolarHBondContact OD1-N 2.9Å; D799-S801 PolarHBondContact OD1-OG 3.26Å; S801-K805 VanDerWaalsContact O-CB 3.29Å; S801-K805 WeakPolarHBondContact O-CB 3.34Å; S801-K805 PolarHBondContact O-N 3.05Å; S801-K805 VanDerWaalsContact O-N 3.08Å; S801-E829 VanDerWaalsContact CA-OE1 3.26Å; S801-E829 WeakPolarHBondContact CA-OE1 3.34Å; S801-E829 WeakPolarHBondContact CB-OE1 3.43Å; S801-E829 VanDerWaalsContact OG-CD 3.26Å; S801-E829 PolarHBondContact OG-OE1 3.12Å; S801-E829 PolarHBondContact OG-OE2 2.67Å
802	E	88.8	Confident	86.4	Confident	89 Å²	89	57 Å²	57	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-51.5	-176.1	-170.8	-170.3	162	0	0	112	I800 K806	I800-E802 VanDerWaalsContact C-N 3.35Å; I800-E802 PolarHBondContact O-N 3.39Å; E802-K806 HydrophobicContact CG-CD 4.36Å; E802-K806 WeakPolarHBondContact O-CG 3.28Å; E802-K806 PolarHBondContact O-N 3.46Å; E802-K806 IonicContact OE1-NZ 3.35Å; E802-K806 PolarHBondContact OE1-NZ 2.87Å
803	Y	91.6	Very high	86.6	Confident	35 Å²	35	58.9 Å²	58.9	14%	0.137	30%	0.302	C	S	.	.	H	α-helix	trans	-83.6	-28	-173.7	-68.6	-79.6	0	0	0	112.7	K764 I800 K805 K806 A807	K764-Y803 HydrophobicContact CB-CD1 3.57Å; K764-Y803 HydrophobicContact CB-CD2 4.09Å; K764-Y803 HydrophobicContact CB-CE1 3.6Å; K764-Y803 HydrophobicContact CB-CE2 4.15Å; K764-Y803 HydrophobicContact CB-CG 3.82Å; K764-Y803 HydrophobicContact CD-CE1 3.72Å; K764-Y803 HydrophobicContact CD-CE2 4.17Å; K764-Y803 WeakPolarHBondContact CD-OH 3.02Å; K764-Y803 WeakPolarHBondContact CE-OH 3.31Å; K764-Y803 HydrophobicContact CG-CD1 3.88Å; K764-Y803 HydrophobicContact CG-CE1 3.41Å; K764-Y803 VanDerWaalsContact CG-CE1 3.41Å; K764-Y803 HydrophobicContact CG-CE2 4.44Å; K764-Y803 PolarHBondContact NZ-OH 2.72Å; I800-Y803 PolarHBondContact O-N 3.28Å; Y803-K805 VanDerWaalsContact C-N 3.35Å; Y803-K806 HydrophobicContact CD1-CD 4.44Å; Y803-A807 VanDerWaalsContact O-CB 3.28Å; Y803-A807 WeakPolarHBondContact O-CB 3.06Å; Y803-A807 PolarHBondContact O-N 2.89Å
804	A	91.8	Very high	87.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-45.4	168.3	0	0	0	0	0	111	L763 I800 A807 K808 I830	L763-A804 HydrophobicContact CD1-CB 4.1Å; I800-A804 VanDerWaalsContact O-CB 3.23Å; I800-A804 WeakPolarHBondContact O-CB 2.91Å; I800-A804 PolarHBondContact O-N 3.11Å; A804-A807 PolarHBondContact O-N 3.46Å; A804-K808 WeakPolarHBondContact O-CE 3.35Å; A804-K808 WeakPolarHBondContact O-CG 3.4Å; A804-K808 PolarHBondContact O-N 3.28Å; A804-K808 VanDerWaalsContact O-N 3.17Å; A804-I830 HydrophobicContact CB-CG1 4.48Å
805	K	90.6	Very high	88.5	Confident	128 Å²	128	58 Å²	58	56%	0.557	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-48.1	176.7	-169.2	-175.4	-174.6	-144.5	0	112.1	S801 Y803 A807 K808 E809	S801-K805 VanDerWaalsContact O-CB 3.29Å; S801-K805 WeakPolarHBondContact O-CB 3.34Å; S801-K805 PolarHBondContact O-N 3.05Å; S801-K805 VanDerWaalsContact O-N 3.08Å; Y803-K805 VanDerWaalsContact C-N 3.35Å; K805-A807 VanDerWaalsContact C-N 3.3Å; K805-A807 PolarHBondContact O-N 2.92Å; K805-K808 PolarHBondContact O-N 2.75Å; K805-E809 WeakPolarHBondContact CE-OE1 3.26Å; K805-E809 HydrophobicContact CG-CG 4.45Å; K805-E809 IonicContact NZ-OE1 2.79Å; K805-E809 PolarHBondContact NZ-OE1 2.02Å; K805-E809 VanDerWaalsContact NZ-OE1 3.16Å; K805-E809 WeakPolarHBondContact O-CG 3.39Å; K805-E809 PolarHBondContact O-N 2.94Å
806	K	92.4	Very high	88.9	Confident	85 Å²	85	49.2 Å²	49.2	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-36.5	178.5	-75.7	175.2	173.7	173.6	0	112.9	L767 E802 Y803 A810	L767-K806 HydrophobicContact CD2-CB 3.7Å; E802-K806 HydrophobicContact CG-CD 4.36Å; E802-K806 WeakPolarHBondContact O-CG 3.28Å; E802-K806 PolarHBondContact O-N 3.46Å; E802-K806 IonicContact OE1-NZ 3.35Å; E802-K806 PolarHBondContact OE1-NZ 2.87Å; Y803-K806 HydrophobicContact CD1-CD 4.44Å; K806-A810 VanDerWaalsContact O-CB 3.29Å; K806-A810 WeakPolarHBondContact O-CB 3.36Å; K806-A810 PolarHBondContact O-N 3.36Å
807	A	90.4	Very high	89	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-44.6	175.3	0	0	0	0	0	111.7	M766 Y803 A804 K805 A810 I812 M814	M766-A807 HydrophobicContact CE-CB 4.31Å; Y803-A807 VanDerWaalsContact O-CB 3.28Å; Y803-A807 WeakPolarHBondContact O-CB 3.06Å; Y803-A807 PolarHBondContact O-N 2.89Å; A804-A807 PolarHBondContact O-N 3.46Å; K805-A807 VanDerWaalsContact C-N 3.3Å; K805-A807 PolarHBondContact O-N 2.92Å; A807-A810 PolarHBondContact O-N 2.82Å; A807-I812 HydrophobicContact CB-CD1 4.34Å; A807-I812 WeakPolarHBondContact O-CB 3.41Å; A807-I812 PolarHBondContact O-N 3.09Å; A807-I812 VanDerWaalsContact O-N 3.13Å; A807-M814 HydrophobicContact CB-CG 4.27Å; A807-M814 HydrophobicContact CB-SD 3.96Å
808	K	90.6	Very high	88.9	Confident	72 Å²	72	42.6 Å²	42.6	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-44.8	175.4	-70.5	-175.9	-83.2	-162.9	0	112.4	A804 K805 A810 G811 M814 E829 A831	A804-K808 WeakPolarHBondContact O-CE 3.35Å; A804-K808 WeakPolarHBondContact O-CG 3.4Å; A804-K808 PolarHBondContact O-N 3.28Å; A804-K808 VanDerWaalsContact O-N 3.17Å; K805-K808 PolarHBondContact O-N 2.75Å; K808-A810 PolarHBondContact O-N 3.4Å; K808-G811 PolarHBondContact O-N 2.85Å; K808-M814 HydrophobicContact CG-CG 4.13Å; K808-E829 PolarHBondContact NZ-O 2.93Å; K808-A831 PolarHBondContact NZ-O 2.99Å
809	E	88.4	Confident	88.2	Confident	129 Å²	129	41.6 Å²	41.6	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-63.9	-28.6	175.7	-72.3	174.5	174.3	0	0	112.6	K805 G811	K805-E809 WeakPolarHBondContact CE-OE1 3.26Å; K805-E809 HydrophobicContact CG-CG 4.45Å; K805-E809 IonicContact NZ-OE1 2.79Å; K805-E809 PolarHBondContact NZ-OE1 2.02Å; K805-E809 VanDerWaalsContact NZ-OE1 3.16Å; K805-E809 WeakPolarHBondContact O-CG 3.39Å; K805-E809 PolarHBondContact O-N 2.94Å; E809-G811 PolarHBondContact O-N 2.87Å
810	A	85.4	Confident	87.4	Confident	53 Å²	53	38 Å²	38	44%	0.438	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.9	173.9	0	0	0	0	0	113.8	L767 K806 A807 K808 I812	L767-A810 HydrophobicContact CD1-CB 3.76Å; K806-A810 VanDerWaalsContact O-CB 3.29Å; K806-A810 WeakPolarHBondContact O-CB 3.36Å; K806-A810 PolarHBondContact O-N 3.36Å; A807-A810 PolarHBondContact O-N 2.82Å; K808-A810 PolarHBondContact O-N 3.4Å; A810-I812 HydrophobicContact CB-CD1 4.44Å; A810-I812 HydrophobicContact CB-CG1 4.45Å
811	G	84.4	Confident	86.1	Confident	53 Å²	53	46 Å²	46	55%	0.546	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	22.4	179.1	0	0	0	0	0	114	K808 E809	K808-G811 PolarHBondContact O-N 2.85Å; E809-G811 PolarHBondContact O-N 2.87Å
812	I	89.8	Confident	85	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.3	174.7	-54	169.8	0	0	0	108.4	L767 F771 R786 A807 A810 M814	L767-I812 HydrophobicContact CD1-CD1 3.73Å; F771-I812 HydrophobicContact CD2-CD1 3.64Å; F771-I812 HydrophobicContact CD2-CG1 4.4Å; F771-I812 HydrophobicContact CE2-CD1 3.97Å; F771-I812 HydrophobicContact CE2-CG1 4.44Å; F771-I812 HydrophobicContact CE2-CG2 3.82Å; F771-I812 HydrophobicContact CG-CD1 4.4Å; F771-I812 HydrophobicContact CZ-CG2 4.21Å; R786-I812 HydrophobicContact CB-CG1 4.18Å; R786-I812 HydrophobicContact CB-CG2 4.42Å; R786-I812 WeakPolarHBondContact O-CA 3.45Å; A807-I812 HydrophobicContact CB-CD1 4.34Å; A807-I812 WeakPolarHBondContact O-CB 3.41Å; A807-I812 PolarHBondContact O-N 3.09Å; A807-I812 VanDerWaalsContact O-N 3.13Å; A810-I812 HydrophobicContact CB-CD1 4.44Å; A810-I812 HydrophobicContact CB-CG1 4.45Å; I812-M814 HydrophobicContact CB-SD 4.29Å; I812-M814 HydrophobicContact CG2-SD 3.63Å; I812-M814 PolarHBondContact O-N 3.15Å
813	T	90.8	Very high	84.3	Confident	46 Å²	46	42.4 Å²	42.4	28%	0.282	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115	172.7	-53.5	0	0	0	0	109.1	R786 I787 G788 Y815	R786-T813 PolarHBondContact O-N 3.38Å; I787-T813 WeakPolarHBondContact CA-O 3.21Å; G788-T813 PolarHBondContact N-O 2.99Å; T813-Y815 HydrophobicContact CG2-CD2 4.22Å; T813-Y815 HydrophobicContact CG2-CE2 3.72Å
814	M	90.9	Very high	83.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.8	-176.4	-62.3	-56.3	-55.6	0	0	111.1	L763 M766 G788 V790 A807 K808 I812 I830 A831 S832 H838	L763-M814 HydrophobicContact CD2-CE 3.68Å; M766-M814 HydrophobicContact CE-CE 3.5Å; M766-M814 HydrophobicContact CE-SD 3.5Å; M766-M814 VanDerWaalsContact CE-SD 3.5Å; M766-M814 HydrophobicContact SD-CE 4.26Å; G788-M814 CarbonylContact O-C 3.49Å; G788-M814 WeakPolarHBondContact O-CA 3.33Å; V790-M814 HydrophobicContact CG2-CE 3.7Å; A807-M814 HydrophobicContact CB-CG 4.27Å; A807-M814 HydrophobicContact CB-SD 3.96Å; K808-M814 HydrophobicContact CG-CG 4.13Å; I812-M814 HydrophobicContact CB-SD 4.29Å; I812-M814 HydrophobicContact CG2-SD 3.63Å; I812-M814 PolarHBondContact O-N 3.15Å; M814-I830 WeakPolarHBondContact CB-O 3.5Å; M814-I830 HydrophobicContact CE-CG2 4.09Å; M814-A831 WeakPolarHBondContact O-CA 3.26Å; M814-S832 WeakPolarHBondContact CB-OG 3.38Å; M814-S832 PolarHBondContact N-OG 3.09Å; M814-S832 PolarHBondContact O-N 2.88Å; M814-H838 WeakPolarHBondContact O-CB 2.98Å
815	Y	90.7	Very high	82.9	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.6	169.4	-73.2	-101.5	0	0	0	109.8	I787 G788 L789 V790 T813 H838 Y840 L855 N858	I787-Y815 HydrophobicContact CG2-CD2 3.61Å; I787-Y815 HydrophobicContact CG2-CE2 3.79Å; G788-Y815 PolarHBondContact O-N 3.28Å; L789-Y815 VanDerWaalsContact CD1-CB 3.4Å; L789-Y815 HydrophobicContact CD1-CG 4.35Å; V790-Y815 PolarHBondContact N-O 2.94Å; T813-Y815 HydrophobicContact CG2-CD2 4.22Å; T813-Y815 HydrophobicContact CG2-CE2 3.72Å; Y815-H838 CarbonylContact C-O 3.5Å; Y815-H838 VanDerWaalsContact CA-O 3.28Å; Y815-H838 WeakPolarHBondContact CA-O 3.15Å; Y815-H838 HydrophobicContact CD1-CB 4.38Å; Y815-H838 AromaticContact CD1-CD2 3.96Å; Y815-H838 AromaticContact CE1-CD2 3.48Å; Y815-H838 VanDerWaalsContact CE1-CD2 3.48Å; Y815-H838 WeakPolarHBondContact CE1-CD2 3.29Å; Y815-H838 AromaticContact CE2-CD2 3.67Å; Y815-H838 AromaticContact CZ-CD2 3.32Å; Y815-H838 AromaticContact CZ-NE2 3.89Å; Y815-Y840 AromaticContact CD1-CE2 3.99Å; Y815-Y840 HydrophobicContact CD1-CE2 3.99Å; Y815-Y840 HydrophobicContact CE1-CE2 4.32Å; Y815-L855 HydrophobicContact CE2-CD2 4.09Å; Y815-N858 PolarHBondContact OH-ND2 2.82Å
816	A	88.9	Confident	82.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.1	-179.4	0	0	0	0	0	110.5	L827 I830 A831 H838 Y840	A816-L827 HydrophobicContact CB-CB 4.1Å; A816-L827 HydrophobicContact CB-CD2 3.82Å; A816-L827 WeakPolarHBondContact CB-O 3.26Å; A816-I830 HydrophobicContact CB-CB 4.08Å; A816-I830 HydrophobicContact CB-CG2 4.04Å; A816-A831 HydrophobicContact CB-CB 4.26Å; A816-H838 PolarHBondContact N-O 3.31Å; A816-Y840 PolarHBondContact O-N 2.63Å
817	V	87.4	Confident	82	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.7	-178.9	-175	0	0	0	0	109.5	L789 V790 F791 T792 Y840 T842 I851	L789-V817 HydrophobicContact CD1-CG2 3.67Å; V790-V817 PolarHBondContact O-N 2.98Å; F791-V817 WeakPolarHBondContact CA-O 3.22Å; F791-V817 HydrophobicContact CD1-CB 3.76Å; F791-V817 HydrophobicContact CD1-CG1 3.85Å; F791-V817 HydrophobicContact CD1-CG2 4.41Å; F791-V817 HydrophobicContact CE1-CB 3.93Å; F791-V817 HydrophobicContact CE1-CG1 3.92Å; F791-V817 HydrophobicContact CE1-CG2 4.11Å; F791-V817 HydrophobicContact CG-CB 4.5Å; T792-V817 PolarHBondContact N-O 3.16Å; V817-Y840 CarbonylContact C-O 3.51Å; V817-Y840 WeakPolarHBondContact CA-O 3.22Å; V817-T842 HydrophobicContact CG1-CG2 3.84Å; V817-I851 HydrophobicContact CG2-CD1 3.88Å
818	G	82.7	Confident	81.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.3	171.9	0	0	0	0	0	111.1	T792 Y840 T842	T792-G818 WeakPolarHBondContact O-CA 3.26Å; G818-Y840 PolarHBondContact N-O 2.95Å; G818-T842 WeakPolarHBondContact O-CG2 3.02Å; G818-T842 PolarHBondContact O-N 2.84Å
819	V	73.2	Confident	81.6	Confident	25 Å²	25	44.8 Å²	44.8	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136	170.4	-178.3	0	0	0	0	107.7	N695 V699 T792 D793 K821	N695-V819 HydrophobicContact CB-CG1 4.24Å; V699-V819 HydrophobicContact CG2-CG2 4.16Å; T792-V819 PolarHBondContact O-N 2.92Å; D793-V819 WeakPolarHBondContact CA-O 3.19Å; D793-V819 HydrophobicContact CB-CB 4.43Å; D793-V819 WeakPolarHBondContact CB-O 3.46Å; V819-K821 PolarHBondContact O-N 3.17Å
820	G	68.4	Low	81.6	Confident	26 Å²	26	38.7 Å²	38.7	27%	0.268	22%	0.22	S	C	.	.	S	Bend	trans	72.4	-112.6	169.6	0	0	0	0	0	115.8	D793 Y841	D793-G820 VanDerWaalsContact OD1-CA 3.3Å; D793-G820 WeakPolarHBondContact OD1-CA 3.44Å; G820-Y841 PolarHBondContact O-OH 3.02Å
821	K	62.7	Low	81.7	Confident	175 Å²	175	36.2 Å²	36.2	76%	0.761	20%	0.199	S	C	*	.	S	Bend	trans	-107.7	32.4	-176.4	-67.9	-170.7	177.6	-172.8	0	112.8	D793 V819	D793-K821 CarbonylContact O-C 3.46Å; D793-K821 PolarHBondContact OD1-N 3.04Å; V819-K821 PolarHBondContact O-N 3.17Å
822	A	65.8	Low	82	Confident	9 Å²	9	34.3 Å²	34.3	7%	0.074	18%	0.177	C	C	.	.			trans	-58.8	152.8	177.5	0	0	0	0	0	112.2	T792 D793 L827 Y841	T792-A822 WeakPolarHBondContact O-CB 3.24Å; D793-A822 PolarHBondContact O-N 3.02Å; A822-L827 HydrophobicContact CB-CD1 3.7Å; A822-Y841 HydrophobicContact CB-CE2 4.14Å; A822-Y841 WeakPolarHBondContact O-CE2 3.46Å
823	V	72.8	Confident	81.6	Confident	49 Å²	49	40.5 Å²	40.5	30%	0.297	21%	0.211	S	C	.	.			trans	-90.1	113.2	177.4	-179.2	0	0	0	0	108.3	R795 D825 E826 L827	R795-V823 HydrophobicContact CB-CG2 3.81Å; R795-V823 HydrophobicContact CG-CG2 4.08Å; V823-D825 VanDerWaalsContact C-N 3.32Å; V823-D825 HydrophobicContact CG1-CB 4.34Å; V823-D825 PolarHBondContact O-N 2.88Å; V823-E826 HydrophobicContact CB-CB 4.37Å; V823-E826 HydrophobicContact CB-CG 4.23Å; V823-E826 HydrophobicContact CG1-CG 4.15Å; V823-E826 PolarHBondContact O-N 3.44Å; V823-L827 PolarHBondContact O-N 2.86Å
824	E	76.2	Confident	81.1	Confident	80 Å²	80	41.7 Å²	41.7	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-57.4	-41.5	-176.6	172.5	165.5	-171.8	0	0	113	E826 L827 R828 F839	E824-E826 VanDerWaalsContact C-N 3.26Å; E824-E826 PolarHBondContact O-N 2.74Å; E824-L827 PolarHBondContact O-N 2.89Å; E824-L827 VanDerWaalsContact O-N 3.1Å; E824-R828 HydrophobicContact CG-CG 4.09Å; E824-R828 WeakPolarHBondContact O-CG 3.29Å; E824-R828 PolarHBondContact O-N 2.79Å; E824-R828 IonicContact OE1-CZ 3.72Å; E824-R828 IonicContact OE1-NE 2.86Å; E824-R828 PolarHBondContact OE1-NE 3.43Å; E824-R828 IonicContact OE1-NH2 3.05Å; E824-R828 PolarHBondContact OE1-NH2 3.47Å; E824-F839 HydrophobicContact CB-CZ 4.21Å; E824-F839 HydrophobicContact CG-CE1 4.1Å; E824-F839 HydrophobicContact CG-CE2 4.11Å; E824-F839 HydrophobicContact CG-CZ 3.51Å; E824-F839 WeakPolarHBondContact OE1-CE1 3.46Å
825	D	78	Confident	80.3	Confident	125 Å²	125	43.3 Å²	43.3	67%	0.668	23%	0.229	S	C	*	.	H	α-helix	trans	-56.6	-40.7	178.6	-64.3	-29.2	0	0	0	112.1	V823 E829	V823-D825 VanDerWaalsContact C-N 3.32Å; V823-D825 HydrophobicContact CG1-CB 4.34Å; V823-D825 PolarHBondContact O-N 2.88Å; D825-E829 WeakPolarHBondContact O-CB 3.29Å; D825-E829 PolarHBondContact O-N 3.25Å; D825-E829 VanDerWaalsContact O-N 3.08Å
826	E	80.8	Confident	79.4	Confident	27 Å²	27	49.7 Å²	49.7	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-70.6	-36.3	179.3	-70.2	-172.8	179.8	0	0	111.8	R795 S796 I800 V823 E824 E829 I830	R795-E826 WeakPolarHBondContact CA-OE2 3.3Å; R795-E826 WeakPolarHBondContact CG-OE1 3.2Å; R795-E826 IonicContact NE-OE1 3.23Å; S796-E826 PolarHBondContact N-OE2 2.74Å; I800-E826 HydrophobicContact CD1-CB 3.52Å; I800-E826 HydrophobicContact CD1-CG 3.72Å; I800-E826 WeakPolarHBondContact CD1-O 3.14Å; V823-E826 HydrophobicContact CB-CB 4.37Å; V823-E826 HydrophobicContact CB-CG 4.23Å; V823-E826 HydrophobicContact CG1-CG 4.15Å; V823-E826 PolarHBondContact O-N 3.44Å; E824-E826 VanDerWaalsContact C-N 3.26Å; E824-E826 PolarHBondContact O-N 2.74Å; E826-E829 PolarHBondContact O-N 3.3Å; E826-I830 WeakPolarHBondContact O-CD1 3.11Å; E826-I830 VanDerWaalsContact O-CG1 3.25Å; E826-I830 WeakPolarHBondContact O-CG1 3.37Å; E826-I830 PolarHBondContact O-N 3Å
827	L	84.2	Confident	78.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-42.5	177.4	-70.6	167.1	0	0	0	112.1	T792 A816 A822 V823 E824 E829 I830 A831 F839 Y841	T792-L827 HydrophobicContact CG2-CD2 3.31Å; T792-L827 HydrophobicContact CG2-CG 4.15Å; A816-L827 HydrophobicContact CB-CB 4.1Å; A816-L827 HydrophobicContact CB-CD2 3.82Å; A816-L827 WeakPolarHBondContact CB-O 3.26Å; A822-L827 HydrophobicContact CB-CD1 3.7Å; V823-L827 PolarHBondContact O-N 2.86Å; E824-L827 PolarHBondContact O-N 2.89Å; E824-L827 VanDerWaalsContact O-N 3.1Å; L827-E829 VanDerWaalsContact C-N 3.25Å; L827-E829 PolarHBondContact O-N 3.49Å; L827-I830 PolarHBondContact O-N 2.89Å; L827-A831 WeakPolarHBondContact O-CB 3.49Å; L827-A831 PolarHBondContact O-N 3.2Å; L827-F839 HydrophobicContact CB-CD2 3.56Å; L827-F839 HydrophobicContact CB-CE2 3.44Å; L827-F839 VanDerWaalsContact CB-CE2 3.44Å; L827-F839 HydrophobicContact CD1-CD2 4.45Å; L827-F839 HydrophobicContact CD1-CE2 3.7Å; L827-F839 HydrophobicContact CG-CE2 4.22Å; L827-Y841 HydrophobicContact CD1-CD2 4.29Å
828	R	85.1	Confident	78.3	Confident	62 Å²	62	56.3 Å²	56.3	23%	0.234	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-37.1	174.7	-73.4	-179.8	164	-138	-10.8	111.4	E197 E824 I830 A831 V835 E836 F839	E197-R828 IonicContact OE1-CZ 2.65Å; E197-R828 IonicContact OE1-NH1 3.65Å; E197-R828 PolarHBondContact OE1-NH1 3.48Å; E197-R828 IonicContact OE1-NH2 2.74Å; E824-R828 HydrophobicContact CG-CG 4.09Å; E824-R828 WeakPolarHBondContact O-CG 3.29Å; E824-R828 PolarHBondContact O-N 2.79Å; E824-R828 IonicContact OE1-CZ 3.72Å; E824-R828 IonicContact OE1-NE 2.86Å; E824-R828 PolarHBondContact OE1-NE 3.43Å; E824-R828 IonicContact OE1-NH2 3.05Å; E824-R828 PolarHBondContact OE1-NH2 3.47Å; R828-I830 VanDerWaalsContact C-N 3.34Å; R828-A831 PolarHBondContact O-N 3.29Å; R828-V835 HydrophobicContact CB-CG1 4.01Å; R828-V835 HydrophobicContact CG-CG1 3.82Å; R828-E836 IonicContact NH2-OE1 3.18Å; R828-F839 HydrophobicContact CG-CD1 4.36Å; R828-F839 HydrophobicContact CG-CD2 4.25Å; R828-F839 HydrophobicContact CG-CE2 4.47Å; R828-F839 HydrophobicContact CG-CG 4.18Å
829	E	86.3	Confident	78.2	Confident	74 Å²	74	57.3 Å²	57.3	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-36.1	176.4	-179.6	162.5	-152.7	0	0	113	I800 S801 K808 D825 E826 L827	I800-E829 HydrophobicContact CD1-CB 4.29Å; I800-E829 HydrophobicContact CD1-CG 4.35Å; S801-E829 VanDerWaalsContact CA-OE1 3.26Å; S801-E829 WeakPolarHBondContact CA-OE1 3.34Å; S801-E829 WeakPolarHBondContact CB-OE1 3.43Å; S801-E829 VanDerWaalsContact OG-CD 3.26Å; S801-E829 PolarHBondContact OG-OE1 3.12Å; S801-E829 PolarHBondContact OG-OE2 2.67Å; K808-E829 PolarHBondContact NZ-O 2.93Å; D825-E829 WeakPolarHBondContact O-CB 3.29Å; D825-E829 PolarHBondContact O-N 3.25Å; D825-E829 VanDerWaalsContact O-N 3.08Å; E826-E829 PolarHBondContact O-N 3.3Å; L827-E829 VanDerWaalsContact C-N 3.25Å; L827-E829 PolarHBondContact O-N 3.49Å
830	I	88.8	Confident	78.4	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-71.2	-42.1	175	-66.4	166.4	0	0	0	110.9	T759 L763 V790 I800 A804 M814 A816 E826 L827 R828	T759-I830 HydrophobicContact CG2-CD1 3.76Å; L763-I830 HydrophobicContact CD1-CD1 4.47Å; L763-I830 HydrophobicContact CD1-CG1 4.11Å; L763-I830 HydrophobicContact CD2-CG2 4.35Å; V790-I830 HydrophobicContact CB-CG2 4.31Å; V790-I830 HydrophobicContact CG2-CG2 3.85Å; I800-I830 HydrophobicContact CD1-CD1 4.39Å; I800-I830 HydrophobicContact CD1-CG1 4.26Å; A804-I830 HydrophobicContact CB-CG1 4.48Å; M814-I830 WeakPolarHBondContact CB-O 3.5Å; M814-I830 HydrophobicContact CE-CG2 4.09Å; A816-I830 HydrophobicContact CB-CB 4.08Å; A816-I830 HydrophobicContact CB-CG2 4.04Å; E826-I830 WeakPolarHBondContact O-CD1 3.11Å; E826-I830 VanDerWaalsContact O-CG1 3.25Å; E826-I830 WeakPolarHBondContact O-CG1 3.37Å; E826-I830 PolarHBondContact O-N 3Å; L827-I830 PolarHBondContact O-N 2.89Å; R828-I830 VanDerWaalsContact C-N 3.34Å
831	A	89.1	Confident	78.6	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.008	30%	0.297	C	S	.	.	S	Bend	trans	-60.8	151	-176.5	0	0	0	0	0	113.3	K808 M814 A816 L827 R828 V835 H838 F839	K808-A831 PolarHBondContact NZ-O 2.99Å; M814-A831 WeakPolarHBondContact O-CA 3.26Å; A816-A831 HydrophobicContact CB-CB 4.26Å; L827-A831 WeakPolarHBondContact O-CB 3.49Å; L827-A831 PolarHBondContact O-N 3.2Å; R828-A831 PolarHBondContact O-N 3.29Å; A831-V835 HydrophobicContact CB-CG1 4.34Å; A831-H838 HydrophobicContact CB-CB 4.05Å; A831-F839 HydrophobicContact CB-CB 4.08Å
832	S	89.6	Confident	78.5	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-89.8	159.8	174.1	-62.8	0	0	0	0	112.5	M814 P834 V835 H838	M814-S832 WeakPolarHBondContact CB-OG 3.38Å; M814-S832 PolarHBondContact N-OG 3.09Å; M814-S832 PolarHBondContact O-N 2.88Å; S832-P834 CarbonylContact O-C 3.58Å; S832-P834 VanDerWaalsContact O-C 3.28Å; S832-V835 WeakPolarHBondContact O-CA 3.24Å; S832-V835 PolarHBondContact O-N 2.6Å; S832-H838 WeakPolarHBondContact O-CB 3.3Å; S832-H838 PolarHBondContact O-ND1 2.9Å
833	D	80.9	Confident	78	Confident	134 Å²	134	58.7 Å²	58.7	72%	0.717	30%	0.295	S	S	*	.	S	Bend	trans	-73	143.6	176.8	-69.9	-46.4	0	0	0	112	H838	D833-H838 PolarHBondContact O-CE1 2.81Å; D833-H838 VanDerWaalsContact O-CE1 3.32Å
834	P	80.9	Confident	76.9	Confident	70 Å²	70	61.6 Å²	61.6	46%	0.455	31%	0.309	S	S	.	.	S	Bend	cis	-72.4	129.6	-9.8	29.4	-33	0	0	0	111.1	S832 E836 K837 H838	S832-P834 CarbonylContact O-C 3.58Å; S832-P834 VanDerWaalsContact O-C 3.28Å; P834-E836 VanDerWaalsContact C-N 3.26Å; P834-E836 PolarHBondContact O-N 3.12Å; P834-K837 HydrophobicContact CG-CB 4.13Å; P834-K837 HydrophobicContact CG-CD 3.74Å; P834-K837 HydrophobicContact CG-CG 3.87Å; P834-K837 PolarHBondContact O-N 3.44Å; P834-H838 PolarHBondContact O-ND1 3.39Å; P834-H838 VanDerWaalsContact O-ND1 3.13Å
835	V	74.1	Confident	75.8	Confident	34 Å²	34	61.7 Å²	61.7	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-54.2	-41.6	-173.4	176.6	0	0	0	0	112	R828 A831 S832 K837 H838 F839	R828-V835 HydrophobicContact CB-CG1 4.01Å; R828-V835 HydrophobicContact CG-CG1 3.82Å; A831-V835 HydrophobicContact CB-CG1 4.34Å; S832-V835 WeakPolarHBondContact O-CA 3.24Å; S832-V835 PolarHBondContact O-N 2.6Å; V835-K837 PolarHBondContact O-N 2.9Å; V835-H838 PolarHBondContact O-N 3.39Å; V835-F839 HydrophobicContact CG1-CB 3.92Å; V835-F839 VanDerWaalsContact O-CB 3.26Å; V835-F839 WeakPolarHBondContact O-CB 3.25Å; V835-F839 PolarHBondContact O-N 3.39Å
836	E	71.4	Confident	74.8	Confident	137 Å²	137	60.3 Å²	60.3	64%	0.64	31%	0.309	S	S	*	.	H	α-helix	trans	-60.3	-17.5	-179.5	-51.8	-61.8	171.6	0	0	114.4	R828 P834	R828-E836 IonicContact NH2-OE1 3.18Å; P834-E836 VanDerWaalsContact C-N 3.26Å; P834-E836 PolarHBondContact O-N 3.12Å
837	K	74	Confident	73.7	Confident	125 Å²	125	59.6 Å²	59.6	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-98	-14.8	175.4	-64.1	-169.7	-177.7	179.8	0	113.8	P834 V835 Y840	P834-K837 HydrophobicContact CG-CB 4.13Å; P834-K837 HydrophobicContact CG-CD 3.74Å; P834-K837 HydrophobicContact CG-CG 3.87Å; P834-K837 PolarHBondContact O-N 3.44Å; V835-K837 PolarHBondContact O-N 2.9Å; K837-Y840 WeakPolarHBondContact O-CE2 3.45Å; K837-Y840 PolarHBondContact O-OH 3.01Å
838	H	79.4	Confident	72.6	Confident	14 Å²	14	59.9 Å²	59.9	7%	0.065	31%	0.309	C	S	.	.	H	α-helix	trans	-118.4	-7.5	-172.6	-62	116.7	0	0	0	113	M814 Y815 A816 A831 S832 D833 P834 V835	M814-H838 WeakPolarHBondContact O-CB 2.98Å; Y815-H838 CarbonylContact C-O 3.5Å; Y815-H838 VanDerWaalsContact CA-O 3.28Å; Y815-H838 WeakPolarHBondContact CA-O 3.15Å; Y815-H838 HydrophobicContact CD1-CB 4.38Å; Y815-H838 AromaticContact CD1-CD2 3.96Å; Y815-H838 AromaticContact CE1-CD2 3.48Å; Y815-H838 VanDerWaalsContact CE1-CD2 3.48Å; Y815-H838 WeakPolarHBondContact CE1-CD2 3.29Å; Y815-H838 AromaticContact CE2-CD2 3.67Å; Y815-H838 AromaticContact CZ-CD2 3.32Å; Y815-H838 AromaticContact CZ-NE2 3.89Å; A816-H838 PolarHBondContact N-O 3.31Å; A831-H838 HydrophobicContact CB-CB 4.05Å; S832-H838 WeakPolarHBondContact O-CB 3.3Å; S832-H838 PolarHBondContact O-ND1 2.9Å; D833-H838 PolarHBondContact O-CE1 2.81Å; D833-H838 VanDerWaalsContact O-CE1 3.32Å; P834-H838 PolarHBondContact O-ND1 3.39Å; P834-H838 VanDerWaalsContact O-ND1 3.13Å; V835-H838 PolarHBondContact O-N 3.39Å
839	F	80.9	Confident	71.5	Confident	20 Å²	20	62.3 Å²	62.3	9%	0.088	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.9	176.2	163.2	-106.5	0	0	0	110.3	E824 L827 R828 A831 V835 Y841	E824-F839 HydrophobicContact CB-CZ 4.21Å; E824-F839 HydrophobicContact CG-CE1 4.1Å; E824-F839 HydrophobicContact CG-CE2 4.11Å; E824-F839 HydrophobicContact CG-CZ 3.51Å; E824-F839 WeakPolarHBondContact OE1-CE1 3.46Å; L827-F839 HydrophobicContact CB-CD2 3.56Å; L827-F839 HydrophobicContact CB-CE2 3.44Å; L827-F839 VanDerWaalsContact CB-CE2 3.44Å; L827-F839 HydrophobicContact CD1-CD2 4.45Å; L827-F839 HydrophobicContact CD1-CE2 3.7Å; L827-F839 HydrophobicContact CG-CE2 4.22Å; R828-F839 HydrophobicContact CG-CD1 4.36Å; R828-F839 HydrophobicContact CG-CD2 4.25Å; R828-F839 HydrophobicContact CG-CE2 4.47Å; R828-F839 HydrophobicContact CG-CG 4.18Å; A831-F839 HydrophobicContact CB-CB 4.08Å; V835-F839 HydrophobicContact CG1-CB 3.92Å; V835-F839 VanDerWaalsContact O-CB 3.26Å; V835-F839 WeakPolarHBondContact O-CB 3.25Å; V835-F839 PolarHBondContact O-N 3.39Å; F839-Y841 HydrophobicContact CZ-CD2 4.49Å
840	Y	77.9	Confident	70.6	Confident	28 Å²	28	62 Å²	62	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.8	177	-62.7	-87.8	0	0	0	110.5	Y815 A816 V817 G818 K837 A847 T850 I851 N854	Y815-Y840 AromaticContact CD1-CE2 3.99Å; Y815-Y840 HydrophobicContact CD1-CE2 3.99Å; Y815-Y840 HydrophobicContact CE1-CE2 4.32Å; A816-Y840 PolarHBondContact O-N 2.63Å; V817-Y840 CarbonylContact C-O 3.51Å; V817-Y840 WeakPolarHBondContact CA-O 3.22Å; G818-Y840 PolarHBondContact N-O 2.95Å; K837-Y840 WeakPolarHBondContact O-CE2 3.45Å; K837-Y840 PolarHBondContact O-OH 3.01Å; Y840-A847 HydrophobicContact CD1-CB 4.03Å; Y840-A847 HydrophobicContact CG-CB 4.45Å; Y840-T850 HydrophobicContact CE1-CG2 4.13Å; Y840-I851 HydrophobicContact CD1-CD1 4.19Å; Y840-I851 HydrophobicContact CD1-CG1 4.13Å; Y840-I851 HydrophobicContact CD2-CD1 3.58Å; Y840-I851 HydrophobicContact CD2-CG1 3.58Å; Y840-I851 HydrophobicContact CE1-CG1 3.95Å; Y840-I851 HydrophobicContact CE2-CD1 3.96Å; Y840-I851 HydrophobicContact CE2-CG1 3.38Å; Y840-I851 HydrophobicContact CG-CD1 3.7Å; Y840-I851 HydrophobicContact CG-CG1 3.94Å; Y840-N854 PolarHBondContact OH-ND2 2.65Å
841	Y	71.9	Confident	69.5	Low	106 Å²	106	62 Å²	62	42%	0.416	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.3	169.9	-164.9	-87.5	0	0	0	109	G820 A822 L827 F839 T843	G820-Y841 PolarHBondContact O-OH 3.02Å; A822-Y841 HydrophobicContact CB-CE2 4.14Å; A822-Y841 WeakPolarHBondContact O-CE2 3.46Å; L827-Y841 HydrophobicContact CD1-CD2 4.29Å; F839-Y841 HydrophobicContact CZ-CD2 4.49Å; Y841-T843 HydrophobicContact CE1-CG2 4.39Å
842	T	61	Low	68.2	Low	18 Å²	18	62.2 Å²	62.2	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.3	-176	170	0	0	0	0	111.9	V817 G818 D844	V817-T842 HydrophobicContact CG1-CG2 3.84Å; G818-T842 WeakPolarHBondContact O-CG2 3.02Å; G818-T842 PolarHBondContact O-N 2.84Å; T842-D844 PolarHBondContact OG1-N 2.03Å; T842-D844 PolarHBondContact OG1-O 2.92Å
843	T	55.6	Low	67	Low	112 Å²	112	65.2 Å²	65.2	69%	0.687	35%	0.346	S	S	*	.	S	Bend	trans	-100.2	-10.9	158.1	57.3	0	0	0	0	112.1	Y841	Y841-T843 HydrophobicContact CE1-CG2 4.39Å
844	D	49.4	Very low	66.3	Low	111 Å²	111	60.5 Å²	60.5	59%	0.594	32%	0.321	S	S	*	.	S	Bend	trans	-152.6	152.4	179.8	-93.9	-44.8	0	0	0	112.9	T842 S846	T842-D844 PolarHBondContact OG1-N 2.03Å; T842-D844 PolarHBondContact OG1-O 2.92Å; D844-S846 PolarHBondContact O-N 2.8Å
845	F	52.3	Low	65.4	Low	81 Å²	81	57.5 Å²	57.5	36%	0.355	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	10.1	-164	-64.8	-97.6	0	0	0	117.5	L698 A847 I848	L698-F845 HydrophobicContact CB-CE1 4.17Å; L698-F845 HydrophobicContact CB-CZ 3.68Å; L698-F845 HydrophobicContact CD1-CE2 4.27Å; L698-F845 HydrophobicContact CD1-CZ 3.89Å; L698-F845 HydrophobicContact CD2-CE1 4.44Å; L698-F845 HydrophobicContact CD2-CE2 4.19Å; L698-F845 HydrophobicContact CD2-CZ 3.48Å; L698-F845 VanDerWaalsContact CD2-CZ 3.48Å; L698-F845 HydrophobicContact CG-CZ 3.81Å; F845-A847 PolarHBondContact O-N 2.92Å; F845-I848 HydrophobicContact CB-CD1 3.54Å; F845-I848 HydrophobicContact CD1-CD1 3.37Å; F845-I848 HydrophobicContact CE1-CD1 4.47Å; F845-I848 HydrophobicContact CG-CD1 3.91Å; F845-I848 WeakPolarHBondContact O-CB 3.46Å; F845-I848 VanDerWaalsContact O-CD1 3.28Å; F845-I848 WeakPolarHBondContact O-CD1 3.32Å; F845-I848 WeakPolarHBondContact O-CG1 3.19Å; F845-I848 PolarHBondContact O-N 3.29Å
846	S	56.9	Low	64.6	Low	97 Å²	97	61.5 Å²	61.5	68%	0.678	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.6	-177.6	56.8	0	0	0	0	114.2	D844 I848	D844-S846 PolarHBondContact O-N 2.8Å; S846-I848 PolarHBondContact O-N 3.02Å; S846-I848 VanDerWaalsContact O-N 3.1Å
847	A	58.5	Low	63.4	Low	11 Å²	11	61 Å²	61	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-13.5	177.6	0	0	0	0	0	113.6	Y840 F845 I851	Y840-A847 HydrophobicContact CD1-CB 4.03Å; Y840-A847 HydrophobicContact CG-CB 4.45Å; F845-A847 PolarHBondContact O-N 2.92Å; A847-I851 HydrophobicContact CB-CD1 4.33Å; A847-I851 WeakPolarHBondContact O-CD1 2.96Å; A847-I851 VanDerWaalsContact O-CG1 3.27Å; A847-I851 WeakPolarHBondContact O-CG1 3.24Å; A847-I851 PolarHBondContact O-N 3.02Å
848	I	61.1	Low	62	Low	7 Å²	7	59.4 Å²	59.4	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-69	-45.6	-173.9	-70.1	164.9	0	0	0	112.1	F702 Q705 F845 S846 T850 I851 A852	F702-I848 HydrophobicContact CD2-CD1 3.45Å; F702-I848 VanDerWaalsContact CD2-CD1 3.45Å; F702-I848 HydrophobicContact CD2-CG1 3.3Å; F702-I848 HydrophobicContact CE2-CB 4.38Å; F702-I848 HydrophobicContact CE2-CD1 3.84Å; F702-I848 HydrophobicContact CE2-CG1 3.13Å; F702-I848 HydrophobicContact CG-CD1 4.22Å; F702-I848 HydrophobicContact CG-CG1 4.16Å; F702-I848 HydrophobicContact CZ-CG1 3.84Å; Q705-I848 HydrophobicContact CB-CG2 3.97Å; F845-I848 HydrophobicContact CB-CD1 3.54Å; F845-I848 HydrophobicContact CD1-CD1 3.37Å; F845-I848 HydrophobicContact CE1-CD1 4.47Å; F845-I848 HydrophobicContact CG-CD1 3.91Å; F845-I848 WeakPolarHBondContact O-CB 3.46Å; F845-I848 VanDerWaalsContact O-CD1 3.28Å; F845-I848 WeakPolarHBondContact O-CD1 3.32Å; F845-I848 WeakPolarHBondContact O-CG1 3.19Å; F845-I848 PolarHBondContact O-N 3.29Å; S846-I848 PolarHBondContact O-N 3.02Å; S846-I848 VanDerWaalsContact O-N 3.1Å; I848-T850 VanDerWaalsContact C-N 3.31Å; I848-T850 PolarHBondContact O-N 2.9Å; I848-I851 PolarHBondContact O-N 2.67Å; I848-A852 WeakPolarHBondContact O-CB 3.42Å; I848-A852 PolarHBondContact O-N 2.74Å
849	N	61.6	Low	60.3	Low	113 Å²	113	61 Å²	61	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-64.6	-42	-179.7	-67.4	-16.3	0	0	0	109.9	A852 D853	N849-A852 PolarHBondContact O-N 3.38Å; N849-D853 VanDerWaalsContact O-CB 3.22Å; N849-D853 WeakPolarHBondContact O-CB 3.42Å; N849-D853 PolarHBondContact O-N 3.26Å
850	T	66.4	Low	58.3	Low	69 Å²	69	63.8 Å²	63.8	42%	0.423	35%	0.346	S	S	.	.	H	α-helix	trans	-64.8	-43.2	178.5	-42.7	0	0	0	0	112.5	Y840 I848 N854	Y840-T850 HydrophobicContact CE1-CG2 4.13Å; I848-T850 VanDerWaalsContact C-N 3.31Å; I848-T850 PolarHBondContact O-N 2.9Å; T850-N854 VanDerWaalsContact O-CB 3.25Å; T850-N854 WeakPolarHBondContact O-CB 3.46Å; T850-N854 PolarHBondContact O-N 2.82Å; T850-N854 PolarHBondContact O-ND2 3.27Å
851	I	66.6	Low	56.3	Low	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-45.9	177.1	-68.7	162.5	0	0	0	110.2	F702 V817 Y840 A847 I848 D853 N854 L855	F702-I851 HydrophobicContact CZ-CD1 3.77Å; V817-I851 HydrophobicContact CG2-CD1 3.88Å; Y840-I851 HydrophobicContact CD1-CD1 4.19Å; Y840-I851 HydrophobicContact CD1-CG1 4.13Å; Y840-I851 HydrophobicContact CD2-CD1 3.58Å; Y840-I851 HydrophobicContact CD2-CG1 3.58Å; Y840-I851 HydrophobicContact CE1-CG1 3.95Å; Y840-I851 HydrophobicContact CE2-CD1 3.96Å; Y840-I851 HydrophobicContact CE2-CG1 3.38Å; Y840-I851 HydrophobicContact CG-CD1 3.7Å; Y840-I851 HydrophobicContact CG-CG1 3.94Å; A847-I851 HydrophobicContact CB-CD1 4.33Å; A847-I851 WeakPolarHBondContact O-CD1 2.96Å; A847-I851 VanDerWaalsContact O-CG1 3.27Å; A847-I851 WeakPolarHBondContact O-CG1 3.24Å; A847-I851 PolarHBondContact O-N 3.02Å; I848-I851 PolarHBondContact O-N 2.67Å; I851-D853 VanDerWaalsContact C-N 3.34Å; I851-D853 PolarHBondContact O-N 3.07Å; I851-N854 PolarHBondContact O-N 2.85Å; I851-L855 HydrophobicContact CG2-CD1 3.83Å; I851-L855 HydrophobicContact CG2-CG 4.32Å; I851-L855 WeakPolarHBondContact O-CB 3.48Å; I851-L855 WeakPolarHBondContact O-CG 3.47Å; I851-L855 PolarHBondContact O-N 2.87Å
852	A	62.7	Low	54.6	Low	6 Å²	6	67.8 Å²	67.8	5%	0.05	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-43.7	177.1	0	0	0	0	0	112	S709 I848 N849 L855 K856	S709-A852 WeakPolarHBondContact OG-CB 3.02Å; I848-A852 WeakPolarHBondContact O-CB 3.42Å; I848-A852 PolarHBondContact O-N 2.74Å; N849-A852 PolarHBondContact O-N 3.38Å; A852-L855 PolarHBondContact O-N 2.86Å; A852-K856 WeakPolarHBondContact O-CG 3.23Å; A852-K856 PolarHBondContact O-N 3.05Å
853	D	63.8	Low	53.2	Low	76 Å²	76	76.1 Å²	76.1	41%	0.406	43%	0.434	S	S	.	.	H	α-helix	trans	-70.6	-38.9	178.5	-68.7	-25.3	0	0	0	111.5	N849 I851 L855 K856 L857	N849-D853 VanDerWaalsContact O-CB 3.22Å; N849-D853 WeakPolarHBondContact O-CB 3.42Å; N849-D853 PolarHBondContact O-N 3.26Å; I851-D853 VanDerWaalsContact C-N 3.34Å; I851-D853 PolarHBondContact O-N 3.07Å; D853-L855 VanDerWaalsContact C-N 3.35Å; D853-L855 PolarHBondContact O-N 2.01Å; D853-K856 CarbonylContact O-C 3.37Å; D853-K856 WeakPolarHBondContact O-CB 3.12Å; D853-K856 PolarHBondContact O-N 3.08Å; D853-K856 VanDerWaalsContact O-N 3.12Å; D853-K856 IonicContact OD1-NZ 3.91Å; D853-L857 HydrophobicContact CB-CD1 4.44Å; D853-L857 VanDerWaalsContact O-CB 3.3Å; D853-L857 WeakPolarHBondContact O-CB 3.04Å; D853-L857 WeakPolarHBondContact O-CD1 3.14Å; D853-L857 WeakPolarHBondContact O-CG 3Å; D853-L857 PolarHBondContact O-N 2.02Å
854	N	65	Low	52	Low	36 Å²	36	76 Å²	76	19%	0.193	44%	0.437	C	S	.	.	H	α-helix	trans	-65.2	-37.3	173.8	-76.7	-20.3	0	0	0	112.4	Y840 T850 I851 K856 L857 N858	Y840-N854 PolarHBondContact OH-ND2 2.65Å; T850-N854 VanDerWaalsContact O-CB 3.25Å; T850-N854 WeakPolarHBondContact O-CB 3.46Å; T850-N854 PolarHBondContact O-N 2.82Å; T850-N854 PolarHBondContact O-ND2 3.27Å; I851-N854 PolarHBondContact O-N 2.85Å; N854-K856 VanDerWaalsContact C-N 3.27Å; N854-K856 PolarHBondContact O-N 3.39Å; N854-L857 PolarHBondContact O-N 2.77Å; N854-N858 WeakPolarHBondContact O-CB 3.36Å; N854-N858 PolarHBondContact O-N 2.06Å
855	L	63.4	Low	51	Low	7 Å²	7	80.5 Å²	80.5	4%	0.037	46%	0.455	C	S	.	.	H	α-helix	trans	-69.1	-25.3	173.5	-68.3	172.5	0	0	0	112.3	V706 L710 I787 Y815 I851 A852 D853	V706-L855 HydrophobicContact CG1-CD1 3.9Å; L710-L855 HydrophobicContact CD2-CB 4.15Å; I787-L855 HydrophobicContact CD1-CD2 3.62Å; I787-L855 HydrophobicContact CG2-CD2 4Å; Y815-L855 HydrophobicContact CE2-CD2 4.09Å; I851-L855 HydrophobicContact CG2-CD1 3.83Å; I851-L855 HydrophobicContact CG2-CG 4.32Å; I851-L855 WeakPolarHBondContact O-CB 3.48Å; I851-L855 WeakPolarHBondContact O-CG 3.47Å; I851-L855 PolarHBondContact O-N 2.87Å; A852-L855 PolarHBondContact O-N 2.86Å; D853-L855 VanDerWaalsContact C-N 3.35Å; D853-L855 PolarHBondContact O-N 2.01Å
856	K	56.6	Low	49.9	Very low	117 Å²	117	80 Å²	80	51%	0.509	47%	0.472	S	S	.	.	H	α-helix	trans	-78.5	-37.6	169.9	-74	173.2	-178.6	169.3	0	113.5	S709 A852 D853 N854	S709-K856 WeakPolarHBondContact O-CE 3.49Å; A852-K856 WeakPolarHBondContact O-CG 3.23Å; A852-K856 PolarHBondContact O-N 3.05Å; D853-K856 CarbonylContact O-C 3.37Å; D853-K856 WeakPolarHBondContact O-CB 3.12Å; D853-K856 PolarHBondContact O-N 3.08Å; D853-K856 VanDerWaalsContact O-N 3.12Å; D853-K856 IonicContact OD1-NZ 3.91Å; N854-K856 VanDerWaalsContact C-N 3.27Å; N854-K856 PolarHBondContact O-N 3.39Å
857	L	45.5	Very low	48.6	Very low	126 Å²	126	84.8 Å²	84.8	66%	0.66	48%	0.484	S	S	*	.	H	α-helix	trans	-80.4	-22.8	-171.6	-75.3	163.3	0	0	0	113.6	D853 N854 V859	D853-L857 HydrophobicContact CB-CD1 4.44Å; D853-L857 VanDerWaalsContact O-CB 3.3Å; D853-L857 WeakPolarHBondContact O-CB 3.04Å; D853-L857 WeakPolarHBondContact O-CD1 3.14Å; D853-L857 WeakPolarHBondContact O-CG 3Å; D853-L857 PolarHBondContact O-N 2.02Å; N854-L857 PolarHBondContact O-N 2.77Å; L857-V859 VanDerWaalsContact C-N 3.32Å; L857-V859 PolarHBondContact O-N 3.15Å; L857-V859 VanDerWaalsContact O-N 3.12Å
858	N	45.5	Very low	47.1	Very low	92 Å²	92	90.2 Å²	90.2	49%	0.492	52%	0.516	S	S	.	.	S	Bend	trans	-84.4	34.1	-172	-81.9	-12.6	0	0	0	116.5	Y815 N854	Y815-N858 PolarHBondContact OH-ND2 2.82Å; N854-N858 WeakPolarHBondContact O-CB 3.36Å; N854-N858 PolarHBondContact O-N 2.06Å
859	V	44.6	Very low	45.4	Very low	49 Å²	49	97.7 Å²	97.7	30%	0.297	55%	0.55	S	S	.	*			trans	-146.1	85.7	158.1	-169.2	0	0	0	0	111.7	A677 I679 P785 L857	A677-V859 HydrophobicContact CB-CB 3.44Å; A677-V859 VanDerWaalsContact CB-CB 3.44Å; A677-V859 HydrophobicContact CB-CG1 4.34Å; A677-V859 HydrophobicContact CB-CG2 3.4Å; A677-V859 VanDerWaalsContact CB-CG2 3.4Å; I679-V859 HydrophobicContact CG2-CG2 4.05Å; P785-V859 HydrophobicContact CG-CG2 4.1Å; L857-V859 VanDerWaalsContact C-N 3.32Å; L857-V859 PolarHBondContact O-N 3.15Å; L857-V859 VanDerWaalsContact O-N 3.12Å
860	C	37.1	Very low	43.9	Very low	77 Å²	77	99 Å²	99	52%	0.52	56%	0.562	S	S	.	*	S	Bend		-122.4	125.6	129.6	-73.1	0	0	0	0	104.6	C674 A862	C674-C860 VanDerWaalsContact SG-SG 3.68Å; C860-A862 VanDerWaalsContact C-N 3.32Å; C860-A862 PolarHBondContact O-N 3.44Å
861	P	37.2	Very low	42.1	Very low	133 Å²	133	104.5 Å²	104.5	86%	0.864	58%	0.58	S	S	*	*	S	Bend	trans	-73.3	89	-170.9	30.5	-32.8	0	0	0	109.7
862	A	34.8	Very low	40.3	Very low	85 Å²	85	111.8 Å²	111.8	70%	0.702	62%	0.619	S	S	*	*			trans	-160.6	73.7	161.7	0	0	0	0	0	108.7	C860	C860-A862 VanDerWaalsContact C-N 3.32Å; C860-A862 PolarHBondContact O-N 3.44Å
863	E	33	Very low	39.3	Very low	194 Å²	194	116.6 Å²	116.6	91%	0.907	65%	0.65	S	S	*	*			trans	-172.7	66.6	153.8	-105.3	167.3	-142.2	0	0	109.6
864	S	30.9	Very low	38.3	Very low	110 Å²	110	119.5 Å²	119.5	77%	0.769	67%	0.674	S	S	*	*	S	Bend	trans	-148.1	117.4	145.8	52.4	0	0	0	0	109.2
865	Q	28.1	Very low	36.8	Very low	205 Å²	205	122 Å²	122	96%	0.958	70%	0.701	S	S	*	*	S	Bend	trans	107.2	107.2	169.6	-59.2	178.5	16.5	0	0	115.2
866	G	28.1	Very low	35.9	Very low	69 Å²	69	126.8 Å²	126.8	71%	0.711	73%	0.733	S	S	*	*			trans	140.2	78.8	160.8	0	0	0	0	0	113	V868	G866-V868 PolarHBondContact O-N 2.85Å
867	E	29.6	Very low	35	Very low	198 Å²	198	129 Å²	129	93%	0.925	75%	0.745	S	S	*	*			trans	-50.6	126.3	156.2	-70.3	174.9	146.8	0	0	109.2
868	V	27.5	Very low	34.9	Very low	126 Å²	126	129.2 Å²	129.2	76%	0.764	75%	0.747	S	S	*	*			trans	-119.5	102.5	158	179.7	0	0	0	0	106.8	G866 V870	G866-V868 PolarHBondContact O-N 2.85Å; V868-V870 PolarHBondContact O-N 3.21Å
869	E	26	Very low	34.8	Very low	164 Å²	164	130.5 Å²	130.5	77%	0.766	75%	0.753	S	S	*	*			trans	-50.9	117.3	161	-77.9	-173.5	142.4	0	0	109.3	K871	E869-K871 PolarHBondContact O-N 2.92Å; E869-K871 VanDerWaalsContact O-N 3.13Å
870	V	30.4	Very low	34.8	Very low	141 Å²	141	132.1 Å²	132.1	86%	0.855	76%	0.763	S	S	*	*			trans	-74.6	100.5	167.8	179.8	0	0	0	0	107.9	V868	V868-V870 PolarHBondContact O-N 3.21Å
871	K	27.9	Very low	35	Very low	183 Å²	183	135 Å²	135	80%	0.796	77%	0.769	S	S	*	*			trans	-96	104.7	163.7	-98.3	-176.7	179.9	166	0	111.1	E869	E869-K871 PolarHBondContact O-N 2.92Å; E869-K871 VanDerWaalsContact O-N 3.13Å
872	D	28.4	Very low	35.2	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	76%	0.758	S	S	*	*			trans	53.1	135.3	152.2	-130.4	19.2	0	0	0	121.1
873	P	42.6	Very low	35.6	Very low	107 Å²	107	137.8 Å²	137.8	70%	0.695	75%	0.754	S	S	*	*			trans	-97.8	115.3	-168.3	35.9	-25	0	0	0	112.2
874	C	42.3	Very low	36.3	Very low	137 Å²	137	134.3 Å²	134.3	93%	0.926	74%	0.738	S	S	*	*			trans	-162.4	84	156.1	-98.1	0	0	0	0	109.7
875	A	34.5	Very low	37	Very low	90 Å²	90	131.7 Å²	131.7	74%	0.744	72%	0.723	S	S	*	*			trans	-160.1	59.9	161.4	0	0	0	0	0	110.7	E877	A875-E877 VanDerWaalsContact C-N 3.28Å; A875-E877 PolarHBondContact O-N 2.66Å
876	C	42.9	Very low	37.8	Very low	107 Å²	107	124.6 Å²	124.6	72%	0.723	69%	0.694	S	S	*	*			trans	-92.2	53.6	166.7	-87.3	0	0	0	0	110.6
877	E	38.7	Very low	38.9	Very low	162 Å²	162	127 Å²	127	76%	0.757	69%	0.687	S	S	*	*			trans	-89.4	-21.6	174.1	-73.9	-175.2	155	0	0	112.5	A875 L879	A875-E877 VanDerWaalsContact C-N 3.28Å; A875-E877 PolarHBondContact O-N 2.66Å; E877-L879 PolarHBondContact O-N 3.45Å
878	N	43.4	Very low	39.9	Very low	132 Å²	132	122.5 Å²	122.5	71%	0.706	67%	0.67	S	S	*	*	H	α-helix	trans	-84.3	-10.3	-174.3	-65.2	-16.9	0	0	0	115.3
879	L	42.4	Very low	41	Very low	118 Å²	118	119.5 Å²	119.5	62%	0.618	66%	0.655	S	S	*	*	H	α-helix	trans	-84.4	-25.2	178.1	-105.2	147	0	0	0	112.9	E877 Q883	E877-L879 PolarHBondContact O-N 3.45Å; L879-Q883 PolarHBondContact O-N 3.04Å
880	V	45.3	Very low	42.1	Very low	83 Å²	83	116.6 Å²	116.6	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-75.7	-39.6	178.8	-179.3	0	0	0	0	110.8	F882 Q883 Q884	V880-F882 PolarHBondContact O-N 3.49Å; V880-Q883 PolarHBondContact O-N 2.93Å; V880-Q884 PolarHBondContact O-N 3.25Å
881	E	41.5	Very low	43	Very low	138 Å²	138	114.6 Å²	114.6	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-66	-37.3	177.1	-72.5	-168.6	152.6	0	0	112.5	Q884 A885	E881-Q884 PolarHBondContact O-N 2.02Å; E881-A885 VanDerWaalsContact O-CB 3.29Å; E881-A885 WeakPolarHBondContact O-CB 3.39Å; E881-A885 PolarHBondContact O-N 3.48Å
882	F	41.4	Very low	44.1	Very low	143 Å²	143	112.6 Å²	112.6	63%	0.627	62%	0.622	S	S	*	*	H	α-helix	trans	-66.2	-41.2	175.9	-173.7	-99.6	0	0	0	112.2	V880 T886	V880-F882 PolarHBondContact O-N 3.49Å; F882-T886 WeakPolarHBondContact O-CB 3.21Å; F882-T886 PolarHBondContact O-N 2.07Å; F882-T886 PolarHBondContact O-OG1 3.39Å
883	Q	43.1	Very low	44.9	Very low	133 Å²	133	112.6 Å²	112.6	62%	0.621	62%	0.615	S	S	*	*	H	α-helix	trans	-66.2	-40	175.9	-80.7	-169.6	-29.5	0	0	112.4	L879 V880 T886 M887	L879-Q883 PolarHBondContact O-N 3.04Å; V880-Q883 PolarHBondContact O-N 2.93Å; Q883-T886 PolarHBondContact O-N 3.06Å; Q883-M887 WeakPolarHBondContact O-CB 3.27Å; Q883-M887 VanDerWaalsContact O-CG 3.3Å; Q883-M887 WeakPolarHBondContact O-CG 3.35Å; Q883-M887 PolarHBondContact O-N 3.3Å
884	Q	48.3	Very low	45.3	Very low	122 Å²	122	111.3 Å²	111.3	57%	0.57	61%	0.605	S	S	*	*	H	α-helix	trans	-69.8	-37.1	177	-98.1	160.5	-22.3	0	0	113.1	V880 E881 T886 N888	V880-Q884 PolarHBondContact O-N 3.25Å; E881-Q884 PolarHBondContact O-N 2.02Å; Q884-T886 VanDerWaalsContact C-N 3.35Å; Q884-N888 WeakPolarHBondContact O-CB 3.48Å; Q884-N888 PolarHBondContact O-N 2.78Å; Q884-N888 VanDerWaalsContact O-N 3.11Å; Q884-N888 PolarHBondContact O-ND2 3.12Å
885	A	44.9	Very low	45.7	Very low	54 Å²	54	112.2 Å²	112.2	45%	0.446	60%	0.596	S	S	.	*	H	α-helix	trans	-66.9	-36.2	174.8	0	0	0	0	0	112.4	E881 S889	E881-A885 VanDerWaalsContact O-CB 3.29Å; E881-A885 WeakPolarHBondContact O-CB 3.39Å; E881-A885 PolarHBondContact O-N 3.48Å; A885-S889 WeakPolarHBondContact O-CB 3.4Å; A885-S889 PolarHBondContact O-N 3.09Å; A885-S889 VanDerWaalsContact O-N 3.14Å; A885-S889 PolarHBondContact O-OG 3.49Å
886	T	44.7	Very low	46.3	Very low	57 Å²	57	116.5 Å²	116.5	35%	0.35	60%	0.598	S	S	.	*	H	α-helix	trans	-73.5	-40.3	179.7	-49	0	0	0	0	111.5	F882 Q883 Q884 S889 L890	F882-T886 WeakPolarHBondContact O-CB 3.21Å; F882-T886 PolarHBondContact O-N 2.07Å; F882-T886 PolarHBondContact O-OG1 3.39Å; Q883-T886 PolarHBondContact O-N 3.06Å; Q884-T886 VanDerWaalsContact C-N 3.35Å; T886-S889 PolarHBondContact O-N 3.43Å; T886-L890 HydrophobicContact CG2-CD1 4.22Å; T886-L890 PolarHBondContact O-N 3.04Å
887	M	51.9	Low	46.6	Very low	118 Å²	118	118.8 Å²	118.8	58%	0.581	60%	0.597	S	S	*	*	H	α-helix	trans	-65.2	-42.1	175.6	-72.7	-68.6	-67	0	0	112.4	Q883 S889 L890 D891	Q883-M887 WeakPolarHBondContact O-CB 3.27Å; Q883-M887 VanDerWaalsContact O-CG 3.3Å; Q883-M887 WeakPolarHBondContact O-CG 3.35Å; Q883-M887 PolarHBondContact O-N 3.3Å; M887-S889 VanDerWaalsContact C-N 3.29Å; M887-S889 PolarHBondContact O-N 3.38Å; M887-L890 PolarHBondContact O-N 3.33Å; M887-D891 PolarHBondContact O-N 3.42Å
888	N	51	Low	47.1	Very low	104 Å²	104	117.8 Å²	117.8	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-66.2	-30.7	176.1	-75.3	-21.8	0	0	0	112.8	Q884 Q892	Q884-N888 WeakPolarHBondContact O-CB 3.48Å; Q884-N888 PolarHBondContact O-N 2.78Å; Q884-N888 VanDerWaalsContact O-N 3.11Å; Q884-N888 PolarHBondContact O-ND2 3.12Å; N888-Q892 PolarHBondContact O-N 3.25Å
889	S	49.4	Very low	47.2	Very low	64 Å²	64	119.4 Å²	119.4	45%	0.448	60%	0.604	S	S	.	*	H	α-helix	trans	-74.4	-34.3	175	-60.2	0	0	0	0	112.2	A885 T886 M887 Q892 F893	A885-S889 WeakPolarHBondContact O-CB 3.4Å; A885-S889 PolarHBondContact O-N 3.09Å; A885-S889 VanDerWaalsContact O-N 3.14Å; A885-S889 PolarHBondContact O-OG 3.49Å; T886-S889 PolarHBondContact O-N 3.43Å; M887-S889 VanDerWaalsContact C-N 3.29Å; M887-S889 PolarHBondContact O-N 3.38Å; S889-Q892 PolarHBondContact O-N 3.3Å; S889-F893 PolarHBondContact O-N 2.89Å
890	L	48.5	Very low	47.6	Very low	103 Å²	103	118.2 Å²	118.2	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-69.2	-36.9	174.2	-91	149.3	0	0	0	112.7	T886 M887 F893 T894	T886-L890 HydrophobicContact CG2-CD1 4.22Å; T886-L890 PolarHBondContact O-N 3.04Å; M887-L890 PolarHBondContact O-N 3.33Å; L890-F893 PolarHBondContact O-N 3.06Å; L890-T894 PolarHBondContact O-N 2.97Å; L890-T894 PolarHBondContact O-OG1 3.22Å
891	D	50.8	Low	47.2	Very low	98 Å²	98	127.3 Å²	127.3	52%	0.524	64%	0.638	S	S	.	*	H	α-helix	trans	-69.6	-29.7	174.5	-82.5	-20.3	0	0	0	113.2	M887 T894 Q895	M887-D891 PolarHBondContact O-N 3.42Å; D891-T894 WeakPolarHBondContact CA-OG1 3.46Å; D891-T894 PolarHBondContact O-OG1 2.92Å; D891-T894 VanDerWaalsContact O-OG1 3.11Å; D891-Q895 PolarHBondContact O-N 3.39Å
892	Q	50.4	Low	47.5	Very low	141 Å²	141	126.8 Å²	126.8	66%	0.659	64%	0.638	S	S	*	*	H	α-helix	trans	-72.9	-28.2	172	-79.2	-173.9	-10.1	0	0	113.2	N888 S889 K896	N888-Q892 PolarHBondContact O-N 3.25Å; S889-Q892 PolarHBondContact O-N 3.3Å; Q892-K896 PolarHBondContact O-N 3.15Å
893	F	45.6	Very low	47.8	Very low	153 Å²	153	125.9 Å²	125.9	67%	0.671	64%	0.638	S	S	*	*	H	α-helix	trans	-76.5	-34	176	-100.7	-84.6	0	0	0	112.8	S889 L890	S889-F893 PolarHBondContact O-N 2.89Å; L890-F893 PolarHBondContact O-N 3.06Å
894	T	49.6	Very low	48.1	Very low	81 Å²	81	125.6 Å²	125.6	50%	0.497	64%	0.639	S	S	.	*	H	α-helix	trans	-74.5	-29.6	176.1	45.1	0	0	0	0	113.1	L890 D891	L890-T894 PolarHBondContact O-N 2.97Å; L890-T894 PolarHBondContact O-OG1 3.22Å; D891-T894 WeakPolarHBondContact CA-OG1 3.46Å; D891-T894 PolarHBondContact O-OG1 2.92Å; D891-T894 VanDerWaalsContact O-OG1 3.11Å
895	Q	51.8	Low	48	Very low	155 Å²	155	125.8 Å²	125.8	72%	0.724	64%	0.643	S	S	*	*	H	α-helix	trans	-74.5	-26	173.2	-87.5	-173.6	-9.6	0	0	114.5	D891	D891-Q895 PolarHBondContact O-N 3.39Å
896	K	47.7	Very low	48.2	Very low	181 Å²	181	130.3 Å²	130.3	79%	0.787	66%	0.655	S	S	*	*	H	α-helix	trans	-81.1	-14.6	179.8	-107.2	179.3	178.6	175.7	0	114.7	Q892	Q892-K896 PolarHBondContact O-N 3.15Å
897	H	47.9	Very low	48.5	Very low	155 Å²	155	135.1 Å²	135.1	72%	0.718	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	2.8	-180	-101	-52.2	0	0	0	115.7
898	I	48.9	Very low	48.2	Very low	140 Å²	140	136.4 Å²	136.4	72%	0.718	68%	0.682	S	S	*	*	S	Bend	trans	-99.1	-4.5	177.9	-65.2	175.2	0	0	0	113.2
899	L	45.7	Very low	48	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	69%	0.692	S	S	*	*	S	Bend	trans	-112.1	22.1	178	-79.5	166.6	0	0	0	114.8
900	S	50.4	Low	47.9	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	71%	0.713	S	S	*	*			trans	-147.1	48.8	177.2	171.3	0	0	0	0	112.4
901	K	37.4	Very low	47.9	Very low	275 Å²	275	148.9 Å²	148.9	100%	1.196	73%	0.728	S	S	*	*			trans	160.9	0	140.7	-93.1	178.7	179.1	-180	0	111.3

Retrieved 901 of 901 residues in 1854 ms (Link to these results)

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