A0A077Z271_TRITR Loading...

Angiogenesis inhibito

AlphaFold DB , UniProt , Accession A0A077Z271, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,255 aa.

						>A0A077Z271_TRITR|A0A077Z271
MSRCLFNFVSSWCFVVVLLPGGIMLHNSILGPFAESDFAGFDSDVVEELFFNPNSYSNNGSVFHFRAFNETFKLRLWPQTDLVGIGAAMVTRDAHSQNGTFRRLPFRHCHFHGYVLSHQNANVALSMCGFIRGIIALDDHFLIINPQYENSVQPPSADSKGTHKHLIFKRSLPSKPALDEDTLQHVEETVFHEIQPEVFCDVEASPGQLPLPFQSDFARRGLPDILTLELAVFTDDKLWQVFKSIYASKAEEQLQDYAISLINNVGKLTVSTANYSTKAKNSVVLICILCCFEEALKSTVHKHGEAQLFLDAFCRFQSKLSAKGMRWDHATLLTGYDIYHSTASVAGVAPVARMCDPQFSCSLIEGNHLGRSFVMAHEMGHNLGMLHDGIQNQCSQTCCLMSSVNGAGRTAWSPCSTRELQSFLLAISRPESSIRNCLSPVETPRGSAVPGKNLPLPGQRYTADEQCEFFWGKGYGHEIPEGKSRADICYVLWCSNGGMTISSAHPALEGTWCGGSNWCKNGKCVPWPIDQVPVAVDGQWNAWSSLKHSYCSDCVVKGALRLRKEVRMCSSPPPNNGGKSCAGSAVRGLVCRGESDCDNMSKREFANRICLSIRDDPVKPDKELTGKSFQHPTSPCKIWCYLKDTLLIRSKGRYPDGTPCGPKRYCVAGVCLRNLCGGEAVVSIQSECPMSLNANDQLDKWSSWSSWTACSSTCGAGYRSRLRSCLSQSCSGSAQEEIPCQGEKCPSTWSDWSAWSLCSLSCGGGLRLRSRKCPSEGDCSGKAIEFEQCATDKCNDAWGAWSSWSDCSVTCGTGYKKRSRECNGLPSSQCEGFAEELMICENRTCQQLWSEWSSCNAQCGGGIGSRTRRVLCPSGSIDCHDSNETEVESCENNALCGQWASWGEWSACSSTCGQGTQKRSRMCSGEEGDSTSNCLGDSAEVRSCSVTACDETTNSWTEWTSCSATCGEGIKSRRKQCGSQSNCVAYVEKAPCNLGECKLLQSSFLSDWQSWSDCSASCGIGHRQRIRDCLSNDKAYCPPEELVEVQSCHVTPCLSESVWSEWSQWTTCSADCGGGRQSRRRSCIQNSLSKASCNGFSIEEQSCNASPCNTVERDSVRGEFIIFLERRFTPPTWSSWSSWSRCSCHTSSHIRVRMCIVSDVQTAGFCLGPSVEEASCLAETCDPVDGGWALWSEWSSCTASCGGKKLRFRLCSDPLPANSGNHCAGEAVSIENCFSQCKKGNSRPALVMVTFFDLL
					

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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	25.7	Very low	23.6	Very low	223 Å²	223	146.9 Å²	146.9	100%	1.099	79%	0.787	S	S	*	*				0	58.9	0	-154.5	175.1	178.3	0	0	110.3	R3	M1-R3 PolarHBondContact O-N 3.28Å
2	S	21.4	Very low	24	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	76%	0.755	S	S	*	*			trans	-90.5	23	-170	48.2	0	0	0	0	115.4
3	R	24.1	Very low	24.1	Very low	183 Å²	183	140.4 Å²	140.4	69%	0.691	75%	0.75	S	S	*	*			trans	-136.6	25.1	-167.9	-70	-167.1	178.8	-174.1	1.2	117.6	M1 L5	M1-R3 PolarHBondContact O-N 3.28Å; R3-L5 PolarHBondContact O-N 3.24Å; R3-L5 VanDerWaalsContact O-N 3.09Å
4	C	23.5	Very low	24.4	Very low	131 Å²	131	135.1 Å²	135.1	89%	0.885	72%	0.717	S	S	*	*			trans	-83.7	72.2	159	-76.5	0	0	0	0	109.7
5	L	22.6	Very low	24.9	Very low	130 Å²	130	130 Å²	130	68%	0.681	69%	0.693	S	S	*	*			trans	-92.9	127.1	165.9	-91.9	161.1	0	0	0	108.2	R3	R3-L5 PolarHBondContact O-N 3.24Å; R3-L5 VanDerWaalsContact O-N 3.09Å
6	F	23	Very low	25.3	Very low	169 Å²	169	124.9 Å²	124.9	74%	0.741	67%	0.669	S	S	*	*			trans	75.2	138.2	149	-81.4	-95.9	0	0	0	121.6
7	N	22.5	Very low	25.7	Very low	131 Å²	131	121.2 Å²	121.2	70%	0.701	65%	0.651	S	S	*	*			trans	74.5	89.1	151.4	-61.7	-27.4	0	0	0	117.6
8	F	24.1	Very low	26	Very low	207 Å²	207	119.4 Å²	119.4	91%	0.908	64%	0.641	S	S	*	*				177.2	144.8	106.4	-103.7	-86.5	0	0	0	109.6	S10	F8-S10 PolarHBondContact O-N 2.95Å
9	V	23.5	Very low	26.3	Very low	146 Å²	146	116.2 Å²	116.2	89%	0.885	62%	0.623	S	S	*	*			trans	-69.1	104.1	179.7	176.4	0	0	0	0	109.9
10	S	25.3	Very low	26.7	Very low	82 Å²	82	117.5 Å²	117.5	57%	0.573	64%	0.638	S	S	*	*			trans	-167.8	148.5	151.7	80.5	0	0	0	0	113	F8 W12	F8-S10 PolarHBondContact O-N 2.95Å; S10-W12 VanDerWaalsContact C-N 3.27Å; S10-W12 PolarHBondContact O-N 2.82Å
11	S	23.4	Very low	27.2	Very low	102 Å²	102	113.7 Å²	113.7	71%	0.713	63%	0.626	S	S	*	*	S	Bend	trans	-72.8	23.8	-165.2	-32	0	0	0	0	117.5
12	W	28.5	Very low	27.6	Very low	107 Å²	107	103.2 Å²	103.2	41%	0.405	58%	0.575	S	S	.	*			trans	-134	71	-157.7	-53	87.5	0	0	0	112.5	S10 F33	S10-W12 VanDerWaalsContact C-N 3.27Å; S10-W12 PolarHBondContact O-N 2.82Å; W12-F33 HydrophobicContact CB-CE1 4Å
13	C	25.3	Very low	28.3	Very low	102 Å²	102	98 Å²	98	69%	0.689	54%	0.538	S	S	*	.			trans	-91.4	116.4	175.3	-105.4	0	0	0	0	111.7	V15	C13-V15 PolarHBondContact O-N 3.43Å
14	F	28.8	Very low	29	Very low	66 Å²	66	92.7 Å²	92.7	29%	0.289	52%	0.523	S	S	.	.			trans	-61.7	125	158.9	-94.2	-87.8	0	0	0	109.9	V16 L25 F33 I143	F14-V16 HydrophobicContact CB-CG2 4.18Å; F14-V16 HydrophobicContact CD1-CG2 4.41Å; F14-V16 PolarHBondContact O-N 3.36Å; F14-L25 HydrophobicContact CD1-CD2 4.19Å; F14-L25 HydrophobicContact CE1-CD2 4.21Å; F14-F33 HydrophobicContact CD2-CE1 4.03Å; F14-F33 HydrophobicContact CD2-CE2 4.12Å; F14-F33 AromaticContact CD2-CZ 3.46Å; F14-F33 HydrophobicContact CD2-CZ 3.46Å; F14-F33 VanDerWaalsContact CD2-CZ 3.46Å; F14-F33 HydrophobicContact CE2-CD2 4.11Å; F14-F33 AromaticContact CE2-CE1 3.76Å; F14-F33 HydrophobicContact CE2-CE1 3.76Å; F14-F33 AromaticContact CE2-CE2 3.23Å; F14-F33 HydrophobicContact CE2-CE2 3.23Å; F14-F33 AromaticContact CE2-CZ 3.03Å; F14-F33 HydrophobicContact CE2-CZ 3.03Å; F14-F33 HydrophobicContact CG-CZ 4.46Å; F14-F33 HydrophobicContact CZ-CD2 4.4Å; F14-F33 AromaticContact CZ-CE2 3.5Å; F14-F33 HydrophobicContact CZ-CE2 3.5Å; F14-F33 VanDerWaalsContact CZ-CE2 3.5Å; F14-F33 AromaticContact CZ-CZ 3.74Å; F14-F33 HydrophobicContact CZ-CZ 3.74Å; F14-I143 HydrophobicContact CZ-CG2 4.17Å
15	V	31.3	Very low	29.5	Very low	59 Å²	59	87.8 Å²	87.8	36%	0.358	49%	0.487	S	S	.	.			trans	-91.5	92.7	165.7	-176.5	0	0	0	0	107.7	C13 V17 I29	C13-V15 PolarHBondContact O-N 3.43Å; V15-V17 HydrophobicContact CG1-CG2 4.04Å; V15-I29 HydrophobicContact CG2-CD1 4.38Å
16	V	32	Very low	30.1	Very low	49 Å²	49	86.7 Å²	86.7	30%	0.297	48%	0.479	S	S	.	.			trans	-96.9	109.9	172.3	176.9	0	0	0	0	107.5	F14 L18 I23 I134	F14-V16 HydrophobicContact CB-CG2 4.18Å; F14-V16 HydrophobicContact CD1-CG2 4.41Å; F14-V16 PolarHBondContact O-N 3.36Å; V16-L18 HydrophobicContact CG1-CD2 4.23Å; V16-L18 HydrophobicContact CG1-CG 4.33Å; V16-I23 HydrophobicContact CG1-CG2 3.48Å; V16-I23 VanDerWaalsContact CG1-CG2 3.48Å; V16-I134 HydrophobicContact CG1-CD1 3.95Å; V16-I134 HydrophobicContact CG1-CG2 4.22Å; V16-I134 HydrophobicContact CG2-CD1 3.93Å
17	V	31.8	Very low	30.7	Very low	62 Å²	62	83.6 Å²	83.6	38%	0.376	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	108.9	174.9	-173.7	0	0	0	0	108.1	V15 L19 I23 M24	V15-V17 HydrophobicContact CG1-CG2 4.04Å; V17-L19 HydrophobicContact CG1-CD2 3.86Å; V17-L19 HydrophobicContact CG1-CG 4.12Å; V17-I23 WeakPolarHBondContact O-CA 3.33Å; V17-M24 PolarHBondContact O-N 2.78Å
18	L	30.8	Very low	31.3	Very low	89 Å²	89	81.6 Å²	81.6	47%	0.466	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	112	173	-64.4	170.3	0	0	0	108.5	V16 I23 A136 F141	V16-L18 HydrophobicContact CG1-CD2 4.23Å; V16-L18 HydrophobicContact CG1-CG 4.33Å; L18-I23 HydrophobicContact CD2-CD1 3.87Å; L18-I23 HydrophobicContact CD2-CG1 3.85Å; L18-I23 HydrophobicContact CD2-CG2 4.32Å; L18-A136 HydrophobicContact CD2-CB 4.12Å; L18-F141 HydrophobicContact CD1-CE1 4.26Å; L18-F141 HydrophobicContact CD1-CZ 4.26Å; L18-F141 HydrophobicContact CD2-CE1 4.2Å
19	L	32.8	Very low	31.8	Very low	58 Å²	58	75.7 Å²	75.7	30%	0.304	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	157.7	175.8	-58	167	0	0	0	109.4	V17 G21 G22	V17-L19 HydrophobicContact CG1-CD2 3.86Å; V17-L19 HydrophobicContact CG1-CG 4.12Å; L19-G21 PolarHBondContact O-N 2.86Å; L19-G22 WeakPolarHBondContact CA-O 3.5Å; L19-G22 VanDerWaalsContact CB-O 3.29Å; L19-G22 WeakPolarHBondContact CB-O 3.05Å; L19-G22 PolarHBondContact N-O 3.2Å; L19-G22 PolarHBondContact O-N 3.43Å
20	P	34.4	Very low	32.5	Very low	142 Å²	142	72.3 Å²	72.3	92%	0.922	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.4	170.6	-22.5	32.3	0	0	0	113.5
21	G	35.8	Very low	33	Very low	37 Å²	37	69.7 Å²	69.7	38%	0.381	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	9	-178.5	0	0	0	0	0	115.9	L19 Y114	L19-G21 PolarHBondContact O-N 2.86Å; G21-Y114 PolarHBondContact O-OH 2.89Å
22	G	34.3	Very low	33.9	Very low	3 Å²	3	69.1 Å²	69.1	3%	0.031	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156	179.9	-178.2	0	0	0	0	0	115	L19	L19-G22 WeakPolarHBondContact CA-O 3.5Å; L19-G22 VanDerWaalsContact CB-O 3.29Å; L19-G22 WeakPolarHBondContact CB-O 3.05Å; L19-G22 PolarHBondContact N-O 3.2Å; L19-G22 PolarHBondContact O-N 3.43Å
23	I	36.1	Very low	34.5	Very low	2 Å²	2	65.6 Å²	65.6	1%	0.01	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	156.9	172.4	-43.9	179.5	0	0	0	108.6	V16 V17 L18 N122 A124 I134 A136	V16-I23 HydrophobicContact CG1-CG2 3.48Å; V16-I23 VanDerWaalsContact CG1-CG2 3.48Å; V17-I23 WeakPolarHBondContact O-CA 3.33Å; L18-I23 HydrophobicContact CD2-CD1 3.87Å; L18-I23 HydrophobicContact CD2-CG1 3.85Å; L18-I23 HydrophobicContact CD2-CG2 4.32Å; I23-N122 HydrophobicContact CD1-CB 4.12Å; I23-N122 VanDerWaalsContact CD1-O 3.26Å; I23-N122 WeakPolarHBondContact CD1-O 2.93Å; I23-N122 HydrophobicContact CG1-CB 3.67Å; I23-A124 HydrophobicContact CB-CB 3.69Å; I23-A124 HydrophobicContact CG2-CB 4.19Å; I23-A124 WeakPolarHBondContact O-CB 3.01Å; I23-I134 HydrophobicContact CB-CG2 4.18Å; I23-I134 HydrophobicContact CD1-CG2 3.93Å; I23-I134 HydrophobicContact CG2-CG2 3.45Å; I23-I134 VanDerWaalsContact CG2-CG2 3.45Å; I23-A136 HydrophobicContact CD1-CB 3.39Å
24	M	38.6	Very low	35.6	Very low	73 Å²	73	63 Å²	63	36%	0.36	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.2	171.3	-81.9	-163.4	80.1	0	0	112.4	V17	V17-M24 PolarHBondContact O-N 2.78Å
25	L	34.2	Very low	36.5	Very low	28 Å²	28	66.7 Å²	66.7	15%	0.147	39%	0.391	C	S	.	.			trans	-122.9	132.3	172.5	-78.7	165.2	0	0	0	110.2	F14	F14-L25 HydrophobicContact CD1-CD2 4.19Å; F14-L25 HydrophobicContact CE1-CD2 4.21Å
26	H	36.4	Very low	37.3	Very low	107 Å²	107	67.9 Å²	67.9	50%	0.495	40%	0.402	S	S	.	.			trans	-104.7	144.3	179.2	-165	-96.9	0	0	0	111.7	S28	H26-S28 PolarHBondContact CE1-OG 2.03Å; H26-S28 PolarHBondContact ND1-OG 2.88Å; H26-S28 PolarHBondContact O-N 3.35Å
27	N	35.5	Very low	37.8	Very low	104 Å²	104	69 Å²	69	56%	0.556	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-75.1	-13.1	-169.8	-96.9	-15.9	0	0	0	116.1	I29 H110	N27-I29 PolarHBondContact O-N 3.04Å; N27-H110 PolarHBondContact ND2-NE2 3.43Å; N27-H110 PolarHBondContact OD1-CE1 3.16Å
28	S	33.4	Very low	38.5	Very low	88 Å²	88	67.2 Å²	67.2	62%	0.615	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-80.7	-2	-160.2	-46.6	0	0	0	0	118.1	H26	H26-S28 PolarHBondContact CE1-OG 2.03Å; H26-S28 PolarHBondContact ND1-OG 2.88Å; H26-S28 PolarHBondContact O-N 3.35Å
29	I	34.7	Very low	39.3	Very low	84 Å²	84	67.2 Å²	67.2	43%	0.431	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-135.1	6.4	-166.5	-49.1	-179.9	0	0	0	114.1	V15 N27 G31	V15-I29 HydrophobicContact CG2-CD1 4.38Å; N27-I29 PolarHBondContact O-N 3.04Å; I29-G31 PolarHBondContact O-N 3.31Å
30	L	39.4	Very low	40.3	Very low	75 Å²	75	68.4 Å²	68.4	39%	0.393	43%	0.433	S	S	.	.			trans	-89.7	74.2	-164.7	-62.4	169.2	0	0	0	113.8
31	G	36.3	Very low	41.1	Very low	27 Å²	27	65.1 Å²	65.1	28%	0.278	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-81	166.4	155.6	0	0	0	0	0	111.4	I29	I29-G31 PolarHBondContact O-N 3.31Å
32	P	41.2	Very low	42.4	Very low	89 Å²	89	68.9 Å²	68.9	58%	0.578	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-66.1	131.9	-179.1	26.7	-32.7	0	0	0	111.7	Y148	P32-Y148 HydrophobicContact CB-CD2 4.34Å; P32-Y148 HydrophobicContact CB-CE2 4.19Å
33	F	41.7	Very low	43.9	Very low	33 Å²	33	71.9 Å²	71.9	15%	0.145	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-78.5	140.5	170.1	-63.9	-83.9	0	0	0	110.1	W12 F14 F38	W12-F33 HydrophobicContact CB-CE1 4Å; F14-F33 HydrophobicContact CD2-CE1 4.03Å; F14-F33 HydrophobicContact CD2-CE2 4.12Å; F14-F33 AromaticContact CD2-CZ 3.46Å; F14-F33 HydrophobicContact CD2-CZ 3.46Å; F14-F33 VanDerWaalsContact CD2-CZ 3.46Å; F14-F33 HydrophobicContact CE2-CD2 4.11Å; F14-F33 AromaticContact CE2-CE1 3.76Å; F14-F33 HydrophobicContact CE2-CE1 3.76Å; F14-F33 AromaticContact CE2-CE2 3.23Å; F14-F33 HydrophobicContact CE2-CE2 3.23Å; F14-F33 AromaticContact CE2-CZ 3.03Å; F14-F33 HydrophobicContact CE2-CZ 3.03Å; F14-F33 HydrophobicContact CG-CZ 4.46Å; F14-F33 HydrophobicContact CZ-CD2 4.4Å; F14-F33 AromaticContact CZ-CE2 3.5Å; F14-F33 HydrophobicContact CZ-CE2 3.5Å; F14-F33 VanDerWaalsContact CZ-CE2 3.5Å; F14-F33 AromaticContact CZ-CZ 3.74Å; F14-F33 HydrophobicContact CZ-CZ 3.74Å; F33-F38 HydrophobicContact CB-CE2 3.77Å; F33-F38 HydrophobicContact CB-CZ 4.44Å; F33-F38 HydrophobicContact CD1-CE2 4.5Å; F33-F38 HydrophobicContact CD1-CZ 4.48Å; F33-F38 HydrophobicContact CG-CE2 4.12Å; F33-F38 HydrophobicContact CG-CZ 4.31Å
34	A	47.5	Very low	45.5	Very low	49 Å²	49	74.2 Å²	74.2	41%	0.405	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-80.6	148.1	170.6	0	0	0	0	0	109.5	S36 D37	A34-S36 WeakPolarHBondContact CB-OG 3.38Å; A34-S36 PolarHBondContact O-N 2.84Å; A34-D37 PolarHBondContact N-OD2 2.86Å; A34-D37 WeakPolarHBondContact O-CB 3.21Å; A34-D37 PolarHBondContact O-N 3.3Å
35	E	48.8	Very low	46.9	Very low	142 Å²	142	73.8 Å²	73.8	66%	0.664	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-56	-26.3	175.6	-157.8	171.8	-155.7	0	0	111.9	D37 F38	E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 3.24Å; E35-F38 PolarHBondContact O-N 3.47Å
36	S	48.4	Very low	48.2	Very low	85 Å²	85	73.1 Å²	73.1	59%	0.594	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-62.6	-27.5	173.6	56.2	0	0	0	0	114.7	A34 F38 A39	A34-S36 WeakPolarHBondContact CB-OG 3.38Å; A34-S36 PolarHBondContact O-N 2.84Å; S36-F38 PolarHBondContact O-N 2.77Å; S36-A39 PolarHBondContact O-N 2.68Å
37	D	42	Very low	49.2	Very low	72 Å²	72	73 Å²	73	39%	0.385	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-69.2	-16.2	-178.2	-62.7	-33.1	0	0	0	112.1	A34 E35	A34-D37 PolarHBondContact N-OD2 2.86Å; A34-D37 WeakPolarHBondContact O-CB 3.21Å; A34-D37 PolarHBondContact O-N 3.3Å; E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 3.24Å
38	F	46.5	Very low	50.2	Low	25 Å²	25	75.2 Å²	75.2	11%	0.11	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-111.5	21	179.9	-59.5	-80.4	0	0	0	113.4	F33 E35 S36 G40 F41 F168	F33-F38 HydrophobicContact CB-CE2 3.77Å; F33-F38 HydrophobicContact CB-CZ 4.44Å; F33-F38 HydrophobicContact CD1-CE2 4.5Å; F33-F38 HydrophobicContact CD1-CZ 4.48Å; F33-F38 HydrophobicContact CG-CE2 4.12Å; F33-F38 HydrophobicContact CG-CZ 4.31Å; E35-F38 PolarHBondContact O-N 3.47Å; S36-F38 PolarHBondContact O-N 2.77Å; F38-G40 PolarHBondContact O-N 2.76Å; F38-F41 HydrophobicContact CB-CD2 3.88Å; F38-F41 AromaticContact CD1-CD2 3.96Å; F38-F41 HydrophobicContact CD1-CD2 3.96Å; F38-F41 HydrophobicContact CD1-CE2 4.24Å; F38-F41 HydrophobicContact CG-CD2 4.43Å; F38-F41 WeakPolarHBondContact O-CD2 3.47Å; F38-F41 PolarHBondContact O-N 3.43Å; F38-F41 VanDerWaalsContact O-N 3.15Å; F38-F168 HydrophobicContact CB-CD1 3.65Å; F38-F168 HydrophobicContact CB-CE1 3.45Å; F38-F168 VanDerWaalsContact CB-CE1 3.45Å; F38-F168 HydrophobicContact CB-CG 4.28Å; F38-F168 HydrophobicContact CB-CZ 3.93Å; F38-F168 HydrophobicContact CD1-CB 4.33Å; F38-F168 HydrophobicContact CD1-CD1 4.13Å; F38-F168 AromaticContact CD1-CD2 4Å; F38-F168 HydrophobicContact CD1-CD2 4Å; F38-F168 HydrophobicContact CD1-CE1 4.46Å; F38-F168 HydrophobicContact CD1-CE2 4.33Å; F38-F168 AromaticContact CD1-CG 3.88Å; F38-F168 HydrophobicContact CD1-CG 3.88Å; F38-F168 HydrophobicContact CD2-CD1 4.49Å; F38-F168 HydrophobicContact CD2-CD2 4.16Å; F38-F168 HydrophobicContact CD2-CE1 4.04Å; F38-F168 AromaticContact CD2-CE2 3.65Å; F38-F168 HydrophobicContact CD2-CE2 3.65Å; F38-F168 AromaticContact CD2-CZ 3.58Å; F38-F168 HydrophobicContact CD2-CZ 3.58Å; F38-F168 HydrophobicContact CE1-CD2 4.1Å; F38-F168 HydrophobicContact CE1-CE2 4.49Å; F38-F168 HydrophobicContact CE1-CG 4.36Å; F38-F168 HydrophobicContact CE2-CD2 4.25Å; F38-F168 AromaticContact CE2-CE2 3.83Å; F38-F168 HydrophobicContact CE2-CE2 3.83Å; F38-F168 HydrophobicContact CE2-CZ 4.22Å; F38-F168 AromaticContact CG-CD1 3.85Å; F38-F168 HydrophobicContact CG-CD1 3.85Å; F38-F168 HydrophobicContact CG-CD2 4.02Å; F38-F168 AromaticContact CG-CE1 3.74Å; F38-F168 HydrophobicContact CG-CE1 3.74Å; F38-F168 AromaticContact CG-CE2 3.92Å; F38-F168 HydrophobicContact CG-CE2 3.92Å; F38-F168 AromaticContact CG-CG 3.98Å; F38-F168 HydrophobicContact CG-CG 3.98Å; F38-F168 AromaticContact CG-CZ 3.77Å; F38-F168 HydrophobicContact CG-CZ 3.77Å; F38-F168 HydrophobicContact CZ-CD2 4.23Å; F38-F168 HydrophobicContact CZ-CE2 4.25Å
39	A	46.5	Very low	51.5	Low	88 Å²	88	71.4 Å²	71.4	73%	0.727	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	114.6	174	0	0	0	0	0	110.9	S36	S36-A39 PolarHBondContact O-N 2.68Å
40	G	53.7	Low	52.6	Low	84 Å²	84	73.5 Å²	73.5	87%	0.866	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	0.6	178.6	0	0	0	0	0	116.1	F38	F38-G40 PolarHBondContact O-N 2.76Å
41	F	52.5	Low	53.4	Low	72 Å²	72	71.3 Å²	71.3	32%	0.316	42%	0.42	S	S	.	.	S	Bend	trans	-91.1	146.5	167.9	-62.6	-77.4	0	0	0	110.8	F38 S43 F168 R170	F38-F41 HydrophobicContact CB-CD2 3.88Å; F38-F41 AromaticContact CD1-CD2 3.96Å; F38-F41 HydrophobicContact CD1-CD2 3.96Å; F38-F41 HydrophobicContact CD1-CE2 4.24Å; F38-F41 HydrophobicContact CG-CD2 4.43Å; F38-F41 WeakPolarHBondContact O-CD2 3.47Å; F38-F41 PolarHBondContact O-N 3.43Å; F38-F41 VanDerWaalsContact O-N 3.15Å; F41-S43 PolarHBondContact O-N 2.77Å; F41-F168 HydrophobicContact CB-CB 4.5Å; F41-F168 HydrophobicContact CB-CD1 4.39Å; F41-R170 HydrophobicContact CD1-CB 3.74Å; F41-R170 HydrophobicContact CD1-CG 4.13Å; F41-R170 HydrophobicContact CE1-CB 3.66Å; F41-R170 HydrophobicContact CE1-CG 3.55Å
42	D	63.7	Low	54.2	Low	117 Å²	117	74.5 Å²	74.5	63%	0.626	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.5	165.2	-95.8	-24.4	0	0	0	108.3	F68 K169	D42-F68 HydrophobicContact CB-CE1 4.03Å; D42-K169 HydrophobicContact CB-CB 4.2Å; D42-K169 PolarHBondContact O-N 3.14Å
43	S	64.5	Low	54.6	Low	65 Å²	65	73.4 Å²	73.4	46%	0.455	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.6	179.3	62.5	0	0	0	0	110.7	F41 I167	F41-S43 PolarHBondContact O-N 2.77Å; S43-I167 CarbonylContact C-O 3.52Å; S43-I167 WeakPolarHBondContact CA-O 3.09Å
44	D	70.5	Confident	54.9	Low	52 Å²	52	78.6 Å²	78.6	28%	0.278	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.2	168.4	-166.2	13.5	0	0	0	109.8	A67 F68 I167	D44-A67 VanDerWaalsContact OD2-CA 3.31Å; D44-A67 WeakPolarHBondContact OD2-CA 3.21Å; D44-F68 HydrophobicContact CB-CD1 3.88Å; D44-F68 HydrophobicContact CB-CD2 4.12Å; D44-F68 HydrophobicContact CB-CE1 3.66Å; D44-F68 HydrophobicContact CB-CE2 3.91Å; D44-F68 HydrophobicContact CB-CG 4.11Å; D44-F68 HydrophobicContact CB-CZ 3.69Å; D44-F68 PolarHBondContact OD2-N 3.22Å; D44-I167 PolarHBondContact N-O 3.26Å; D44-I167 PolarHBondContact O-N 2.06Å
45	V	66.7	Low	55	Low	64 Å²	64	79.5 Å²	79.5	39%	0.388	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.1	-178.9	-178.6	0	0	0	0	108.2	K164 L166	V45-K164 HydrophobicContact CG1-CB 4.33Å; V45-K164 HydrophobicContact CG1-CD 4.35Å; V45-L166 HydrophobicContact CG2-CD2 3.84Å; V45-L166 HydrophobicContact CG2-CG 4.28Å
46	V	63.4	Low	55.1	Low	13 Å²	13	77 Å²	77	8%	0.079	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.8	178.7	-177	0	0	0	0	108.6	L49 R66 A67 H165 I167	V46-L49 HydrophobicContact CB-CD1 4.05Å; V46-L49 HydrophobicContact CG1-CB 4.5Å; V46-L49 HydrophobicContact CG1-CD1 3.92Å; V46-L49 HydrophobicContact CG1-CG 4.33Å; V46-R66 WeakPolarHBondContact CG2-O 3.11Å; V46-A67 HydrophobicContact CG2-CB 3.95Å; V46-H165 PolarHBondContact N-O 2.75Å; V46-H165 PolarHBondContact O-N 3.02Å; V46-I167 HydrophobicContact CB-CD1 4.3Å; V46-I167 HydrophobicContact CG2-CD1 3.54Å; V46-I167 HydrophobicContact CG2-CG1 4.11Å
47	E	55.6	Low	55.3	Low	106 Å²	106	75.6 Å²	75.6	50%	0.495	43%	0.432	S	S	.	.	S	Bend	trans	-76.7	-23.1	-178.5	-62.3	-165.6	148.5	0	0	113.3	K164	E47-K164 HydrophobicContact CB-CG 4.48Å; E47-K164 HydrophobicContact CG-CD 4.06Å; E47-K164 HydrophobicContact CG-CG 4.12Å; E47-K164 WeakPolarHBondContact OE1-CE 3.46Å; E47-K164 IonicContact OE1-NZ 3.5Å; E47-K164 PolarHBondContact OE1-NZ 2.8Å
48	E	57.4	Low	55.8	Low	149 Å²	149	79.2 Å²	79.2	70%	0.696	45%	0.451	S	S	*	.			trans	-125.9	70.4	-173.7	-66.6	-168.8	166.5	0	0	112.5	F50 T162	E48-F50 PolarHBondContact O-N 2.07Å; E48-T162 HydrophobicContact CG-CG2 4.26Å
49	L	60	Low	56.2	Low	9 Å²	9	84.7 Å²	84.7	5%	0.047	48%	0.481	C	S	.	.			trans	-96.7	76.9	166.1	-120.2	142.7	0	0	0	108.9	V46 F63 F65 I131 I144 H165 I167	V46-L49 HydrophobicContact CB-CD1 4.05Å; V46-L49 HydrophobicContact CG1-CB 4.5Å; V46-L49 HydrophobicContact CG1-CD1 3.92Å; V46-L49 HydrophobicContact CG1-CG 4.33Å; L49-F63 HydrophobicContact CD2-CE1 3.75Å; L49-F63 HydrophobicContact CD2-CZ 3.64Å; L49-F63 HydrophobicContact CG-CZ 4.33Å; L49-F65 HydrophobicContact CD1-CD2 4.21Å; L49-F65 HydrophobicContact CD1-CG 4.39Å; L49-F65 HydrophobicContact CG-CB 4.2Å; L49-F65 HydrophobicContact CG-CG 4.4Å; L49-I131 HydrophobicContact CB-CD1 4.32Å; L49-I131 HydrophobicContact CD2-CB 4.46Å; L49-I131 HydrophobicContact CD2-CD1 3.65Å; L49-I131 HydrophobicContact CD2-CG2 4.09Å; L49-I131 VanDerWaalsContact O-CD1 3.26Å; L49-I131 WeakPolarHBondContact O-CD1 3.33Å; L49-I144 HydrophobicContact CD1-CG2 4.31Å; L49-H165 HydrophobicContact CB-CB 4.47Å; L49-H165 WeakPolarHBondContact CB-ND1 3.47Å; L49-H165 HydrophobicContact CD1-CB 4.05Å; L49-I167 HydrophobicContact CD1-CD1 3.81Å; L49-I167 HydrophobicContact CD1-CG1 4.5Å
50	F	58	Low	56.8	Low	128 Å²	128	81 Å²	81	56%	0.561	45%	0.451	S	S	*	.			trans	-100.3	118	-177.9	-109.5	-80.6	0	0	0	112.1	E48 F63 T162	E48-F50 PolarHBondContact O-N 2.07Å; F50-F63 VanDerWaalsContact O-CE2 3.28Å; F50-F63 WeakPolarHBondContact O-CE2 3.33Å; F50-T162 HydrophobicContact CD2-CG2 4.27Å; F50-T162 HydrophobicContact CE2-CG2 3.68Å
51	F	56.4	Low	57.5	Low	28 Å²	28	77.8 Å²	77.8	12%	0.123	42%	0.416	C	S	.	.			trans	-118.8	132.7	172.2	-179	-91.9	0	0	0	110	P53 Y56 F63 F111 M127 I131	F51-P53 HydrophobicContact CE1-CB 4.46Å; F51-P53 WeakPolarHBondContact O-CD 3.46Å; F51-Y56 HydrophobicContact CE1-CD1 4.24Å; F51-Y56 AromaticContact CE1-CE1 3.5Å; F51-Y56 HydrophobicContact CE1-CE1 3.5Å; F51-Y56 VanDerWaalsContact CE1-CE1 3.5Å; F51-Y56 AromaticContact CZ-CD1 3.9Å; F51-Y56 HydrophobicContact CZ-CD1 3.9Å; F51-Y56 AromaticContact CZ-CE1 3.61Å; F51-Y56 HydrophobicContact CZ-CE1 3.61Å; F51-F63 HydrophobicContact CB-CD2 4.46Å; F51-F63 HydrophobicContact CB-CE2 4.3Å; F51-F63 HydrophobicContact CD2-CB 4.33Å; F51-F63 AromaticContact CD2-CD2 3.79Å; F51-F63 HydrophobicContact CD2-CD2 3.79Å; F51-F63 HydrophobicContact CD2-CE2 4.43Å; F51-F63 HydrophobicContact CD2-CG 4.15Å; F51-F111 HydrophobicContact CE1-CE2 4.48Å; F51-F111 HydrophobicContact CE1-CZ 4.27Å; F51-M127 HydrophobicContact CB-CE 3.93Å; F51-M127 HydrophobicContact CB-SD 4.02Å; F51-M127 HydrophobicContact CD1-CE 3.85Å; F51-M127 HydrophobicContact CD1-SD 3.19Å; F51-M127 WeakPolarHBondContact CD1-SD 3.36Å; F51-M127 HydrophobicContact CD2-CE 3.89Å; F51-M127 HydrophobicContact CD2-SD 4.34Å; F51-M127 HydrophobicContact CE1-CE 4.27Å; F51-M127 HydrophobicContact CE1-SD 3.58Å; F51-M127 VanDerWaalsContact CE1-SD 3.58Å; F51-M127 HydrophobicContact CE2-CE 4.34Å; F51-M127 HydrophobicContact CG-CE 3.61Å; F51-M127 HydrophobicContact CG-SD 3.6Å; F51-M127 HydrophobicContact CZ-SD 4.32Å; F51-I131 HydrophobicContact CB-CD1 3.9Å
52	N	54.3	Low	58.7	Low	94 Å²	94	78 Å²	78	50%	0.503	42%	0.423	S	S	.	.			trans	-90.8	107.4	175	-173.4	-12.2	0	0	0	109.7	N54 S55	N52-N54 PolarHBondContact O-N 3.42Å; N52-N54 WeakPolarHBondContact OD1-CB 3.15Å; N52-N54 PolarHBondContact OD1-N 3.26Å; N52-S55 PolarHBondContact O-N 2.88Å; N52-S55 VanDerWaalsContact O-N 3.13Å; N52-S55 PolarHBondContact O-OG 2.86Å; N52-S55 VanDerWaalsContact O-OG 3.08Å
53	P	48.1	Very low	59.2	Low	67 Å²	67	73.3 Å²	73.3	44%	0.435	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	17	178.4	31.7	-36.7	0	0	0	114.1	F51 Y56	F51-P53 HydrophobicContact CE1-CB 4.46Å; F51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-Y56 VanDerWaalsContact C-CE2 3.46Å; P53-Y56 VanDerWaalsContact CA-CZ 3.41Å; P53-Y56 WeakPolarHBondContact CA-OH 3.28Å; P53-Y56 WeakPolarHBondContact CB-OH 3.4Å; P53-Y56 WeakPolarHBondContact O-CE2 3.26Å; P53-Y56 PolarHBondContact O-OH 3.08Å
54	N	49.6	Very low	60	Low	142 Å²	142	76.2 Å²	76.2	76%	0.759	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-4.4	170.7	-64.8	-39.9	0	0	0	112.5	N52 Y56	N52-N54 PolarHBondContact O-N 3.42Å; N52-N54 WeakPolarHBondContact OD1-CB 3.15Å; N52-N54 PolarHBondContact OD1-N 3.26Å; N54-Y56 PolarHBondContact O-N 3.14Å
55	S	48.6	Very low	60.6	Low	67 Å²	67	74.1 Å²	74.1	47%	0.469	39%	0.391	S	S	.	.			trans	-100.5	43.9	-176.7	66.7	0	0	0	0	113.5	N52 S61	N52-S55 PolarHBondContact O-N 2.88Å; N52-S55 VanDerWaalsContact O-N 3.13Å; N52-S55 PolarHBondContact O-OG 2.86Å; N52-S55 VanDerWaalsContact O-OG 3.08Å; S55-S61 PolarHBondContact O-OG 2.71Å
56	Y	51.7	Low	61.3	Low	89 Å²	89	78.5 Å²	78.5	35%	0.349	40%	0.401	S	S	.	.			trans	-88.6	136	175	-32.3	-73.6	0	0	0	111.7	F51 P53 N54 S61 F111	F51-Y56 HydrophobicContact CE1-CD1 4.24Å; F51-Y56 AromaticContact CE1-CE1 3.5Å; F51-Y56 HydrophobicContact CE1-CE1 3.5Å; F51-Y56 VanDerWaalsContact CE1-CE1 3.5Å; F51-Y56 AromaticContact CZ-CD1 3.9Å; F51-Y56 HydrophobicContact CZ-CD1 3.9Å; F51-Y56 AromaticContact CZ-CE1 3.61Å; F51-Y56 HydrophobicContact CZ-CE1 3.61Å; P53-Y56 VanDerWaalsContact C-CE2 3.46Å; P53-Y56 VanDerWaalsContact CA-CZ 3.41Å; P53-Y56 WeakPolarHBondContact CA-OH 3.28Å; P53-Y56 WeakPolarHBondContact CB-OH 3.4Å; P53-Y56 WeakPolarHBondContact O-CE2 3.26Å; P53-Y56 PolarHBondContact O-OH 3.08Å; N54-Y56 PolarHBondContact O-N 3.14Å; Y56-S61 WeakPolarHBondContact CA-OG 3.15Å; Y56-F111 AromaticContact CD1-CE1 3.77Å; Y56-F111 HydrophobicContact CD1-CE1 3.77Å; Y56-F111 HydrophobicContact CD1-CZ 4.17Å; Y56-F111 AromaticContact CE1-CE1 3.36Å; Y56-F111 HydrophobicContact CE1-CE1 3.36Å; Y56-F111 HydrophobicContact CE1-CE2 4.45Å; Y56-F111 AromaticContact CE1-CZ 3.28Å; Y56-F111 HydrophobicContact CE1-CZ 3.28Å; Y56-F111 AromaticContact CZ-CZ 3.73Å
57	S	52.8	Low	62.1	Low	57 Å²	57	78 Å²	78	40%	0.399	40%	0.398	S	S	.	.			trans	-110.8	151.1	162.4	89.6	0	0	0	0	110.2	N59 G60 S61	S57-N59 PolarHBondContact O-N 3.49Å; S57-N59 VanDerWaalsContact O-N 3.13Å; S57-N59 PolarHBondContact OG-N 3.47Å; S57-G60 PolarHBondContact O-N 2.88Å; S57-G60 PolarHBondContact OG-O 2.93Å; S57-S61 PolarHBondContact N-OG 3.35Å; S57-S61 VanDerWaalsContact N-OG 3.16Å
58	N	50.6	Low	63.4	Low	147 Å²	147	75.1 Å²	75.1	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	171.5	-76.7	-10.8	0	0	0	112.6	G60	N58-G60 PolarHBondContact O-N 3.16Å
59	N	55.7	Low	64.4	Low	141 Å²	141	74.6 Å²	74.6	75%	0.754	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	5.8	175.1	-72.7	-3.5	0	0	0	113.4	S57	S57-N59 PolarHBondContact O-N 3.49Å; S57-N59 VanDerWaalsContact O-N 3.13Å; S57-N59 PolarHBondContact OG-N 3.47Å
60	G	58.7	Low	65.4	Low	9 Å²	9	77.8 Å²	77.8	9%	0.093	40%	0.401	C	S	.	.			trans	83	141.8	-173.5	0	0	0	0	0	111.5	S57 N58 L76 W77	S57-G60 PolarHBondContact O-N 2.88Å; S57-G60 PolarHBondContact OG-O 2.93Å; N58-G60 PolarHBondContact O-N 3.16Å; G60-L76 WeakPolarHBondContact CA-O 3.25Å; G60-W77 VanDerWaalsContact CA-NE1 3.31Å
61	S	69.6	Low	66.7	Low	17 Å²	17	74.9 Å²	74.9	12%	0.119	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.1	177.4	-72.1	0	0	0	0	110.9	S55 Y56 S57 R75 L76	S55-S61 PolarHBondContact O-OG 2.71Å; Y56-S61 WeakPolarHBondContact CA-OG 3.15Å; S57-S61 PolarHBondContact N-OG 3.35Å; S57-S61 VanDerWaalsContact N-OG 3.16Å; S61-R75 WeakPolarHBondContact O-CA 3.47Å; S61-L76 PolarHBondContact N-O 2.9Å; S61-L76 VanDerWaalsContact N-O 3.1Å; S61-L76 PolarHBondContact O-N 2.78Å
62	V	76.3	Confident	68	Low	78 Å²	78	73.6 Å²	73.6	47%	0.473	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.5	177.5	-176.2	0	0	0	0	109.1	L74 L116	V62-L74 CarbonylContact C-O 3.55Å; V62-L74 VanDerWaalsContact CA-O 3.24Å; V62-L74 WeakPolarHBondContact CA-O 3.35Å; V62-L116 HydrophobicContact CG1-CD1 4.33Å; V62-L116 HydrophobicContact CG2-CD1 4.28Å
63	F	75.1	Confident	69.6	Low	18 Å²	18	74.3 Å²	74.3	8%	0.079	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.9	176.7	175.4	-107.6	0	0	0	109.4	L49 F50 F51 F65 K73 L74 L76	L49-F63 HydrophobicContact CD2-CE1 3.75Å; L49-F63 HydrophobicContact CD2-CZ 3.64Å; L49-F63 HydrophobicContact CG-CZ 4.33Å; F50-F63 VanDerWaalsContact O-CE2 3.28Å; F50-F63 WeakPolarHBondContact O-CE2 3.33Å; F51-F63 HydrophobicContact CB-CD2 4.46Å; F51-F63 HydrophobicContact CB-CE2 4.3Å; F51-F63 HydrophobicContact CD2-CB 4.33Å; F51-F63 AromaticContact CD2-CD2 3.79Å; F51-F63 HydrophobicContact CD2-CD2 3.79Å; F51-F63 HydrophobicContact CD2-CE2 4.43Å; F51-F63 HydrophobicContact CD2-CG 4.15Å; F63-F65 HydrophobicContact CD1-CD1 4.23Å; F63-F65 HydrophobicContact CE1-CB 4.11Å; F63-F65 AromaticContact CE1-CD1 3.62Å; F63-F65 HydrophobicContact CE1-CD1 3.62Å; F63-F65 HydrophobicContact CE1-CG 4.26Å; F63-F65 HydrophobicContact CZ-CB 4.18Å; F63-F65 HydrophobicContact CZ-CD1 4.49Å; F63-K73 CarbonylContact O-C 3.48Å; F63-K73 WeakPolarHBondContact O-CA 3.01Å; F63-L74 HydrophobicContact CB-CB 4.45Å; F63-L74 HydrophobicContact CD1-CD1 4.02Å; F63-L74 HydrophobicContact CD1-CG 4.42Å; F63-L74 PolarHBondContact N-O 2.04Å; F63-L74 PolarHBondContact O-N 2.87Å; F63-L76 HydrophobicContact CB-CD1 4.48Å
64	H	81	Confident	71.3	Confident	126 Å²	126	71.1 Å²	71.1	58%	0.583	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	143.6	174.2	61	-96.9	0	0	0	112	F72 K73	H64-F72 WeakPolarHBondContact CA-O 2.88Å; H64-K73 HydrophobicContact CB-CG 4.11Å
65	F	83.2	Confident	73	Confident	7 Å²	7	68.7 Å²	68.7	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.5	170	70.8	-82.5	0	0	0	109.2	L49 F63 A67 F72 L74 I135 I144 I167	L49-F65 HydrophobicContact CD1-CD2 4.21Å; L49-F65 HydrophobicContact CD1-CG 4.39Å; L49-F65 HydrophobicContact CG-CB 4.2Å; L49-F65 HydrophobicContact CG-CG 4.4Å; F63-F65 HydrophobicContact CD1-CD1 4.23Å; F63-F65 HydrophobicContact CE1-CB 4.11Å; F63-F65 AromaticContact CE1-CD1 3.62Å; F63-F65 HydrophobicContact CE1-CD1 3.62Å; F63-F65 HydrophobicContact CE1-CG 4.26Å; F63-F65 HydrophobicContact CZ-CB 4.18Å; F63-F65 HydrophobicContact CZ-CD1 4.49Å; F65-A67 HydrophobicContact CD2-CB 4.06Å; F65-A67 HydrophobicContact CE2-CB 3.77Å; F65-F72 HydrophobicContact CD1-CB 3.91Å; F65-F72 HydrophobicContact CD2-CD2 4.28Å; F65-F72 HydrophobicContact CE1-CB 3.42Å; F65-F72 VanDerWaalsContact CE1-CB 3.42Å; F65-F72 HydrophobicContact CE1-CD2 4.35Å; F65-F72 HydrophobicContact CE1-CG 4.08Å; F65-F72 HydrophobicContact CE2-CB 4.21Å; F65-F72 AromaticContact CE2-CD2 3.6Å; F65-F72 HydrophobicContact CE2-CD2 3.6Å; F65-F72 HydrophobicContact CE2-CE2 4.41Å; F65-F72 HydrophobicContact CE2-CG 4.14Å; F65-F72 HydrophobicContact CZ-CB 3.59Å; F65-F72 AromaticContact CZ-CD2 3.65Å; F65-F72 HydrophobicContact CZ-CD2 3.65Å; F65-F72 AromaticContact CZ-CG 3.69Å; F65-F72 HydrophobicContact CZ-CG 3.69Å; F65-F72 PolarHBondContact N-O 2.72Å; F65-F72 VanDerWaalsContact N-O 3.15Å; F65-F72 PolarHBondContact O-N 2.87Å; F65-L74 HydrophobicContact CD1-CD1 4.5Å; F65-L74 HydrophobicContact CE1-CD1 3.98Å; F65-L74 HydrophobicContact CE1-CG 4.34Å; F65-I135 HydrophobicContact CE1-CD1 3.75Å; F65-I135 HydrophobicContact CZ-CD1 3.5Å; F65-I144 HydrophobicContact CE1-CD1 4.44Å; F65-I144 HydrophobicContact CZ-CD1 4.21Å; F65-I167 HydrophobicContact CD2-CD1 3.86Å; F65-I167 HydrophobicContact CE2-CD1 3.44Å; F65-I167 VanDerWaalsContact CE2-CD1 3.44Å; F65-I167 HydrophobicContact CZ-CD1 4.35Å
66	R	80.9	Confident	74.4	Confident	157 Å²	157	65.8 Å²	65.8	59%	0.592	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.4	177.5	-166	177.8	-174.6	174.9	-2.6	109.4	V46 E70	V46-R66 WeakPolarHBondContact CG2-O 3.11Å; R66-E70 CarbonylContact C-O 3.6Å; R66-E70 VanDerWaalsContact CA-O 3.26Å; R66-E70 WeakPolarHBondContact CA-O 3.21Å; R66-E70 WeakPolarHBondContact CG-O 3.43Å
67	A	81.4	Confident	75.3	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148.4	176.4	0	0	0	0	0	109.4	D44 V46 F65 N69 E70 F72 I167	D44-A67 VanDerWaalsContact OD2-CA 3.31Å; D44-A67 WeakPolarHBondContact OD2-CA 3.21Å; V46-A67 HydrophobicContact CG2-CB 3.95Å; F65-A67 HydrophobicContact CD2-CB 4.06Å; F65-A67 HydrophobicContact CE2-CB 3.77Å; A67-N69 PolarHBondContact O-N 3.05Å; A67-E70 PolarHBondContact N-O 2.8Å; A67-E70 WeakPolarHBondContact O-CA 3.4Å; A67-E70 PolarHBondContact O-N 2.86Å; A67-F72 HydrophobicContact CB-CD2 4.45Å; A67-F72 HydrophobicContact CB-CE2 4.22Å; A67-I167 HydrophobicContact CB-CD1 3.76Å
68	F	82.2	Confident	75.7	Confident	47 Å²	47	64.3 Å²	64.3	21%	0.206	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	38.5	-175.3	-58.1	-78.8	0	0	0	112.6	D42 D44 E70 L142 I167 K169	D42-F68 HydrophobicContact CB-CE1 4.03Å; D44-F68 HydrophobicContact CB-CD1 3.88Å; D44-F68 HydrophobicContact CB-CD2 4.12Å; D44-F68 HydrophobicContact CB-CE1 3.66Å; D44-F68 HydrophobicContact CB-CE2 3.91Å; D44-F68 HydrophobicContact CB-CG 4.11Å; D44-F68 HydrophobicContact CB-CZ 3.69Å; D44-F68 PolarHBondContact OD2-N 3.22Å; F68-E70 PolarHBondContact O-N 2.63Å; F68-E70 VanDerWaalsContact O-N 3.12Å; F68-L142 HydrophobicContact CD2-CD2 4Å; F68-L142 HydrophobicContact CE2-CD2 3.79Å; F68-I167 HydrophobicContact CE2-CB 4.32Å; F68-I167 HydrophobicContact CE2-CG2 3.96Å; F68-I167 VanDerWaalsContact CZ-O 3.28Å; F68-I167 WeakPolarHBondContact CZ-O 3.36Å; F68-K169 HydrophobicContact CE1-CB 4.12Å; F68-K169 HydrophobicContact CE2-CB 3.87Å; F68-K169 HydrophobicContact CG-CD 4.48Å; F68-K169 HydrophobicContact CZ-CB 3.62Å
69	N	78.4	Confident	75.9	Confident	138 Å²	138	61.2 Å²	61.2	74%	0.738	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	6	-171.7	-79.3	-32.9	0	0	0	116.6	A67	A67-N69 PolarHBondContact O-N 3.05Å
70	E	81.3	Confident	75.5	Confident	76 Å²	76	56 Å²	56	36%	0.355	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.4	178.5	-68.6	176.6	178.9	0	0	111.8	R66 A67 F68 F72 H118	R66-E70 CarbonylContact C-O 3.6Å; R66-E70 VanDerWaalsContact CA-O 3.26Å; R66-E70 WeakPolarHBondContact CA-O 3.21Å; R66-E70 WeakPolarHBondContact CG-O 3.43Å; A67-E70 PolarHBondContact N-O 2.8Å; A67-E70 WeakPolarHBondContact O-CA 3.4Å; A67-E70 PolarHBondContact O-N 2.86Å; F68-E70 PolarHBondContact O-N 2.63Å; F68-E70 VanDerWaalsContact O-N 3.12Å; E70-F72 HydrophobicContact CB-CE2 3.94Å; E70-F72 HydrophobicContact CB-CZ 4.02Å; E70-H118 IonicContact OE2-NE2 3.8Å; E70-H118 PolarHBondContact OE2-NE2 3.47Å
71	T	84.6	Confident	74.9	Confident	67 Å²	67	57.1 Å²	57.1	41%	0.411	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.2	177.7	-56	0	0	0	0	110.1	S117	T71-S117 WeakPolarHBondContact O-CB 3.49Å; T71-S117 PolarHBondContact O-OG 3.1Å
72	F	84.9	Confident	73.8	Confident	1 Å²	1	59 Å²	59	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114	178.1	-65.4	-81.3	0	0	0	109.8	H64 F65 A67 E70 V115 S117 H118 L137 L142	H64-F72 WeakPolarHBondContact CA-O 2.88Å; F65-F72 HydrophobicContact CD1-CB 3.91Å; F65-F72 HydrophobicContact CD2-CD2 4.28Å; F65-F72 HydrophobicContact CE1-CB 3.42Å; F65-F72 VanDerWaalsContact CE1-CB 3.42Å; F65-F72 HydrophobicContact CE1-CD2 4.35Å; F65-F72 HydrophobicContact CE1-CG 4.08Å; F65-F72 HydrophobicContact CE2-CB 4.21Å; F65-F72 AromaticContact CE2-CD2 3.6Å; F65-F72 HydrophobicContact CE2-CD2 3.6Å; F65-F72 HydrophobicContact CE2-CE2 4.41Å; F65-F72 HydrophobicContact CE2-CG 4.14Å; F65-F72 HydrophobicContact CZ-CB 3.59Å; F65-F72 AromaticContact CZ-CD2 3.65Å; F65-F72 HydrophobicContact CZ-CD2 3.65Å; F65-F72 AromaticContact CZ-CG 3.69Å; F65-F72 HydrophobicContact CZ-CG 3.69Å; F65-F72 PolarHBondContact N-O 2.72Å; F65-F72 VanDerWaalsContact N-O 3.15Å; F65-F72 PolarHBondContact O-N 2.87Å; A67-F72 HydrophobicContact CB-CD2 4.45Å; A67-F72 HydrophobicContact CB-CE2 4.22Å; E70-F72 HydrophobicContact CB-CE2 3.94Å; E70-F72 HydrophobicContact CB-CZ 4.02Å; F72-V115 HydrophobicContact CD1-CG1 4.11Å; F72-S117 WeakPolarHBondContact CA-OG 3.36Å; F72-H118 AromaticContact CD1-CE1 3.68Å; F72-H118 AromaticContact CD1-ND1 3.73Å; F72-H118 AromaticContact CE1-CE1 3.37Å; F72-H118 WeakPolarHBondContact CE1-CE1 3.36Å; F72-H118 AromaticContact CE1-ND1 3.72Å; F72-H118 AromaticContact CE1-NE2 3.88Å; F72-L137 HydrophobicContact CE1-CD1 3.9Å; F72-L142 HydrophobicContact CD1-CD1 4.1Å; F72-L142 HydrophobicContact CD2-CD1 4.42Å; F72-L142 HydrophobicContact CE1-CD1 3.47Å; F72-L142 VanDerWaalsContact CE1-CD1 3.47Å; F72-L142 HydrophobicContact CE2-CD1 3.83Å; F72-L142 HydrophobicContact CZ-CD1 3.33Å
73	K	86.4	Confident	72.5	Confident	108 Å²	108	56.5 Å²	56.5	47%	0.47	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.1	173.3	-73.4	-178.1	-180	175.9	0	109.3	F63 H64 V115 L116 S117	F63-K73 CarbonylContact O-C 3.48Å; F63-K73 WeakPolarHBondContact O-CA 3.01Å; H64-K73 HydrophobicContact CB-CG 4.11Å; K73-V115 CarbonylContact O-C 3.47Å; K73-V115 WeakPolarHBondContact O-CA 3.18Å; K73-L116 HydrophobicContact CB-CB 4.2Å; K73-L116 WeakPolarHBondContact O-CB 3.05Å; K73-L116 PolarHBondContact O-N 2.89Å; K73-S117 PolarHBondContact N-OG 3.41Å
74	L	85.3	Confident	71.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.1	-179.2	-51.4	-176	0	0	0	110.6	V62 F63 F65 L76 Y114 V115 V123 L125 I135	V62-L74 CarbonylContact C-O 3.55Å; V62-L74 VanDerWaalsContact CA-O 3.24Å; V62-L74 WeakPolarHBondContact CA-O 3.35Å; F63-L74 HydrophobicContact CB-CB 4.45Å; F63-L74 HydrophobicContact CD1-CD1 4.02Å; F63-L74 HydrophobicContact CD1-CG 4.42Å; F63-L74 PolarHBondContact N-O 2.04Å; F63-L74 PolarHBondContact O-N 2.87Å; F65-L74 HydrophobicContact CD1-CD1 4.5Å; F65-L74 HydrophobicContact CE1-CD1 3.98Å; F65-L74 HydrophobicContact CE1-CG 4.34Å; L74-L76 HydrophobicContact CB-CD1 4.48Å; L74-L76 HydrophobicContact CB-CD2 4.45Å; L74-L76 HydrophobicContact CB-CG 4.22Å; L74-Y114 CarbonylContact C-O 3.59Å; L74-Y114 WeakPolarHBondContact CA-O 3.13Å; L74-V115 HydrophobicContact CD2-CB 3.93Å; L74-V115 HydrophobicContact CD2-CG1 3.95Å; L74-V115 HydrophobicContact CD2-CG2 3.3Å; L74-V123 HydrophobicContact CB-CG1 4.45Å; L74-V123 HydrophobicContact CD1-CG2 3.86Å; L74-V123 HydrophobicContact CD2-CB 4.24Å; L74-V123 HydrophobicContact CD2-CG1 4.09Å; L74-V123 HydrophobicContact CD2-CG2 4.22Å; L74-L125 HydrophobicContact CD1-CD1 3.97Å; L74-I135 HydrophobicContact CD1-CD1 4.37Å; L74-I135 HydrophobicContact CD2-CD1 4.17Å; L74-I135 HydrophobicContact CD2-CG1 4.42Å
75	R	84	Confident	69.2	Low	92 Å²	92	55.9 Å²	55.9	35%	0.347	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	164.8	-179.1	172.9	-74.8	149.7	-2	108.6	S61 W77 G113 Y114 L116	S61-R75 WeakPolarHBondContact O-CA 3.47Å; R75-W77 HydrophobicContact CB-CH2 4.31Å; R75-W77 HydrophobicContact CG-CH2 3.57Å; R75-W77 HydrophobicContact CG-CZ2 3.76Å; R75-W77 HydrophobicContact CG-CZ3 4.09Å; R75-W77 WeakPolarHBondContact O-CZ3 3.46Å; R75-G113 CarbonylContact O-C 3.57Å; R75-G113 WeakPolarHBondContact O-CA 3.07Å; R75-Y114 PolarHBondContact N-O 3.22Å; R75-Y114 PolarHBondContact O-N 3.38Å; R75-L116 HydrophobicContact CB-CD1 4.21Å; R75-L116 HydrophobicContact CB-CD2 4.32Å; R75-L116 HydrophobicContact CB-CG 4.25Å
76	L	78.3	Confident	67.3	Low	5 Å²	5	57.3 Å²	57.3	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.8	-168.4	-63.3	172	0	0	0	113.5	G60 S61 F63 L74 F111 H112 V123 L125 M127	G60-L76 WeakPolarHBondContact CA-O 3.25Å; S61-L76 PolarHBondContact N-O 2.9Å; S61-L76 VanDerWaalsContact N-O 3.1Å; S61-L76 PolarHBondContact O-N 2.78Å; F63-L76 HydrophobicContact CB-CD1 4.48Å; L74-L76 HydrophobicContact CB-CD1 4.48Å; L74-L76 HydrophobicContact CB-CD2 4.45Å; L74-L76 HydrophobicContact CB-CG 4.22Å; L76-F111 HydrophobicContact CB-CB 4.22Å; L76-F111 HydrophobicContact CB-CD1 4.46Å; L76-F111 HydrophobicContact CD1-CB 4.47Å; L76-F111 HydrophobicContact CD2-CB 4.35Å; L76-H112 CarbonylContact C-O 3.54Å; L76-H112 WeakPolarHBondContact CA-O 3.32Å; L76-V123 HydrophobicContact CD2-CG1 3.63Å; L76-V123 HydrophobicContact CD2-CG2 4.46Å; L76-L125 HydrophobicContact CD1-CD1 3.66Å; L76-L125 HydrophobicContact CD2-CD1 4.44Å; L76-M127 HydrophobicContact CD1-CE 4.32Å
77	W	70	Confident	65.6	Low	67 Å²	67	50 Å²	50	25%	0.254	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.8	175.5	-61.2	-94.1	0	0	0	112.6	G60 R75 F111 H112 Y114	G60-W77 VanDerWaalsContact CA-NE1 3.31Å; R75-W77 HydrophobicContact CB-CH2 4.31Å; R75-W77 HydrophobicContact CG-CH2 3.57Å; R75-W77 HydrophobicContact CG-CZ2 3.76Å; R75-W77 HydrophobicContact CG-CZ3 4.09Å; R75-W77 WeakPolarHBondContact O-CZ3 3.46Å; W77-F111 VanDerWaalsContact O-CA 3.29Å; W77-F111 WeakPolarHBondContact O-CA 3.07Å; W77-H112 PolarHBondContact N-O 2.69Å; W77-H112 PolarHBondContact O-N 2.98Å; W77-H112 PolarHBondContact O-ND1 2.79Å; W77-Y114 AromaticContact CH2-CD2 3.86Å; W77-Y114 HydrophobicContact CH2-CD2 3.86Å; W77-Y114 HydrophobicContact CH2-CE2 4.08Å; W77-Y114 AromaticContact CZ3-CD2 3.66Å; W77-Y114 HydrophobicContact CZ3-CD2 3.66Å; W77-Y114 AromaticContact CZ3-CE2 3.87Å; W77-Y114 HydrophobicContact CZ3-CE2 3.87Å
78	P	62.9	Low	64	Low	49 Å²	49	50.1 Å²	50.1	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	157.2	174.5	30.3	-33.6	0	0	0	113.1	H108 F111	P78-H108 HydrophobicContact CB-CB 4.44Å; P78-F111 HydrophobicContact CB-CD1 4.39Å; P78-F111 HydrophobicContact CB-CE1 4.1Å
79	Q	52.9	Low	62.5	Low	82 Å²	82	48.2 Å²	48.2	38%	0.383	26%	0.255	S	S	.	.			trans	-102.3	135.6	180	179.1	54.6	-93.7	0	0	112.2	D81 H110	Q79-D81 PolarHBondContact OE1-OD2 3.35Å; Q79-H110 PolarHBondContact N-O 2.9Å
80	T	48.1	Very low	61.5	Low	31 Å²	31	42 Å²	42	19%	0.19	22%	0.222	C	C	.	.			trans	-143.2	3.2	-166.2	54.5	0	0	0	0	120.1	L82	T80-L82 PolarHBondContact O-N 2.99Å
81	D	47.2	Very low	60.1	Low	33 Å²	33	39 Å²	39	18%	0.176	21%	0.209	C	C	.	.	S	Bend	trans	-98.2	13.4	-148.7	-55.9	-41.3	0	0	0	121.6	Q79 S447	Q79-D81 PolarHBondContact OE1-OD2 3.35Å; D81-S447 WeakPolarHBondContact OD1-CA 3.47Å; D81-S447 VanDerWaalsContact OD1-CB 3.29Å; D81-S447 WeakPolarHBondContact OD1-CB 3.2Å; D81-S447 PolarHBondContact OD1-OG 2.81Å
82	L	46.2	Very low	58.9	Low	57 Å²	57	37.5 Å²	37.5	30%	0.298	20%	0.196	S	C	.	.	S	Bend	trans	-110.7	-38.4	172.8	-167.4	80.4	0	0	0	113.8	T80 I259 N263 L454	T80-L82 PolarHBondContact O-N 2.99Å; L82-I259 HydrophobicContact CD2-CG2 4.18Å; L82-N263 WeakPolarHBondContact CD1-OD1 3.45Å; L82-L454 HydrophobicContact CB-CD1 4.35Å; L82-L454 HydrophobicContact CD2-CD2 3.8Å
83	V	49	Very low	57.5	Low	25 Å²	25	40.6 Å²	40.6	15%	0.152	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.6	-174.9	170.8	0	0	0	0	106.2	A87 L104 F106	V83-A87 HydrophobicContact CG1-CB 3.27Å; V83-L104 HydrophobicContact CG1-CB 4.28Å; V83-L104 HydrophobicContact CG1-CD1 3.58Å; V83-F106 HydrophobicContact CB-CD2 4.26Å; V83-F106 HydrophobicContact CB-CE2 4.22Å; V83-F106 HydrophobicContact CG1-CD2 4.4Å; V83-F106 HydrophobicContact CG2-CD2 4.15Å; V83-F106 HydrophobicContact CG2-CE2 3.62Å; V83-F106 HydrophobicContact CG2-CZ 4.46Å
84	G	45	Very low	55.8	Low	19 Å²	19	38.8 Å²	38.8	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	146.4	-176.2	0	0	0	0	0	111.4	G86 A87 V283	G84-G86 PolarHBondContact O-N 3.47Å; G84-A87 VanDerWaalsContact O-CB 3.27Å; G84-A87 WeakPolarHBondContact O-CB 3.42Å; G84-A87 PolarHBondContact O-N 3.12Å; G84-V283 PolarHBondContact N-O 3.1Å
85	I	41.5	Very low	54	Low	112 Å²	112	47.8 Å²	47.8	57%	0.574	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	117.1	174.8	-65.3	172.8	0	0	0	108.3	R445	I85-R445 WeakPolarHBondContact CD1-O 3.37Å
86	G	42.4	Very low	52.3	Low	37 Å²	37	44.8 Å²	44.8	38%	0.381	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.7	2.2	-178.1	0	0	0	0	0	115.3	G84 A88	G84-G86 PolarHBondContact O-N 3.47Å; G86-A88 PolarHBondContact O-N 2.89Å
87	A	45.8	Very low	50.8	Low	3 Å²	3	52.9 Å²	52.9	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	138.3	179.1	0	0	0	0	0	112.1	V83 G84 L104 V284	V83-A87 HydrophobicContact CG1-CB 3.27Å; G84-A87 VanDerWaalsContact O-CB 3.27Å; G84-A87 WeakPolarHBondContact O-CB 3.42Å; G84-A87 PolarHBondContact O-N 3.12Å; A87-L104 HydrophobicContact CB-CD1 3.79Å; A87-L104 PolarHBondContact O-N 3.28Å; A87-V284 WeakPolarHBondContact CA-O 3.46Å; A87-V284 WeakPolarHBondContact CB-O 3.22Å
88	A	48.5	Very low	49.9	Very low	4 Å²	4	56.4 Å²	56.4	3%	0.033	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.1	-171.6	0	0	0	0	0	110.7	G86 V90 F101 V284 L285 I286	G86-A88 PolarHBondContact O-N 2.89Å; A88-V90 HydrophobicContact CB-CG2 4.33Å; A88-F101 HydrophobicContact CB-CD2 3.98Å; A88-F101 HydrophobicContact CB-CE1 4.28Å; A88-F101 HydrophobicContact CB-CE2 3.15Å; A88-F101 HydrophobicContact CB-CZ 3.34Å; A88-V284 PolarHBondContact N-O 2.75Å; A88-L285 HydrophobicContact CB-CD1 4.11Å; A88-L285 WeakPolarHBondContact O-CD1 3.32Å; A88-I286 PolarHBondContact O-N 2.75Å; A88-I286 VanDerWaalsContact O-N 3.09Å
89	M	50.7	Low	49.2	Very low	6 Å²	6	54.8 Å²	54.8	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128	156	176.3	-176.8	-78.5	0	0	107.7	R102 L104 E251 Q255 I286	M89-R102 CarbonylContact C-O 3.51Å; M89-R102 WeakPolarHBondContact CA-O 3.43Å; M89-R102 WeakPolarHBondContact CB-O 3.48Å; M89-R102 PolarHBondContact N-O 2.99Å; M89-R102 CarbonylContact O-C 3.51Å; M89-R102 PolarHBondContact O-N 3.33Å; M89-L104 HydrophobicContact CB-CD2 4.15Å; M89-L104 HydrophobicContact CB-CG 4.21Å; M89-L104 HydrophobicContact CE-CD2 4.15Å; M89-E251 HydrophobicContact SD-CG 4.48Å; M89-Q255 HydrophobicContact CE-CB 3.77Å; M89-Q255 HydrophobicContact CE-CG 3.47Å; M89-Q255 VanDerWaalsContact CE-CG 3.47Å; M89-I286 WeakPolarHBondContact CA-O 3.47Å
90	V	55.8	Low	49	Very low	7 Å²	7	54.1 Å²	54.1	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.6	174	-175.6	0	0	0	0	108.2	A88 R92 F101 L285 I286 C287 I288 M325	A88-V90 HydrophobicContact CB-CG2 4.33Å; V90-R92 HydrophobicContact CG1-CG 3.97Å; V90-F101 HydrophobicContact CG2-CD2 3.84Å; V90-F101 HydrophobicContact CG2-CE2 4.41Å; V90-L285 HydrophobicContact CG2-CD1 3.97Å; V90-I286 PolarHBondContact N-O 2.63Å; V90-I286 VanDerWaalsContact N-O 3.14Å; V90-C287 WeakPolarHBondContact O-CA 3.36Å; V90-C287 PolarHBondContact O-SG 2.73Å; V90-I288 PolarHBondContact O-N 3.35Å; V90-M325 HydrophobicContact CG2-CE 4.22Å
91	T	53.2	Low	48.8	Very low	13 Å²	13	58.5 Å²	58.5	8%	0.08	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	107.2	173.9	-52.9	0	0	0	0	107.3	G99 T100 E251 I288 C290	T91-G99 CarbonylContact O-C 3.59Å; T91-G99 WeakPolarHBondContact O-CA 3.24Å; T91-T100 PolarHBondContact N-O 2.83Å; T91-T100 PolarHBondContact O-N 3.02Å; T91-T100 PolarHBondContact O-OG1 3.02Å; T91-E251 PolarHBondContact OG1-OE1 2.81Å; T91-E251 VanDerWaalsContact OG1-OE1 3.04Å; T91-I288 WeakPolarHBondContact CA-O 3.37Å; T91-C290 HydrophobicContact CG2-CB 4.3Å; T91-C290 WeakPolarHBondContact CG2-SG 3.49Å
92	R	59.5	Low	48.9	Very low	36 Å²	36	64.4 Å²	64.4	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.6	-179.5	-69.5	-177.5	171.9	-111.7	-15.3	109.6	V90 Q97 I288 L289 C290 C291	V90-R92 HydrophobicContact CG1-CG 3.97Å; R92-Q97 PolarHBondContact NH1-O 3.45Å; R92-I288 PolarHBondContact N-O 2.74Å; R92-L289 HydrophobicContact CB-CD2 4.16Å; R92-L289 HydrophobicContact CG-CD2 4.32Å; R92-C290 PolarHBondContact O-N 2.94Å; R92-C291 PolarHBondContact O-N 2.87Å
93	D	54.3	Low	48.9	Very low	66 Å²	66	69.1 Å²	69.1	35%	0.353	36%	0.358	S	S	.	.			trans	-104.4	165.1	170.2	65.6	28.8	0	0	0	110.9	H95 S96 C291	D93-H95 PolarHBondContact O-N 2.84Å; D93-H95 VanDerWaalsContact O-N 3.1Å; D93-H95 PolarHBondContact OD1-N 2.99Å; D93-S96 VanDerWaalsContact CG-OG 3.25Å; D93-S96 PolarHBondContact O-N 3.44Å; D93-S96 WeakPolarHBondContact OD1-CA 3.29Å; D93-S96 VanDerWaalsContact OD1-CB 3.23Å; D93-S96 WeakPolarHBondContact OD1-CB 3.45Å; D93-S96 PolarHBondContact OD1-N 2.81Å; D93-S96 PolarHBondContact OD1-OG 2.89Å; D93-C291 VanDerWaalsContact CA-SG 3.57Å
94	A	50.3	Low	48.7	Very low	71 Å²	71	68.2 Å²	68.2	59%	0.587	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17	-177.2	0	0	0	0	0	113.7	C291	A94-C291 HydrophobicContact CB-CB 3.99Å; A94-C291 PolarHBondContact N-SG 3.4Å; A94-C291 VanDerWaalsContact N-SG 3.36Å
95	H	48.9	Very low	48.5	Very low	188 Å²	188	72.1 Å²	72.1	87%	0.87	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-19.4	-176.4	-64.7	-21	0	0	0	112.8	D93	D93-H95 PolarHBondContact O-N 2.84Å; D93-H95 VanDerWaalsContact O-N 3.1Å; D93-H95 PolarHBondContact OD1-N 2.99Å
96	S	47.9	Very low	48.6	Very low	29 Å²	29	72.5 Å²	72.5	20%	0.203	37%	0.372	C	S	.	.			trans	-114.1	92.4	178.2	65.5	0	0	0	0	110.8	D93 N98 G99	D93-S96 VanDerWaalsContact CG-OG 3.25Å; D93-S96 PolarHBondContact O-N 3.44Å; D93-S96 WeakPolarHBondContact OD1-CA 3.29Å; D93-S96 VanDerWaalsContact OD1-CB 3.23Å; D93-S96 WeakPolarHBondContact OD1-CB 3.45Å; D93-S96 PolarHBondContact OD1-N 2.81Å; D93-S96 PolarHBondContact OD1-OG 2.89Å; S96-N98 PolarHBondContact O-N 3.43Å; S96-G99 PolarHBondContact O-N 2.03Å; S96-G99 WeakPolarHBondContact OG-CA 3.3Å
97	Q	47.8	Very low	48.6	Very low	175 Å²	175	79.5 Å²	79.5	82%	0.818	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.1	172	-72	-171.3	-2.8	0	0	113.2	R92	R92-Q97 PolarHBondContact NH1-O 3.45Å
98	N	49.7	Very low	49	Very low	142 Å²	142	83.5 Å²	83.5	76%	0.759	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-12	176.3	-69.8	-14.8	0	0	0	113.6	S96	S96-N98 PolarHBondContact O-N 3.43Å
99	G	49.3	Very low	49.6	Very low	14 Å²	14	83.9 Å²	83.9	14%	0.144	41%	0.407	C	S	.	.			trans	66.9	162.9	-171.4	0	0	0	0	0	113.4	T91 S96 F101	T91-G99 CarbonylContact O-C 3.59Å; T91-G99 WeakPolarHBondContact O-CA 3.24Å; S96-G99 PolarHBondContact O-N 2.03Å; S96-G99 WeakPolarHBondContact OG-CA 3.3Å; G99-F101 PolarHBondContact O-N 2.9Å
100	T	48	Very low	50.1	Low	69 Å²	69	85.8 Å²	85.8	42%	0.423	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	108.9	165.3	49.4	0	0	0	0	108.5	T91 R102	T91-T100 PolarHBondContact N-O 2.83Å; T91-T100 PolarHBondContact O-N 3.02Å; T91-T100 PolarHBondContact O-OG1 3.02Å; T100-R102 PolarHBondContact O-N 3.46Å
101	F	42.9	Very low	50.9	Low	123 Å²	123	85.9 Å²	85.9	54%	0.539	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	112.4	175	-171.9	-84.8	0	0	0	108.9	A88 V90 G99 R103	A88-F101 HydrophobicContact CB-CD2 3.98Å; A88-F101 HydrophobicContact CB-CE1 4.28Å; A88-F101 HydrophobicContact CB-CE2 3.15Å; A88-F101 HydrophobicContact CB-CZ 3.34Å; V90-F101 HydrophobicContact CG2-CD2 3.84Å; V90-F101 HydrophobicContact CG2-CE2 4.41Å; G99-F101 PolarHBondContact O-N 2.9Å; F101-R103 HydrophobicContact CE1-CB 4.4Å
102	R	50.8	Low	51.9	Low	156 Å²	156	88.1 Å²	88.1	59%	0.589	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	118	164.9	-77.7	-178.4	171.1	-176.1	-1	107.3	M89 T100 L104	M89-R102 CarbonylContact C-O 3.51Å; M89-R102 WeakPolarHBondContact CA-O 3.43Å; M89-R102 WeakPolarHBondContact CB-O 3.48Å; M89-R102 PolarHBondContact N-O 2.99Å; M89-R102 CarbonylContact O-C 3.51Å; M89-R102 PolarHBondContact O-N 3.33Å; T100-R102 PolarHBondContact O-N 3.46Å; R102-L104 PolarHBondContact O-N 2.74Å
103	R	45.1	Very low	52.9	Low	157 Å²	157	86.4 Å²	86.4	59%	0.592	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	129.5	162.7	-176.6	176.2	-97.3	-169.7	-6.3	106.4	F101	F101-R103 HydrophobicContact CE1-CB 4.4Å
104	L	45.9	Very low	54.3	Low	6 Å²	6	87.1 Å²	87.1	3%	0.031	42%	0.417	C	S	.	.			trans	-47.6	130.1	179.5	-82.5	156.3	0	0	0	108	V83 A87 M89 R102 F106	V83-L104 HydrophobicContact CG1-CB 4.28Å; V83-L104 HydrophobicContact CG1-CD1 3.58Å; A87-L104 HydrophobicContact CB-CD1 3.79Å; A87-L104 PolarHBondContact O-N 3.28Å; M89-L104 HydrophobicContact CB-CD2 4.15Å; M89-L104 HydrophobicContact CB-CG 4.21Å; M89-L104 HydrophobicContact CE-CD2 4.15Å; R102-L104 PolarHBondContact O-N 2.74Å; L104-F106 HydrophobicContact CB-CD2 4.43Å; L104-F106 PolarHBondContact O-N 3.32Å
105	P	40.4	Very low	55.9	Low	100 Å²	100	83.7 Å²	83.7	65%	0.649	39%	0.389	S	S	*	.	S	Bend	trans	-75.7	55.5	-167.2	31.4	-36.2	0	0	0	112	R107	P105-R107 PolarHBondContact O-N 2.7Å
106	F	42.3	Very low	57.5	Low	121 Å²	121	77.6 Å²	77.6	53%	0.531	36%	0.363	S	S	.	.			trans	-88.9	88.7	155.3	-66.3	-75.2	0	0	0	106.3	V83 L104 H108	V83-F106 HydrophobicContact CB-CD2 4.26Å; V83-F106 HydrophobicContact CB-CE2 4.22Å; V83-F106 HydrophobicContact CG1-CD2 4.4Å; V83-F106 HydrophobicContact CG2-CD2 4.15Å; V83-F106 HydrophobicContact CG2-CE2 3.62Å; V83-F106 HydrophobicContact CG2-CZ 4.46Å; L104-F106 HydrophobicContact CB-CD2 4.43Å; L104-F106 PolarHBondContact O-N 3.32Å; F106-H108 PolarHBondContact O-N 2.84Å; F106-H108 VanDerWaalsContact O-N 3.13Å
107	R	42.5	Very low	59.1	Low	183 Å²	183	78.7 Å²	78.7	69%	0.691	37%	0.37	S	S	*	.			trans	-55.5	121.5	157.9	-77	-178.7	176.6	177.2	-1.5	105	P105 C109	P105-R107 PolarHBondContact O-N 2.7Å; R107-C109 HydrophobicContact CB-CB 4.08Å; R107-C109 WeakPolarHBondContact CB-SG 3.5Å; R107-C109 PolarHBondContact O-N 2.77Å; R107-C109 PolarHBondContact O-SG 2.71Å
108	H	55.1	Low	60.5	Low	87 Å²	87	72.8 Å²	72.8	40%	0.403	34%	0.342	S	S	.	.	S	Bend	trans	-68.3	57.3	169.6	-62.2	-68.5	0	0	0	109.7	P78 F106 F111	P78-H108 HydrophobicContact CB-CB 4.44Å; F106-H108 PolarHBondContact O-N 2.84Å; F106-H108 VanDerWaalsContact O-N 3.13Å; H108-F111 VanDerWaalsContact O-CZ 3.25Å; H108-F111 WeakPolarHBondContact O-CZ 3.23Å
109	C	60.2	Low	61.8	Low	12 Å²	12	74.1 Å²	74.1	8%	0.081	34%	0.344	C	S	.	.			trans	-107.9	-2.4	-177.2	53.2	0	0	0	0	112.1	R107 F111 M127 C128	R107-C109 HydrophobicContact CB-CB 4.08Å; R107-C109 WeakPolarHBondContact CB-SG 3.5Å; R107-C109 PolarHBondContact O-N 2.77Å; R107-C109 PolarHBondContact O-SG 2.71Å; C109-F111 VanDerWaalsContact C-CE2 3.48Å; C109-F111 VanDerWaalsContact O-CD2 3.32Å; C109-F111 WeakPolarHBondContact O-CD2 3.1Å; C109-F111 WeakPolarHBondContact O-CE2 3.43Å; C109-M127 HydrophobicContact CB-CB 4.4Å; C109-M127 PolarHBondContact O-N 2.88Å; C109-C128 HydrophobicContact CB-CB 4.01Å; C109-C128 WeakPolarHBondContact CB-SG 2.98Å; C109-C128 VanDerWaalsContact SG-CA 3.52Å; C109-C128 WeakPolarHBondContact SG-CB 3.27Å; C109-C128 CovalentContact SG-SG 2.03Å; C109-C128 PolarHBondContact SG-SG 3.42Å
110	H	62.7	Low	63	Low	47 Å²	47	77.7 Å²	77.7	22%	0.218	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.3	172.8	-61.8	-68.2	0	0	0	110	N27 Q79 S126 C128	N27-H110 PolarHBondContact ND2-NE2 3.43Å; N27-H110 PolarHBondContact OD1-CE1 3.16Å; Q79-H110 PolarHBondContact N-O 2.9Å; H110-S126 PolarHBondContact CE1-OG 3.37Å; H110-S126 VanDerWaalsContact CE1-OG 3.23Å; H110-S126 PolarHBondContact ND1-OG 3.05Å; H110-C128 PolarHBondContact CE1-SG 2.8Å
111	F	71.7	Confident	64.3	Low	9 Å²	9	75 Å²	75	4%	0.039	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.2	-175.1	-60.7	-86.6	0	0	0	111.1	F51 Y56 L76 W77 P78 H108 C109 A124 L125 M127	F51-F111 HydrophobicContact CE1-CE2 4.48Å; F51-F111 HydrophobicContact CE1-CZ 4.27Å; Y56-F111 AromaticContact CD1-CE1 3.77Å; Y56-F111 HydrophobicContact CD1-CE1 3.77Å; Y56-F111 HydrophobicContact CD1-CZ 4.17Å; Y56-F111 AromaticContact CE1-CE1 3.36Å; Y56-F111 HydrophobicContact CE1-CE1 3.36Å; Y56-F111 HydrophobicContact CE1-CE2 4.45Å; Y56-F111 AromaticContact CE1-CZ 3.28Å; Y56-F111 HydrophobicContact CE1-CZ 3.28Å; Y56-F111 AromaticContact CZ-CZ 3.73Å; L76-F111 HydrophobicContact CB-CB 4.22Å; L76-F111 HydrophobicContact CB-CD1 4.46Å; L76-F111 HydrophobicContact CD1-CB 4.47Å; L76-F111 HydrophobicContact CD2-CB 4.35Å; W77-F111 VanDerWaalsContact O-CA 3.29Å; W77-F111 WeakPolarHBondContact O-CA 3.07Å; P78-F111 HydrophobicContact CB-CD1 4.39Å; P78-F111 HydrophobicContact CB-CE1 4.1Å; H108-F111 VanDerWaalsContact O-CZ 3.25Å; H108-F111 WeakPolarHBondContact O-CZ 3.23Å; C109-F111 VanDerWaalsContact C-CE2 3.48Å; C109-F111 VanDerWaalsContact O-CD2 3.32Å; C109-F111 WeakPolarHBondContact O-CD2 3.1Å; C109-F111 WeakPolarHBondContact O-CE2 3.43Å; F111-A124 WeakPolarHBondContact O-CA 3.35Å; F111-L125 PolarHBondContact N-O 3.42Å; F111-L125 PolarHBondContact O-N 3.21Å; F111-M127 HydrophobicContact CD2-CB 4.46Å; F111-M127 HydrophobicContact CD2-CE 4.38Å; F111-M127 HydrophobicContact CD2-CG 3.91Å; F111-M127 HydrophobicContact CD2-SD 3.79Å; F111-M127 HydrophobicContact CE2-CB 4.14Å; F111-M127 HydrophobicContact CE2-CG 3.98Å; F111-M127 HydrophobicContact CE2-SD 3.65Å
112	H	73.5	Confident	65.8	Low	60 Å²	60	70.8 Å²	70.8	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.3	169.7	72.6	-68.7	0	0	0	109.8	L76 W77 V123	L76-H112 CarbonylContact C-O 3.54Å; L76-H112 WeakPolarHBondContact CA-O 3.32Å; W77-H112 PolarHBondContact N-O 2.69Å; W77-H112 PolarHBondContact O-N 2.98Å; W77-H112 PolarHBondContact O-ND1 2.79Å; H112-V123 CarbonylContact C-O 3.39Å; H112-V123 WeakPolarHBondContact CA-O 3.31Å
113	G	82	Confident	67.2	Low	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-145.7	169	0	0	0	0	0	114.5	R75 V123	R75-G113 CarbonylContact O-C 3.57Å; R75-G113 WeakPolarHBondContact O-CA 3.07Å; G113-V123 PolarHBondContact N-O 3.3Å; G113-V123 VanDerWaalsContact O-CG1 3.32Å; G113-V123 WeakPolarHBondContact O-CG1 2.98Å; G113-V123 PolarHBondContact O-N 3.43Å
114	Y	82.3	Confident	68.4	Low	80 Å²	80	56 Å²	56	31%	0.314	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149	-168.8	-53.4	-71.7	0	0	0	114	G21 L74 R75 W77 L116 N120 A121 N122	G21-Y114 PolarHBondContact O-OH 2.89Å; L74-Y114 CarbonylContact C-O 3.59Å; L74-Y114 WeakPolarHBondContact CA-O 3.13Å; R75-Y114 PolarHBondContact N-O 3.22Å; R75-Y114 PolarHBondContact O-N 3.38Å; W77-Y114 AromaticContact CH2-CD2 3.86Å; W77-Y114 HydrophobicContact CH2-CD2 3.86Å; W77-Y114 HydrophobicContact CH2-CE2 4.08Å; W77-Y114 AromaticContact CZ3-CD2 3.66Å; W77-Y114 HydrophobicContact CZ3-CD2 3.66Å; W77-Y114 AromaticContact CZ3-CE2 3.87Å; W77-Y114 HydrophobicContact CZ3-CE2 3.87Å; Y114-L116 PolarHBondContact O-N 3.26Å; Y114-N120 HydrophobicContact CD1-CB 4.43Å; Y114-N120 WeakPolarHBondContact CD1-O 3.31Å; Y114-N120 HydrophobicContact CG-CB 4.41Å; Y114-A121 CarbonylContact C-O 3.31Å; Y114-A121 WeakPolarHBondContact CA-O 3.37Å; Y114-N122 WeakPolarHBondContact CD1-OD1 3.42Å; Y114-N122 VanDerWaalsContact CE1-OD1 3.27Å; Y114-N122 WeakPolarHBondContact CE1-OD1 3.27Å
115	V	83.9	Confident	69.7	Low	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	95.1	174.8	-172.1	0	0	0	0	109.2	F72 K73 L74 S117 H118 N120 A121 V123 I135	F72-V115 HydrophobicContact CD1-CG1 4.11Å; K73-V115 CarbonylContact O-C 3.47Å; K73-V115 WeakPolarHBondContact O-CA 3.18Å; L74-V115 HydrophobicContact CD2-CB 3.93Å; L74-V115 HydrophobicContact CD2-CG1 3.95Å; L74-V115 HydrophobicContact CD2-CG2 3.3Å; V115-S117 PolarHBondContact O-N 3.43Å; V115-H118 HydrophobicContact CG1-CB 4Å; V115-H118 CarbonylContact O-C 3.49Å; V115-H118 PolarHBondContact O-N 2.82Å; V115-H118 VanDerWaalsContact O-N 3.12Å; V115-N120 VanDerWaalsContact O-CA 3.25Å; V115-N120 WeakPolarHBondContact O-CA 3.38Å; V115-N120 PolarHBondContact O-N 2.8Å; V115-A121 HydrophobicContact CB-CB 4.02Å; V115-A121 HydrophobicContact CG2-CB 4.1Å; V115-A121 WeakPolarHBondContact CG2-O 3.45Å; V115-A121 PolarHBondContact N-O 2.8Å; V115-V123 HydrophobicContact CG2-CB 4.16Å; V115-V123 HydrophobicContact CG2-CG1 4.42Å; V115-I135 HydrophobicContact CG2-CG2 3.44Å; V115-I135 VanDerWaalsContact CG2-CG2 3.44Å
116	L	82.4	Confident	70.8	Confident	60 Å²	60	51.3 Å²	51.3	31%	0.314	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.4	-179.3	-57.7	178.4	0	0	0	113.2	V62 K73 R75 Y114 N120	V62-L116 HydrophobicContact CG1-CD1 4.33Å; V62-L116 HydrophobicContact CG2-CD1 4.28Å; K73-L116 HydrophobicContact CB-CB 4.2Å; K73-L116 WeakPolarHBondContact O-CB 3.05Å; K73-L116 PolarHBondContact O-N 2.89Å; R75-L116 HydrophobicContact CB-CD1 4.21Å; R75-L116 HydrophobicContact CB-CD2 4.32Å; R75-L116 HydrophobicContact CB-CG 4.25Å; Y114-L116 PolarHBondContact O-N 3.26Å; L116-N120 WeakPolarHBondContact CD2-OD1 3.48Å
117	S	81.5	Confident	72	Confident	51 Å²	51	46.7 Å²	46.7	36%	0.357	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.8	179.5	52.8	0	0	0	0	114.6	T71 F72 K73 V115	T71-S117 WeakPolarHBondContact O-CB 3.49Å; T71-S117 PolarHBondContact O-OG 3.1Å; F72-S117 WeakPolarHBondContact CA-OG 3.36Å; K73-S117 PolarHBondContact N-OG 3.41Å; V115-S117 PolarHBondContact O-N 3.43Å
118	H	78	Confident	72.7	Confident	51 Å²	51	39.8 Å²	39.8	24%	0.236	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	67	-174.7	-65.2	79.3	0	0	0	110.4	E70 F72 V115 N120 A121 L137	E70-H118 IonicContact OE2-NE2 3.8Å; E70-H118 PolarHBondContact OE2-NE2 3.47Å; F72-H118 AromaticContact CD1-CE1 3.68Å; F72-H118 AromaticContact CD1-ND1 3.73Å; F72-H118 AromaticContact CE1-CE1 3.37Å; F72-H118 WeakPolarHBondContact CE1-CE1 3.36Å; F72-H118 AromaticContact CE1-ND1 3.72Å; F72-H118 AromaticContact CE1-NE2 3.88Å; V115-H118 HydrophobicContact CG1-CB 4Å; V115-H118 CarbonylContact O-C 3.49Å; V115-H118 PolarHBondContact O-N 2.82Å; V115-H118 VanDerWaalsContact O-N 3.12Å; H118-N120 PolarHBondContact O-N 3.47Å; H118-A121 HydrophobicContact CB-CB 4.49Å; H118-A121 VanDerWaalsContact O-CB 3.32Å; H118-A121 WeakPolarHBondContact O-CB 3.18Å; H118-A121 PolarHBondContact O-N 3.41Å; H118-L137 HydrophobicContact CB-CD2 3.5Å; H118-L137 VanDerWaalsContact CB-CD2 3.5Å
119	Q	77.7	Confident	73	Confident	171 Å²	171	38.3 Å²	38.3	80%	0.799	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	32	174.6	-53.1	-170.3	24.4	0	0	115.4	A121	Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 3.48Å
120	N	74.5	Confident	73.3	Confident	88 Å²	88	40.2 Å²	40.2	47%	0.471	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	35.3	-176	-65.1	-29.2	0	0	0	114.1	Y114 V115 L116 H118	Y114-N120 HydrophobicContact CD1-CB 4.43Å; Y114-N120 WeakPolarHBondContact CD1-O 3.31Å; Y114-N120 HydrophobicContact CG-CB 4.41Å; V115-N120 VanDerWaalsContact O-CA 3.25Å; V115-N120 WeakPolarHBondContact O-CA 3.38Å; V115-N120 PolarHBondContact O-N 2.8Å; L116-N120 WeakPolarHBondContact CD2-OD1 3.48Å; H118-N120 PolarHBondContact O-N 3.47Å
121	A	74.6	Confident	73.8	Confident	12 Å²	12	38.5 Å²	38.5	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.9	145.6	167.7	0	0	0	0	0	112.5	Y114 V115 H118 Q119 A136 L137	Y114-A121 CarbonylContact C-O 3.31Å; Y114-A121 WeakPolarHBondContact CA-O 3.37Å; V115-A121 HydrophobicContact CB-CB 4.02Å; V115-A121 HydrophobicContact CG2-CB 4.1Å; V115-A121 WeakPolarHBondContact CG2-O 3.45Å; V115-A121 PolarHBondContact N-O 2.8Å; H118-A121 HydrophobicContact CB-CB 4.49Å; H118-A121 VanDerWaalsContact O-CB 3.32Å; H118-A121 WeakPolarHBondContact O-CB 3.18Å; H118-A121 PolarHBondContact O-N 3.41Å; Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 3.48Å; A121-A136 WeakPolarHBondContact CB-O 3.36Å; A121-L137 HydrophobicContact CB-CD2 3.67Å
122	N	73.6	Confident	73.7	Confident	36 Å²	36	40.4 Å²	40.4	19%	0.193	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	140.6	-173.3	-71	-40.2	0	0	0	111.6	I23 Y114 A136	I23-N122 HydrophobicContact CD1-CB 4.12Å; I23-N122 VanDerWaalsContact CD1-O 3.26Å; I23-N122 WeakPolarHBondContact CD1-O 2.93Å; I23-N122 HydrophobicContact CG1-CB 3.67Å; Y114-N122 WeakPolarHBondContact CD1-OD1 3.42Å; Y114-N122 VanDerWaalsContact CE1-OD1 3.27Å; Y114-N122 WeakPolarHBondContact CE1-OD1 3.27Å; N122-A136 PolarHBondContact O-N 3.19Å
123	V	80.1	Confident	73.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.5	176.4	60.4	0	0	0	0	112	L74 L76 H112 G113 V115 L125 I134 I135	L74-V123 HydrophobicContact CB-CG1 4.45Å; L74-V123 HydrophobicContact CD1-CG2 3.86Å; L74-V123 HydrophobicContact CD2-CB 4.24Å; L74-V123 HydrophobicContact CD2-CG1 4.09Å; L74-V123 HydrophobicContact CD2-CG2 4.22Å; L76-V123 HydrophobicContact CD2-CG1 3.63Å; L76-V123 HydrophobicContact CD2-CG2 4.46Å; H112-V123 CarbonylContact C-O 3.39Å; H112-V123 WeakPolarHBondContact CA-O 3.31Å; G113-V123 PolarHBondContact N-O 3.3Å; G113-V123 VanDerWaalsContact O-CG1 3.32Å; G113-V123 WeakPolarHBondContact O-CG1 2.98Å; G113-V123 PolarHBondContact O-N 3.43Å; V115-V123 HydrophobicContact CG2-CB 4.16Å; V115-V123 HydrophobicContact CG2-CG1 4.42Å; V123-L125 HydrophobicContact CG2-CD2 3.9Å; V123-L125 HydrophobicContact CG2-CG 3.95Å; V123-I134 WeakPolarHBondContact CA-O 3.44Å; V123-I135 HydrophobicContact CB-CG1 4.13Å; V123-I135 HydrophobicContact CG2-CG1 3.58Å
124	A	71.6	Confident	73.2	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127	170.4	0	0	0	0	0	111.2	I23 F111 G133 I134	I23-A124 HydrophobicContact CB-CB 3.69Å; I23-A124 HydrophobicContact CG2-CB 4.19Å; I23-A124 WeakPolarHBondContact O-CB 3.01Å; F111-A124 WeakPolarHBondContact O-CA 3.35Å; A124-G133 CarbonylContact O-C 3.54Å; A124-G133 WeakPolarHBondContact O-CA 3.19Å; A124-I134 PolarHBondContact N-O 3.28Å; A124-I134 PolarHBondContact O-N 2.91Å
125	L	73.6	Confident	73.2	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.6	-177.9	-55	-177.5	0	0	0	110.6	L74 L76 F111 V123 M127 I131 R132 I144	L74-L125 HydrophobicContact CD1-CD1 3.97Å; L76-L125 HydrophobicContact CD1-CD1 3.66Å; L76-L125 HydrophobicContact CD2-CD1 4.44Å; F111-L125 PolarHBondContact N-O 3.42Å; F111-L125 PolarHBondContact O-N 3.21Å; V123-L125 HydrophobicContact CG2-CD2 3.9Å; V123-L125 HydrophobicContact CG2-CG 3.95Å; L125-M127 HydrophobicContact CB-CE 4.24Å; L125-M127 HydrophobicContact CD1-CE 3.68Å; L125-I131 HydrophobicContact CD1-CG2 4.41Å; L125-R132 CarbonylContact C-O 3.55Å; L125-R132 WeakPolarHBondContact CA-O 3.1Å; L125-I144 HydrophobicContact CD2-CD1 3.95Å
126	S	63.8	Low	72.8	Confident	5 Å²	5	35.1 Å²	35.1	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.5	165.5	-179.4	0	0	0	0	108.8	H110 C128 R132	H110-S126 PolarHBondContact CE1-OG 3.37Å; H110-S126 VanDerWaalsContact CE1-OG 3.23Å; H110-S126 PolarHBondContact ND1-OG 3.05Å; S126-C128 PolarHBondContact OG-SG 3.16Å; S126-R132 PolarHBondContact N-O 3.33Å; S126-R132 PolarHBondContact O-N 3.18Å
127	M	66.9	Low	72.7	Confident	23 Å²	23	32.8 Å²	32.8	11%	0.113	19%	0.186	C	C	.	.			trans	-117	27.7	-176.8	-56	-172	170	0	0	111.4	F51 L76 C109 F111 L125 G129 I131	F51-M127 HydrophobicContact CB-CE 3.93Å; F51-M127 HydrophobicContact CB-SD 4.02Å; F51-M127 HydrophobicContact CD1-CE 3.85Å; F51-M127 HydrophobicContact CD1-SD 3.19Å; F51-M127 WeakPolarHBondContact CD1-SD 3.36Å; F51-M127 HydrophobicContact CD2-CE 3.89Å; F51-M127 HydrophobicContact CD2-SD 4.34Å; F51-M127 HydrophobicContact CE1-CE 4.27Å; F51-M127 HydrophobicContact CE1-SD 3.58Å; F51-M127 VanDerWaalsContact CE1-SD 3.58Å; F51-M127 HydrophobicContact CE2-CE 4.34Å; F51-M127 HydrophobicContact CG-CE 3.61Å; F51-M127 HydrophobicContact CG-SD 3.6Å; F51-M127 HydrophobicContact CZ-SD 4.32Å; L76-M127 HydrophobicContact CD1-CE 4.32Å; C109-M127 HydrophobicContact CB-CB 4.4Å; C109-M127 PolarHBondContact O-N 2.88Å; F111-M127 HydrophobicContact CD2-CB 4.46Å; F111-M127 HydrophobicContact CD2-CE 4.38Å; F111-M127 HydrophobicContact CD2-CG 3.91Å; F111-M127 HydrophobicContact CD2-SD 3.79Å; F111-M127 HydrophobicContact CE2-CB 4.14Å; F111-M127 HydrophobicContact CE2-CG 3.98Å; F111-M127 HydrophobicContact CE2-SD 3.65Å; L125-M127 HydrophobicContact CB-CE 4.24Å; L125-M127 HydrophobicContact CD1-CE 3.68Å; M127-G129 PolarHBondContact O-N 3.02Å; M127-I131 HydrophobicContact CE-CD1 4.32Å; M127-I131 HydrophobicContact CE-CG1 4.38Å; M127-I131 HydrophobicContact CE-CG2 4.42Å; M127-I131 HydrophobicContact CG-CG1 4.27Å
128	C	57.3	Low	72.1	Confident	38 Å²	38	36.2 Å²	36.2	26%	0.257	20%	0.201	S	C	.	.	S	Bend	trans	-79	59.4	-176.2	-49	0	0	0	0	110.8	C109 H110 S126	C109-C128 HydrophobicContact CB-CB 4.01Å; C109-C128 WeakPolarHBondContact CB-SG 2.98Å; C109-C128 VanDerWaalsContact SG-CA 3.52Å; C109-C128 WeakPolarHBondContact SG-CB 3.27Å; C109-C128 CovalentContact SG-SG 2.03Å; C109-C128 PolarHBondContact SG-SG 3.42Å; H110-C128 PolarHBondContact CE1-SG 2.8Å; S126-C128 PolarHBondContact OG-SG 3.16Å
129	G	61.8	Low	71.6	Confident	57 Å²	57	38.3 Å²	38.3	59%	0.588	21%	0.214	S	C	*	.	S	Bend	trans	121.5	-113.1	-163.5	0	0	0	0	0	108.8	M127	M127-G129 PolarHBondContact O-N 3.02Å
130	F	66.6	Low	71.4	Confident	51 Å²	51	30.5 Å²	30.5	22%	0.224	18%	0.177	C	C	.	.	S	Bend	trans	-85.4	151.2	172.9	-52.9	-70.2	0	0	0	112.5	R132 P146 Y148 P155 H163	F130-R132 PolarHBondContact O-N 2.8Å; F130-R132 PolarHBondContact O-NH1 2.86Å; F130-P146 HydrophobicContact CB-CB 3.69Å; F130-P146 HydrophobicContact CB-CG 3.86Å; F130-P146 HydrophobicContact CD2-CB 4.27Å; F130-P146 HydrophobicContact CD2-CG 4.39Å; F130-P146 HydrophobicContact CG-CB 3.99Å; F130-P146 HydrophobicContact CG-CG 4.38Å; F130-Y148 HydrophobicContact CE2-CE1 4.42Å; F130-P155 HydrophobicContact CZ-CG 4.17Å; F130-H163 HydrophobicContact CD1-CB 3.92Å; F130-H163 AromaticContact CD1-CD2 3.6Å; F130-H163 AromaticContact CD1-CG 3.77Å; F130-H163 HydrophobicContact CE1-CB 3.87Å; F130-H163 AromaticContact CE1-CD2 3.2Å; F130-H163 WeakPolarHBondContact CE1-CD2 3.29Å; F130-H163 AromaticContact CE1-CE1 3.84Å; F130-H163 AromaticContact CE1-CG 3.3Å; F130-H163 AromaticContact CE1-ND1 3.7Å; F130-H163 AromaticContact CE1-NE2 3.55Å; F130-H163 AromaticContact CZ-CD2 3.55Å; F130-H163 AromaticContact CZ-CE1 3.84Å; F130-H163 AromaticContact CZ-NE2 3.4Å; F130-H163 WeakPolarHBondContact CZ-NE2 3.26Å
131	I	72.3	Confident	71.3	Confident	12 Å²	12	28.2 Å²	28.2	6%	0.062	16%	0.163	C	C	.	.			trans	-63	124	175.1	-54.6	178.1	0	0	0	109.7	L49 F51 L125 M127 I144 H165	L49-I131 HydrophobicContact CB-CD1 4.32Å; L49-I131 HydrophobicContact CD2-CB 4.46Å; L49-I131 HydrophobicContact CD2-CD1 3.65Å; L49-I131 HydrophobicContact CD2-CG2 4.09Å; L49-I131 VanDerWaalsContact O-CD1 3.26Å; L49-I131 WeakPolarHBondContact O-CD1 3.33Å; F51-I131 HydrophobicContact CB-CD1 3.9Å; L125-I131 HydrophobicContact CD1-CG2 4.41Å; M127-I131 HydrophobicContact CE-CD1 4.32Å; M127-I131 HydrophobicContact CE-CG1 4.38Å; M127-I131 HydrophobicContact CE-CG2 4.42Å; M127-I131 HydrophobicContact CG-CG1 4.27Å; I131-I144 HydrophobicContact CG2-CG2 4.29Å; I131-H165 PolarHBondContact O-CD2 2.02Å; I131-H165 VanDerWaalsContact O-CD2 3.29Å
132	R	69.1	Low	71.6	Confident	48 Å²	48	27.7 Å²	27.7	18%	0.181	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.8	174.3	-67.4	178.6	-165.3	89.7	-8.7	108.7	L125 S126 F130 I144 P146 Y148	L125-R132 CarbonylContact C-O 3.55Å; L125-R132 WeakPolarHBondContact CA-O 3.1Å; S126-R132 PolarHBondContact N-O 3.33Å; S126-R132 PolarHBondContact O-N 3.18Å; F130-R132 PolarHBondContact O-N 2.8Å; F130-R132 PolarHBondContact O-NH1 2.86Å; R132-I144 WeakPolarHBondContact CA-O 3.49Å; R132-P146 VanDerWaalsContact CG-CD 3.43Å; R132-P146 HydrophobicContact CG-CG 4.19Å; R132-Y148 PolarHBondContact NH2-OH 2.03Å
133	G	74	Confident	71.6	Confident	3 Å²	3	27.2 Å²	27.2	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	170.9	-168	0	0	0	0	0	115.8	A124 I144	A124-G133 CarbonylContact O-C 3.54Å; A124-G133 WeakPolarHBondContact O-CA 3.19Å; G133-I144 PolarHBondContact N-O 2.93Å; G133-I144 VanDerWaalsContact N-O 3.07Å; G133-I144 PolarHBondContact O-N 3.16Å
134	I	72.5	Confident	71.6	Confident	11 Å²	11	27.3 Å²	27.3	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.8	169.1	-168.5	169.5	0	0	0	110.7	V16 I23 V123 A124 F141 L142 I143	V16-I134 HydrophobicContact CG1-CD1 3.95Å; V16-I134 HydrophobicContact CG1-CG2 4.22Å; V16-I134 HydrophobicContact CG2-CD1 3.93Å; I23-I134 HydrophobicContact CB-CG2 4.18Å; I23-I134 HydrophobicContact CD1-CG2 3.93Å; I23-I134 HydrophobicContact CG2-CG2 3.45Å; I23-I134 VanDerWaalsContact CG2-CG2 3.45Å; V123-I134 WeakPolarHBondContact CA-O 3.44Å; A124-I134 PolarHBondContact N-O 3.28Å; A124-I134 PolarHBondContact O-N 2.91Å; I134-F141 HydrophobicContact CD1-CB 4.29Å; I134-F141 HydrophobicContact CD1-CD1 3.95Å; I134-F141 HydrophobicContact CD1-CG 4.39Å; I134-F141 HydrophobicContact CG1-CB 4.48Å; I134-F141 HydrophobicContact CG1-CD1 4.4Å; I134-L142 CarbonylContact C-O 3.54Å; I134-L142 VanDerWaalsContact CA-O 3.31Å; I134-L142 WeakPolarHBondContact CA-O 3.39Å; I134-L142 WeakPolarHBondContact CG1-O 3.23Å; I134-I143 HydrophobicContact CD1-CG1 4.31Å; I134-I143 HydrophobicContact CG1-CG1 4.35Å
135	I	81.7	Confident	71.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.5	170.2	-61.3	163.2	0	0	0	106.8	F65 L74 V115 V123 L137 F141 L142 I144	F65-I135 HydrophobicContact CE1-CD1 3.75Å; F65-I135 HydrophobicContact CZ-CD1 3.5Å; L74-I135 HydrophobicContact CD1-CD1 4.37Å; L74-I135 HydrophobicContact CD2-CD1 4.17Å; L74-I135 HydrophobicContact CD2-CG1 4.42Å; V115-I135 HydrophobicContact CG2-CG2 3.44Å; V115-I135 VanDerWaalsContact CG2-CG2 3.44Å; V123-I135 HydrophobicContact CB-CG1 4.13Å; V123-I135 HydrophobicContact CG2-CG1 3.58Å; I135-L137 HydrophobicContact CG2-CD2 3.95Å; I135-L137 HydrophobicContact CG2-CG 4.05Å; I135-F141 WeakPolarHBondContact O-CA 3.25Å; I135-L142 HydrophobicContact CB-CB 4.17Å; I135-L142 HydrophobicContact CD1-CD1 4.37Å; I135-L142 PolarHBondContact N-O 3.3Å; I135-L142 PolarHBondContact O-N 3.43Å; I135-I144 HydrophobicContact CD1-CD1 4.11Å
136	A	75.7	Confident	71.1	Confident	15 Å²	15	28 Å²	28	12%	0.124	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.6	175.7	0	0	0	0	0	110.4	L18 I23 A121 N122 F141	L18-A136 HydrophobicContact CD2-CB 4.12Å; I23-A136 HydrophobicContact CD1-CB 3.39Å; A121-A136 WeakPolarHBondContact CB-O 3.36Å; N122-A136 PolarHBondContact O-N 3.19Å; A136-F141 HydrophobicContact CB-CD1 3.56Å; A136-F141 HydrophobicContact CB-CE1 3.45Å; A136-F141 VanDerWaalsContact CB-CE1 3.45Å
137	L	79.6	Confident	71	Confident	11 Å²	11	31 Å²	31	6%	0.058	17%	0.174	C	C	.	.			trans	-100.2	170.4	174.1	-54.3	165.4	0	0	0	109.3	F72 H118 A121 I135 D139 H140 L142	F72-L137 HydrophobicContact CE1-CD1 3.9Å; H118-L137 HydrophobicContact CB-CD2 3.5Å; H118-L137 VanDerWaalsContact CB-CD2 3.5Å; A121-L137 HydrophobicContact CB-CD2 3.67Å; I135-L137 HydrophobicContact CG2-CD2 3.95Å; I135-L137 HydrophobicContact CG2-CG 4.05Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 2.91Å; L137-H140 CarbonylContact C-O 3.41Å; L137-H140 WeakPolarHBondContact CA-O 3.43Å; L137-H140 VanDerWaalsContact CB-O 3.31Å; L137-H140 WeakPolarHBondContact CB-O 3.37Å; L137-H140 VanDerWaalsContact CD1-CE1 3.41Å; L137-H140 WeakPolarHBondContact CD1-CE1 3.16Å; L137-H140 VanDerWaalsContact CD1-NE2 3.29Å; L137-H140 WeakPolarHBondContact CD1-NE2 3.07Å; L137-H140 PolarHBondContact N-O 3.09Å; L137-L142 HydrophobicContact CD1-CD1 3.87Å; L137-L142 HydrophobicContact CD1-CG 4.13Å
138	D	68.9	Low	70.4	Confident	123 Å²	123	34.8 Å²	34.8	66%	0.658	19%	0.187	S	C	*	.	S	Bend	trans	-67	-28	-172.2	-62.2	-36	0	0	0	113.9	L172	D138-L172 WeakPolarHBondContact O-CD1 3.03Å
139	D	67.5	Low	70.2	Confident	96 Å²	96	40.4 Å²	40.4	51%	0.513	21%	0.21	S	C	.	.	S	Bend	trans	-117.3	-14.8	-174.5	68.5	-41.3	0	0	0	113.5	L137 L172	L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 2.91Å; D139-L172 WeakPolarHBondContact O-CB 3.05Å; D139-L172 PolarHBondContact O-N 2.96Å
140	H	73.8	Confident	69.3	Low	6 Å²	6	46 Å²	46	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	165.9	179.5	64.8	-79.8	0	0	0	113.5	L137 K169 R170	L137-H140 CarbonylContact C-O 3.41Å; L137-H140 WeakPolarHBondContact CA-O 3.43Å; L137-H140 VanDerWaalsContact CB-O 3.31Å; L137-H140 WeakPolarHBondContact CB-O 3.37Å; L137-H140 VanDerWaalsContact CD1-CE1 3.41Å; L137-H140 WeakPolarHBondContact CD1-CE1 3.16Å; L137-H140 VanDerWaalsContact CD1-NE2 3.29Å; L137-H140 WeakPolarHBondContact CD1-NE2 3.07Å; L137-H140 PolarHBondContact N-O 3.09Å; H140-K169 HydrophobicContact CB-CG 4.39Å; H140-K169 WeakPolarHBondContact CD2-CE 3.41Å; H140-K169 VanDerWaalsContact CD2-CG 3.49Å; H140-K169 WeakPolarHBondContact CD2-CG 3.08Å; H140-K169 PolarHBondContact CE1-NZ 2.79Å; H140-K169 VanDerWaalsContact CE1-NZ 3.26Å; H140-K169 WeakPolarHBondContact NE2-CE 3.34Å; H140-K169 PolarHBondContact NE2-NZ 2.82Å; H140-R170 CarbonylContact C-O 3.47Å; H140-R170 WeakPolarHBondContact CA-O 3.37Å; H140-R170 WeakPolarHBondContact CB-O 3.4Å
141	F	72.8	Confident	68	Low	41 Å²	41	47.6 Å²	47.6	18%	0.18	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	144.4	168.2	-60.2	-87.9	0	0	0	110.4	L18 I134 I135 A136 K169 R170 L172	L18-F141 HydrophobicContact CD1-CE1 4.26Å; L18-F141 HydrophobicContact CD1-CZ 4.26Å; L18-F141 HydrophobicContact CD2-CE1 4.2Å; I134-F141 HydrophobicContact CD1-CB 4.29Å; I134-F141 HydrophobicContact CD1-CD1 3.95Å; I134-F141 HydrophobicContact CD1-CG 4.39Å; I134-F141 HydrophobicContact CG1-CB 4.48Å; I134-F141 HydrophobicContact CG1-CD1 4.4Å; I135-F141 WeakPolarHBondContact O-CA 3.25Å; A136-F141 HydrophobicContact CB-CD1 3.56Å; A136-F141 HydrophobicContact CB-CE1 3.45Å; A136-F141 VanDerWaalsContact CB-CE1 3.45Å; F141-K169 WeakPolarHBondContact O-CA 3.13Å; F141-R170 PolarHBondContact N-O 3.37Å; F141-R170 PolarHBondContact O-N 3.38Å; F141-L172 HydrophobicContact CD2-CD2 4.47Å; F141-L172 HydrophobicContact CE2-CD2 3.6Å; F141-L172 HydrophobicContact CE2-CG 4.16Å; F141-L172 HydrophobicContact CZ-CD2 4.25Å
142	L	79.9	Confident	66.4	Low	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.7	166.1	-56.5	169.7	0	0	0	109.6	F68 F72 I134 I135 L137 I167 F168 K169	F68-L142 HydrophobicContact CD2-CD2 4Å; F68-L142 HydrophobicContact CE2-CD2 3.79Å; F72-L142 HydrophobicContact CD1-CD1 4.1Å; F72-L142 HydrophobicContact CD2-CD1 4.42Å; F72-L142 HydrophobicContact CE1-CD1 3.47Å; F72-L142 VanDerWaalsContact CE1-CD1 3.47Å; F72-L142 HydrophobicContact CE2-CD1 3.83Å; F72-L142 HydrophobicContact CZ-CD1 3.33Å; I134-L142 CarbonylContact C-O 3.54Å; I134-L142 VanDerWaalsContact CA-O 3.31Å; I134-L142 WeakPolarHBondContact CA-O 3.39Å; I134-L142 WeakPolarHBondContact CG1-O 3.23Å; I135-L142 HydrophobicContact CB-CB 4.17Å; I135-L142 HydrophobicContact CD1-CD1 4.37Å; I135-L142 PolarHBondContact N-O 3.3Å; I135-L142 PolarHBondContact O-N 3.43Å; L137-L142 HydrophobicContact CD1-CD1 3.87Å; L137-L142 HydrophobicContact CD1-CG 4.13Å; L142-I167 HydrophobicContact CB-CG2 4.11Å; L142-I167 HydrophobicContact CD2-CG2 4.33Å; L142-F168 CarbonylContact C-O 3.29Å; L142-F168 VanDerWaalsContact CA-O 3.28Å; L142-F168 WeakPolarHBondContact CA-O 3.26Å; L142-K169 HydrophobicContact CD2-CB 3.91Å; L142-K169 HydrophobicContact CD2-CD 4.33Å; L142-K169 HydrophobicContact CD2-CG 4.27Å
143	I	74.7	Confident	65	Low	26 Å²	26	59.8 Å²	59.8	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.1	178.2	-56.8	174	0	0	0	108.1	F14 I134 I167 F168	F14-I143 HydrophobicContact CZ-CG2 4.17Å; I134-I143 HydrophobicContact CD1-CG1 4.31Å; I134-I143 HydrophobicContact CG1-CG1 4.35Å; I143-I167 WeakPolarHBondContact O-CA 3.23Å; I143-F168 HydrophobicContact CB-CB 4.49Å; I143-F168 PolarHBondContact N-O 3.41Å; I143-F168 PolarHBondContact O-N 2.74Å
144	I	80.3	Confident	63.3	Low	2 Å²	2	65 Å²	65	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.8	-178.2	-57.5	169.5	0	0	0	108.7	L49 F65 L125 I131 R132 G133 I135 H165 I167	L49-I144 HydrophobicContact CD1-CG2 4.31Å; F65-I144 HydrophobicContact CE1-CD1 4.44Å; F65-I144 HydrophobicContact CZ-CD1 4.21Å; L125-I144 HydrophobicContact CD2-CD1 3.95Å; I131-I144 HydrophobicContact CG2-CG2 4.29Å; R132-I144 WeakPolarHBondContact CA-O 3.49Å; G133-I144 PolarHBondContact N-O 2.93Å; G133-I144 VanDerWaalsContact N-O 3.07Å; G133-I144 PolarHBondContact O-N 3.16Å; I135-I144 HydrophobicContact CD1-CD1 4.11Å; I144-H165 HydrophobicContact CG2-CB 4.44Å; I144-I167 HydrophobicContact CG1-CD1 4.31Å; I144-I167 HydrophobicContact CG1-CG1 4.26Å; I144-I167 HydrophobicContact CG1-CG2 4.37Å
145	N	64.1	Low	61.7	Low	18 Å²	18	67.4 Å²	67.4	10%	0.096	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.9	-179.1	-155.9	33	0	0	0	110.8	H165 L166 F168	N145-H165 CarbonylContact O-C 3.4Å; N145-H165 WeakPolarHBondContact O-CA 3.02Å; N145-L166 PolarHBondContact N-O 2.9Å; N145-L166 PolarHBondContact O-N 3.49Å; N145-F168 HydrophobicContact CB-CE2 4.5Å
146	P	68.9	Low	59.7	Low	3 Å²	3	71.4 Å²	71.4	2%	0.019	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.5	172.3	27.7	-36	0	0	0	111.1	F130 R132 Y148	F130-P146 HydrophobicContact CB-CB 3.69Å; F130-P146 HydrophobicContact CB-CG 3.86Å; F130-P146 HydrophobicContact CD2-CB 4.27Å; F130-P146 HydrophobicContact CD2-CG 4.39Å; F130-P146 HydrophobicContact CG-CB 3.99Å; F130-P146 HydrophobicContact CG-CG 4.38Å; R132-P146 VanDerWaalsContact CG-CD 3.43Å; R132-P146 HydrophobicContact CG-CG 4.19Å; P146-Y148 HydrophobicContact CG-CE2 3.92Å
147	Q	62.1	Low	58.1	Low	68 Å²	68	76 Å²	76	32%	0.318	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-84.5	122.6	169.4	-169.6	175.8	-1	0	0	108.9	K164 L166	Q147-K164 HydrophobicContact CB-CB 4.3Å; Q147-K164 WeakPolarHBondContact CB-O 3.43Å; Q147-K164 PolarHBondContact N-O 2.79Å; Q147-L166 HydrophobicContact CB-CD1 3.83Å; Q147-L166 HydrophobicContact CG-CD1 3.69Å
148	Y	55.6	Low	56.2	Low	101 Å²	101	82.8 Å²	82.8	40%	0.396	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-94.1	117.2	173.5	-64.4	-86.3	0	0	0	108.8	P32 F130 R132 P146	P32-Y148 HydrophobicContact CB-CD2 4.34Å; P32-Y148 HydrophobicContact CB-CE2 4.19Å; F130-Y148 HydrophobicContact CE2-CE1 4.42Å; R132-Y148 PolarHBondContact NH2-OH 2.03Å; P146-Y148 HydrophobicContact CG-CE2 3.92Å
149	E	52.5	Low	55	Low	157 Å²	157	79.9 Å²	79.9	73%	0.734	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-64.5	143.6	160.9	-78	175.9	171.5	0	0	108.3	S151	E149-S151 PolarHBondContact O-N 3.34Å
150	N	43.4	Very low	53.6	Low	174 Å²	174	85 Å²	85	93%	0.93	47%	0.472	S	S	*	.	S	Bend	trans	-59	24.3	-169.8	-82.2	-30.1	0	0	0	117
151	S	39.2	Very low	52.1	Low	84 Å²	84	86.7 Å²	86.7	59%	0.587	49%	0.491	S	S	*	.			trans	-82	118.9	173.6	-29.8	0	0	0	0	109.9	E149 Q153	E149-S151 PolarHBondContact O-N 3.34Å; S151-Q153 PolarHBondContact O-N 2.82Å
152	V	38.6	Very low	51	Low	153 Å²	153	88.8 Å²	88.8	93%	0.927	51%	0.507	S	S	*	.	S	Bend	trans	-62.8	-0.8	176.8	177.1	0	0	0	0	113.3
153	Q	39.7	Very low	50	Low	163 Å²	163	91.1 Å²	91.1	76%	0.762	52%	0.518	S	S	*	.	S	Bend	trans	-110.7	126.3	175.3	-80.2	-177.7	-19.5	0	0	111.6	S151	S151-Q153 PolarHBondContact O-N 2.82Å
154	P	37.8	Very low	49.7	Very low	114 Å²	114	93.9 Å²	93.9	74%	0.74	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-61.4	127.5	168.5	24.6	-30	0	0	0	108.9
155	P	39.5	Very low	49.5	Very low	61 Å²	61	94.1 Å²	94.1	40%	0.396	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-62.2	145.2	178	22.8	-29.4	0	0	0	110.3	F130	F130-P155 HydrophobicContact CZ-CG 4.17Å
156	S	40	Very low	50	Low	84 Å²	84	94 Å²	94	59%	0.587	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.2	147.8	-177.6	59.7	0	0	0	0	111.5	D158 S159	S156-D158 PolarHBondContact O-N 3.27Å; S156-S159 WeakPolarHBondContact O-CB 3.39Å; S156-S159 PolarHBondContact O-N 2.89Å; S156-S159 PolarHBondContact O-OG 2.92Å
157	A	40.9	Very low	50.5	Low	112 Å²	112	93.9 Å²	93.9	93%	0.926	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.6	-176.9	0	0	0	0	0	114.6	S159	A157-S159 VanDerWaalsContact C-N 3.32Å
158	D	40.5	Very low	51.1	Low	152 Å²	152	91.2 Å²	91.2	81%	0.813	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.1	177.7	-78.9	-31.3	0	0	0	114.1	S156 K160	S156-D158 PolarHBondContact O-N 3.27Å; D158-K160 PolarHBondContact O-N 3.1Å
159	S	42.5	Very low	51.9	Low	63 Å²	63	88.5 Å²	88.5	44%	0.441	51%	0.507	S	S	.	.			trans	-71	90.6	175.2	-47.7	0	0	0	0	109.5	S156 A157 G161	S156-S159 WeakPolarHBondContact O-CB 3.39Å; S156-S159 PolarHBondContact O-N 2.89Å; S156-S159 PolarHBondContact O-OG 2.92Å; A157-S159 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 3.15Å
160	K	39.7	Very low	52.2	Low	202 Å²	202	87.7 Å²	87.7	88%	0.878	50%	0.497	S	S	*	.			trans	-62.4	13.8	167.6	-72.1	-177.7	176.9	177.1	0	113.8	D158	D158-K160 PolarHBondContact O-N 3.1Å
161	G	41.2	Very low	53.1	Low	43 Å²	43	83.8 Å²	83.8	44%	0.443	48%	0.483	S	S	.	.			trans	-77	132.7	-179.6	0	0	0	0	0	111.1	S159 H163	S159-G161 PolarHBondContact O-N 3.15Å; G161-H163 PolarHBondContact O-N 2.78Å
162	T	50.6	Low	53.6	Low	84 Å²	84	83.4 Å²	83.4	52%	0.515	47%	0.474	S	S	.	.			trans	-44.2	118.4	162.2	36.7	0	0	0	0	109.9	E48 F50	E48-T162 HydrophobicContact CG-CG2 4.26Å; F50-T162 HydrophobicContact CD2-CG2 4.27Å; F50-T162 HydrophobicContact CE2-CG2 3.68Å
163	H	57.9	Low	53.9	Low	50 Å²	50	81.9 Å²	81.9	23%	0.231	47%	0.467	C	S	.	.			trans	-100.2	132	171.1	-120.7	61	0	0	0	108	F130 G161 H165	F130-H163 HydrophobicContact CD1-CB 3.92Å; F130-H163 AromaticContact CD1-CD2 3.6Å; F130-H163 AromaticContact CD1-CG 3.77Å; F130-H163 HydrophobicContact CE1-CB 3.87Å; F130-H163 AromaticContact CE1-CD2 3.2Å; F130-H163 WeakPolarHBondContact CE1-CD2 3.29Å; F130-H163 AromaticContact CE1-CE1 3.84Å; F130-H163 AromaticContact CE1-CG 3.3Å; F130-H163 AromaticContact CE1-ND1 3.7Å; F130-H163 AromaticContact CE1-NE2 3.55Å; F130-H163 AromaticContact CZ-CD2 3.55Å; F130-H163 AromaticContact CZ-CE1 3.84Å; F130-H163 AromaticContact CZ-NE2 3.4Å; F130-H163 WeakPolarHBondContact CZ-NE2 3.26Å; G161-H163 PolarHBondContact O-N 2.78Å; H163-H165 PolarHBondContact O-CE1 2.9Å; H163-H165 PolarHBondContact O-ND1 3.45Å; H163-H165 VanDerWaalsContact O-ND1 3.14Å
164	K	69	Low	53.9	Low	84 Å²	84	79.6 Å²	79.6	37%	0.365	47%	0.469	S	S	.	.			trans	-75.2	138.3	177.7	-57.2	-169.3	-172.9	-162	0	110	V45 E47 Q147	V45-K164 HydrophobicContact CG1-CB 4.33Å; V45-K164 HydrophobicContact CG1-CD 4.35Å; E47-K164 HydrophobicContact CB-CG 4.48Å; E47-K164 HydrophobicContact CG-CD 4.06Å; E47-K164 HydrophobicContact CG-CG 4.12Å; E47-K164 WeakPolarHBondContact OE1-CE 3.46Å; E47-K164 IonicContact OE1-NZ 3.5Å; E47-K164 PolarHBondContact OE1-NZ 2.8Å; Q147-K164 HydrophobicContact CB-CB 4.3Å; Q147-K164 WeakPolarHBondContact CB-O 3.43Å; Q147-K164 PolarHBondContact N-O 2.79Å
165	H	75.4	Confident	53.6	Low	7 Å²	7	84.2 Å²	84.2	3%	0.032	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.4	173.6	-62.3	81.5	0	0	0	109.5	V46 L49 I131 I144 N145 H163	V46-H165 PolarHBondContact N-O 2.75Å; V46-H165 PolarHBondContact O-N 3.02Å; L49-H165 HydrophobicContact CB-CB 4.47Å; L49-H165 WeakPolarHBondContact CB-ND1 3.47Å; L49-H165 HydrophobicContact CD1-CB 4.05Å; I131-H165 PolarHBondContact O-CD2 2.02Å; I131-H165 VanDerWaalsContact O-CD2 3.29Å; I144-H165 HydrophobicContact CG2-CB 4.44Å; N145-H165 CarbonylContact O-C 3.4Å; N145-H165 WeakPolarHBondContact O-CA 3.02Å; H163-H165 PolarHBondContact O-CE1 2.9Å; H163-H165 PolarHBondContact O-ND1 3.45Å; H163-H165 VanDerWaalsContact O-ND1 3.14Å
166	L	75.2	Confident	53.4	Low	16 Å²	16	85.6 Å²	85.6	8%	0.084	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.4	167.7	-86.4	142.3	0	0	0	108.6	V45 N145 Q147 F168	V45-L166 HydrophobicContact CG2-CD2 3.84Å; V45-L166 HydrophobicContact CG2-CG 4.28Å; N145-L166 PolarHBondContact N-O 2.9Å; N145-L166 PolarHBondContact O-N 3.49Å; Q147-L166 HydrophobicContact CB-CD1 3.83Å; Q147-L166 HydrophobicContact CG-CD1 3.69Å; L166-F168 HydrophobicContact CB-CE2 3.85Å; L166-F168 HydrophobicContact CB-CZ 3.92Å; L166-F168 HydrophobicContact CD2-CE1 4.37Å; L166-F168 HydrophobicContact CD2-CZ 4.09Å; L166-F168 HydrophobicContact CG-CZ 4.44Å
167	I	79.4	Confident	53.1	Low	0 Å²	0	86.9 Å²	86.9	0%	0	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.1	174.8	-52.6	-173.8	0	0	0	108.3	S43 D44 V46 L49 F65 A67 F68 L142 I143 I144	S43-I167 CarbonylContact C-O 3.52Å; S43-I167 WeakPolarHBondContact CA-O 3.09Å; D44-I167 PolarHBondContact N-O 3.26Å; D44-I167 PolarHBondContact O-N 2.06Å; V46-I167 HydrophobicContact CB-CD1 4.3Å; V46-I167 HydrophobicContact CG2-CD1 3.54Å; V46-I167 HydrophobicContact CG2-CG1 4.11Å; L49-I167 HydrophobicContact CD1-CD1 3.81Å; L49-I167 HydrophobicContact CD1-CG1 4.5Å; F65-I167 HydrophobicContact CD2-CD1 3.86Å; F65-I167 HydrophobicContact CE2-CD1 3.44Å; F65-I167 VanDerWaalsContact CE2-CD1 3.44Å; F65-I167 HydrophobicContact CZ-CD1 4.35Å; A67-I167 HydrophobicContact CB-CD1 3.76Å; F68-I167 HydrophobicContact CE2-CB 4.32Å; F68-I167 HydrophobicContact CE2-CG2 3.96Å; F68-I167 VanDerWaalsContact CZ-O 3.28Å; F68-I167 WeakPolarHBondContact CZ-O 3.36Å; L142-I167 HydrophobicContact CB-CG2 4.11Å; L142-I167 HydrophobicContact CD2-CG2 4.33Å; I143-I167 WeakPolarHBondContact O-CA 3.23Å; I144-I167 HydrophobicContact CG1-CD1 4.31Å; I144-I167 HydrophobicContact CG1-CG1 4.26Å; I144-I167 HydrophobicContact CG1-CG2 4.37Å
168	F	74.6	Confident	52.6	Low	11 Å²	11	88.5 Å²	88.5	5%	0.048	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.8	179.7	-60.3	-79.7	0	0	0	111	F38 F41 L142 I143 N145 L166	F38-F168 HydrophobicContact CB-CD1 3.65Å; F38-F168 HydrophobicContact CB-CE1 3.45Å; F38-F168 VanDerWaalsContact CB-CE1 3.45Å; F38-F168 HydrophobicContact CB-CG 4.28Å; F38-F168 HydrophobicContact CB-CZ 3.93Å; F38-F168 HydrophobicContact CD1-CB 4.33Å; F38-F168 HydrophobicContact CD1-CD1 4.13Å; F38-F168 AromaticContact CD1-CD2 4Å; F38-F168 HydrophobicContact CD1-CD2 4Å; F38-F168 HydrophobicContact CD1-CE1 4.46Å; F38-F168 HydrophobicContact CD1-CE2 4.33Å; F38-F168 AromaticContact CD1-CG 3.88Å; F38-F168 HydrophobicContact CD1-CG 3.88Å; F38-F168 HydrophobicContact CD2-CD1 4.49Å; F38-F168 HydrophobicContact CD2-CD2 4.16Å; F38-F168 HydrophobicContact CD2-CE1 4.04Å; F38-F168 AromaticContact CD2-CE2 3.65Å; F38-F168 HydrophobicContact CD2-CE2 3.65Å; F38-F168 AromaticContact CD2-CZ 3.58Å; F38-F168 HydrophobicContact CD2-CZ 3.58Å; F38-F168 HydrophobicContact CE1-CD2 4.1Å; F38-F168 HydrophobicContact CE1-CE2 4.49Å; F38-F168 HydrophobicContact CE1-CG 4.36Å; F38-F168 HydrophobicContact CE2-CD2 4.25Å; F38-F168 AromaticContact CE2-CE2 3.83Å; F38-F168 HydrophobicContact CE2-CE2 3.83Å; F38-F168 HydrophobicContact CE2-CZ 4.22Å; F38-F168 AromaticContact CG-CD1 3.85Å; F38-F168 HydrophobicContact CG-CD1 3.85Å; F38-F168 HydrophobicContact CG-CD2 4.02Å; F38-F168 AromaticContact CG-CE1 3.74Å; F38-F168 HydrophobicContact CG-CE1 3.74Å; F38-F168 AromaticContact CG-CE2 3.92Å; F38-F168 HydrophobicContact CG-CE2 3.92Å; F38-F168 AromaticContact CG-CG 3.98Å; F38-F168 HydrophobicContact CG-CG 3.98Å; F38-F168 AromaticContact CG-CZ 3.77Å; F38-F168 HydrophobicContact CG-CZ 3.77Å; F38-F168 HydrophobicContact CZ-CD2 4.23Å; F38-F168 HydrophobicContact CZ-CE2 4.25Å; F41-F168 HydrophobicContact CB-CB 4.5Å; F41-F168 HydrophobicContact CB-CD1 4.39Å; L142-F168 CarbonylContact C-O 3.29Å; L142-F168 VanDerWaalsContact CA-O 3.28Å; L142-F168 WeakPolarHBondContact CA-O 3.26Å; I143-F168 HydrophobicContact CB-CB 4.49Å; I143-F168 PolarHBondContact N-O 3.41Å; I143-F168 PolarHBondContact O-N 2.74Å; N145-F168 HydrophobicContact CB-CE2 4.5Å; L166-F168 HydrophobicContact CB-CE2 3.85Å; L166-F168 HydrophobicContact CB-CZ 3.92Å; L166-F168 HydrophobicContact CD2-CE1 4.37Å; L166-F168 HydrophobicContact CD2-CZ 4.09Å; L166-F168 HydrophobicContact CG-CZ 4.44Å
169	K	72.9	Confident	52.5	Low	45 Å²	45	87.7 Å²	87.7	20%	0.196	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.5	177.3	174.6	156.3	179.4	163.5	0	110.7	D42 F68 H140 F141 L142	D42-K169 HydrophobicContact CB-CB 4.2Å; D42-K169 PolarHBondContact O-N 3.14Å; F68-K169 HydrophobicContact CE1-CB 4.12Å; F68-K169 HydrophobicContact CE2-CB 3.87Å; F68-K169 HydrophobicContact CG-CD 4.48Å; F68-K169 HydrophobicContact CZ-CB 3.62Å; H140-K169 HydrophobicContact CB-CG 4.39Å; H140-K169 WeakPolarHBondContact CD2-CE 3.41Å; H140-K169 VanDerWaalsContact CD2-CG 3.49Å; H140-K169 WeakPolarHBondContact CD2-CG 3.08Å; H140-K169 PolarHBondContact CE1-NZ 2.79Å; H140-K169 VanDerWaalsContact CE1-NZ 3.26Å; H140-K169 WeakPolarHBondContact NE2-CE 3.34Å; H140-K169 PolarHBondContact NE2-NZ 2.82Å; F141-K169 WeakPolarHBondContact O-CA 3.13Å; L142-K169 HydrophobicContact CD2-CB 3.91Å; L142-K169 HydrophobicContact CD2-CD 4.33Å; L142-K169 HydrophobicContact CD2-CG 4.27Å
170	R	58.9	Low	52.2	Low	140 Å²	140	93 Å²	93	53%	0.528	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.1	179.5	173.5	168.9	-175	169.4	0.2	111.8	F41 H140 F141	F41-R170 HydrophobicContact CD1-CB 3.74Å; F41-R170 HydrophobicContact CD1-CG 4.13Å; F41-R170 HydrophobicContact CE1-CB 3.66Å; F41-R170 HydrophobicContact CE1-CG 3.55Å; H140-R170 CarbonylContact C-O 3.47Å; H140-R170 WeakPolarHBondContact CA-O 3.37Å; H140-R170 WeakPolarHBondContact CB-O 3.4Å; F141-R170 PolarHBondContact N-O 3.37Å; F141-R170 PolarHBondContact O-N 3.38Å
171	S	61.8	Low	52.1	Low	91 Å²	91	89.8 Å²	89.8	64%	0.636	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	143.1	176.3	-49.5	0	0	0	0	113.2
172	L	50.1	Low	51.7	Low	76 Å²	76	93.3 Å²	93.3	40%	0.398	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-78.3	133.7	171.9	-78.8	163.6	0	0	0	110.4	D138 D139 F141	D138-L172 WeakPolarHBondContact O-CD1 3.03Å; D139-L172 WeakPolarHBondContact O-CB 3.05Å; D139-L172 PolarHBondContact O-N 2.96Å; F141-L172 HydrophobicContact CD2-CD2 4.47Å; F141-L172 HydrophobicContact CE2-CD2 3.6Å; F141-L172 HydrophobicContact CE2-CG 4.16Å; F141-L172 HydrophobicContact CZ-CD2 4.25Å
173	P	45.2	Very low	50.8	Low	121 Å²	121	96.4 Å²	96.4	79%	0.786	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-62.4	141.1	174.1	-18.7	29.8	0	0	0	112
174	S	39.9	Very low	49.7	Very low	116 Å²	116	102.2 Å²	102.2	81%	0.811	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-64.3	136.5	177.4	47.3	0	0	0	0	112.6	P176	S174-P176 WeakPolarHBondContact O-CD 3.14Å
175	K	31.1	Very low	47.9	Very low	210 Å²	210	106.4 Å²	106.4	91%	0.913	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-62.4	122	176.9	-100.3	178.3	171.9	176.6	0	111.3
176	P	34.5	Very low	45.7	Very low	90 Å²	90	111.6 Å²	111.6	58%	0.584	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-81.3	140.5	161.7	-4.3	23	0	0	0	110.2	S174 L178	S174-P176 WeakPolarHBondContact O-CD 3.14Å; P176-L178 PolarHBondContact O-N 2.86Å
177	A	34.3	Very low	43.4	Very low	111 Å²	111	119.7 Å²	119.7	92%	0.917	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-61.8	126	174.2	0	0	0	0	0	110.2
178	L	31.1	Very low	41	Very low	147 Å²	147	128.6 Å²	128.6	77%	0.77	69%	0.685	S	S	*	*			trans	-107.3	129.9	-177.9	-144.8	87.2	0	0	0	108.4	P176	P176-L178 PolarHBondContact O-N 2.86Å
179	D	37.5	Very low	38.7	Very low	134 Å²	134	134 Å²	134	72%	0.717	72%	0.719	S	S	*	*			trans	-79.8	139	-178.6	-163	21.7	0	0	0	111.1	D181	D179-D181 VanDerWaalsContact C-N 3.34Å; D179-D181 PolarHBondContact O-N 3.45Å
180	E	35.1	Very low	36.6	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-78.5	-13.6	-160	-136.7	173.5	178.1	0	0	113.8	T182	E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 3.01Å
181	D	38.2	Very low	34.9	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-74.8	-10	-170.5	-97.4	-2.4	0	0	0	115.4	D179	D179-D181 VanDerWaalsContact C-N 3.34Å; D179-D181 PolarHBondContact O-N 3.45Å
182	T	33.5	Very low	33.2	Very low	117 Å²	117	144.6 Å²	144.6	72%	0.718	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-85.3	-10.4	-176.3	-35.7	0	0	0	0	113.4	E180	E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 3.01Å
183	L	31.9	Very low	32	Very low	149 Å²	149	149.2 Å²	149.2	78%	0.78	79%	0.79	S	S	*	*	S	Bend	trans	-87.1	-16.4	-174.9	-108.5	144	0	0	0	114.1
184	Q	33.5	Very low	31	Very low	172 Å²	172	151.2 Å²	151.2	80%	0.804	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	1.4	-170.4	-149.6	154.9	7.2	0	0	114.9
185	H	31	Very low	30.2	Very low	171 Å²	171	154.7 Å²	154.7	79%	0.792	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	3	-175.3	-127.7	61.9	0	0	0	115.6
186	V	29.4	Very low	30	Very low	117 Å²	117	149.5 Å²	149.5	71%	0.709	78%	0.783	S	S	*	*	S	Bend	trans	-104.4	-13.1	-173.8	-175.3	0	0	0	0	113.1
187	E	27.9	Very low	29.5	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	80%	0.795	S	S	*	*	S	Bend	trans	-82.2	-10.6	-175.7	-78.2	-173.5	150.7	0	0	115.4
188	E	29.2	Very low	29.2	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.874	80%	0.796	S	S	*	*	S	Bend	trans	-107.9	3.3	-168.4	-77.7	-169.9	161.2	0	0	117.9
189	T	26.1	Very low	29.1	Very low	123 Å²	123	154 Å²	154	76%	0.755	78%	0.782	S	S	*	*	S	Bend	trans	-125.3	13.4	-169.2	27.5	0	0	0	0	119.5
190	V	28.6	Very low	28.8	Very low	123 Å²	123	151.9 Å²	151.9	75%	0.745	78%	0.777	S	S	*	*			trans	-131.5	62.2	-177.7	-161.6	0	0	0	0	114.2
191	F	22.8	Very low	28.3	Very low	205 Å²	205	148.5 Å²	148.5	90%	0.899	76%	0.764	S	S	*	*			trans	-149.9	81.7	160.6	-77.6	-75.1	0	0	0	111.4
192	H	25.8	Very low	28	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.796	77%	0.767	S	S	*	*			trans	-142.5	117.6	159.2	-91	-71.8	0	0	0	111.9
193	E	25	Very low	27.7	Very low	172 Å²	172	150.2 Å²	150.2	80%	0.804	77%	0.769	S	S	*	*			trans	56.4	97.1	141.1	-67.2	175.2	176.3	0	0	120.7
194	I	24.2	Very low	27.5	Very low	163 Å²	163	147.3 Å²	147.3	84%	0.836	77%	0.766	S	S	*	*			trans	-140.1	120.2	145.2	-55.6	179.2	0	0	0	107.7	P196	I194-P196 WeakPolarHBondContact O-CD 3.37Å
195	Q	22.6	Very low	27.2	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.883	76%	0.758	S	S	*	*			trans	-100.3	114.1	179.5	-75.9	-88.1	-30.6	0	0	110.3
196	P	28.2	Very low	27.1	Very low	101 Å²	101	141.5 Å²	141.5	66%	0.656	76%	0.76	S	S	*	*			trans	-100.8	150.4	168.9	4.1	17.6	0	0	0	112.6	I194	I194-P196 WeakPolarHBondContact O-CD 3.37Å
197	E	23.9	Very low	27.2	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	76%	0.756	S	S	*	*	S	Bend	trans	-55.9	143.1	-175.8	-65.5	167.8	154.2	0	0	115.5	F199	E197-F199 PolarHBondContact O-N 2.8Å
198	V	27.8	Very low	27.4	Very low	152 Å²	152	138.6 Å²	138.6	92%	0.921	76%	0.755	S	S	*	*	S	Bend	trans	26.7	70.6	164.1	-163.6	0	0	0	0	114.5
199	F	28.3	Very low	27.3	Very low	111 Å²	111	137.1 Å²	137.1	49%	0.487	75%	0.752	S	S	.	*			trans	-73.3	147.6	176	-160.4	-113.4	0	0	0	111.1	E197 D201 K523	E197-F199 PolarHBondContact O-N 2.8Å; F199-D201 HydrophobicContact CD1-CB 4.37Å; F199-D201 PolarHBondContact O-N 3.48Å; F199-K523 HydrophobicContact CZ-CD 4.37Å
200	C	31	Very low	27.5	Very low	89 Å²	89	136.3 Å²	136.3	60%	0.601	75%	0.749	S	S	*	*			trans	-73	74.8	161.7	-60.9	0	0	0	0	108.4	V202	C200-V202 PolarHBondContact O-N 3.42Å; C200-V202 VanDerWaalsContact O-N 3.15Å
201	D	25.1	Very low	27.9	Very low	105 Å²	105	135.7 Å²	135.7	56%	0.561	74%	0.741	S	S	*	*			trans	-71.2	105.7	163.3	-99.8	-31.8	0	0	0	107.6	F199 E203	F199-D201 HydrophobicContact CD1-CB 4.37Å; F199-D201 PolarHBondContact O-N 3.48Å; D201-E203 HydrophobicContact CB-CB 4.46Å; D201-E203 HydrophobicContact CB-CG 4.04Å; D201-E203 PolarHBondContact O-N 2.96Å
202	V	33.1	Very low	28.5	Very low	129 Å²	129	131.7 Å²	131.7	78%	0.782	74%	0.736	S	S	*	*			trans	-72.9	61.9	153.3	-170.9	0	0	0	0	106	C200 A204	C200-V202 PolarHBondContact O-N 3.42Å; C200-V202 VanDerWaalsContact O-N 3.15Å; V202-A204 PolarHBondContact O-N 3.23Å
203	E	25.7	Very low	29	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.743	72%	0.719	S	S	*	*			trans	-68.2	99.7	159.5	-84.1	-170.3	175.3	0	0	104.8	D201 S205	D201-E203 HydrophobicContact CB-CB 4.46Å; D201-E203 HydrophobicContact CB-CG 4.04Å; D201-E203 PolarHBondContact O-N 2.96Å; E203-S205 PolarHBondContact O-N 2.79Å
204	A	28.6	Very low	29.6	Very low	87 Å²	87	127 Å²	127	72%	0.719	71%	0.713	S	S	*	*			trans	-54.6	95.1	158.1	0	0	0	0	0	105.9	V202 P206	V202-A204 PolarHBondContact O-N 3.23Å; A204-P206 WeakPolarHBondContact O-CD 3.31Å; A204-P206 VanDerWaalsContact O-N 3.09Å
205	S	27.7	Very low	30.5	Very low	92 Å²	92	122.9 Å²	122.9	64%	0.643	70%	0.699	S	S	*	*			trans	-45.9	123.5	167.9	48.9	0	0	0	0	106.5	E203 G207	E203-S205 PolarHBondContact O-N 2.79Å; S205-G207 PolarHBondContact O-N 2.91Å
206	P	29.2	Very low	31.3	Very low	130 Å²	130	118.7 Å²	118.7	84%	0.844	68%	0.682	S	S	*	*	S	Bend	trans	-68.9	16.2	-172.4	25.5	-32.3	0	0	0	113.6	A204 Q208	A204-P206 WeakPolarHBondContact O-CD 3.31Å; A204-P206 VanDerWaalsContact O-N 3.09Å; P206-Q208 PolarHBondContact O-N 2.91Å
207	G	31.7	Very low	32	Very low	60 Å²	60	115.8 Å²	115.8	62%	0.619	66%	0.659	S	S	*	*			trans	-65.3	78.2	159.3	0	0	0	0	0	110	S205 L209	S205-G207 PolarHBondContact O-N 2.91Å; G207-L209 PolarHBondContact O-N 2.78Å
208	Q	30.6	Very low	32.9	Very low	182 Å²	182	111.5 Å²	111.5	85%	0.85	65%	0.654	S	S	*	*			trans	-62	72.4	169.7	-167.4	163	-4	0	0	109.2	P206 P210	P206-Q208 PolarHBondContact O-N 2.91Å; Q208-P210 WeakPolarHBondContact O-CD 3.14Å
209	L	28.2	Very low	33.8	Very low	155 Å²	155	114.4 Å²	114.4	81%	0.812	65%	0.649	S	S	*	*			trans	-70.2	108.7	160.6	-96.3	156.7	0	0	0	105.6	G207 L211	G207-L209 PolarHBondContact O-N 2.78Å; L209-L211 PolarHBondContact O-N 2.88Å
210	P	30.8	Very low	34.9	Very low	106 Å²	106	117.7 Å²	117.7	69%	0.688	66%	0.658	S	S	*	*			trans	-64.1	114.4	178.8	-10.6	26.5	0	0	0	106.3	Q208 P212	Q208-P210 WeakPolarHBondContact O-CD 3.14Å; P210-P212 WeakPolarHBondContact O-CD 3.11Å
211	L	35.2	Very low	35.9	Very low	110 Å²	110	116.4 Å²	116.4	58%	0.576	66%	0.66	S	S	*	*			trans	-54	115.2	176.1	-70.9	168.6	0	0	0	107.9	L209 F213 Q214	L209-L211 PolarHBondContact O-N 2.88Å; L211-F213 PolarHBondContact O-N 2.89Å; L211-Q214 PolarHBondContact O-N 2.86Å
212	P	35.2	Very low	37.5	Very low	121 Å²	121	112.4 Å²	112.4	79%	0.786	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-6.9	176.4	-18	30.8	0	0	0	112.3	P210 S215	P210-P212 WeakPolarHBondContact O-CD 3.11Å; P212-S215 PolarHBondContact O-OG 2.81Å
213	F	37.7	Very low	38.8	Very low	103 Å²	103	108 Å²	108	45%	0.452	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	-13.7	-174.8	-138.1	-82.5	0	0	0	114.5	L211 S215 F217 L425	L211-F213 PolarHBondContact O-N 2.89Å; F213-S215 VanDerWaalsContact C-N 3.26Å; F213-S215 PolarHBondContact O-N 2.86Å; F213-F217 HydrophobicContact CD1-CD2 4.44Å; F213-F217 PolarHBondContact O-N 3.09Å; F213-L425 HydrophobicContact CD1-CD1 4.24Å; F213-L425 HydrophobicContact CE1-CD1 3.33Å; F213-L425 HydrophobicContact CZ-CD1 3.97Å
214	Q	37.3	Very low	40.5	Very low	144 Å²	144	106.1 Å²	106.1	67%	0.673	61%	0.607	S	S	*	*	H	α-helix	trans	-64.7	-30.5	176.7	-92.3	-171.6	-8.4	0	0	112.5	L211 F217 A218	L211-Q214 PolarHBondContact O-N 2.86Å; Q214-F217 PolarHBondContact O-N 2.95Å; Q214-A218 PolarHBondContact O-N 3.11Å
215	S	42.3	Very low	42.1	Very low	76 Å²	76	105.5 Å²	105.5	53%	0.531	59%	0.591	S	S	.	*	H	α-helix	trans	-69.8	-34.1	-177.2	56	0	0	0	0	113.5	P212 F213 R219	P212-S215 PolarHBondContact O-OG 2.81Å; F213-S215 VanDerWaalsContact C-N 3.26Å; F213-S215 PolarHBondContact O-N 2.86Å; S215-R219 PolarHBondContact O-N 3.06Å
216	D	40.1	Very low	44.1	Very low	100 Å²	100	101.3 Å²	101.3	54%	0.535	56%	0.562	S	S	.	*	H	α-helix	trans	-76.6	-32.4	175	-90.9	-4.5	0	0	0	111.6	R219 R220	D216-R219 PolarHBondContact O-N 3.45Å; D216-R220 PolarHBondContact O-N 3.49Å; D216-R220 VanDerWaalsContact O-N 3.13Å
217	F	42.1	Very low	46.1	Very low	40 Å²	40	96.2 Å²	96.2	18%	0.175	53%	0.528	C	S	.	.	H	α-helix	trans	-64	-47.1	176.2	-131	-87.6	0	0	0	111.7	F213 Q214 R219 R220 G221 L222 L425	F213-F217 HydrophobicContact CD1-CD2 4.44Å; F213-F217 PolarHBondContact O-N 3.09Å; Q214-F217 PolarHBondContact O-N 2.95Å; F217-R219 PolarHBondContact O-N 3.21Å; F217-R220 PolarHBondContact O-N 3.09Å; F217-G221 PolarHBondContact O-N 3.33Å; F217-L222 HydrophobicContact CE1-CB 4.4Å; F217-L222 HydrophobicContact CE1-CD1 3.93Å; F217-L222 HydrophobicContact CE2-CD1 4.26Å; F217-L222 HydrophobicContact CZ-CD1 3.55Å; F217-L425 HydrophobicContact CD2-CD1 4.07Å; F217-L425 HydrophobicContact CD2-CD2 4.18Å; F217-L425 HydrophobicContact CE2-CD1 3.77Å; F217-L425 HydrophobicContact CE2-CD2 3.98Å; F217-L425 HydrophobicContact CE2-CG 4Å
218	A	44.3	Very low	48.4	Very low	90 Å²	90	93.8 Å²	93.8	74%	0.744	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-24.7	175.6	0	0	0	0	0	112.6	Q214	Q214-A218 PolarHBondContact O-N 3.11Å
219	R	46.2	Very low	50.8	Low	214 Å²	214	88.3 Å²	88.3	81%	0.808	48%	0.476	S	S	*	.	H	α-helix	trans	-85.5	-24.2	177.6	-79.7	-172.4	179.8	-139.3	1.6	114.6	S215 D216 F217	S215-R219 PolarHBondContact O-N 3.06Å; D216-R219 PolarHBondContact O-N 3.45Å; F217-R219 PolarHBondContact O-N 3.21Å
220	R	51.7	Low	53.4	Low	179 Å²	179	81.1 Å²	81.1	68%	0.675	44%	0.438	S	S	*	.	H	α-helix	trans	-113.4	3.2	-173.1	-93.5	-176.5	-177.4	169.1	1.9	117	D216 F217 L222	D216-R220 PolarHBondContact O-N 3.49Å; D216-R220 VanDerWaalsContact O-N 3.13Å; F217-R220 PolarHBondContact O-N 3.09Å; R220-L222 PolarHBondContact O-N 2.03Å
221	G	51.7	Low	56.1	Low	62 Å²	62	76 Å²	76	64%	0.639	41%	0.405	S	S	*	.			trans	49.3	56.9	157.7	0	0	0	0	0	114.9	F217	F217-G221 PolarHBondContact O-N 3.33Å
222	L	57.7	Low	58.6	Low	21 Å²	21	70.8 Å²	70.8	11%	0.11	38%	0.378	C	S	.	.			trans	-57.8	140.6	164.3	-82	167.4	0	0	0	108.7	F217 R220 T277 L424 L425 S428	F217-L222 HydrophobicContact CE1-CB 4.4Å; F217-L222 HydrophobicContact CE1-CD1 3.93Å; F217-L222 HydrophobicContact CE2-CD1 4.26Å; F217-L222 HydrophobicContact CZ-CD1 3.55Å; R220-L222 PolarHBondContact O-N 2.03Å; L222-T277 WeakPolarHBondContact CB-OG1 3.49Å; L222-L424 HydrophobicContact CD1-CB 4.39Å; L222-L425 HydrophobicContact CD1-CD2 3.96Å; L222-L425 HydrophobicContact CD1-CG 4.32Å; L222-S428 WeakPolarHBondContact CD2-OG 3.27Å
223	P	62	Low	61.3	Low	38 Å²	38	65 Å²	65	25%	0.247	34%	0.34	C	S	.	.			trans	-57.4	153	176.4	-19.5	29.6	0	0	0	111.5	I225 L226 T277 P440	P223-I225 PolarHBondContact O-N 3.08Å; P223-L226 HydrophobicContact CB-CD2 4.49Å; P223-L226 HydrophobicContact CG-CD2 4Å; P223-T277 VanDerWaalsContact O-CB 3.28Å; P223-T277 WeakPolarHBondContact O-CB 3.44Å; P223-T277 WeakPolarHBondContact O-CG2 3.34Å; P223-T277 PolarHBondContact O-OG1 2.9Å; P223-P440 HydrophobicContact CB-CB 4.13Å; P223-P440 HydrophobicContact CG-CB 3.54Å; P223-P440 HydrophobicContact CG-CG 3.75Å
224	D	61.3	Low	63.7	Low	118 Å²	118	60.2 Å²	60.2	63%	0.631	32%	0.319	S	S	*	.	S	Bend	trans	-65.3	-25.2	175.3	-67.8	-23	0	0	0	112.5	S276 T277 K278	D224-S276 WeakPolarHBondContact CA-O 3.46Å; D224-T277 CarbonylContact O-C 3.51Å; D224-T277 WeakPolarHBondContact O-CA 3.47Å; D224-K278 PolarHBondContact O-N 2.91Å
225	I	60.8	Low	66.2	Low	74 Å²	74	53.6 Å²	53.6	38%	0.379	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.8	178.1	-55.9	176.9	0	0	0	109.5	P223 K278 K280	P223-I225 PolarHBondContact O-N 3.08Å; I225-K278 CarbonylContact C-O 3.59Å; I225-K278 VanDerWaalsContact CA-O 3.27Å; I225-K278 WeakPolarHBondContact CA-O 3.42Å; I225-K280 HydrophobicContact CG2-CB 3.86Å
226	L	70.5	Confident	68.2	Low	4 Å²	4	51.3 Å²	51.3	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.8	168.9	-70.3	173.1	0	0	0	108.8	P223 T277 K278 A279 K280 L424 L438	P223-L226 HydrophobicContact CB-CD2 4.49Å; P223-L226 HydrophobicContact CG-CD2 4Å; L226-T277 HydrophobicContact CB-CG2 4.4Å; L226-T277 HydrophobicContact CD1-CG2 3.59Å; L226-T277 HydrophobicContact CG-CG2 3.63Å; L226-K278 PolarHBondContact N-O 2.87Å; L226-A279 CarbonylContact O-C 3.45Å; L226-A279 WeakPolarHBondContact O-CA 3.29Å; L226-K280 PolarHBondContact O-N 3.04Å; L226-L424 HydrophobicContact CD1-CD1 4.09Å; L226-L424 HydrophobicContact CD1-CD2 3.78Å; L226-L424 HydrophobicContact CD1-CG 4.47Å; L226-L438 HydrophobicContact CB-CB 4.33Å; L226-L438 HydrophobicContact CD1-CD1 4.32Å; L226-L438 HydrophobicContact CD2-CB 4.23Å
227	T	71.4	Confident	70.4	Confident	24 Å²	24	50.4 Å²	50.4	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.9	176	-54	0	0	0	0	109.8	K280 S439	T227-K280 CarbonylContact C-O 3.55Å; T227-K280 WeakPolarHBondContact CA-O 3.47Å; T227-S439 PolarHBondContact N-O 3.1Å; T227-S439 VanDerWaalsContact N-O 3.13Å; T227-S439 PolarHBondContact O-N 3.24Å
228	L	78.8	Confident	72.6	Confident	9 Å²	9	48.6 Å²	48.6	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.2	174.2	177.3	68.9	0	0	0	109.4	L230 K280 S282 D328 H329 M354 M379 L438	L228-L230 HydrophobicContact CD2-CD2 3.73Å; L228-L230 HydrophobicContact CG-CD2 3.8Å; L228-L230 HydrophobicContact CG-CG 4.45Å; L228-K280 PolarHBondContact N-O 3.44Å; L228-S282 PolarHBondContact O-N 2.87Å; L228-D328 HydrophobicContact CD1-CB 3.53Å; L228-H329 HydrophobicContact CD1-CB 4.23Å; L228-M354 HydrophobicContact CD1-CE 4.11Å; L228-M354 HydrophobicContact CD1-CG 4.34Å; L228-M354 HydrophobicContact CD1-SD 3.51Å; L228-M354 VanDerWaalsContact CD1-SD 3.51Å; L228-M354 HydrophobicContact CD2-CE 3.97Å; L228-M354 HydrophobicContact CD2-SD 4.46Å; L228-M379 HydrophobicContact CD2-CE 3.4Å; L228-M379 VanDerWaalsContact CD2-CE 3.4Å; L228-L438 HydrophobicContact CB-CD2 4.22Å; L228-L438 HydrophobicContact CD1-CD2 3.39Å; L228-L438 HydrophobicContact CG-CD2 4.4Å
229	E	82.1	Confident	74.5	Confident	67 Å²	67	45.8 Å²	45.8	31%	0.313	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118	177.8	-66.6	-170.9	159.6	0	0	111.7	S282 V284 D328 H329	E229-S282 CarbonylContact C-O 3.54Å; E229-S282 WeakPolarHBondContact CA-O 3.3Å; E229-V284 HydrophobicContact CB-CG2 3.62Å; E229-V284 HydrophobicContact CG-CG2 3.71Å; E229-D328 HydrophobicContact CB-CB 4.27Å; E229-D328 WeakPolarHBondContact CB-OD2 3.29Å; E229-D328 PolarHBondContact N-OD2 2.82Å; E229-D328 WeakPolarHBondContact O-CA 3.38Å; E229-D328 WeakPolarHBondContact O-CB 2.93Å; E229-D328 PolarHBondContact O-N 2.95Å; E229-H329 PolarHBondContact O-N 3.24Å
230	L	83.4	Confident	76.3	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.4	-175.2	-61	-179	0	0	0	112.2	L228 I262 N281 S282 V284 L285 H329 M379	L228-L230 HydrophobicContact CD2-CD2 3.73Å; L228-L230 HydrophobicContact CG-CD2 3.8Å; L228-L230 HydrophobicContact CG-CG 4.45Å; L230-I262 HydrophobicContact CD1-CG2 3.83Å; L230-N281 HydrophobicContact CD1-CB 3.84Å; L230-S282 PolarHBondContact N-O 3.12Å; L230-V284 PolarHBondContact O-N 2.98Å; L230-L285 PolarHBondContact O-N 2.8Å; L230-H329 WeakPolarHBondContact CA-O 3.45Å; L230-H329 HydrophobicContact CD2-CB 3.8Å; L230-M379 HydrophobicContact CD1-CE 4.3Å; L230-M379 HydrophobicContact CD2-CE 3.85Å
231	A	86.6	Confident	77.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.1	164.7	0	0	0	0	0	110	F233 L285 W327 H329 A330 T331	A231-F233 HydrophobicContact CB-CD2 4.47Å; A231-F233 HydrophobicContact CB-CE2 3.66Å; A231-F233 HydrophobicContact CB-CZ 4.31Å; A231-L285 CarbonylContact C-O 3.48Å; A231-L285 WeakPolarHBondContact CA-O 3.38Å; A231-L285 HydrophobicContact CB-CB 3.93Å; A231-L285 HydrophobicContact CB-CD2 4.17Å; A231-L285 HydrophobicContact CB-CG 4.46Å; A231-W327 HydrophobicContact CB-CB 3.85Å; A231-W327 HydrophobicContact CB-CD2 3.46Å; A231-W327 VanDerWaalsContact CB-CD2 3.46Å; A231-W327 HydrophobicContact CB-CE3 3.8Å; A231-W327 HydrophobicContact CB-CG 3.47Å; A231-W327 VanDerWaalsContact CB-CG 3.47Å; A231-H329 PolarHBondContact N-O 3.43Å; A231-A330 CarbonylContact O-C 3.59Å; A231-A330 VanDerWaalsContact O-CA 3.31Å; A231-A330 WeakPolarHBondContact O-CA 3.47Å; A231-T331 PolarHBondContact O-N 3.2Å
232	V	87.8	Confident	79	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.9	-179.4	179.8	0	0	0	0	110.2	A258 I262 L285 I286 C287 T331 L333	V232-A258 HydrophobicContact CG1-CB 4.35Å; V232-I262 HydrophobicContact CB-CD1 4.01Å; V232-I262 HydrophobicContact CG1-CD1 4.36Å; V232-I262 HydrophobicContact CG2-CD1 3.3Å; V232-I262 HydrophobicContact CG2-CG1 3.8Å; V232-L285 PolarHBondContact N-O 3.5Å; V232-I286 CarbonylContact O-C 3.4Å; V232-I286 WeakPolarHBondContact O-CA 3.31Å; V232-C287 PolarHBondContact O-N 3.34Å; V232-T331 CarbonylContact C-O 3.49Å; V232-T331 WeakPolarHBondContact CA-O 3.33Å; V232-L333 HydrophobicContact CG1-CD1 3.91Å; V232-L333 HydrophobicContact CG1-CG 4.31Å
233	F	91	Very high	79.9	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	145.1	179.8	-64.4	-97.9	0	0	0	109.6	A231 L285 C287 F313 F316 L320 W327 A330 T331 L332 L333	A231-F233 HydrophobicContact CB-CD2 4.47Å; A231-F233 HydrophobicContact CB-CE2 3.66Å; A231-F233 HydrophobicContact CB-CZ 4.31Å; F233-L285 HydrophobicContact CZ-CD2 4.06Å; F233-C287 CarbonylContact C-O 3.59Å; F233-C287 VanDerWaalsContact CA-O 3.3Å; F233-C287 WeakPolarHBondContact CA-O 3.49Å; F233-C287 HydrophobicContact CD1-CB 3.54Å; F233-C287 HydrophobicContact CE1-CB 3.69Å; F233-C287 HydrophobicContact CG-CB 4.26Å; F233-F313 HydrophobicContact CB-CE2 4.02Å; F233-F313 HydrophobicContact CB-CZ 4.34Å; F233-F313 HydrophobicContact CD1-CE2 4.48Å; F233-F313 AromaticContact CD2-CE2 3.79Å; F233-F313 HydrophobicContact CD2-CE2 3.79Å; F233-F313 AromaticContact CD2-CZ 3.68Å; F233-F313 HydrophobicContact CD2-CZ 3.68Å; F233-F313 HydrophobicContact CE2-CE2 4.39Å; F233-F313 HydrophobicContact CE2-CZ 4.29Å; F233-F313 AromaticContact CG-CE2 3.84Å; F233-F313 HydrophobicContact CG-CE2 3.84Å; F233-F313 HydrophobicContact CG-CZ 4.16Å; F233-F316 HydrophobicContact CD1-CE1 4.12Å; F233-F316 HydrophobicContact CE1-CE1 4Å; F233-L320 HydrophobicContact CE1-CD2 3.74Å; F233-L320 HydrophobicContact CZ-CD2 3.94Å; F233-W327 HydrophobicContact CE2-CZ2 4.45Å; F233-W327 HydrophobicContact CZ-CH2 4.08Å; F233-W327 HydrophobicContact CZ-CZ2 4.06Å; F233-A330 HydrophobicContact CD2-CB 4.41Å; F233-A330 HydrophobicContact CE2-CB 3.99Å; F233-T331 PolarHBondContact N-O 3.3Å; F233-L332 HydrophobicContact CB-CD1 3.73Å; F233-L333 PolarHBondContact O-N 2.05Å
234	T	89.8	Confident	80.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.4	168	55.5	0	0	0	0	108	L238 L254 C287 I288 L289 L333	T234-L238 HydrophobicContact CG2-CD2 4.01Å; T234-L254 HydrophobicContact CG2-CD1 4.01Å; T234-L254 HydrophobicContact CG2-CD2 4.17Å; T234-L254 HydrophobicContact CG2-CG 4.16Å; T234-C287 PolarHBondContact N-O 2.03Å; T234-C287 PolarHBondContact OG1-O 2.85Å; T234-I288 VanDerWaalsContact OG1-CA 3.32Å; T234-I288 WeakPolarHBondContact OG1-CA 3.47Å; T234-L289 WeakPolarHBondContact O-CA 3.34Å; T234-L289 WeakPolarHBondContact O-CB 3.33Å; T234-L289 VanDerWaalsContact O-CG 3.25Å; T234-L289 WeakPolarHBondContact O-CG 3.26Å; T234-L289 PolarHBondContact O-N 3.48Å; T234-L333 WeakPolarHBondContact CA-O 3.23Å; T234-L333 HydrophobicContact CG2-CB 4.09Å; T234-L333 HydrophobicContact CG2-CD1 4.27Å
235	D	89.3	Confident	80.8	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.027	20%	0.2	C	C	.	.			trans	-85.3	173.2	179.3	70.5	-2.5	0	0	0	113.1	K237 L238 W239 L289 L332 L333 T334 G335 Y336	D235-K237 VanDerWaalsContact C-N 3.25Å; D235-K237 PolarHBondContact O-N 3.11Å; D235-K237 PolarHBondContact OD1-N 3.25Å; D235-L238 PolarHBondContact O-N 3.08Å; D235-L238 VanDerWaalsContact OD1-CB 3.22Å; D235-L238 WeakPolarHBondContact OD1-CB 3.48Å; D235-L238 PolarHBondContact OD1-N 2.93Å; D235-W239 WeakPolarHBondContact O-CB 3.39Å; D235-W239 PolarHBondContact O-N 2.02Å; D235-L289 CarbonylContact C-O 3.59Å; D235-L332 HydrophobicContact CB-CD1 4.32Å; D235-L333 PolarHBondContact N-O 3.34Å; D235-T334 WeakPolarHBondContact OD1-CA 3.08Å; D235-T334 WeakPolarHBondContact OD2-CA 3.17Å; D235-T334 VanDerWaalsContact OD2-CB 3.25Å; D235-T334 WeakPolarHBondContact OD2-CB 3.4Å; D235-T334 PolarHBondContact OD2-OG1 3.12Å; D235-G335 PolarHBondContact OD1-N 3.08Å; D235-G335 PolarHBondContact OD2-N 2.7Å; D235-Y336 VanDerWaalsContact OD2-CD2 3.31Å; D235-Y336 WeakPolarHBondContact OD2-CD2 3.3Å
236	D	85.1	Confident	81.2	Confident	29 Å²	29	37.9 Å²	37.9	16%	0.155	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-31.3	-179.4	70	-44.7	0	0	0	111.8	Q240 L289	D236-Q240 WeakPolarHBondContact O-CB 3.18Å; D236-Q240 WeakPolarHBondContact O-CG 3.36Å; D236-Q240 PolarHBondContact O-N 2.08Å; D236-L289 WeakPolarHBondContact CA-O 3.05Å; D236-L289 PolarHBondContact N-O 3.43Å; D236-L289 VanDerWaalsContact N-O 3.13Å
237	K	86	Confident	81.5	Confident	81 Å²	81	40.9 Å²	40.9	35%	0.352	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-46.8	177.1	-169	64.5	176	-177.7	0	111.9	D235 W239 Q240 V241 G335 Y336	D235-K237 VanDerWaalsContact C-N 3.25Å; D235-K237 PolarHBondContact O-N 3.11Å; D235-K237 PolarHBondContact OD1-N 3.25Å; K237-W239 VanDerWaalsContact C-N 3.35Å; K237-Q240 PolarHBondContact O-N 3.33Å; K237-V241 WeakPolarHBondContact O-CG2 3.45Å; K237-V241 PolarHBondContact O-N 3.07Å; K237-G335 VanDerWaalsContact CG-C 3.46Å; K237-G335 WeakPolarHBondContact CG-O 3.45Å; K237-Y336 HydrophobicContact CB-CD2 3.95Å; K237-Y336 HydrophobicContact CB-CE2 3.65Å; K237-Y336 HydrophobicContact CG-CD1 4.49Å; K237-Y336 HydrophobicContact CG-CD2 4.28Å; K237-Y336 HydrophobicContact CG-CE1 4.44Å; K237-Y336 HydrophobicContact CG-CE2 4.22Å; K237-Y336 HydrophobicContact CG-CG 4.4Å
238	L	87.4	Confident	81.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-40.6	176.2	-172.3	60.1	0	0	0	111.1	T234 D235 Q240 V241 F242 L254 L333	T234-L238 HydrophobicContact CG2-CD2 4.01Å; D235-L238 PolarHBondContact O-N 3.08Å; D235-L238 VanDerWaalsContact OD1-CB 3.22Å; D235-L238 WeakPolarHBondContact OD1-CB 3.48Å; D235-L238 PolarHBondContact OD1-N 2.93Å; L238-Q240 VanDerWaalsContact C-N 3.32Å; L238-Q240 PolarHBondContact O-N 2.8Å; L238-V241 WeakPolarHBondContact O-CB 3.03Å; L238-V241 PolarHBondContact O-N 3.31Å; L238-F242 HydrophobicContact CD1-CD2 4.17Å; L238-F242 HydrophobicContact CD1-CE2 3.95Å; L238-F242 HydrophobicContact CG-CD2 4.33Å; L238-F242 HydrophobicContact CG-CE2 4.34Å; L238-F242 PolarHBondContact O-N 3.12Å; L238-F242 VanDerWaalsContact O-N 3.09Å; L238-L254 HydrophobicContact CD2-CD1 4.15Å; L238-L254 HydrophobicContact CG-CD1 4.22Å; L238-L333 HydrophobicContact CD2-CB 3.67Å; L238-L333 WeakPolarHBondContact CD2-O 3.25Å
239	W	84.6	Confident	80.8	Confident	32 Å²	32	51.2 Å²	51.2	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-45.3	172.9	167.9	-107.9	0	0	0	112.3	D235 K237 V241 F242 K243 A250 E251 L254 I288 C290	D235-W239 WeakPolarHBondContact O-CB 3.39Å; D235-W239 PolarHBondContact O-N 2.02Å; K237-W239 VanDerWaalsContact C-N 3.35Å; W239-V241 VanDerWaalsContact C-N 3.3Å; W239-V241 PolarHBondContact O-N 3.32Å; W239-F242 PolarHBondContact O-N 3.2Å; W239-K243 HydrophobicContact CZ2-CD 4.33Å; W239-K243 VanDerWaalsContact O-CB 3.31Å; W239-K243 WeakPolarHBondContact O-CB 3.44Å; W239-K243 PolarHBondContact O-N 3.14Å; W239-A250 HydrophobicContact CH2-CB 4.29Å; W239-A250 HydrophobicContact CZ3-CB 4.23Å; W239-E251 HydrophobicContact CH2-CB 4Å; W239-E251 HydrophobicContact CZ3-CB 3.94Å; W239-L254 HydrophobicContact CE3-CD2 3.91Å; W239-I288 HydrophobicContact CD2-CG2 4.36Å; W239-I288 HydrophobicContact CE3-CG2 3.67Å; W239-I288 HydrophobicContact CZ3-CG2 4.12Å; W239-C290 HydrophobicContact CD2-CB 4.03Å; W239-C290 HydrophobicContact CG-CB 4.12Å; W239-C290 HydrophobicContact CZ2-CB 4.21Å; W239-C290 VanDerWaalsContact CZ2-SG 3.56Å; W239-C290 PolarHBondContact NE1-O 3.22Å
240	Q	82.9	Confident	80.4	Confident	98 Å²	98	48.1 Å²	48.1	46%	0.458	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-38.9	177.4	-75	167.7	25.2	0	0	112.2	D236 K237 L238 K243 S244	D236-Q240 WeakPolarHBondContact O-CB 3.18Å; D236-Q240 WeakPolarHBondContact O-CG 3.36Å; D236-Q240 PolarHBondContact O-N 2.08Å; K237-Q240 PolarHBondContact O-N 3.33Å; L238-Q240 VanDerWaalsContact C-N 3.32Å; L238-Q240 PolarHBondContact O-N 2.8Å; Q240-K243 PolarHBondContact O-N 2.9Å; Q240-S244 WeakPolarHBondContact O-CB 3.05Å; Q240-S244 PolarHBondContact O-N 3.4Å
241	V	80.6	Confident	79.9	Confident	63 Å²	63	50.5 Å²	50.5	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-49.8	175.1	174.1	0	0	0	0	110.6	K237 L238 W239 K243 S244 I245	K237-V241 WeakPolarHBondContact O-CG2 3.45Å; K237-V241 PolarHBondContact O-N 3.07Å; L238-V241 WeakPolarHBondContact O-CB 3.03Å; L238-V241 PolarHBondContact O-N 3.31Å; W239-V241 VanDerWaalsContact C-N 3.3Å; W239-V241 PolarHBondContact O-N 3.32Å; V241-K243 VanDerWaalsContact C-N 3.35Å; V241-K243 PolarHBondContact O-N 3.14Å; V241-S244 WeakPolarHBondContact O-CB 3.29Å; V241-S244 PolarHBondContact O-N 3.46Å; V241-I245 HydrophobicContact CG1-CD1 3.92Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 3.39Å; V241-I245 VanDerWaalsContact O-N 3.16Å
242	F	80.2	Confident	79.1	Confident	10 Å²	10	55.5 Å²	55.5	4%	0.044	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-36.5	178.6	-86.3	-107.9	0	0	0	112.5	L238 W239 S244 I245 Y246 A250 Q253 L254 Y257 F469	L238-F242 HydrophobicContact CD1-CD2 4.17Å; L238-F242 HydrophobicContact CD1-CE2 3.95Å; L238-F242 HydrophobicContact CG-CD2 4.33Å; L238-F242 HydrophobicContact CG-CE2 4.34Å; L238-F242 PolarHBondContact O-N 3.12Å; L238-F242 VanDerWaalsContact O-N 3.09Å; W239-F242 PolarHBondContact O-N 3.2Å; F242-S244 VanDerWaalsContact C-N 3.35Å; F242-I245 PolarHBondContact O-N 2.04Å; F242-Y246 HydrophobicContact CB-CD2 4.36Å; F242-Y246 AromaticContact CD1-CD2 3.72Å; F242-Y246 HydrophobicContact CD1-CD2 3.72Å; F242-Y246 AromaticContact CD1-CE2 3.65Å; F242-Y246 HydrophobicContact CD1-CE2 3.65Å; F242-Y246 HydrophobicContact CE1-CD2 4.41Å; F242-Y246 AromaticContact CE1-CE2 3.89Å; F242-Y246 HydrophobicContact CE1-CE2 3.89Å; F242-Y246 HydrophobicContact CG-CD2 4.32Å; F242-Y246 HydrophobicContact CG-CE2 4.39Å; F242-Y246 WeakPolarHBondContact O-CB 3.43Å; F242-Y246 WeakPolarHBondContact O-CD2 3.47Å; F242-Y246 PolarHBondContact O-N 3Å; F242-A250 HydrophobicContact CB-CB 4.29Å; F242-Q253 HydrophobicContact CD1-CB 4.19Å; F242-Q253 HydrophobicContact CE1-CB 4.47Å; F242-L254 HydrophobicContact CB-CB 4.42Å; F242-L254 HydrophobicContact CD1-CB 3.8Å; F242-L254 HydrophobicContact CD1-CD1 4.13Å; F242-L254 HydrophobicContact CD2-CD1 3.79Å; F242-L254 HydrophobicContact CE1-CB 4.24Å; F242-L254 HydrophobicContact CE1-CD1 4.11Å; F242-L254 HydrophobicContact CE2-CD1 3.77Å; F242-L254 HydrophobicContact CG-CB 4.08Å; F242-L254 HydrophobicContact CG-CD1 3.98Å; F242-L254 HydrophobicContact CG-CG 4.5Å; F242-L254 HydrophobicContact CZ-CD1 3.93Å; F242-Y257 HydrophobicContact CE1-CD1 4.47Å; F242-Y257 HydrophobicContact CE1-CG 4.19Å; F242-Y257 HydrophobicContact CE2-CD1 4.29Å; F242-Y257 HydrophobicContact CE2-CE1 4.5Å; F242-Y257 AromaticContact CZ-CD1 3.66Å; F242-Y257 HydrophobicContact CZ-CD1 3.66Å; F242-Y257 HydrophobicContact CZ-CD2 4.19Å; F242-Y257 HydrophobicContact CZ-CE1 4.17Å; F242-Y257 AromaticContact CZ-CG 3.66Å; F242-Y257 HydrophobicContact CZ-CG 3.66Å; F242-F469 HydrophobicContact CZ-CE1 4.42Å
243	K	77.5	Confident	78.5	Confident	119 Å²	119	57.9 Å²	57.9	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-37.8	175.7	-169.5	172.1	-178.5	178	0	112.4	W239 Q240 V241 A247 A250	W239-K243 HydrophobicContact CZ2-CD 4.33Å; W239-K243 VanDerWaalsContact O-CB 3.31Å; W239-K243 WeakPolarHBondContact O-CB 3.44Å; W239-K243 PolarHBondContact O-N 3.14Å; Q240-K243 PolarHBondContact O-N 2.9Å; V241-K243 VanDerWaalsContact C-N 3.35Å; V241-K243 PolarHBondContact O-N 3.14Å; K243-A247 VanDerWaalsContact O-CA 3.26Å; K243-A247 WeakPolarHBondContact O-CA 3.49Å; K243-A247 PolarHBondContact O-N 3.41Å; K243-A250 HydrophobicContact CB-CB 4.21Å
244	S	75.1	Confident	77.9	Confident	105 Å²	105	57.9 Å²	57.9	73%	0.734	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-43	173	168.1	0	0	0	0	111.8	Q240 V241 F242	Q240-S244 WeakPolarHBondContact O-CB 3.05Å; Q240-S244 PolarHBondContact O-N 3.4Å; V241-S244 WeakPolarHBondContact O-CB 3.29Å; V241-S244 PolarHBondContact O-N 3.46Å; F242-S244 VanDerWaalsContact C-N 3.35Å
245	I	66.3	Low	77.1	Confident	92 Å²	92	59 Å²	59	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-82.6	-43.2	-173.4	-61.8	167.3	0	0	0	112.4	V241 F242	V241-I245 HydrophobicContact CG1-CD1 3.92Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 3.39Å; V241-I245 VanDerWaalsContact O-N 3.16Å; F242-I245 PolarHBondContact O-N 2.04Å
246	Y	69.9	Low	76.2	Confident	52 Å²	52	60.1 Å²	60.1	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-112.3	0.3	-168.7	-57.4	-72.6	0	0	0	114.2	F242 S248 K249 Q253 F469	F242-Y246 HydrophobicContact CB-CD2 4.36Å; F242-Y246 AromaticContact CD1-CD2 3.72Å; F242-Y246 HydrophobicContact CD1-CD2 3.72Å; F242-Y246 AromaticContact CD1-CE2 3.65Å; F242-Y246 HydrophobicContact CD1-CE2 3.65Å; F242-Y246 HydrophobicContact CE1-CD2 4.41Å; F242-Y246 AromaticContact CE1-CE2 3.89Å; F242-Y246 HydrophobicContact CE1-CE2 3.89Å; F242-Y246 HydrophobicContact CG-CD2 4.32Å; F242-Y246 HydrophobicContact CG-CE2 4.39Å; F242-Y246 WeakPolarHBondContact O-CB 3.43Å; F242-Y246 WeakPolarHBondContact O-CD2 3.47Å; F242-Y246 PolarHBondContact O-N 3Å; Y246-S248 PolarHBondContact O-N 3.34Å; Y246-S248 VanDerWaalsContact O-N 3.09Å; Y246-K249 PolarHBondContact O-N 2.91Å; Y246-Q253 HydrophobicContact CD1-CB 4.39Å; Y246-Q253 HydrophobicContact CD1-CG 3.8Å; Y246-Q253 HydrophobicContact CD2-CB 3.83Å; Y246-Q253 HydrophobicContact CD2-CG 4.14Å; Y246-Q253 HydrophobicContact CE1-CG 4.21Å; Y246-Q253 HydrophobicContact CE2-CB 4.12Å; Y246-Q253 HydrophobicContact CG-CB 3.98Å; Y246-Q253 HydrophobicContact CG-CG 3.75Å; Y246-F469 VanDerWaalsContact OH-CZ 3.29Å; Y246-F469 WeakPolarHBondContact OH-CZ 3.33Å
247	A	76.2	Confident	75.7	Confident	68 Å²	68	58.8 Å²	58.8	56%	0.562	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	49	-112	178.1	0	0	0	0	0	112.9	K243 K249 A250	K243-A247 VanDerWaalsContact O-CA 3.26Å; K243-A247 WeakPolarHBondContact O-CA 3.49Å; K243-A247 PolarHBondContact O-N 3.41Å; A247-K249 VanDerWaalsContact C-N 3.28Å; A247-K249 PolarHBondContact O-N 3.47Å; A247-A250 WeakPolarHBondContact O-CB 3.14Å; A247-A250 PolarHBondContact O-N 3.19Å
248	S	66.4	Low	75.5	Confident	123 Å²	123	54.9 Å²	54.9	86%	0.86	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72.5	-15.5	-177.8	56	0	0	0	0	114.4	Y246	Y246-S248 PolarHBondContact O-N 3.34Å; Y246-S248 VanDerWaalsContact O-N 3.09Å
249	K	68.7	Low	74.8	Confident	127 Å²	127	55.7 Å²	55.7	55%	0.552	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-96.5	5.6	178.6	-64.8	-168.4	176	-169.2	0	114	Y246 A247 E251 E252 Q253	Y246-K249 PolarHBondContact O-N 2.91Å; A247-K249 VanDerWaalsContact C-N 3.28Å; A247-K249 PolarHBondContact O-N 3.47Å; K249-E251 VanDerWaalsContact C-N 3.32Å; K249-E251 PolarHBondContact O-N 3.45Å; K249-E252 PolarHBondContact O-N 3.49Å; K249-Q253 HydrophobicContact CB-CG 4.34Å; K249-Q253 WeakPolarHBondContact O-CG 3.09Å; K249-Q253 PolarHBondContact O-N 3.26Å
250	A	74.2	Confident	74.2	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-58	-39	-172.7	0	0	0	0	0	114.2	W239 F242 K243 A247 Q253 L254	W239-A250 HydrophobicContact CH2-CB 4.29Å; W239-A250 HydrophobicContact CZ3-CB 4.23Å; F242-A250 HydrophobicContact CB-CB 4.29Å; K243-A250 HydrophobicContact CB-CB 4.21Å; A247-A250 WeakPolarHBondContact O-CB 3.14Å; A247-A250 PolarHBondContact O-N 3.19Å; A250-Q253 PolarHBondContact O-N 2.81Å; A250-L254 WeakPolarHBondContact O-CB 3.4Å; A250-L254 PolarHBondContact O-N 2.65Å
251	E	72.8	Confident	73.9	Confident	53 Å²	53	49.7 Å²	49.7	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-48.2	177.7	-169.3	179.1	177.4	0	0	112.3	M89 T91 W239 K249 Q253 L254 Q255 I288	M89-E251 HydrophobicContact SD-CG 4.48Å; T91-E251 PolarHBondContact OG1-OE1 2.81Å; T91-E251 VanDerWaalsContact OG1-OE1 3.04Å; W239-E251 HydrophobicContact CH2-CB 4Å; W239-E251 HydrophobicContact CZ3-CB 3.94Å; K249-E251 VanDerWaalsContact C-N 3.32Å; K249-E251 PolarHBondContact O-N 3.45Å; E251-Q253 PolarHBondContact O-N 2.85Å; E251-L254 PolarHBondContact O-N 2.69Å; E251-Q255 VanDerWaalsContact O-CB 3.32Å; E251-Q255 WeakPolarHBondContact O-CB 3.38Å; E251-Q255 PolarHBondContact O-N 3.21Å; E251-I288 HydrophobicContact CG-CD1 4.13Å
252	E	70.1	Confident	73.7	Confident	106 Å²	106	46.9 Å²	46.9	50%	0.495	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-44.8	177.1	-175.1	-176.9	-178.1	0	0	111	K249 Q255 D256	K249-E252 PolarHBondContact O-N 3.49Å; E252-Q255 PolarHBondContact O-N 2.78Å; E252-D256 WeakPolarHBondContact O-CB 2.93Å; E252-D256 PolarHBondContact O-N 3.17Å
253	Q	73.8	Confident	73.4	Confident	49 Å²	49	47.9 Å²	47.9	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-39.9	-179.5	-65.5	-61.6	-63	0	0	112.6	F242 Y246 K249 A250 E251 D256 Y257	F242-Q253 HydrophobicContact CD1-CB 4.19Å; F242-Q253 HydrophobicContact CE1-CB 4.47Å; Y246-Q253 HydrophobicContact CD1-CB 4.39Å; Y246-Q253 HydrophobicContact CD1-CG 3.8Å; Y246-Q253 HydrophobicContact CD2-CB 3.83Å; Y246-Q253 HydrophobicContact CD2-CG 4.14Å; Y246-Q253 HydrophobicContact CE1-CG 4.21Å; Y246-Q253 HydrophobicContact CE2-CB 4.12Å; Y246-Q253 HydrophobicContact CG-CB 3.98Å; Y246-Q253 HydrophobicContact CG-CG 3.75Å; K249-Q253 HydrophobicContact CB-CG 4.34Å; K249-Q253 WeakPolarHBondContact O-CG 3.09Å; K249-Q253 PolarHBondContact O-N 3.26Å; A250-Q253 PolarHBondContact O-N 2.81Å; E251-Q253 PolarHBondContact O-N 2.85Å; Q253-D256 PolarHBondContact O-N 3.37Å; Q253-Y257 VanDerWaalsContact O-CB 3.22Å; Q253-Y257 WeakPolarHBondContact O-CB 3.29Å; Q253-Y257 PolarHBondContact O-N 2.82Å
254	L	79	Confident	73.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-38.3	177.6	-177.4	58.6	0	0	0	111.6	T234 L238 W239 F242 A250 E251 Y257 A258 I288	T234-L254 HydrophobicContact CG2-CD1 4.01Å; T234-L254 HydrophobicContact CG2-CD2 4.17Å; T234-L254 HydrophobicContact CG2-CG 4.16Å; L238-L254 HydrophobicContact CD2-CD1 4.15Å; L238-L254 HydrophobicContact CG-CD1 4.22Å; W239-L254 HydrophobicContact CE3-CD2 3.91Å; F242-L254 HydrophobicContact CB-CB 4.42Å; F242-L254 HydrophobicContact CD1-CB 3.8Å; F242-L254 HydrophobicContact CD1-CD1 4.13Å; F242-L254 HydrophobicContact CD2-CD1 3.79Å; F242-L254 HydrophobicContact CE1-CB 4.24Å; F242-L254 HydrophobicContact CE1-CD1 4.11Å; F242-L254 HydrophobicContact CE2-CD1 3.77Å; F242-L254 HydrophobicContact CG-CB 4.08Å; F242-L254 HydrophobicContact CG-CD1 3.98Å; F242-L254 HydrophobicContact CG-CG 4.5Å; F242-L254 HydrophobicContact CZ-CD1 3.93Å; A250-L254 WeakPolarHBondContact O-CB 3.4Å; A250-L254 PolarHBondContact O-N 2.65Å; E251-L254 PolarHBondContact O-N 2.69Å; L254-Y257 HydrophobicContact CD1-CD1 4.27Å; L254-Y257 PolarHBondContact O-N 2.78Å; L254-A258 WeakPolarHBondContact O-CB 3.24Å; L254-A258 PolarHBondContact O-N 2.72Å; L254-I288 HydrophobicContact CD2-CD1 4.25Å; L254-I288 HydrophobicContact CD2-CG1 4.35Å; L254-I288 HydrophobicContact CD2-CG2 3.79Å; L254-I288 HydrophobicContact CG-CD1 4.43Å
255	Q	73.9	Confident	73.5	Confident	26 Å²	26	37.3 Å²	37.3	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-50.1	172.5	-179.3	-166.5	-12.4	0	0	110.8	M89 E251 E252 Y257 A258 I259	M89-Q255 HydrophobicContact CE-CB 3.77Å; M89-Q255 HydrophobicContact CE-CG 3.47Å; M89-Q255 VanDerWaalsContact CE-CG 3.47Å; E251-Q255 VanDerWaalsContact O-CB 3.32Å; E251-Q255 WeakPolarHBondContact O-CB 3.38Å; E251-Q255 PolarHBondContact O-N 3.21Å; E252-Q255 PolarHBondContact O-N 2.78Å; Q255-Y257 VanDerWaalsContact C-N 3.28Å; Q255-Y257 PolarHBondContact O-N 2.99Å; Q255-A258 PolarHBondContact O-N 2.81Å; Q255-I259 HydrophobicContact CG-CD1 3.85Å; Q255-I259 WeakPolarHBondContact O-CG1 3.47Å; Q255-I259 PolarHBondContact O-N 3.46Å
256	D	70	Confident	73.7	Confident	28 Å²	28	33.6 Å²	33.6	15%	0.15	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-38.6	179.8	-84.8	-22.6	0	0	0	112.2	E252 Q253 S260 R460	E252-D256 WeakPolarHBondContact O-CB 2.93Å; E252-D256 PolarHBondContact O-N 3.17Å; Q253-D256 PolarHBondContact O-N 3.37Å; D256-S260 VanDerWaalsContact O-CB 3.26Å; D256-S260 WeakPolarHBondContact O-CB 3.49Å; D256-S260 PolarHBondContact O-N 2.92Å; D256-S260 VanDerWaalsContact O-N 3.07Å; D256-S260 PolarHBondContact O-OG 2.98Å; D256-R460 IonicContact OD1-CZ 2.92Å; D256-R460 VanDerWaalsContact OD1-CZ 3.27Å; D256-R460 IonicContact OD1-NH1 2.81Å; D256-R460 PolarHBondContact OD1-NH1 3.45Å; D256-R460 VanDerWaalsContact OD1-NH1 3.08Å; D256-R460 IonicContact OD1-NH2 3.76Å; D256-R460 PolarHBondContact OD1-NH2 3.42Å; D256-R460 IonicContact OD2-CZ 3.15Å; D256-R460 IonicContact OD2-NH2 2.67Å; D256-R460 PolarHBondContact OD2-NH2 3.43Å
257	Y	75.1	Confident	73.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-52.4	173.5	176.3	-105.9	0	0	0	111.7	F242 Q253 L254 Q255 I259 S260 L261 G366 H368 L369 F469	F242-Y257 HydrophobicContact CE1-CD1 4.47Å; F242-Y257 HydrophobicContact CE1-CG 4.19Å; F242-Y257 HydrophobicContact CE2-CD1 4.29Å; F242-Y257 HydrophobicContact CE2-CE1 4.5Å; F242-Y257 AromaticContact CZ-CD1 3.66Å; F242-Y257 HydrophobicContact CZ-CD1 3.66Å; F242-Y257 HydrophobicContact CZ-CD2 4.19Å; F242-Y257 HydrophobicContact CZ-CE1 4.17Å; F242-Y257 AromaticContact CZ-CG 3.66Å; F242-Y257 HydrophobicContact CZ-CG 3.66Å; Q253-Y257 VanDerWaalsContact O-CB 3.22Å; Q253-Y257 WeakPolarHBondContact O-CB 3.29Å; Q253-Y257 PolarHBondContact O-N 2.82Å; L254-Y257 HydrophobicContact CD1-CD1 4.27Å; L254-Y257 PolarHBondContact O-N 2.78Å; Q255-Y257 VanDerWaalsContact C-N 3.28Å; Q255-Y257 PolarHBondContact O-N 2.99Å; Y257-I259 PolarHBondContact O-N 3.35Å; Y257-S260 PolarHBondContact O-N 3.06Å; Y257-S260 VanDerWaalsContact O-N 3.1Å; Y257-L261 HydrophobicContact CD1-CD1 4.16Å; Y257-L261 HydrophobicContact CE1-CD1 3.56Å; Y257-L261 HydrophobicContact CE1-CG 4.3Å; Y257-L261 HydrophobicContact CE2-CD1 4.37Å; Y257-L261 HydrophobicContact CE2-CD2 4.4Å; Y257-L261 HydrophobicContact CE2-CG 4.34Å; Y257-L261 PolarHBondContact O-N 2.97Å; Y257-G366 VanDerWaalsContact CE1-O 3.22Å; Y257-G366 WeakPolarHBondContact CE1-O 3.26Å; Y257-G366 VanDerWaalsContact CZ-O 3.29Å; Y257-G366 PolarHBondContact OH-O 3.27Å; Y257-H368 WeakPolarHBondContact OH-CA 3.03Å; Y257-H368 PolarHBondContact OH-N 3.36Å; Y257-H368 PolarHBondContact OH-O 3.27Å; Y257-L369 HydrophobicContact CD2-CD2 3.68Å; Y257-L369 HydrophobicContact CD2-CG 4.33Å; Y257-L369 HydrophobicContact CE2-CD2 3.64Å; Y257-L369 HydrophobicContact CE2-CG 3.99Å; Y257-F469 HydrophobicContact CD2-CD1 4.44Å; Y257-F469 HydrophobicContact CD2-CE1 4.01Å; Y257-F469 HydrophobicContact CE2-CD1 4.3Å; Y257-F469 HydrophobicContact CE2-CE1 4.31Å
258	A	81	Confident	73.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-46.4	179.6	0	0	0	0	0	112.3	V232 L254 Q255 S260 L261 I262 L333	V232-A258 HydrophobicContact CG1-CB 4.35Å; L254-A258 WeakPolarHBondContact O-CB 3.24Å; L254-A258 PolarHBondContact O-N 2.72Å; Q255-A258 PolarHBondContact O-N 2.81Å; A258-S260 PolarHBondContact O-N 2.84Å; A258-L261 PolarHBondContact O-N 3.31Å; A258-I262 VanDerWaalsContact O-CD1 3.3Å; A258-I262 WeakPolarHBondContact O-CD1 3.21Å; A258-I262 WeakPolarHBondContact O-CG1 2.95Å; A258-I262 PolarHBondContact O-N 2.65Å; A258-I262 VanDerWaalsContact O-N 3.1Å; A258-L333 HydrophobicContact CB-CD1 4.33Å
259	I	71.8	Confident	73.3	Confident	18 Å²	18	27 Å²	27	9%	0.092	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-38.7	176.7	-69.2	171.1	0	0	0	110.8	L82 Q255 Y257 I262 N263 I286	L82-I259 HydrophobicContact CD2-CG2 4.18Å; Q255-I259 HydrophobicContact CG-CD1 3.85Å; Q255-I259 WeakPolarHBondContact O-CG1 3.47Å; Q255-I259 PolarHBondContact O-N 3.46Å; Y257-I259 PolarHBondContact O-N 3.35Å; I259-I262 PolarHBondContact O-N 2.79Å; I259-N263 VanDerWaalsContact O-CB 3.29Å; I259-N263 WeakPolarHBondContact O-CB 3.36Å; I259-N263 PolarHBondContact O-N 2.98Å; I259-I286 HydrophobicContact CD1-CD1 3.97Å; I259-I286 HydrophobicContact CG1-CD1 3.49Å; I259-I286 VanDerWaalsContact CG1-CD1 3.49Å
260	S	72.4	Confident	72.4	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-73.7	-35.6	-176.4	-56.9	0	0	0	0	112.4	D256 Y257 A258 N264 Y461	D256-S260 VanDerWaalsContact O-CB 3.26Å; D256-S260 WeakPolarHBondContact O-CB 3.49Å; D256-S260 PolarHBondContact O-N 2.92Å; D256-S260 VanDerWaalsContact O-N 3.07Å; D256-S260 PolarHBondContact O-OG 2.98Å; Y257-S260 PolarHBondContact O-N 3.06Å; Y257-S260 VanDerWaalsContact O-N 3.1Å; A258-S260 PolarHBondContact O-N 2.84Å; S260-N264 PolarHBondContact O-N 2.93Å; S260-Y461 WeakPolarHBondContact OG-CE2 3.36Å
261	L	76.8	Confident	71.2	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58.9	-51	168.8	-70.8	-179	0	0	0	110.9	Y257 A258 N263 N264 V265 L333 L369	Y257-L261 HydrophobicContact CD1-CD1 4.16Å; Y257-L261 HydrophobicContact CE1-CD1 3.56Å; Y257-L261 HydrophobicContact CE1-CG 4.3Å; Y257-L261 HydrophobicContact CE2-CD1 4.37Å; Y257-L261 HydrophobicContact CE2-CD2 4.4Å; Y257-L261 HydrophobicContact CE2-CG 4.34Å; Y257-L261 PolarHBondContact O-N 2.97Å; A258-L261 PolarHBondContact O-N 3.31Å; L261-N263 VanDerWaalsContact C-N 3.35Å; L261-N263 PolarHBondContact O-N 2.86Å; L261-N264 WeakPolarHBondContact O-CB 3.4Å; L261-N264 PolarHBondContact O-N 3.45Å; L261-N264 VanDerWaalsContact O-N 3.14Å; L261-V265 WeakPolarHBondContact O-CG2 3.23Å; L261-V265 PolarHBondContact O-N 2.98Å; L261-L333 HydrophobicContact CD1-CD1 3.84Å; L261-L333 HydrophobicContact CD1-CD2 3.95Å; L261-L369 HydrophobicContact CD2-CD2 4.3Å; L261-L369 WeakPolarHBondContact CD2-O 3.04Å
262	I	77.4	Confident	70	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-39.7	-177.9	-57.2	155.6	0	0	0	111.3	L230 V232 A258 I259 N264 V265 G266 V283	L230-I262 HydrophobicContact CD1-CG2 3.83Å; V232-I262 HydrophobicContact CB-CD1 4.01Å; V232-I262 HydrophobicContact CG1-CD1 4.36Å; V232-I262 HydrophobicContact CG2-CD1 3.3Å; V232-I262 HydrophobicContact CG2-CG1 3.8Å; A258-I262 VanDerWaalsContact O-CD1 3.3Å; A258-I262 WeakPolarHBondContact O-CD1 3.21Å; A258-I262 WeakPolarHBondContact O-CG1 2.95Å; A258-I262 PolarHBondContact O-N 2.65Å; A258-I262 VanDerWaalsContact O-N 3.1Å; I259-I262 PolarHBondContact O-N 2.79Å; I262-N264 VanDerWaalsContact C-N 3.27Å; I262-N264 PolarHBondContact O-N 2.99Å; I262-V265 PolarHBondContact O-N 3.48Å; I262-G266 PolarHBondContact O-N 3.14Å; I262-V283 HydrophobicContact CB-CG2 4.23Å; I262-V283 HydrophobicContact CD1-CG1 4.32Å; I262-V283 HydrophobicContact CD1-CG2 3.66Å; I262-V283 HydrophobicContact CG1-CG2 4.44Å; I262-V283 HydrophobicContact CG2-CG2 3.54Å
263	N	73	Confident	68.8	Low	31 Å²	31	21 Å²	21	17%	0.166	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-40.7	174.7	-79.2	-8.6	0	0	0	111.1	L82 I259 L261 K267 P457	L82-N263 WeakPolarHBondContact CD1-OD1 3.45Å; I259-N263 VanDerWaalsContact O-CB 3.29Å; I259-N263 WeakPolarHBondContact O-CB 3.36Å; I259-N263 PolarHBondContact O-N 2.98Å; L261-N263 VanDerWaalsContact C-N 3.35Å; L261-N263 PolarHBondContact O-N 2.86Å; N263-K267 WeakPolarHBondContact O-CG 3.18Å; N263-K267 PolarHBondContact O-N 3.44Å; N263-P457 HydrophobicContact CB-CG 3.88Å
264	N	76.1	Confident	67.5	Low	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-45.7	176.3	-159.1	48.5	0	0	0	111.2	S260 L261 I262 G266 K267 L268 S372 P457 L508 E509	S260-N264 PolarHBondContact O-N 2.93Å; L261-N264 WeakPolarHBondContact O-CB 3.4Å; L261-N264 PolarHBondContact O-N 3.45Å; L261-N264 VanDerWaalsContact O-N 3.14Å; I262-N264 VanDerWaalsContact C-N 3.27Å; I262-N264 PolarHBondContact O-N 2.99Å; N264-G266 VanDerWaalsContact C-N 3.3Å; N264-G266 PolarHBondContact O-N 3.34Å; N264-K267 WeakPolarHBondContact O-CA 3.24Å; N264-K267 WeakPolarHBondContact O-CB 3.31Å; N264-K267 PolarHBondContact O-N 3.19Å; N264-L268 WeakPolarHBondContact O-CG 2.97Å; N264-L268 PolarHBondContact O-N 2.03Å; N264-S372 PolarHBondContact ND2-OG 3.42Å; N264-P457 HydrophobicContact CB-CB 4.25Å; N264-P457 HydrophobicContact CB-CG 3.82Å; N264-L508 HydrophobicContact CB-CD2 4.34Å; N264-L508 VanDerWaalsContact ND2-CD2 3.27Å; N264-L508 WeakPolarHBondContact ND2-CD2 3.37Å; N264-E509 PolarHBondContact OD1-N 3.14Å
265	V	78.2	Confident	66.2	Low	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.1	-45.6	174.9	174.5	0	0	0	0	111.1	L261 I262 K267 L268 T269 S372 M375 A376 M379	L261-V265 WeakPolarHBondContact O-CG2 3.23Å; L261-V265 PolarHBondContact O-N 2.98Å; I262-V265 PolarHBondContact O-N 3.48Å; V265-K267 PolarHBondContact O-N 3.19Å; V265-L268 PolarHBondContact O-N 3.42Å; V265-L268 VanDerWaalsContact O-N 3.07Å; V265-T269 HydrophobicContact CG1-CG2 4.16Å; V265-T269 WeakPolarHBondContact O-CG2 3.33Å; V265-T269 PolarHBondContact O-N 3.44Å; V265-T269 PolarHBondContact O-OG1 3Å; V265-S372 VanDerWaalsContact CG2-O 3.27Å; V265-S372 WeakPolarHBondContact CG2-O 3.07Å; V265-M375 HydrophobicContact CG2-CB 3.93Å; V265-M375 HydrophobicContact CG2-CG 3.95Å; V265-M375 HydrophobicContact CG2-SD 3.87Å; V265-A376 HydrophobicContact CG1-CB 4.35Å; V265-M379 HydrophobicContact CG1-SD 3.7Å
266	G	71.6	Confident	65.1	Low	15 Å²	15	32.9 Å²	32.9	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-23.8	176.9	0	0	0	0	0	113.8	I262 N264 T269 V270	I262-G266 PolarHBondContact O-N 3.14Å; N264-G266 VanDerWaalsContact C-N 3.3Å; N264-G266 PolarHBondContact O-N 3.34Å; G266-T269 WeakPolarHBondContact CA-OG1 3.21Å; G266-T269 PolarHBondContact O-OG1 3.49Å; G266-V270 WeakPolarHBondContact O-CB 3.03Å; G266-V270 WeakPolarHBondContact O-CG2 3.33Å
267	K	69.3	Low	64.4	Low	83 Å²	83	32.3 Å²	32.3	36%	0.361	18%	0.183	S	C	.	.	H	α-helix	trans	-81	-39.5	171.6	-63.7	-64.1	171.5	178	0	111.7	N263 N264 V265 V270 S271 L456 E509	N263-K267 WeakPolarHBondContact O-CG 3.18Å; N263-K267 PolarHBondContact O-N 3.44Å; N264-K267 WeakPolarHBondContact O-CA 3.24Å; N264-K267 WeakPolarHBondContact O-CB 3.31Å; N264-K267 PolarHBondContact O-N 3.19Å; V265-K267 PolarHBondContact O-N 3.19Å; K267-V270 PolarHBondContact O-N 3.3Å; K267-S271 VanDerWaalsContact O-CB 3.24Å; K267-S271 WeakPolarHBondContact O-CB 3.32Å; K267-S271 PolarHBondContact O-N 3.42Å; K267-S271 VanDerWaalsContact O-N 3.12Å; K267-S271 PolarHBondContact O-OG 2.95Å; K267-L456 HydrophobicContact CD-CD2 3.99Å; K267-L456 VanDerWaalsContact CE-CD2 3.44Å; K267-L456 HydrophobicContact CG-CD2 4.13Å; K267-E509 HydrophobicContact CB-CB 4.49Å; K267-E509 HydrophobicContact CB-CG 4.03Å
268	L	70.7	Confident	63.7	Low	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-37.9	176.3	-62.9	172.6	0	0	0	112.4	N264 V265 F373 A376 L400 W412	N264-L268 WeakPolarHBondContact O-CG 2.97Å; N264-L268 PolarHBondContact O-N 2.03Å; V265-L268 PolarHBondContact O-N 3.42Å; V265-L268 VanDerWaalsContact O-N 3.07Å; L268-F373 HydrophobicContact CD1-CD1 3.57Å; L268-F373 HydrophobicContact CD1-CE1 3.84Å; L268-F373 HydrophobicContact CD1-CG 4.39Å; L268-F373 HydrophobicContact CD2-CD1 4.27Å; L268-F373 HydrophobicContact CD2-CE1 3.92Å; L268-A376 HydrophobicContact CB-CB 4.41Å; L268-A376 HydrophobicContact CD1-CB 4.04Å; L268-L400 HydrophobicContact CB-CD1 4.39Å; L268-W412 PolarHBondContact O-NE1 3.11Å
269	T	63.4	Low	62.9	Low	20 Å²	20	39.4 Å²	39.4	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-73.2	-30.1	178.6	54.9	0	0	0	0	113	V265 G266 W412	V265-T269 HydrophobicContact CG1-CG2 4.16Å; V265-T269 WeakPolarHBondContact O-CG2 3.33Å; V265-T269 PolarHBondContact O-N 3.44Å; V265-T269 PolarHBondContact O-OG1 3Å; G266-T269 WeakPolarHBondContact CA-OG1 3.21Å; G266-T269 PolarHBondContact O-OG1 3.49Å; T269-W412 HydrophobicContact CG2-CZ2 4.23Å
270	V	50.7	Low	62.6	Low	58 Å²	58	42.9 Å²	42.9	35%	0.352	24%	0.235	S	C	.	.	H	α-helix	trans	-85.5	-29.3	-177.4	173.1	0	0	0	0	112.8	G266 K267 T272 A279	G266-V270 WeakPolarHBondContact O-CB 3.03Å; G266-V270 WeakPolarHBondContact O-CG2 3.33Å; K267-V270 PolarHBondContact O-N 3.3Å; V270-T272 PolarHBondContact O-N 2.04Å; V270-A279 WeakPolarHBondContact CG2-O 3.37Å
271	S	48	Very low	62.4	Low	41 Å²	41	44 Å²	44	29%	0.287	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.7	-158.9	76	0	0	0	0	117.1	K267 N521	K267-S271 VanDerWaalsContact O-CB 3.24Å; K267-S271 WeakPolarHBondContact O-CB 3.32Å; K267-S271 PolarHBondContact O-N 3.42Å; K267-S271 VanDerWaalsContact O-N 3.12Å; K267-S271 PolarHBondContact O-OG 2.95Å; S271-N521 WeakPolarHBondContact CB-OD1 3.42Å; S271-N521 PolarHBondContact OG-OD1 3.16Å
272	T	47.4	Very low	61.8	Low	37 Å²	37	45 Å²	45	23%	0.227	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-3.3	-177.7	76.9	0	0	0	0	115.3	V270 N274 A411 W412	V270-T272 PolarHBondContact O-N 2.04Å; T272-N274 PolarHBondContact O-N 2.91Å; T272-A411 HydrophobicContact CG2-CB 3.62Å; T272-W412 WeakPolarHBondContact OG1-CB 3.1Å
273	A	45.4	Very low	60.9	Low	25 Å²	25	45.3 Å²	45.3	21%	0.207	25%	0.25	C	C	.	.			trans	-82.5	94	-177.7	0	0	0	0	0	109.9	Y275	A273-Y275 HydrophobicContact CB-CD2 4.04Å; A273-Y275 PolarHBondContact O-N 2.95Å
274	N	47.1	Very low	60.3	Low	169 Å²	169	45.4 Å²	45.4	90%	0.904	25%	0.251	S	S	*	.			trans	-69.4	34.2	164.2	-116.9	4.7	0	0	0	111.8	T272	T272-N274 PolarHBondContact O-N 2.91Å
275	Y	51.7	Low	59.9	Low	91 Å²	91	45.5 Å²	45.5	36%	0.357	25%	0.252	S	S	.	.	S	Bend	trans	-121.5	159.1	-169.4	-61.1	-74.2	0	0	0	111.1	A273 T277 T417	A273-Y275 HydrophobicContact CB-CD2 4.04Å; A273-Y275 PolarHBondContact O-N 2.95Å; Y275-T277 VanDerWaalsContact C-N 3.25Å; Y275-T277 PolarHBondContact O-N 3.43Å; Y275-T417 HydrophobicContact CD2-CG2 3.59Å; Y275-T417 HydrophobicContact CE2-CG2 3.08Å
276	S	50.9	Low	59.6	Low	66 Å²	66	45.6 Å²	45.6	46%	0.462	25%	0.252	S	S	.	.	S	Bend	trans	-59.9	-34.2	-176.6	53.5	0	0	0	0	113.1	D224	D224-S276 WeakPolarHBondContact CA-O 3.46Å
277	T	54.8	Low	59.8	Low	16 Å²	16	45 Å²	45	10%	0.098	25%	0.245	C	C	.	.			trans	-104.6	117.5	-174.2	-56	0	0	0	0	111.8	L222 P223 D224 L226 Y275	L222-T277 WeakPolarHBondContact CB-OG1 3.49Å; P223-T277 VanDerWaalsContact O-CB 3.28Å; P223-T277 WeakPolarHBondContact O-CB 3.44Å; P223-T277 WeakPolarHBondContact O-CG2 3.34Å; P223-T277 PolarHBondContact O-OG1 2.9Å; D224-T277 CarbonylContact O-C 3.51Å; D224-T277 WeakPolarHBondContact O-CA 3.47Å; L226-T277 HydrophobicContact CB-CG2 4.4Å; L226-T277 HydrophobicContact CD1-CG2 3.59Å; L226-T277 HydrophobicContact CG-CG2 3.63Å; Y275-T277 VanDerWaalsContact C-N 3.25Å; Y275-T277 PolarHBondContact O-N 3.43Å
278	K	60.3	Low	60.2	Low	112 Å²	112	41 Å²	41	49%	0.487	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.1	175.9	-65.2	177.4	-178.9	173.8	0	110.5	D224 I225 L226	D224-K278 PolarHBondContact O-N 2.91Å; I225-K278 CarbonylContact C-O 3.59Å; I225-K278 VanDerWaalsContact CA-O 3.27Å; I225-K278 WeakPolarHBondContact CA-O 3.42Å; L226-K278 PolarHBondContact N-O 2.87Å
279	A	63.3	Low	60.5	Low	36 Å²	36	41.2 Å²	41.2	30%	0.298	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.2	170.8	0	0	0	0	0	110.1	L226 V270	L226-A279 CarbonylContact O-C 3.45Å; L226-A279 WeakPolarHBondContact O-CA 3.29Å; V270-A279 WeakPolarHBondContact CG2-O 3.37Å
280	K	67	Low	60.5	Low	91 Å²	91	41 Å²	41	40%	0.396	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.4	175.1	-178.1	-175.6	177.2	-172.9	0	109.2	I225 L226 T227 L228	I225-K280 HydrophobicContact CG2-CB 3.86Å; L226-K280 PolarHBondContact O-N 3.04Å; T227-K280 CarbonylContact C-O 3.55Å; T227-K280 WeakPolarHBondContact CA-O 3.47Å; L228-K280 PolarHBondContact N-O 3.44Å
281	N	66.9	Low	61.1	Low	26 Å²	26	40.4 Å²	40.4	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	135.5	172.7	-64.4	-10.4	0	0	0	110.2	L230	L230-N281 HydrophobicContact CD1-CB 3.84Å
282	S	65.8	Low	61.8	Low	21 Å²	21	43.7 Å²	43.7	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117	176.3	-179	0	0	0	0	109	L228 E229 L230 V284	L228-S282 PolarHBondContact O-N 2.87Å; E229-S282 CarbonylContact C-O 3.54Å; E229-S282 WeakPolarHBondContact CA-O 3.3Å; L230-S282 PolarHBondContact N-O 3.12Å; S282-V284 PolarHBondContact O-N 2.03Å
283	V	57.5	Low	63.2	Low	12 Å²	12	44.4 Å²	44.4	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.4	179	-175.7	0	0	0	0	109.4	G84 I262 I286	G84-V283 PolarHBondContact N-O 3.1Å; I262-V283 HydrophobicContact CB-CG2 4.23Å; I262-V283 HydrophobicContact CD1-CG1 4.32Å; I262-V283 HydrophobicContact CD1-CG2 3.66Å; I262-V283 HydrophobicContact CG1-CG2 4.44Å; I262-V283 HydrophobicContact CG2-CG2 3.54Å; V283-I286 HydrophobicContact CG1-CD1 4.2Å; V283-I286 HydrophobicContact CG1-CG1 3.73Å
284	V	60.7	Low	64.6	Low	33 Å²	33	48.8 Å²	48.8	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-28.6	179.5	-178.5	0	0	0	0	111.1	A87 A88 E229 L230 S282	A87-V284 WeakPolarHBondContact CA-O 3.46Å; A87-V284 WeakPolarHBondContact CB-O 3.22Å; A88-V284 PolarHBondContact N-O 2.75Å; E229-V284 HydrophobicContact CB-CG2 3.62Å; E229-V284 HydrophobicContact CG-CG2 3.71Å; L230-V284 PolarHBondContact O-N 2.98Å; S282-V284 PolarHBondContact O-N 2.03Å
285	L	66.8	Low	66.2	Low	3 Å²	3	42.6 Å²	42.6	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134	-179.6	179.5	63.9	0	0	0	111.4	A88 V90 L230 A231 V232 F233 C287 M325 W327	A88-L285 HydrophobicContact CB-CD1 4.11Å; A88-L285 WeakPolarHBondContact O-CD1 3.32Å; V90-L285 HydrophobicContact CG2-CD1 3.97Å; L230-L285 PolarHBondContact O-N 2.8Å; A231-L285 CarbonylContact C-O 3.48Å; A231-L285 WeakPolarHBondContact CA-O 3.38Å; A231-L285 HydrophobicContact CB-CB 3.93Å; A231-L285 HydrophobicContact CB-CD2 4.17Å; A231-L285 HydrophobicContact CB-CG 4.46Å; V232-L285 PolarHBondContact N-O 3.5Å; F233-L285 HydrophobicContact CZ-CD2 4.06Å; L285-C287 HydrophobicContact CD2-CB 4.38Å; L285-C287 HydrophobicContact CG-CB 4.29Å; L285-M325 HydrophobicContact CD1-CE 3.65Å; L285-M325 HydrophobicContact CD2-CE 3.99Å; L285-M325 HydrophobicContact CG-CE 4.42Å; L285-W327 HydrophobicContact CD2-CE3 3.98Å; L285-W327 HydrophobicContact CD2-CH2 4.23Å; L285-W327 HydrophobicContact CD2-CZ3 3.55Å
286	I	71.4	Confident	67.7	Low	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.2	161.3	-58.8	178	0	0	0	107	A88 M89 V90 V232 I259 V283 I288	A88-I286 PolarHBondContact O-N 2.75Å; A88-I286 VanDerWaalsContact O-N 3.09Å; M89-I286 WeakPolarHBondContact CA-O 3.47Å; V90-I286 PolarHBondContact N-O 2.63Å; V90-I286 VanDerWaalsContact N-O 3.14Å; V232-I286 CarbonylContact O-C 3.4Å; V232-I286 WeakPolarHBondContact O-CA 3.31Å; I259-I286 HydrophobicContact CD1-CD1 3.97Å; I259-I286 HydrophobicContact CG1-CD1 3.49Å; I259-I286 VanDerWaalsContact CG1-CD1 3.49Å; V283-I286 HydrophobicContact CG1-CD1 4.2Å; V283-I286 HydrophobicContact CG1-CG1 3.73Å; I286-I288 HydrophobicContact CG2-CG1 4.49Å
287	C	77.3	Confident	69	Low	2 Å²	2	37.7 Å²	37.7	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.8	-179.6	-170.2	0	0	0	0	110	V90 V232 F233 T234 L285	V90-C287 WeakPolarHBondContact O-CA 3.36Å; V90-C287 PolarHBondContact O-SG 2.73Å; V232-C287 PolarHBondContact O-N 3.34Å; F233-C287 CarbonylContact C-O 3.59Å; F233-C287 VanDerWaalsContact CA-O 3.3Å; F233-C287 WeakPolarHBondContact CA-O 3.49Å; F233-C287 HydrophobicContact CD1-CB 3.54Å; F233-C287 HydrophobicContact CE1-CB 3.69Å; F233-C287 HydrophobicContact CG-CB 4.26Å; T234-C287 PolarHBondContact N-O 2.03Å; T234-C287 PolarHBondContact OG1-O 2.85Å; L285-C287 HydrophobicContact CD2-CB 4.38Å; L285-C287 HydrophobicContact CG-CB 4.29Å
288	I	77.4	Confident	70.2	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.3	175.5	-56.2	175.4	0	0	0	108.2	V90 T91 R92 T234 W239 E251 L254 I286 C290	V90-I288 PolarHBondContact O-N 3.35Å; T91-I288 WeakPolarHBondContact CA-O 3.37Å; R92-I288 PolarHBondContact N-O 2.74Å; T234-I288 VanDerWaalsContact OG1-CA 3.32Å; T234-I288 WeakPolarHBondContact OG1-CA 3.47Å; W239-I288 HydrophobicContact CD2-CG2 4.36Å; W239-I288 HydrophobicContact CE3-CG2 3.67Å; W239-I288 HydrophobicContact CZ3-CG2 4.12Å; E251-I288 HydrophobicContact CG-CD1 4.13Å; L254-I288 HydrophobicContact CD2-CD1 4.25Å; L254-I288 HydrophobicContact CD2-CG1 4.35Å; L254-I288 HydrophobicContact CD2-CG2 3.79Å; L254-I288 HydrophobicContact CG-CD1 4.43Å; I286-I288 HydrophobicContact CG2-CG1 4.49Å; I288-C290 VanDerWaalsContact C-N 3.3Å; I288-C290 WeakPolarHBondContact CG2-SG 3.44Å; I288-C290 PolarHBondContact O-N 3.5Å; I288-C290 VanDerWaalsContact O-N 3.11Å
289	L	76.5	Confident	71.1	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	79.6	174	-52.4	174.1	0	0	0	107.7	R92 T234 D235 D236 C291 L296 F316	R92-L289 HydrophobicContact CB-CD2 4.16Å; R92-L289 HydrophobicContact CG-CD2 4.32Å; T234-L289 WeakPolarHBondContact O-CA 3.34Å; T234-L289 WeakPolarHBondContact O-CB 3.33Å; T234-L289 VanDerWaalsContact O-CG 3.25Å; T234-L289 WeakPolarHBondContact O-CG 3.26Å; T234-L289 PolarHBondContact O-N 3.48Å; D235-L289 CarbonylContact C-O 3.59Å; D236-L289 WeakPolarHBondContact CA-O 3.05Å; D236-L289 PolarHBondContact N-O 3.43Å; D236-L289 VanDerWaalsContact N-O 3.13Å; L289-C291 PolarHBondContact O-N 3.48Å; L289-L296 HydrophobicContact CD1-CD1 3.81Å; L289-F316 HydrophobicContact CD1-CE1 4.48Å; L289-F316 HydrophobicContact CD2-CZ 4.42Å
290	C	63.6	Low	72	Confident	17 Å²	17	38.9 Å²	38.9	12%	0.115	21%	0.212	C	C	.	.			trans	-66.4	-18.5	179.7	-67.8	0	0	0	0	113.3	T91 R92 W239 I288	T91-C290 HydrophobicContact CG2-CB 4.3Å; T91-C290 WeakPolarHBondContact CG2-SG 3.49Å; R92-C290 PolarHBondContact O-N 2.94Å; W239-C290 HydrophobicContact CD2-CB 4.03Å; W239-C290 HydrophobicContact CG-CB 4.12Å; W239-C290 HydrophobicContact CZ2-CB 4.21Å; W239-C290 VanDerWaalsContact CZ2-SG 3.56Å; W239-C290 PolarHBondContact NE1-O 3.22Å; I288-C290 VanDerWaalsContact C-N 3.3Å; I288-C290 WeakPolarHBondContact CG2-SG 3.44Å; I288-C290 PolarHBondContact O-N 3.5Å; I288-C290 VanDerWaalsContact O-N 3.11Å
291	C	62.4	Low	72.9	Confident	44 Å²	44	34.6 Å²	34.6	30%	0.297	19%	0.193	S	C	.	.	S	Bend	trans	-130.4	161	-176.2	-70.1	0	0	0	0	110.6	R92 D93 A94 L289 E293	R92-C291 PolarHBondContact O-N 2.87Å; D93-C291 VanDerWaalsContact CA-SG 3.57Å; A94-C291 HydrophobicContact CB-CB 3.99Å; A94-C291 PolarHBondContact N-SG 3.4Å; A94-C291 VanDerWaalsContact N-SG 3.36Å; L289-C291 PolarHBondContact O-N 3.48Å; C291-E293 PolarHBondContact O-N 3.39Å
292	F	64.2	Low	73.6	Confident	111 Å²	111	39.5 Å²	39.5	49%	0.487	21%	0.213	S	C	.	.			trans	-44.3	121.5	174	179.3	-103	0	0	0	113.3	E294 K297	F292-E294 HydrophobicContact CE1-CG 4.28Å; F292-E294 VanDerWaalsContact CE1-OE1 3.24Å; F292-E294 WeakPolarHBondContact CE1-OE1 3.26Å; F292-K297 HydrophobicContact CD2-CG 4.2Å; F292-K297 HydrophobicContact CE1-CD 4.12Å; F292-K297 HydrophobicContact CE1-CG 4.33Å; F292-K297 HydrophobicContact CE2-CB 4.21Å; F292-K297 HydrophobicContact CE2-CD 3.53Å; F292-K297 HydrophobicContact CE2-CG 3.44Å; F292-K297 VanDerWaalsContact CE2-CG 3.44Å; F292-K297 HydrophobicContact CZ-CD 3.24Å; F292-K297 HydrophobicContact CZ-CG 3.59Å; F292-K297 VanDerWaalsContact CZ-NZ 3.3Å
293	E	76.5	Confident	74.3	Confident	51 Å²	51	43.8 Å²	43.8	24%	0.238	23%	0.231	C	C	.	.			trans	-110.1	121.1	172.7	177.1	57.5	-118.1	0	0	108.8	C291 A295 L296 K297 F316	C291-E293 PolarHBondContact O-N 3.39Å; E293-A295 HydrophobicContact CG-CB 4.31Å; E293-A295 PolarHBondContact O-N 3.13Å; E293-A295 VanDerWaalsContact O-N 3.14Å; E293-L296 HydrophobicContact CB-CB 4.46Å; E293-L296 HydrophobicContact CG-CD1 4.49Å; E293-L296 HydrophobicContact CG-CG 4.39Å; E293-L296 CarbonylContact O-C 3.57Å; E293-L296 PolarHBondContact O-N 2.8Å; E293-K297 PolarHBondContact O-N 3.43Å; E293-F316 HydrophobicContact CG-CD2 4.11Å; E293-F316 HydrophobicContact CG-CE2 3.6Å; E293-F316 HydrophobicContact CG-CZ 4.08Å
294	E	74.9	Confident	75.5	Confident	118 Å²	118	43.2 Å²	43.2	55%	0.551	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-56.2	-33.7	-175.3	-78.4	-80.6	148.5	0	0	112.9	F292 L296 K297	F292-E294 HydrophobicContact CE1-CG 4.28Å; F292-E294 VanDerWaalsContact CE1-OE1 3.24Å; F292-E294 WeakPolarHBondContact CE1-OE1 3.26Å; E294-L296 VanDerWaalsContact C-N 3.27Å; E294-L296 PolarHBondContact O-N 3.36Å; E294-K297 WeakPolarHBondContact O-CG 3.42Å; E294-K297 WeakPolarHBondContact OE1-CE 3.42Å; E294-K297 IonicContact OE1-NZ 3.24Å; E294-K297 PolarHBondContact OE1-NZ 2.79Å; E294-K297 WeakPolarHBondContact OE2-CE 3.3Å; E294-K297 IonicContact OE2-NZ 2.71Å; E294-K297 PolarHBondContact OE2-NZ 3.37Å
295	A	80.7	Confident	76.8	Confident	38 Å²	38	43 Å²	43	31%	0.314	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-72.3	-19.2	178.6	0	0	0	0	0	113.8	E293 F316	E293-A295 HydrophobicContact CG-CB 4.31Å; E293-A295 PolarHBondContact O-N 3.13Å; E293-A295 VanDerWaalsContact O-N 3.14Å; A295-F316 HydrophobicContact CB-CB 4.24Å; A295-F316 HydrophobicContact CB-CD2 3.8Å; A295-F316 HydrophobicContact CB-CG 4.39Å
296	L	83.6	Confident	77.7	Confident	8 Å²	8	43 Å²	43	4%	0.042	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-125.8	27.6	-172.5	-59	177.2	0	0	0	112.1	L289 E293 E294 H301 F309 A312 F313 F316	L289-L296 HydrophobicContact CD1-CD1 3.81Å; E293-L296 HydrophobicContact CB-CB 4.46Å; E293-L296 HydrophobicContact CG-CD1 4.49Å; E293-L296 HydrophobicContact CG-CG 4.39Å; E293-L296 CarbonylContact O-C 3.57Å; E293-L296 PolarHBondContact O-N 2.8Å; E294-L296 VanDerWaalsContact C-N 3.27Å; E294-L296 PolarHBondContact O-N 3.36Å; L296-H301 PolarHBondContact O-NE2 3.32Å; L296-F309 HydrophobicContact CD2-CE2 4.39Å; L296-A312 HydrophobicContact CD2-CB 4.12Å; L296-F313 HydrophobicContact CD1-CD2 4.44Å; L296-F313 HydrophobicContact CD2-CB 4.12Å; L296-F316 HydrophobicContact CD1-CD1 3.97Å; L296-F316 HydrophobicContact CD1-CE1 4.27Å; L296-F316 HydrophobicContact CD1-CG 4.24Å; L296-F316 HydrophobicContact CD2-CB 4.31Å; L296-F316 HydrophobicContact CG-CG 4.41Å
297	K	77.6	Confident	78.3	Confident	46 Å²	46	47.1 Å²	47.1	20%	0.2	24%	0.243	C	C	.	.			trans	-65.4	148.1	175.3	-56.2	-175.1	-169.3	-169.5	0	111	F292 E293 E294 T299 V300 H301	F292-K297 HydrophobicContact CD2-CG 4.2Å; F292-K297 HydrophobicContact CE1-CD 4.12Å; F292-K297 HydrophobicContact CE1-CG 4.33Å; F292-K297 HydrophobicContact CE2-CB 4.21Å; F292-K297 HydrophobicContact CE2-CD 3.53Å; F292-K297 HydrophobicContact CE2-CG 3.44Å; F292-K297 VanDerWaalsContact CE2-CG 3.44Å; F292-K297 HydrophobicContact CZ-CD 3.24Å; F292-K297 HydrophobicContact CZ-CG 3.59Å; F292-K297 VanDerWaalsContact CZ-NZ 3.3Å; E293-K297 PolarHBondContact O-N 3.43Å; E294-K297 WeakPolarHBondContact O-CG 3.42Å; E294-K297 WeakPolarHBondContact OE1-CE 3.42Å; E294-K297 IonicContact OE1-NZ 3.24Å; E294-K297 PolarHBondContact OE1-NZ 2.79Å; E294-K297 WeakPolarHBondContact OE2-CE 3.3Å; E294-K297 IonicContact OE2-NZ 2.71Å; E294-K297 PolarHBondContact OE2-NZ 3.37Å; K297-T299 PolarHBondContact O-N 3.34Å; K297-T299 VanDerWaalsContact O-N 3.08Å; K297-V300 HydrophobicContact CB-CG2 4.14Å; K297-V300 WeakPolarHBondContact O-CB 3.41Å; K297-V300 PolarHBondContact O-N 2.83Å; K297-H301 PolarHBondContact O-CD2 3.17Å; K297-H301 PolarHBondContact O-NE2 2.78Å
298	S	80	Confident	78.8	Confident	29 Å²	29	49.9 Å²	49.9	20%	0.203	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-42.2	172	56.6	0	0	0	0	113.4	V300 H301 K302 H303	S298-V300 VanDerWaalsContact C-N 3.34Å; S298-V300 PolarHBondContact O-N 3.14Å; S298-H301 WeakPolarHBondContact CA-NE2 3.36Å; S298-H301 CarbonylContact O-C 3.48Å; S298-H301 PolarHBondContact O-N 2.95Å; S298-K302 CarbonylContact O-C 3.56Å; S298-K302 WeakPolarHBondContact O-CA 3.03Å; S298-K302 PolarHBondContact O-N 3.41Å; S298-H303 PolarHBondContact O-N 2.96Å
299	T	78.9	Confident	79.5	Confident	100 Å²	100	49.9 Å²	49.9	61%	0.613	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-30	179.9	55.1	0	0	0	0	114.2	K297 H301	K297-T299 PolarHBondContact O-N 3.34Å; K297-T299 VanDerWaalsContact O-N 3.08Å; T299-H301 VanDerWaalsContact C-N 3.29Å; T299-H301 PolarHBondContact O-N 2.73Å
300	V	81.7	Confident	80.3	Confident	61 Å²	61	49.9 Å²	49.9	37%	0.37	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-37.7	179.2	174.5	0	0	0	0	110.6	K297 S298 A312	K297-V300 HydrophobicContact CB-CG2 4.14Å; K297-V300 WeakPolarHBondContact O-CB 3.41Å; K297-V300 PolarHBondContact O-N 2.83Å; S298-V300 VanDerWaalsContact C-N 3.34Å; S298-V300 PolarHBondContact O-N 3.14Å; V300-A312 HydrophobicContact CG1-CB 3.97Å
301	H	85.9	Confident	81.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	24.1	-177.9	63.6	82.9	0	0	0	113.1	L296 K297 S298 T299 H303 G304 E305 L308 F309	L296-H301 PolarHBondContact O-NE2 3.32Å; K297-H301 PolarHBondContact O-CD2 3.17Å; K297-H301 PolarHBondContact O-NE2 2.78Å; S298-H301 WeakPolarHBondContact CA-NE2 3.36Å; S298-H301 CarbonylContact O-C 3.48Å; S298-H301 PolarHBondContact O-N 2.95Å; T299-H301 VanDerWaalsContact C-N 3.29Å; T299-H301 PolarHBondContact O-N 2.73Å; H301-H303 VanDerWaalsContact C-N 3.29Å; H301-H303 PolarHBondContact O-N 2.97Å; H301-H303 VanDerWaalsContact O-N 3.16Å; H301-G304 PolarHBondContact ND1-N 2.66Å; H301-G304 PolarHBondContact O-N 2.06Å; H301-G304 VanDerWaalsContact O-N 3.07Å; H301-E305 WeakPolarHBondContact O-CB 3.02Å; H301-E305 PolarHBondContact O-N 2.62Å; H301-L308 HydrophobicContact CB-CB 4.2Å; H301-F309 VanDerWaalsContact CB-CA 3.42Å; H301-F309 HydrophobicContact CB-CB 3.57Å; H301-F309 HydrophobicContact CB-CD2 4.1Å; H301-F309 HydrophobicContact CB-CG 3.9Å; H301-F309 AromaticContact CD2-CD2 3.6Å; H301-F309 AromaticContact CD2-CE2 3.72Å; H301-F309 AromaticContact CE1-CD1 3.86Å; H301-F309 AromaticContact CE1-CE1 3.71Å; H301-F309 AromaticContact CE1-CZ 3.83Å; H301-F309 AromaticContact CG-CD2 3.68Å; H301-F309 AromaticContact CG-CG 3.62Å; H301-F309 AromaticContact ND1-CD1 3.66Å; H301-F309 AromaticContact ND1-CG 3.7Å; H301-F309 AromaticContact NE2-CD2 3.99Å; H301-F309 AromaticContact NE2-CE2 3.7Å; H301-F309 AromaticContact NE2-CZ 3.76Å
302	K	81.9	Confident	82.9	Confident	130 Å²	130	49.3 Å²	49.3	57%	0.565	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	47.9	177.5	-59	-177.7	179.3	-179.9	0	113.8	S298 G304 E305 L308 Y339	S298-K302 CarbonylContact O-C 3.56Å; S298-K302 WeakPolarHBondContact O-CA 3.03Å; S298-K302 PolarHBondContact O-N 3.41Å; K302-G304 PolarHBondContact O-N 2.96Å; K302-E305 HydrophobicContact CB-CB 4.14Å; K302-L308 HydrophobicContact CD-CD1 3.82Å; K302-L308 HydrophobicContact CG-CD1 3.93Å; K302-Y339 PolarHBondContact O-OH 2.03Å
303	H	80.6	Confident	84.3	Confident	111 Å²	111	44 Å²	44	51%	0.514	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	21.3	176.5	-60.4	-97.9	0	0	0	115.5	S298 H301	S298-H303 PolarHBondContact O-N 2.96Å; H301-H303 VanDerWaalsContact C-N 3.29Å; H301-H303 PolarHBondContact O-N 2.97Å; H301-H303 VanDerWaalsContact O-N 3.16Å
304	G	83.2	Confident	85.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	132.3	11.6	173.2	0	0	0	0	0	114.5	H301 K302 A306 I338 Y339	H301-G304 PolarHBondContact ND1-N 2.66Å; H301-G304 PolarHBondContact O-N 2.06Å; H301-G304 VanDerWaalsContact O-N 3.07Å; K302-G304 PolarHBondContact O-N 2.96Å; G304-A306 PolarHBondContact O-N 2.82Å; G304-I338 CarbonylContact O-C 3.54Å; G304-I338 VanDerWaalsContact O-CA 3.32Å; G304-I338 WeakPolarHBondContact O-CA 3.45Å; G304-Y339 VanDerWaalsContact C-CE1 3.46Å; G304-Y339 PolarHBondContact O-N 3.04Å
305	E	86.7	Confident	85.9	Confident	29 Å²	29	41.4 Å²	41.4	14%	0.136	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-62.8	122	175.5	-166.4	-71.7	133.2	0	0	109.3	H301 K302 Q307 L308 F309 Y339	H301-E305 WeakPolarHBondContact O-CB 3.02Å; H301-E305 PolarHBondContact O-N 2.62Å; K302-E305 HydrophobicContact CB-CB 4.14Å; E305-Q307 PolarHBondContact O-N 2.94Å; E305-Q307 PolarHBondContact OE1-N 2.99Å; E305-Q307 VanDerWaalsContact OE1-N 3.14Å; E305-Q307 PolarHBondContact OE2-N 2.97Å; E305-L308 HydrophobicContact CB-CD1 4.42Å; E305-L308 HydrophobicContact CG-CD1 4.49Å; E305-L308 WeakPolarHBondContact OE2-CB 3.38Å; E305-L308 WeakPolarHBondContact OE2-CD1 3.43Å; E305-L308 WeakPolarHBondContact OE2-CG 3.42Å; E305-L308 PolarHBondContact OE2-N 3.48Å; E305-F309 VanDerWaalsContact O-CB 3.24Å; E305-F309 WeakPolarHBondContact O-CB 3.3Å; E305-F309 PolarHBondContact O-N 2.95Å; E305-Y339 CarbonylContact C-O 3.48Å; E305-Y339 WeakPolarHBondContact CA-O 3.38Å; E305-Y339 HydrophobicContact CB-CE1 4.38Å; E305-Y339 HydrophobicContact CB-CE2 4.05Å; E305-Y339 HydrophobicContact CG-CE2 4.17Å
306	A	85.7	Confident	86.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-44	-161	0	0	0	0	0	113.4	G304 L310 I338 Y339 H340 V348	G304-A306 PolarHBondContact O-N 2.82Å; A306-L310 VanDerWaalsContact O-CB 3.27Å; A306-L310 WeakPolarHBondContact O-CB 3.04Å; A306-L310 PolarHBondContact O-N 3.04Å; A306-I338 HydrophobicContact CB-CG2 3.45Å; A306-I338 VanDerWaalsContact CB-CG2 3.45Å; A306-Y339 WeakPolarHBondContact CB-O 3.49Å; A306-Y339 PolarHBondContact N-O 2.97Å; A306-H340 HydrophobicContact CB-CB 4.49Å; A306-V348 HydrophobicContact CB-CG2 3.79Å
307	Q	84.5	Confident	86.7	Confident	89 Å²	89	40.1 Å²	40.1	42%	0.416	20%	0.198	S	C	.	.	H	α-helix	trans	-71.9	-46	-175.6	-175.2	58.4	43.7	0	0	111.5	E305 F309 L310 D311	E305-Q307 PolarHBondContact O-N 2.94Å; E305-Q307 PolarHBondContact OE1-N 2.99Å; E305-Q307 VanDerWaalsContact OE1-N 3.14Å; E305-Q307 PolarHBondContact OE2-N 2.97Å; Q307-F309 VanDerWaalsContact C-N 3.29Å; Q307-F309 PolarHBondContact O-N 3.26Å; Q307-L310 PolarHBondContact O-N 2.9Å; Q307-D311 VanDerWaalsContact NE2-CG 3.32Å; Q307-D311 PolarHBondContact NE2-OD1 3.05Å; Q307-D311 PolarHBondContact NE2-OD2 2.93Å; Q307-D311 VanDerWaalsContact O-CB 3.28Å; Q307-D311 WeakPolarHBondContact O-CB 3.09Å; Q307-D311 VanDerWaalsContact O-CG 3.25Å; Q307-D311 PolarHBondContact O-N 2.64Å
308	L	87.9	Confident	87.2	Confident	60 Å²	60	39.2 Å²	39.2	31%	0.314	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-37.9	176.5	-68.5	172.3	0	0	0	111.1	H301 K302 E305 A312	H301-L308 HydrophobicContact CB-CB 4.2Å; K302-L308 HydrophobicContact CD-CD1 3.82Å; K302-L308 HydrophobicContact CG-CD1 3.93Å; E305-L308 HydrophobicContact CB-CD1 4.42Å; E305-L308 HydrophobicContact CG-CD1 4.49Å; E305-L308 WeakPolarHBondContact OE2-CB 3.38Å; E305-L308 WeakPolarHBondContact OE2-CD1 3.43Å; E305-L308 WeakPolarHBondContact OE2-CG 3.42Å; E305-L308 PolarHBondContact OE2-N 3.48Å; L308-A312 VanDerWaalsContact O-CB 3.24Å; L308-A312 WeakPolarHBondContact O-CB 3.39Å; L308-A312 PolarHBondContact O-N 2.85Å
309	F	92.2	Very high	87.5	Confident	1 Å²	1	45 Å²	45	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-69.4	-47.5	179	-158.2	176.2	0	0	0	111.4	L296 H301 E305 Q307 D311 A312 F313 L332 T334 Y336 L363	L296-F309 HydrophobicContact CD2-CE2 4.39Å; H301-F309 VanDerWaalsContact CB-CA 3.42Å; H301-F309 HydrophobicContact CB-CB 3.57Å; H301-F309 HydrophobicContact CB-CD2 4.1Å; H301-F309 HydrophobicContact CB-CG 3.9Å; H301-F309 AromaticContact CD2-CD2 3.6Å; H301-F309 AromaticContact CD2-CE2 3.72Å; H301-F309 AromaticContact CE1-CD1 3.86Å; H301-F309 AromaticContact CE1-CE1 3.71Å; H301-F309 AromaticContact CE1-CZ 3.83Å; H301-F309 AromaticContact CG-CD2 3.68Å; H301-F309 AromaticContact CG-CG 3.62Å; H301-F309 AromaticContact ND1-CD1 3.66Å; H301-F309 AromaticContact ND1-CG 3.7Å; H301-F309 AromaticContact NE2-CD2 3.99Å; H301-F309 AromaticContact NE2-CE2 3.7Å; H301-F309 AromaticContact NE2-CZ 3.76Å; E305-F309 VanDerWaalsContact O-CB 3.24Å; E305-F309 WeakPolarHBondContact O-CB 3.3Å; E305-F309 PolarHBondContact O-N 2.95Å; Q307-F309 VanDerWaalsContact C-N 3.29Å; Q307-F309 PolarHBondContact O-N 3.26Å; F309-D311 PolarHBondContact O-N 3.17Å; F309-A312 PolarHBondContact O-N 2.91Å; F309-F313 WeakPolarHBondContact O-CB 3.49Å; F309-F313 PolarHBondContact O-N 3.31Å; F309-L332 HydrophobicContact CD2-CD2 4.45Å; F309-L332 HydrophobicContact CE2-CD2 3.74Å; F309-L332 HydrophobicContact CZ-CD2 4.01Å; F309-T334 HydrophobicContact CE1-CG2 4.09Å; F309-T334 WeakPolarHBondContact CE1-OG1 3.4Å; F309-Y336 AromaticContact CE1-CD2 3.92Å; F309-Y336 HydrophobicContact CE1-CD2 3.92Å; F309-Y336 HydrophobicContact CE1-CG 4.4Å; F309-Y336 HydrophobicContact CZ-CD2 4.06Å; F309-L363 HydrophobicContact CB-CD2 3.73Å; F309-L363 HydrophobicContact CD1-CD1 4Å; F309-L363 HydrophobicContact CD1-CD2 3.79Å; F309-L363 HydrophobicContact CD2-CD1 4.45Å; F309-L363 HydrophobicContact CE1-CD1 4.1Å; F309-L363 HydrophobicContact CG-CD1 4.18Å; F309-L363 HydrophobicContact CG-CD2 3.84Å; F309-L363 HydrophobicContact CZ-CD1 4.38Å
310	L	92.9	Very high	87.7	Confident	4 Å²	4	41 Å²	41	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-50.9	175.1	-178.9	64.5	0	0	0	110.5	A306 Q307 A312 F313 C314 V348 P350 L363	A306-L310 VanDerWaalsContact O-CB 3.27Å; A306-L310 WeakPolarHBondContact O-CB 3.04Å; A306-L310 PolarHBondContact O-N 3.04Å; Q307-L310 PolarHBondContact O-N 2.9Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.07Å; L310-F313 PolarHBondContact O-N 3.17Å; L310-F313 VanDerWaalsContact O-N 3.1Å; L310-C314 WeakPolarHBondContact O-CB 3.02Å; L310-C314 PolarHBondContact O-N 2.88Å; L310-C314 PolarHBondContact O-SG 2.74Å; L310-V348 HydrophobicContact CD2-CB 4.44Å; L310-V348 HydrophobicContact CD2-CG1 3.8Å; L310-P350 HydrophobicContact CD2-CG 4.08Å; L310-L363 HydrophobicContact CD1-CB 4.01Å
311	D	90	Very high	87.6	Confident	44 Å²	44	39.3 Å²	39.3	24%	0.235	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-40.1	179.6	-78.3	-20.2	0	0	0	112.8	Q307 F309 R315	Q307-D311 VanDerWaalsContact NE2-CG 3.32Å; Q307-D311 PolarHBondContact NE2-OD1 3.05Å; Q307-D311 PolarHBondContact NE2-OD2 2.93Å; Q307-D311 VanDerWaalsContact O-CB 3.28Å; Q307-D311 WeakPolarHBondContact O-CB 3.09Å; Q307-D311 VanDerWaalsContact O-CG 3.25Å; Q307-D311 PolarHBondContact O-N 2.64Å; F309-D311 PolarHBondContact O-N 3.17Å; D311-R315 WeakPolarHBondContact O-CB 3.16Å; D311-R315 WeakPolarHBondContact O-CG 3.42Å; D311-R315 VanDerWaalsContact O-CZ 3.29Å; D311-R315 PolarHBondContact O-N 2.84Å; D311-R315 VanDerWaalsContact O-N 3.15Å; D311-R315 PolarHBondContact O-NE 3.12Å
312	A	91	Very high	87.2	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-45.5	175.2	0	0	0	0	0	111.3	L296 V300 L308 F309 L310 R315 F316	L296-A312 HydrophobicContact CD2-CB 4.12Å; V300-A312 HydrophobicContact CG1-CB 3.97Å; L308-A312 VanDerWaalsContact O-CB 3.24Å; L308-A312 WeakPolarHBondContact O-CB 3.39Å; L308-A312 PolarHBondContact O-N 2.85Å; F309-A312 PolarHBondContact O-N 2.91Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.07Å; A312-R315 PolarHBondContact O-N 2.7Å; A312-F316 WeakPolarHBondContact O-CB 3.36Å; A312-F316 PolarHBondContact O-N 2.85Å
313	F	94.9	Very high	86.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-46.3	177.9	176.6	-117.7	0	0	0	113.2	F233 L296 F309 L310 R315 F316 Q317 A330 L332 C361	F233-F313 HydrophobicContact CB-CE2 4.02Å; F233-F313 HydrophobicContact CB-CZ 4.34Å; F233-F313 HydrophobicContact CD1-CE2 4.48Å; F233-F313 AromaticContact CD2-CE2 3.79Å; F233-F313 HydrophobicContact CD2-CE2 3.79Å; F233-F313 AromaticContact CD2-CZ 3.68Å; F233-F313 HydrophobicContact CD2-CZ 3.68Å; F233-F313 HydrophobicContact CE2-CE2 4.39Å; F233-F313 HydrophobicContact CE2-CZ 4.29Å; F233-F313 AromaticContact CG-CE2 3.84Å; F233-F313 HydrophobicContact CG-CE2 3.84Å; F233-F313 HydrophobicContact CG-CZ 4.16Å; L296-F313 HydrophobicContact CD1-CD2 4.44Å; L296-F313 HydrophobicContact CD2-CB 4.12Å; F309-F313 WeakPolarHBondContact O-CB 3.49Å; F309-F313 PolarHBondContact O-N 3.31Å; L310-F313 PolarHBondContact O-N 3.17Å; L310-F313 VanDerWaalsContact O-N 3.1Å; F313-R315 VanDerWaalsContact C-N 3.29Å; F313-R315 PolarHBondContact O-N 3.44Å; F313-F316 HydrophobicContact CD2-CD1 4.3Å; F313-F316 HydrophobicContact CE2-CD1 4.46Å; F313-F316 WeakPolarHBondContact O-CB 3.45Å; F313-F316 PolarHBondContact O-N 3.4Å; F313-Q317 HydrophobicContact CE2-CB 4.23Å; F313-Q317 HydrophobicContact CZ-CB 4.29Å; F313-Q317 WeakPolarHBondContact O-CG 3.13Å; F313-Q317 PolarHBondContact O-N 2.78Å; F313-A330 HydrophobicContact CE1-CB 4.18Å; F313-A330 HydrophobicContact CZ-CB 3.86Å; F313-L332 HydrophobicContact CB-CD2 4.04Å; F313-L332 HydrophobicContact CD1-CB 3.75Å; F313-L332 HydrophobicContact CD2-CB 3.83Å; F313-L332 HydrophobicContact CD2-CD2 3.77Å; F313-L332 HydrophobicContact CD2-CG 4.25Å; F313-L332 HydrophobicContact CE1-CB 3.63Å; F313-L332 HydrophobicContact CE2-CB 3.73Å; F313-L332 HydrophobicContact CE2-CD1 4.41Å; F313-L332 HydrophobicContact CE2-CD2 4.4Å; F313-L332 HydrophobicContact CE2-CG 4.41Å; F313-L332 HydrophobicContact CG-CB 3.84Å; F313-L332 HydrophobicContact CG-CD2 3.84Å; F313-L332 HydrophobicContact CG-CG 4.45Å; F313-L332 HydrophobicContact CZ-CB 3.63Å; F313-C361 HydrophobicContact CD1-CB 4.04Å; F313-C361 HydrophobicContact CE1-CB 4.03Å
314	C	93.5	Very high	86.1	Confident	1 Å²	1	43 Å²	43	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-40.6	177.3	-59.9	0	0	0	0	111.7	L310 Q317 S318 Q358 C361	L310-C314 WeakPolarHBondContact O-CB 3.02Å; L310-C314 PolarHBondContact O-N 2.88Å; L310-C314 PolarHBondContact O-SG 2.74Å; C314-Q317 WeakPolarHBondContact O-CG 3.13Å; C314-Q317 PolarHBondContact O-NE2 2.02Å; C314-S318 VanDerWaalsContact O-CB 3.23Å; C314-S318 WeakPolarHBondContact O-CB 3.06Å; C314-S318 PolarHBondContact O-N 2.03Å; C314-S318 VanDerWaalsContact O-N 3.16Å; C314-Q358 WeakPolarHBondContact CB-O 3.33Å; C314-C361 HydrophobicContact CB-CB 3.99Å; C314-C361 WeakPolarHBondContact CB-SG 3.31Å; C314-C361 WeakPolarHBondContact SG-CB 3.47Å; C314-C361 CovalentContact SG-SG 2Å; C314-C361 PolarHBondContact SG-SG 2.77Å
315	R	90.4	Very high	85.4	Confident	113 Å²	113	46.1 Å²	46.1	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-66.9	-41	172.7	-74.2	-174.8	-66.9	-99.3	-0.5	112.5	D311 A312 F313 K319	D311-R315 WeakPolarHBondContact O-CB 3.16Å; D311-R315 WeakPolarHBondContact O-CG 3.42Å; D311-R315 VanDerWaalsContact O-CZ 3.29Å; D311-R315 PolarHBondContact O-N 2.84Å; D311-R315 VanDerWaalsContact O-N 3.15Å; D311-R315 PolarHBondContact O-NE 3.12Å; A312-R315 PolarHBondContact O-N 2.7Å; F313-R315 VanDerWaalsContact C-N 3.29Å; F313-R315 PolarHBondContact O-N 3.44Å; R315-K319 WeakPolarHBondContact O-CG 3.2Å; R315-K319 PolarHBondContact O-N 2.93Å; R315-K319 VanDerWaalsContact O-N 3.14Å
316	F	89.9	Confident	84.9	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-52.2	179.4	170.8	-101.5	0	0	0	111.8	F233 L289 E293 A295 L296 A312 F313 S318 K319 L320	F233-F316 HydrophobicContact CD1-CE1 4.12Å; F233-F316 HydrophobicContact CE1-CE1 4Å; L289-F316 HydrophobicContact CD1-CE1 4.48Å; L289-F316 HydrophobicContact CD2-CZ 4.42Å; E293-F316 HydrophobicContact CG-CD2 4.11Å; E293-F316 HydrophobicContact CG-CE2 3.6Å; E293-F316 HydrophobicContact CG-CZ 4.08Å; A295-F316 HydrophobicContact CB-CB 4.24Å; A295-F316 HydrophobicContact CB-CD2 3.8Å; A295-F316 HydrophobicContact CB-CG 4.39Å; L296-F316 HydrophobicContact CD1-CD1 3.97Å; L296-F316 HydrophobicContact CD1-CE1 4.27Å; L296-F316 HydrophobicContact CD1-CG 4.24Å; L296-F316 HydrophobicContact CD2-CB 4.31Å; L296-F316 HydrophobicContact CG-CG 4.41Å; A312-F316 WeakPolarHBondContact O-CB 3.36Å; A312-F316 PolarHBondContact O-N 2.85Å; F313-F316 HydrophobicContact CD2-CD1 4.3Å; F313-F316 HydrophobicContact CE2-CD1 4.46Å; F313-F316 WeakPolarHBondContact O-CB 3.45Å; F313-F316 PolarHBondContact O-N 3.4Å; F316-S318 VanDerWaalsContact C-N 3.28Å; F316-S318 PolarHBondContact O-N 3.38Å; F316-K319 PolarHBondContact O-N 2.99Å; F316-L320 PolarHBondContact O-N 3.32Å; F316-L320 VanDerWaalsContact O-N 3.08Å
317	Q	90.7	Very high	84.8	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-39.7	179.8	74.6	76.7	30	0	0	110.9	F313 C314 K319 L320 S321 W327 A330 P357 Q358 C361	F313-Q317 HydrophobicContact CE2-CB 4.23Å; F313-Q317 HydrophobicContact CZ-CB 4.29Å; F313-Q317 WeakPolarHBondContact O-CG 3.13Å; F313-Q317 PolarHBondContact O-N 2.78Å; C314-Q317 WeakPolarHBondContact O-CG 3.13Å; C314-Q317 PolarHBondContact O-NE2 2.02Å; Q317-K319 PolarHBondContact O-N 2.06Å; Q317-L320 WeakPolarHBondContact O-CB 3.14Å; Q317-L320 PolarHBondContact O-N 2.85Å; Q317-L320 VanDerWaalsContact O-N 3.09Å; Q317-S321 PolarHBondContact O-N 2.83Å; Q317-W327 HydrophobicContact CB-CZ2 4.27Å; Q317-W327 WeakPolarHBondContact O-CZ2 3.02Å; Q317-A330 HydrophobicContact CB-CB 3.8Å; Q317-A330 HydrophobicContact CG-CB 3.75Å; Q317-P357 PolarHBondContact NE2-O 2.93Å; Q317-P357 VanDerWaalsContact NE2-O 3.1Å; Q317-Q358 PolarHBondContact NE2-O 2.87Å; Q317-Q358 VanDerWaalsContact NE2-O 3.09Å; Q317-C361 HydrophobicContact CG-CB 4.39Å
318	S	89.5	Confident	84.9	Confident	26 Å²	26	52.5 Å²	52.5	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-40.9	179.7	-168.2	0	0	0	0	112.6	C314 F316 L320 S321 A322 P357	C314-S318 VanDerWaalsContact O-CB 3.23Å; C314-S318 WeakPolarHBondContact O-CB 3.06Å; C314-S318 PolarHBondContact O-N 2.03Å; C314-S318 VanDerWaalsContact O-N 3.16Å; F316-S318 VanDerWaalsContact C-N 3.28Å; F316-S318 PolarHBondContact O-N 3.38Å; S318-L320 VanDerWaalsContact C-N 3.27Å; S318-L320 PolarHBondContact O-N 3.34Å; S318-S321 PolarHBondContact O-N 2.78Å; S318-S321 PolarHBondContact O-OG 2.73Å; S318-A322 WeakPolarHBondContact O-CB 3.47Å; S318-A322 PolarHBondContact O-N 2.86Å; S318-A322 VanDerWaalsContact O-N 3.11Å; S318-P357 WeakPolarHBondContact CB-O 3.39Å; S318-P357 PolarHBondContact OG-O 3.37Å
319	K	86.4	Confident	85	Confident	151 Å²	151	49.6 Å²	49.6	66%	0.657	25%	0.254	S	S	*	.	H	α-helix	trans	-64.1	-34.6	173.2	-74.8	176.9	-179.1	-180	0	112.1	R315 F316 Q317	R315-K319 WeakPolarHBondContact O-CG 3.2Å; R315-K319 PolarHBondContact O-N 2.93Å; R315-K319 VanDerWaalsContact O-N 3.14Å; F316-K319 PolarHBondContact O-N 2.99Å; Q317-K319 PolarHBondContact O-N 2.06Å
320	L	81.8	Confident	84.9	Confident	15 Å²	15	49.6 Å²	49.6	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-74.2	-39	179.2	-170.2	64.2	0	0	0	111.3	F233 F316 Q317 S318 A322 K323 W327	F233-L320 HydrophobicContact CE1-CD2 3.74Å; F233-L320 HydrophobicContact CZ-CD2 3.94Å; F316-L320 PolarHBondContact O-N 3.32Å; F316-L320 VanDerWaalsContact O-N 3.08Å; Q317-L320 WeakPolarHBondContact O-CB 3.14Å; Q317-L320 PolarHBondContact O-N 2.85Å; Q317-L320 VanDerWaalsContact O-N 3.09Å; S318-L320 VanDerWaalsContact C-N 3.27Å; S318-L320 PolarHBondContact O-N 3.34Å; L320-A322 VanDerWaalsContact C-N 3.31Å; L320-A322 PolarHBondContact O-N 2.93Å; L320-K323 WeakPolarHBondContact O-CB 3.48Å; L320-K323 PolarHBondContact O-N 3.08Å; L320-K323 VanDerWaalsContact O-N 3.13Å; L320-W327 HydrophobicContact CB-CH2 3.9Å; L320-W327 HydrophobicContact CB-CZ2 4.36Å; L320-W327 HydrophobicContact CD2-CH2 3.78Å; L320-W327 HydrophobicContact CG-CH2 3.74Å
321	S	79.9	Confident	84.9	Confident	26 Å²	26	49.4 Å²	49.4	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-35.7	177.8	69.7	0	0	0	0	112.1	Q317 S318 K323 G324 M325	Q317-S321 PolarHBondContact O-N 2.83Å; S318-S321 PolarHBondContact O-N 2.78Å; S318-S321 PolarHBondContact O-OG 2.73Å; S321-K323 PolarHBondContact O-N 3.44Å; S321-K323 VanDerWaalsContact O-N 3.16Å; S321-G324 PolarHBondContact O-N 3.41Å; S321-G324 VanDerWaalsContact O-N 3.15Å; S321-M325 CarbonylContact C-O 3.6Å; S321-M325 WeakPolarHBondContact CA-O 3.03Å; S321-M325 VanDerWaalsContact O-O 3.09Å
322	A	77.1	Confident	85.1	Confident	88 Å²	88	47.3 Å²	47.3	73%	0.727	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.2	173.5	0	0	0	0	0	114.1	S318 L320 G324	S318-A322 WeakPolarHBondContact O-CB 3.47Å; S318-A322 PolarHBondContact O-N 2.86Å; S318-A322 VanDerWaalsContact O-N 3.11Å; L320-A322 VanDerWaalsContact C-N 3.31Å; L320-A322 PolarHBondContact O-N 2.93Å; A322-G324 PolarHBondContact O-N 3.04Å
323	K	72.7	Confident	85.1	Confident	167 Å²	167	47.1 Å²	47.1	73%	0.726	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	5.2	177.3	-68.9	179.9	179.3	-178.1	0	114	L320 S321	L320-K323 WeakPolarHBondContact O-CB 3.48Å; L320-K323 PolarHBondContact O-N 3.08Å; L320-K323 VanDerWaalsContact O-N 3.13Å; S321-K323 PolarHBondContact O-N 3.44Å; S321-K323 VanDerWaalsContact O-N 3.16Å
324	G	67.7	Low	84.9	Confident	64 Å²	64	47.1 Å²	47.1	66%	0.66	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	108.9	-2.7	171.6	0	0	0	0	0	115.6	S321 A322	S321-G324 PolarHBondContact O-N 3.41Å; S321-G324 VanDerWaalsContact O-N 3.15Å; A322-G324 PolarHBondContact O-N 3.04Å
325	M	68.6	Low	84.6	Confident	65 Å²	65	48.2 Å²	48.2	32%	0.32	25%	0.252	S	S	.	.			trans	-88.7	123.6	169.5	-61.8	-95	-86.7	0	0	107.8	V90 L285 S321 W327	V90-M325 HydrophobicContact CG2-CE 4.22Å; L285-M325 HydrophobicContact CD1-CE 3.65Å; L285-M325 HydrophobicContact CD2-CE 3.99Å; L285-M325 HydrophobicContact CG-CE 4.42Å; S321-M325 CarbonylContact C-O 3.6Å; S321-M325 WeakPolarHBondContact CA-O 3.03Å; S321-M325 VanDerWaalsContact O-O 3.09Å; M325-W327 HydrophobicContact CB-CE3 4.18Å; M325-W327 HydrophobicContact CB-CH2 4.37Å; M325-W327 HydrophobicContact CB-CZ3 3.52Å
326	R	75.4	Confident	84.3	Confident	207 Å²	207	44.5 Å²	44.5	78%	0.781	24%	0.238	S	C	*	.			trans	-109.7	143.5	-179.5	-69.1	-169.6	176.5	-140.4	-0.2	111.1
327	W	84.4	Confident	83.9	Confident	26 Å²	26	48 Å²	48	10%	0.098	26%	0.257	C	S	.	.			trans	-154.9	160.3	171	51.2	79.2	0	0	0	107.5	A231 F233 L285 Q317 L320 M325	A231-W327 HydrophobicContact CB-CB 3.85Å; A231-W327 HydrophobicContact CB-CD2 3.46Å; A231-W327 VanDerWaalsContact CB-CD2 3.46Å; A231-W327 HydrophobicContact CB-CE3 3.8Å; A231-W327 HydrophobicContact CB-CG 3.47Å; A231-W327 VanDerWaalsContact CB-CG 3.47Å; F233-W327 HydrophobicContact CE2-CZ2 4.45Å; F233-W327 HydrophobicContact CZ-CH2 4.08Å; F233-W327 HydrophobicContact CZ-CZ2 4.06Å; L285-W327 HydrophobicContact CD2-CE3 3.98Å; L285-W327 HydrophobicContact CD2-CH2 4.23Å; L285-W327 HydrophobicContact CD2-CZ3 3.55Å; Q317-W327 HydrophobicContact CB-CZ2 4.27Å; Q317-W327 WeakPolarHBondContact O-CZ2 3.02Å; L320-W327 HydrophobicContact CB-CH2 3.9Å; L320-W327 HydrophobicContact CB-CZ2 4.36Å; L320-W327 HydrophobicContact CD2-CH2 3.78Å; L320-W327 HydrophobicContact CG-CH2 3.74Å; M325-W327 HydrophobicContact CB-CE3 4.18Å; M325-W327 HydrophobicContact CB-CH2 4.37Å; M325-W327 HydrophobicContact CB-CZ3 3.52Å
328	D	86.1	Confident	83.5	Confident	20 Å²	20	47.8 Å²	47.8	11%	0.107	26%	0.257	C	S	.	.	S	Bend	trans	-89.4	-35.2	179.8	-63.9	-32.9	0	0	0	111.7	L228 E229 S360 C437	L228-D328 HydrophobicContact CD1-CB 3.53Å; E229-D328 HydrophobicContact CB-CB 4.27Å; E229-D328 WeakPolarHBondContact CB-OD2 3.29Å; E229-D328 PolarHBondContact N-OD2 2.82Å; E229-D328 WeakPolarHBondContact O-CA 3.38Å; E229-D328 WeakPolarHBondContact O-CB 2.93Å; E229-D328 PolarHBondContact O-N 2.95Å; D328-S360 VanDerWaalsContact O-CB 3.3Å; D328-S360 WeakPolarHBondContact O-CB 2.96Å; D328-S360 PolarHBondContact O-OG 2.97Å; D328-C437 VanDerWaalsContact CB-SG 3.6Å; D328-C437 VanDerWaalsContact CG-SG 3.56Å; D328-C437 WeakPolarHBondContact OD1-CB 3.17Å; D328-C437 PolarHBondContact OD1-SG 2.84Å; D328-C437 VanDerWaalsContact OD1-SG 3.35Å
329	H	89.4	Confident	83	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.3	-179.8	-169.9	65.7	0	0	0	112.5	L228 E229 L230 A231 M354 S360 C361 S362 N382	L228-H329 HydrophobicContact CD1-CB 4.23Å; E229-H329 PolarHBondContact O-N 3.24Å; L230-H329 WeakPolarHBondContact CA-O 3.45Å; L230-H329 HydrophobicContact CD2-CB 3.8Å; A231-H329 PolarHBondContact N-O 3.43Å; H329-M354 HydrophobicContact CB-CE 4.12Å; H329-M354 HydrophobicContact CB-SD 3.68Å; H329-S360 WeakPolarHBondContact CA-OG 2.83Å; H329-S360 VanDerWaalsContact ND1-C 3.31Å; H329-S360 PolarHBondContact ND1-O 2.01Å; H329-S360 PolarHBondContact ND1-OG 3.31Å; H329-C361 VanDerWaalsContact CE1-C 3.43Å; H329-C361 PolarHBondContact CE1-N 3.33Å; H329-S362 PolarHBondContact NE2-OG 3.05Å; H329-N382 PolarHBondContact CE1-ND2 2.8Å; H329-N382 VanDerWaalsContact CE1-ND2 3.3Å; H329-N382 PolarHBondContact CE1-OD1 3.41Å
330	A	91.9	Very high	82.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.5	177.1	0	0	0	0	0	111.6	A231 F233 F313 Q317 S360 C361 S362	A231-A330 CarbonylContact O-C 3.59Å; A231-A330 VanDerWaalsContact O-CA 3.31Å; A231-A330 WeakPolarHBondContact O-CA 3.47Å; F233-A330 HydrophobicContact CD2-CB 4.41Å; F233-A330 HydrophobicContact CE2-CB 3.99Å; F313-A330 HydrophobicContact CE1-CB 4.18Å; F313-A330 HydrophobicContact CZ-CB 3.86Å; Q317-A330 HydrophobicContact CB-CB 3.8Å; Q317-A330 HydrophobicContact CG-CB 3.75Å; A330-S360 PolarHBondContact N-O 3.34Å; A330-C361 CarbonylContact O-C 3.58Å; A330-C361 WeakPolarHBondContact O-CA 3.46Å; A330-S362 PolarHBondContact O-N 2.79Å
331	T	92.4	Very high	81.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.7	178.7	-63.5	0	0	0	0	110.3	A231 V232 F233 S362 I364 M375	A231-T331 PolarHBondContact O-N 3.2Å; V232-T331 CarbonylContact C-O 3.49Å; V232-T331 WeakPolarHBondContact CA-O 3.33Å; F233-T331 PolarHBondContact N-O 3.3Å; T331-S362 CarbonylContact C-O 3.55Å; T331-S362 WeakPolarHBondContact CA-O 3.08Å; T331-S362 PolarHBondContact OG1-OG 3.29Å; T331-I364 HydrophobicContact CG2-CD1 3.49Å; T331-I364 VanDerWaalsContact CG2-CD1 3.49Å; T331-I364 HydrophobicContact CG2-CG1 4.44Å; T331-M375 HydrophobicContact CG2-CE 3.54Å; T331-M375 HydrophobicContact CG2-CG 4.25Å; T331-M375 HydrophobicContact CG2-SD 4.02Å
332	L	94	Very high	79.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.3	173.6	-178.9	59	0	0	0	110.6	F233 D235 F309 F313 S362 L363 I364	F233-L332 HydrophobicContact CB-CD1 3.73Å; D235-L332 HydrophobicContact CB-CD1 4.32Å; F309-L332 HydrophobicContact CD2-CD2 4.45Å; F309-L332 HydrophobicContact CE2-CD2 3.74Å; F309-L332 HydrophobicContact CZ-CD2 4.01Å; F313-L332 HydrophobicContact CB-CD2 4.04Å; F313-L332 HydrophobicContact CD1-CB 3.75Å; F313-L332 HydrophobicContact CD2-CB 3.83Å; F313-L332 HydrophobicContact CD2-CD2 3.77Å; F313-L332 HydrophobicContact CD2-CG 4.25Å; F313-L332 HydrophobicContact CE1-CB 3.63Å; F313-L332 HydrophobicContact CE2-CB 3.73Å; F313-L332 HydrophobicContact CE2-CD1 4.41Å; F313-L332 HydrophobicContact CE2-CD2 4.4Å; F313-L332 HydrophobicContact CE2-CG 4.41Å; F313-L332 HydrophobicContact CG-CB 3.84Å; F313-L332 HydrophobicContact CG-CD2 3.84Å; F313-L332 HydrophobicContact CG-CG 4.45Å; F313-L332 HydrophobicContact CZ-CB 3.63Å; L332-S362 PolarHBondContact N-O 2.01Å; L332-L363 HydrophobicContact CB-CD1 4.1Å; L332-L363 HydrophobicContact CD2-CD1 3.72Å; L332-L363 HydrophobicContact CG-CD1 3.99Å; L332-I364 PolarHBondContact O-N 3.13Å
333	L	91.6	Very high	79.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.9	166.8	-66.5	175.4	0	0	0	109	V232 F233 T234 D235 L238 A258 L261 I364 M375	V232-L333 HydrophobicContact CG1-CD1 3.91Å; V232-L333 HydrophobicContact CG1-CG 4.31Å; F233-L333 PolarHBondContact O-N 2.05Å; T234-L333 WeakPolarHBondContact CA-O 3.23Å; T234-L333 HydrophobicContact CG2-CB 4.09Å; T234-L333 HydrophobicContact CG2-CD1 4.27Å; D235-L333 PolarHBondContact N-O 3.34Å; L238-L333 HydrophobicContact CD2-CB 3.67Å; L238-L333 WeakPolarHBondContact CD2-O 3.25Å; A258-L333 HydrophobicContact CB-CD1 4.33Å; L261-L333 HydrophobicContact CD1-CD1 3.84Å; L261-L333 HydrophobicContact CD1-CD2 3.95Å; L333-I364 WeakPolarHBondContact CA-O 3.11Å; L333-I364 HydrophobicContact CD2-CB 4.18Å; L333-I364 HydrophobicContact CD2-CG2 4.18Å; L333-M375 HydrophobicContact CD1-CE 4.5Å; L333-M375 HydrophobicContact CD2-CE 3.4Å; L333-M375 VanDerWaalsContact CD2-CE 3.4Å; L333-M375 HydrophobicContact CG-CE 4.12Å
334	T	90.8	Very high	78.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.9	-176	178.9	0	0	0	0	113.2	D235 F309 Y336 I338 L363 I364 G366	D235-T334 WeakPolarHBondContact OD1-CA 3.08Å; D235-T334 WeakPolarHBondContact OD2-CA 3.17Å; D235-T334 VanDerWaalsContact OD2-CB 3.25Å; D235-T334 WeakPolarHBondContact OD2-CB 3.4Å; D235-T334 PolarHBondContact OD2-OG1 3.12Å; F309-T334 HydrophobicContact CE1-CG2 4.09Å; F309-T334 WeakPolarHBondContact CE1-OG1 3.4Å; T334-Y336 WeakPolarHBondContact OG1-CD2 3.37Å; T334-Y336 PolarHBondContact OG1-N 3.4Å; T334-I338 HydrophobicContact CG2-CD1 3.68Å; T334-I338 HydrophobicContact CG2-CG1 3.81Å; T334-L363 HydrophobicContact CG2-CD1 3.94Å; T334-I364 WeakPolarHBondContact CG2-O 3.17Å; T334-I364 PolarHBondContact N-O 2.99Å; T334-G366 PolarHBondContact O-N 2.83Å
335	G	85.4	Confident	79.1	Confident	24 Å²	24	49.9 Å²	49.9	25%	0.247	27%	0.27	C	S	.	.	S	Bend	trans	-90.7	0.5	169.3	0	0	0	0	0	114.3	D235 K237	D235-G335 PolarHBondContact OD1-N 3.08Å; D235-G335 PolarHBondContact OD2-N 2.7Å; K237-G335 VanDerWaalsContact CG-C 3.46Å; K237-G335 WeakPolarHBondContact CG-O 3.45Å
336	Y	84.8	Confident	79.5	Confident	34 Å²	34	47.8 Å²	47.8	13%	0.133	26%	0.263	C	S	.	.	S	Bend	trans	-81.4	148.5	173.9	-69.7	-82.2	0	0	0	111	D235 K237 F309 T334 I338	D235-Y336 VanDerWaalsContact OD2-CD2 3.31Å; D235-Y336 WeakPolarHBondContact OD2-CD2 3.3Å; K237-Y336 HydrophobicContact CB-CD2 3.95Å; K237-Y336 HydrophobicContact CB-CE2 3.65Å; K237-Y336 HydrophobicContact CG-CD1 4.49Å; K237-Y336 HydrophobicContact CG-CD2 4.28Å; K237-Y336 HydrophobicContact CG-CE1 4.44Å; K237-Y336 HydrophobicContact CG-CE2 4.22Å; K237-Y336 HydrophobicContact CG-CG 4.4Å; F309-Y336 AromaticContact CE1-CD2 3.92Å; F309-Y336 HydrophobicContact CE1-CD2 3.92Å; F309-Y336 HydrophobicContact CE1-CG 4.4Å; F309-Y336 HydrophobicContact CZ-CD2 4.06Å; T334-Y336 WeakPolarHBondContact OG1-CD2 3.37Å; T334-Y336 PolarHBondContact OG1-N 3.4Å; Y336-I338 PolarHBondContact O-N 3.43Å
337	D	82	Confident	80	Confident	90 Å²	90	38.2 Å²	38.2	48%	0.481	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-72.3	117.6	162.6	-175.7	16.1	0	0	0	107.8	S344	D337-S344 WeakPolarHBondContact OD1-CB 3.46Å; D337-S344 PolarHBondContact OD1-OG 2.92Å
338	I	81.1	Confident	80.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-86.7	128.7	-178.2	-56.5	160.6	0	0	0	106.9	G304 A306 T334 Y336 S344 V345 L363 E365	G304-I338 CarbonylContact O-C 3.54Å; G304-I338 VanDerWaalsContact O-CA 3.32Å; G304-I338 WeakPolarHBondContact O-CA 3.45Å; A306-I338 HydrophobicContact CB-CG2 3.45Å; A306-I338 VanDerWaalsContact CB-CG2 3.45Å; T334-I338 HydrophobicContact CG2-CD1 3.68Å; T334-I338 HydrophobicContact CG2-CG1 3.81Å; Y336-I338 PolarHBondContact O-N 3.43Å; I338-S344 CarbonylContact O-C 3.59Å; I338-S344 WeakPolarHBondContact O-CA 3.44Å; I338-V345 WeakPolarHBondContact CB-O 3.34Å; I338-V345 PolarHBondContact O-N 2.04Å; I338-L363 HydrophobicContact CD1-CD1 4.49Å; I338-L363 HydrophobicContact CD1-CD2 4.03Å; I338-L363 HydrophobicContact CD1-CG 3.78Å; I338-L363 HydrophobicContact CG1-CD2 4.23Å; I338-L363 HydrophobicContact CG1-CG 4.44Å; I338-L363 HydrophobicContact CG2-CD2 4.17Å; I338-E365 HydrophobicContact CD1-CB 4.12Å
339	Y	80	Confident	80.4	Confident	80 Å²	80	38.2 Å²	38.2	31%	0.314	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.6	-178.8	70.3	-88.9	0	0	0	112	K302 G304 E305 A306 A343	K302-Y339 PolarHBondContact O-OH 2.03Å; G304-Y339 VanDerWaalsContact C-CE1 3.46Å; G304-Y339 PolarHBondContact O-N 3.04Å; E305-Y339 CarbonylContact C-O 3.48Å; E305-Y339 WeakPolarHBondContact CA-O 3.38Å; E305-Y339 HydrophobicContact CB-CE1 4.38Å; E305-Y339 HydrophobicContact CB-CE2 4.05Å; E305-Y339 HydrophobicContact CG-CE2 4.17Å; A306-Y339 WeakPolarHBondContact CB-O 3.49Å; A306-Y339 PolarHBondContact N-O 2.97Å; Y339-A343 CarbonylContact C-O 3.57Å; Y339-A343 VanDerWaalsContact CA-O 3.28Å; Y339-A343 WeakPolarHBondContact CA-O 3.45Å
340	H	68.5	Low	80.4	Confident	98 Å²	98	39.4 Å²	39.4	45%	0.454	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.9	173.5	-174.9	-64	0	0	0	109.1	A306 T342 A343 V345	A306-H340 HydrophobicContact CB-CB 4.49Å; H340-T342 PolarHBondContact O-N 3.27Å; H340-A343 PolarHBondContact N-O 3.16Å; H340-A343 PolarHBondContact O-N 2.98Å; H340-V345 HydrophobicContact CB-CG2 4.02Å
341	S	61.8	Low	80	Confident	91 Å²	91	42.8 Å²	42.8	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	-52.3	-179.8	51.5	0	0	0	0	117.5
342	T	53.2	Low	79.7	Confident	140 Å²	140	44.4 Å²	44.4	86%	0.859	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.7	-8.2	173.7	52	0	0	0	0	115.1	H340	H340-T342 PolarHBondContact O-N 3.27Å
343	A	61	Low	79.3	Confident	54 Å²	54	48 Å²	48	45%	0.446	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.6	-173.6	0	0	0	0	0	112.8	Y339 H340	Y339-A343 CarbonylContact C-O 3.57Å; Y339-A343 VanDerWaalsContact CA-O 3.28Å; Y339-A343 WeakPolarHBondContact CA-O 3.45Å; H340-A343 PolarHBondContact N-O 3.16Å; H340-A343 PolarHBondContact O-N 2.98Å
344	S	66.2	Low	79	Confident	75 Å²	75	48 Å²	48	52%	0.524	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.5	169.3	172.5	0	0	0	0	110.1	D337 I338	D337-S344 WeakPolarHBondContact OD1-CB 3.46Å; D337-S344 PolarHBondContact OD1-OG 2.92Å; I338-S344 CarbonylContact O-C 3.59Å; I338-S344 WeakPolarHBondContact O-CA 3.44Å
345	V	72.4	Confident	78.7	Confident	43 Å²	43	48.6 Å²	48.6	26%	0.261	29%	0.293	S	S	.	.			trans	-127.3	133.2	-175.3	-175.9	0	0	0	0	108.6	I338 H340 G347 V348	I338-V345 WeakPolarHBondContact CB-O 3.34Å; I338-V345 PolarHBondContact O-N 2.04Å; H340-V345 HydrophobicContact CB-CG2 4.02Å; V345-G347 WeakPolarHBondContact CG1-O 3.35Å; V345-V348 HydrophobicContact CG1-CG2 3.79Å
346	A	76.7	Confident	78.8	Confident	21 Å²	21	48.7 Å²	48.7	17%	0.174	29%	0.288	C	S	.	.	S	Bend	trans	-76.7	-25.9	-174.7	0	0	0	0	0	114.5	E365 R371 V374	A346-E365 WeakPolarHBondContact O-CB 3.24Å; A346-E365 PolarHBondContact O-N 3.24Å; A346-R371 VanDerWaalsContact CB-NH1 3.28Å; A346-V374 HydrophobicContact CB-CG1 3.93Å; A346-V374 HydrophobicContact CB-CG2 4Å
347	G	87.2	Confident	78.7	Confident	6 Å²	6	51.7 Å²	51.7	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	157	-179.8	0	0	0	0	0	111.2	V345 L363 E378	V345-G347 WeakPolarHBondContact CG1-O 3.35Å; G347-L363 CarbonylContact C-O 3.59Å; G347-L363 WeakPolarHBondContact CA-O 3.46Å; G347-E378 VanDerWaalsContact C-CD 3.45Å
348	V	88.4	Confident	78.8	Confident	32 Å²	32	51.2 Å²	51.2	19%	0.194	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.6	178.1	-173.2	0	0	0	0	109.9	A306 L310 V345 L363 E378	A306-V348 HydrophobicContact CB-CG2 3.79Å; L310-V348 HydrophobicContact CD2-CB 4.44Å; L310-V348 HydrophobicContact CD2-CG1 3.8Å; V345-V348 HydrophobicContact CG1-CG2 3.79Å; V348-L363 PolarHBondContact N-O 3.11Å; V348-L363 PolarHBondContact O-N 3.18Å; V348-E378 VanDerWaalsContact C-OE2 3.31Å; V348-E378 WeakPolarHBondContact CA-OE2 3.44Å
349	A	90.4	Very high	79.2	Confident	13 Å²	13	54.2 Å²	54.2	11%	0.107	32%	0.319	C	S	.	.			trans	-149.2	158.7	167.7	0	0	0	0	0	115.2	E378 N382	A349-E378 HydrophobicContact CB-CB 3.92Å; A349-E378 PolarHBondContact N-OE2 3.2Å; A349-N382 WeakPolarHBondContact CB-ND2 3.47Å
350	P	88.5	Confident	79.7	Confident	26 Å²	26	50.6 Å²	50.6	17%	0.169	31%	0.306	C	S	.	.			trans	-72.4	136.4	177	-16	33.1	0	0	0	112.1	L310 R353 C361 N382	L310-P350 HydrophobicContact CD2-CG 4.08Å; P350-R353 HydrophobicContact CB-CB 3.96Å; P350-R353 HydrophobicContact CB-CG 3.61Å; P350-C361 WeakPolarHBondContact CD-O 3.13Å; P350-N382 WeakPolarHBondContact O-CA 3.42Å
351	V	84.6	Confident	80.9	Confident	70 Å²	70	45.9 Å²	45.9	42%	0.424	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	134.5	179.8	-175.3	0	0	0	0	111.5	R353 H381 L386	V351-R353 VanDerWaalsContact C-N 3.3Å; V351-R353 PolarHBondContact O-N 3.04Å; V351-H381 CarbonylContact C-O 3.58Å; V351-H381 VanDerWaalsContact CA-O 3.31Å; V351-H381 WeakPolarHBondContact CA-O 3.04Å; V351-H381 HydrophobicContact CG2-CB 4.23Å; V351-L386 HydrophobicContact CG1-CD2 4.04Å
352	A	84.5	Confident	82.4	Confident	35 Å²	35	41.6 Å²	41.6	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	35	176.3	0	0	0	0	0	114.5	H381 N382 F423	A352-H381 PolarHBondContact N-O 3.02Å; A352-N382 CarbonylContact C-O 3.51Å; A352-N382 VanDerWaalsContact CA-O 3.28Å; A352-N382 WeakPolarHBondContact CA-O 3.34Å; A352-F423 HydrophobicContact CB-CD2 4Å; A352-F423 HydrophobicContact CB-CE2 3.91Å
353	R	86.4	Confident	84.3	Confident	75 Å²	75	34.9 Å²	34.9	28%	0.283	21%	0.213	S	C	.	.			trans	-110.5	12.7	179.9	-62.9	-59.3	-177.8	158.7	-3.8	114.7	P350 V351 C355 D356 F359 S360 N382	P350-R353 HydrophobicContact CB-CB 3.96Å; P350-R353 HydrophobicContact CB-CG 3.61Å; V351-R353 VanDerWaalsContact C-N 3.3Å; V351-R353 PolarHBondContact O-N 3.04Å; R353-C355 PolarHBondContact O-N 2.94Å; R353-D356 HydrophobicContact CB-CB 4.24Å; R353-D356 IonicContact NH1-OD2 2.68Å; R353-D356 PolarHBondContact NH1-OD2 2.9Å; R353-D356 WeakPolarHBondContact O-CB 3.49Å; R353-D356 PolarHBondContact O-N 2.87Å; R353-F359 HydrophobicContact CB-CB 3.77Å; R353-F359 WeakPolarHBondContact CB-O 3.5Å; R353-F359 HydrophobicContact CG-CB 3.81Å; R353-S360 WeakPolarHBondContact O-CA 3.36Å; R353-S360 WeakPolarHBondContact O-CB 3.34Å; R353-S360 PolarHBondContact O-N 2.9Å; R353-N382 PolarHBondContact N-O 2.92Å; R353-N382 VanDerWaalsContact N-O 3.1Å
354	M	86.1	Confident	85.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	139.8	168.9	-169.7	63.7	74.1	0	0	110.4	L228 H329 D356 N382 L383 F423 L438	L228-M354 HydrophobicContact CD1-CE 4.11Å; L228-M354 HydrophobicContact CD1-CG 4.34Å; L228-M354 HydrophobicContact CD1-SD 3.51Å; L228-M354 VanDerWaalsContact CD1-SD 3.51Å; L228-M354 HydrophobicContact CD2-CE 3.97Å; L228-M354 HydrophobicContact CD2-SD 4.46Å; H329-M354 HydrophobicContact CB-CE 4.12Å; H329-M354 HydrophobicContact CB-SD 3.68Å; M354-D356 PolarHBondContact O-N 3.04Å; M354-N382 HydrophobicContact CB-CB 4.4Å; M354-N382 VanDerWaalsContact CB-O 3.29Å; M354-N382 WeakPolarHBondContact CB-O 3.34Å; M354-N382 HydrophobicContact CE-CB 3.86Å; M354-N382 PolarHBondContact N-O 3.14Å; M354-L383 HydrophobicContact CB-CD2 4.02Å; M354-L383 HydrophobicContact CE-CD1 4.49Å; M354-L383 HydrophobicContact CE-CD2 3.85Å; M354-L383 HydrophobicContact CE-CG 3.82Å; M354-L383 HydrophobicContact CG-CD2 3.74Å; M354-F423 HydrophobicContact CB-CE1 3.77Å; M354-F423 HydrophobicContact CB-CZ 3.73Å; M354-F423 HydrophobicContact CG-CE1 4.49Å; M354-L438 HydrophobicContact CG-CD2 4.39Å
355	C	84	Confident	86.7	Confident	14 Å²	14	29.9 Å²	29.9	10%	0.095	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	1	-172.8	-58.2	0	0	0	0	116.4	R353 P357 I434 C437	R353-C355 PolarHBondContact O-N 2.94Å; C355-P357 WeakPolarHBondContact O-CD 3.43Å; C355-I434 HydrophobicContact CB-CG2 3.75Å; C355-C437 WeakPolarHBondContact CA-SG 3.21Å; C355-C437 HydrophobicContact CB-CB 3.62Å; C355-C437 WeakPolarHBondContact CB-SG 3.19Å; C355-C437 WeakPolarHBondContact SG-CB 3.31Å; C355-C437 PolarHBondContact SG-N 3.5Å; C355-C437 CovalentContact SG-SG 2.03Å; C355-C437 PolarHBondContact SG-SG 2.75Å
356	D	86.7	Confident	86.8	Confident	25 Å²	25	27.9 Å²	27.9	13%	0.134	16%	0.159	C	C	.	.			trans	-75.3	118.7	168.6	-170.6	-56.8	0	0	0	109.3	R353 M354 Q358 F359 S360	R353-D356 HydrophobicContact CB-CB 4.24Å; R353-D356 IonicContact NH1-OD2 2.68Å; R353-D356 PolarHBondContact NH1-OD2 2.9Å; R353-D356 WeakPolarHBondContact O-CB 3.49Å; R353-D356 PolarHBondContact O-N 2.87Å; M354-D356 PolarHBondContact O-N 3.04Å; D356-Q358 PolarHBondContact O-N 2.83Å; D356-Q358 PolarHBondContact OD1-N 3.02Å; D356-F359 HydrophobicContact CB-CB 4.15Å; D356-F359 PolarHBondContact O-N 3.41Å; D356-F359 WeakPolarHBondContact OD1-CD2 3.49Å; D356-F359 PolarHBondContact OD1-N 2.81Å; D356-S360 WeakPolarHBondContact O-CB 3.03Å; D356-S360 PolarHBondContact O-N 2.84Å
357	P	82	Confident	86.8	Confident	97 Å²	97	30.3 Å²	30.3	63%	0.63	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.9	-175.3	-25	34.5	0	0	0	114.6	Q317 S318 C355	Q317-P357 PolarHBondContact NE2-O 2.93Å; Q317-P357 VanDerWaalsContact NE2-O 3.1Å; S318-P357 WeakPolarHBondContact CB-O 3.39Å; S318-P357 PolarHBondContact OG-O 3.37Å; C355-P357 WeakPolarHBondContact O-CD 3.43Å
358	Q	84.9	Confident	86.2	Confident	80 Å²	80	31 Å²	31	37%	0.374	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-43.6	178.2	-176.2	174.8	-23.9	0	0	111.7	C314 Q317 D356	C314-Q358 WeakPolarHBondContact CB-O 3.33Å; Q317-Q358 PolarHBondContact NE2-O 2.87Å; Q317-Q358 VanDerWaalsContact NE2-O 3.09Å; D356-Q358 PolarHBondContact O-N 2.83Å; D356-Q358 PolarHBondContact OD1-N 3.02Å
359	F	89.8	Confident	85.7	Confident	64 Å²	64	29.5 Å²	29.5	28%	0.281	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	3.2	-168.2	-60.1	-74.4	0	0	0	115	R353 D356 C361	R353-F359 HydrophobicContact CB-CB 3.77Å; R353-F359 WeakPolarHBondContact CB-O 3.5Å; R353-F359 HydrophobicContact CG-CB 3.81Å; D356-F359 HydrophobicContact CB-CB 4.15Å; D356-F359 PolarHBondContact O-N 3.41Å; D356-F359 WeakPolarHBondContact OD1-CD2 3.49Å; D356-F359 PolarHBondContact OD1-N 2.81Å; F359-C361 PolarHBondContact O-N 3.12Å; F359-C361 PolarHBondContact O-SG 3.35Å
360	S	89.6	Confident	85	Confident	3 Å²	3	29 Å²	29	2%	0.021	16%	0.158	C	C	.	.			trans	-77.7	72.9	170.3	-168.9	0	0	0	0	110.6	D328 H329 A330 R353 D356	D328-S360 VanDerWaalsContact O-CB 3.3Å; D328-S360 WeakPolarHBondContact O-CB 2.96Å; D328-S360 PolarHBondContact O-OG 2.97Å; H329-S360 WeakPolarHBondContact CA-OG 2.83Å; H329-S360 VanDerWaalsContact ND1-C 3.31Å; H329-S360 PolarHBondContact ND1-O 2.01Å; H329-S360 PolarHBondContact ND1-OG 3.31Å; A330-S360 PolarHBondContact N-O 3.34Å; R353-S360 WeakPolarHBondContact O-CA 3.36Å; R353-S360 WeakPolarHBondContact O-CB 3.34Å; R353-S360 PolarHBondContact O-N 2.9Å; D356-S360 WeakPolarHBondContact O-CB 3.03Å; D356-S360 PolarHBondContact O-N 2.84Å
361	C	93.4	Very high	84.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.8	-172.9	44.6	0	0	0	0	111.1	F313 C314 Q317 H329 A330 P350 F359 N382	F313-C361 HydrophobicContact CD1-CB 4.04Å; F313-C361 HydrophobicContact CE1-CB 4.03Å; C314-C361 HydrophobicContact CB-CB 3.99Å; C314-C361 WeakPolarHBondContact CB-SG 3.31Å; C314-C361 WeakPolarHBondContact SG-CB 3.47Å; C314-C361 CovalentContact SG-SG 2Å; C314-C361 PolarHBondContact SG-SG 2.77Å; Q317-C361 HydrophobicContact CG-CB 4.39Å; H329-C361 VanDerWaalsContact CE1-C 3.43Å; H329-C361 PolarHBondContact CE1-N 3.33Å; A330-C361 CarbonylContact O-C 3.58Å; A330-C361 WeakPolarHBondContact O-CA 3.46Å; P350-C361 WeakPolarHBondContact CD-O 3.13Å; F359-C361 PolarHBondContact O-N 3.12Å; F359-C361 PolarHBondContact O-SG 3.35Å; C361-N382 PolarHBondContact O-ND2 3.09Å
362	S	93.7	Very high	84.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.8	173.3	50.4	0	0	0	0	110.8	H329 A330 T331 L332	H329-S362 PolarHBondContact NE2-OG 3.05Å; A330-S362 PolarHBondContact O-N 2.79Å; T331-S362 CarbonylContact C-O 3.55Å; T331-S362 WeakPolarHBondContact CA-O 3.08Å; T331-S362 PolarHBondContact OG1-OG 3.29Å; L332-S362 PolarHBondContact N-O 2.01Å
363	L	93.8	Very high	84.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123	177.4	178.3	69.3	0	0	0	109	F309 L310 L332 T334 I338 G347 V348	F309-L363 HydrophobicContact CB-CD2 3.73Å; F309-L363 HydrophobicContact CD1-CD1 4Å; F309-L363 HydrophobicContact CD1-CD2 3.79Å; F309-L363 HydrophobicContact CD2-CD1 4.45Å; F309-L363 HydrophobicContact CE1-CD1 4.1Å; F309-L363 HydrophobicContact CG-CD1 4.18Å; F309-L363 HydrophobicContact CG-CD2 3.84Å; F309-L363 HydrophobicContact CZ-CD1 4.38Å; L310-L363 HydrophobicContact CD1-CB 4.01Å; L332-L363 HydrophobicContact CB-CD1 4.1Å; L332-L363 HydrophobicContact CD2-CD1 3.72Å; L332-L363 HydrophobicContact CG-CD1 3.99Å; T334-L363 HydrophobicContact CG2-CD1 3.94Å; I338-L363 HydrophobicContact CD1-CD1 4.49Å; I338-L363 HydrophobicContact CD1-CD2 4.03Å; I338-L363 HydrophobicContact CD1-CG 3.78Å; I338-L363 HydrophobicContact CG1-CD2 4.23Å; I338-L363 HydrophobicContact CG1-CG 4.44Å; I338-L363 HydrophobicContact CG2-CD2 4.17Å; G347-L363 CarbonylContact C-O 3.59Å; G347-L363 WeakPolarHBondContact CA-O 3.46Å; V348-L363 PolarHBondContact N-O 3.11Å; V348-L363 PolarHBondContact O-N 3.18Å
364	I	90.5	Very high	84.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.6	-175.4	-62.9	73	0	0	0	109.1	T331 L332 L333 T334 G366 R371 V374 M375 E378	T331-I364 HydrophobicContact CG2-CD1 3.49Å; T331-I364 VanDerWaalsContact CG2-CD1 3.49Å; T331-I364 HydrophobicContact CG2-CG1 4.44Å; L332-I364 PolarHBondContact O-N 3.13Å; L333-I364 WeakPolarHBondContact CA-O 3.11Å; L333-I364 HydrophobicContact CD2-CB 4.18Å; L333-I364 HydrophobicContact CD2-CG2 4.18Å; T334-I364 WeakPolarHBondContact CG2-O 3.17Å; T334-I364 PolarHBondContact N-O 2.99Å; I364-G366 PolarHBondContact O-N 2.95Å; I364-R371 HydrophobicContact CG2-CB 4.11Å; I364-V374 HydrophobicContact CG2-CG1 4.42Å; I364-M375 HydrophobicContact CD1-CG 4.44Å; I364-M375 HydrophobicContact CG1-CB 4.06Å; I364-M375 HydrophobicContact CG1-CG 4.33Å; I364-E378 HydrophobicContact CG1-CG 4.33Å
365	E	86.4	Confident	84.5	Confident	24 Å²	24	21.4 Å²	21.4	11%	0.112	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	124.5	169.1	-169.6	-168.7	161.8	0	0	109.7	I338 A346 N367 R371	I338-E365 HydrophobicContact CD1-CB 4.12Å; A346-E365 WeakPolarHBondContact O-CB 3.24Å; A346-E365 PolarHBondContact O-N 3.24Å; E365-N367 PolarHBondContact OE1-ND2 2.96Å; E365-R371 VanDerWaalsContact CD-CZ 3.48Å; E365-R371 WeakPolarHBondContact O-CB 2.87Å; E365-R371 WeakPolarHBondContact O-CD 3.25Å; E365-R371 WeakPolarHBondContact O-CG 3.28Å; E365-R371 IonicContact OE1-CZ 2.83Å; E365-R371 IonicContact OE1-NH2 2.66Å; E365-R371 PolarHBondContact OE1-NH2 3.34Å; E365-R371 VanDerWaalsContact OE1-NH2 3.08Å; E365-R371 IonicContact OE2-CZ 3.82Å; E365-R371 IonicContact OE2-NH1 2.82Å; E365-R371 PolarHBondContact OE2-NH1 2.02Å; E365-R371 IonicContact OE2-NH2 3.14Å; E365-R371 PolarHBondContact OE2-NH2 3.25Å
366	G	75.8	Confident	84.6	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.			trans	-100	16.9	-164	0	0	0	0	0	116.4	Y257 T334 I364	Y257-G366 VanDerWaalsContact CE1-O 3.22Å; Y257-G366 WeakPolarHBondContact CE1-O 3.26Å; Y257-G366 VanDerWaalsContact CZ-O 3.29Å; Y257-G366 PolarHBondContact OH-O 3.27Å; T334-G366 PolarHBondContact O-N 2.83Å; I364-G366 PolarHBondContact O-N 2.95Å
367	N	75.1	Confident	84.6	Confident	73 Å²	73	20.5 Å²	20.5	39%	0.39	11%	0.106	S	C	.	.	S	Bend	trans	-84	-14.6	-164.1	62.7	-0	0	0	0	117.6	E365 R371	E365-N367 PolarHBondContact OE1-ND2 2.96Å; N367-R371 PolarHBondContact OD1-NE 3.12Å; N367-R371 PolarHBondContact OD1-NH2 2.99Å
368	H	76.4	Confident	85	Confident	20 Å²	20	16.6 Å²	16.6	9%	0.093	8%	0.079	C	C	.	.	S	Bend	trans	-152.3	163.7	177.7	64.8	63.6	0	0	0	114.2	Y257 G370 R371 F469 F470	Y257-H368 WeakPolarHBondContact OH-CA 3.03Å; Y257-H368 PolarHBondContact OH-N 3.36Å; Y257-H368 PolarHBondContact OH-O 3.27Å; H368-G370 VanDerWaalsContact C-N 3.28Å; H368-G370 WeakPolarHBondContact ND1-CA 3.42Å; H368-G370 PolarHBondContact ND1-N 3.32Å; H368-G370 VanDerWaalsContact ND1-N 3.12Å; H368-G370 PolarHBondContact O-N 3.2Å; H368-G370 VanDerWaalsContact O-N 3.17Å; H368-R371 PolarHBondContact CD2-NE 2.84Å; H368-R371 PolarHBondContact CE1-NE 3Å; H368-R371 PolarHBondContact ND1-N 3.08Å; H368-R371 PolarHBondContact NE2-NE 2.85Å; H368-R371 PolarHBondContact NE2-NH2 2.71Å; H368-R371 VanDerWaalsContact O-CB 3.27Å; H368-R371 WeakPolarHBondContact O-CB 3.12Å; H368-R371 WeakPolarHBondContact O-CG 3.1Å; H368-R371 PolarHBondContact O-N 3.5Å; H368-F469 WeakPolarHBondContact CB-O 3.08Å; H368-F470 HydrophobicContact CB-CD1 4.19Å; H368-F470 HydrophobicContact CB-CD2 4.36Å; H368-F470 HydrophobicContact CB-CG 4.14Å; H368-F470 AromaticContact CD2-CD1 3.67Å; H368-F470 AromaticContact CD2-CE1 3.72Å; H368-F470 AromaticContact CE1-CD1 3.93Å; H368-F470 AromaticContact CE1-CE1 3.18Å; H368-F470 WeakPolarHBondContact CE1-CE1 3.34Å; H368-F470 AromaticContact CE1-CZ 3.54Å; H368-F470 AromaticContact CG-CD1 3.65Å; H368-F470 AromaticContact CG-CE1 3.63Å; H368-F470 AromaticContact ND1-CD1 3.81Å; H368-F470 AromaticContact ND1-CE1 3.29Å; H368-F470 VanDerWaalsContact ND1-CE1 3.29Å; H368-F470 WeakPolarHBondContact ND1-CE1 3.2Å; H368-F470 AromaticContact ND1-CE2 3.93Å; H368-F470 AromaticContact ND1-CZ 3.38Å; H368-F470 WeakPolarHBondContact ND1-CZ 3.26Å; H368-F470 AromaticContact NE2-CD1 3.85Å; H368-F470 AromaticContact NE2-CE1 3.45Å; H368-F470 WeakPolarHBondContact NE2-CE1 3.49Å
369	L	77.2	Confident	85.1	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.8	-174.7	-71.5	167	0	0	0	114.9	Y257 L261 R371 S372 Y461 Q466 F469 L508	Y257-L369 HydrophobicContact CD2-CD2 3.68Å; Y257-L369 HydrophobicContact CD2-CG 4.33Å; Y257-L369 HydrophobicContact CE2-CD2 3.64Å; Y257-L369 HydrophobicContact CE2-CG 3.99Å; L261-L369 HydrophobicContact CD2-CD2 4.3Å; L261-L369 WeakPolarHBondContact CD2-O 3.04Å; L369-R371 PolarHBondContact O-N 3.26Å; L369-R371 VanDerWaalsContact O-N 3.12Å; L369-S372 PolarHBondContact O-N 2.92Å; L369-S372 PolarHBondContact O-OG 3.46Å; L369-Y461 HydrophobicContact CD1-CD1 3.75Å; L369-Y461 HydrophobicContact CD1-CD2 4.15Å; L369-Y461 HydrophobicContact CD1-CE1 4.3Å; L369-Y461 HydrophobicContact CD1-CG 3.65Å; L369-Y461 HydrophobicContact CD2-CD2 4.47Å; L369-Y461 HydrophobicContact CD2-CE2 4.41Å; L369-Q466 HydrophobicContact CD1-CG 3.99Å; L369-F469 HydrophobicContact CD1-CB 4.42Å; L369-F469 HydrophobicContact CD1-CD2 3.93Å; L369-F469 HydrophobicContact CD1-CE2 4.47Å; L369-F469 HydrophobicContact CD1-CG 4.21Å; L369-F469 HydrophobicContact CG-CB 4.48Å; L369-F469 HydrophobicContact CG-CD2 4.49Å; L369-F469 HydrophobicContact CG-CG 4.33Å; L369-L508 HydrophobicContact CB-CD1 4.11Å; L369-L508 HydrophobicContact CB-CD2 4.47Å; L369-L508 HydrophobicContact CD1-CD1 4Å; L369-L508 HydrophobicContact CD2-CD1 4.43Å; L369-L508 HydrophobicContact CG-CD1 4.41Å
370	G	75.4	Confident	85	Confident	2 Å²	2	9.9 Å²	9.9	2%	0.021	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	171.4	0	0	0	0	0	115.2	H368 S372 F373	H368-G370 VanDerWaalsContact C-N 3.28Å; H368-G370 WeakPolarHBondContact ND1-CA 3.42Å; H368-G370 PolarHBondContact ND1-N 3.32Å; H368-G370 VanDerWaalsContact ND1-N 3.12Å; H368-G370 PolarHBondContact O-N 3.2Å; H368-G370 VanDerWaalsContact O-N 3.17Å; G370-S372 PolarHBondContact O-N 3.3Å; G370-S372 VanDerWaalsContact O-N 3.14Å; G370-F373 WeakPolarHBondContact O-CD2 3.05Å; G370-F373 PolarHBondContact O-N 3.42Å; G370-F373 VanDerWaalsContact O-N 3.09Å
371	R	83.3	Confident	84.9	Confident	26 Å²	26	10.4 Å²	10.4	10%	0.098	5%	0.051	C	C	.	.	H	α-helix	trans	-68.4	-10.3	176.7	-58.1	-65.3	176.9	165.8	2.3	113	A346 I364 E365 N367 H368 L369 F373 V374 M375	A346-R371 VanDerWaalsContact CB-NH1 3.28Å; I364-R371 HydrophobicContact CG2-CB 4.11Å; E365-R371 VanDerWaalsContact CD-CZ 3.48Å; E365-R371 WeakPolarHBondContact O-CB 2.87Å; E365-R371 WeakPolarHBondContact O-CD 3.25Å; E365-R371 WeakPolarHBondContact O-CG 3.28Å; E365-R371 IonicContact OE1-CZ 2.83Å; E365-R371 IonicContact OE1-NH2 2.66Å; E365-R371 PolarHBondContact OE1-NH2 3.34Å; E365-R371 VanDerWaalsContact OE1-NH2 3.08Å; E365-R371 IonicContact OE2-CZ 3.82Å; E365-R371 IonicContact OE2-NH1 2.82Å; E365-R371 PolarHBondContact OE2-NH1 2.02Å; E365-R371 IonicContact OE2-NH2 3.14Å; E365-R371 PolarHBondContact OE2-NH2 3.25Å; N367-R371 PolarHBondContact OD1-NE 3.12Å; N367-R371 PolarHBondContact OD1-NH2 2.99Å; H368-R371 PolarHBondContact CD2-NE 2.84Å; H368-R371 PolarHBondContact CE1-NE 3Å; H368-R371 PolarHBondContact ND1-N 3.08Å; H368-R371 PolarHBondContact NE2-NE 2.85Å; H368-R371 PolarHBondContact NE2-NH2 2.71Å; H368-R371 VanDerWaalsContact O-CB 3.27Å; H368-R371 WeakPolarHBondContact O-CB 3.12Å; H368-R371 WeakPolarHBondContact O-CG 3.1Å; H368-R371 PolarHBondContact O-N 3.5Å; L369-R371 PolarHBondContact O-N 3.26Å; L369-R371 VanDerWaalsContact O-N 3.12Å; R371-F373 VanDerWaalsContact C-N 3.3Å; R371-F373 PolarHBondContact O-N 2.94Å; R371-V374 PolarHBondContact O-N 2.71Å; R371-M375 WeakPolarHBondContact O-CB 3.05Å; R371-M375 PolarHBondContact O-N 2.89Å
372	S	83	Confident	84.7	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.8	-33.2	168.1	53.5	0	0	0	0	113	N264 V265 L369 G370 A376	N264-S372 PolarHBondContact ND2-OG 3.42Å; V265-S372 VanDerWaalsContact CG2-O 3.27Å; V265-S372 WeakPolarHBondContact CG2-O 3.07Å; L369-S372 PolarHBondContact O-N 2.92Å; L369-S372 PolarHBondContact O-OG 3.46Å; G370-S372 PolarHBondContact O-N 3.3Å; G370-S372 VanDerWaalsContact O-N 3.14Å; S372-A376 WeakPolarHBondContact O-CB 3.45Å; S372-A376 PolarHBondContact O-N 3.39Å
373	F	83.6	Confident	84.3	Confident	10 Å²	10	11.3 Å²	11.3	4%	0.044	6%	0.055	C	C	.	.	H	α-helix	trans	-71.2	-40.9	176	-61	-76.6	0	0	0	111.5	L268 G370 R371 A376 H377 L400 T410 H505 P506	L268-F373 HydrophobicContact CD1-CD1 3.57Å; L268-F373 HydrophobicContact CD1-CE1 3.84Å; L268-F373 HydrophobicContact CD1-CG 4.39Å; L268-F373 HydrophobicContact CD2-CD1 4.27Å; L268-F373 HydrophobicContact CD2-CE1 3.92Å; G370-F373 WeakPolarHBondContact O-CD2 3.05Å; G370-F373 PolarHBondContact O-N 3.42Å; G370-F373 VanDerWaalsContact O-N 3.09Å; R371-F373 VanDerWaalsContact C-N 3.3Å; R371-F373 PolarHBondContact O-N 2.94Å; F373-A376 WeakPolarHBondContact O-CB 3.4Å; F373-A376 PolarHBondContact O-N 2.86Å; F373-H377 PolarHBondContact O-N 3.36Å; F373-L400 HydrophobicContact CD1-CD2 4.31Å; F373-T410 HydrophobicContact CE1-CG2 3.92Å; F373-H505 HydrophobicContact CD2-CB 3.88Å; F373-H505 AromaticContact CD2-CD2 3.5Å; F373-H505 VanDerWaalsContact CD2-CD2 3.5Å; F373-H505 WeakPolarHBondContact CD2-CD2 3.13Å; F373-H505 AromaticContact CD2-CG 3.91Å; F373-H505 HydrophobicContact CE2-CB 3.92Å; F373-H505 AromaticContact CG-CD2 3.81Å; F373-P506 HydrophobicContact CZ-CB 3.97Å; F373-P506 HydrophobicContact CZ-CG 4.36Å
374	V	84.4	Confident	83.9	Confident	8 Å²	8	12 Å²	12	5%	0.048	6%	0.063	C	C	.	.	H	α-helix	trans	-63.8	-46.7	173.8	-178.9	0	0	0	0	110.4	A346 I364 R371 A376 H377 E378	A346-V374 HydrophobicContact CB-CG1 3.93Å; A346-V374 HydrophobicContact CB-CG2 4Å; I364-V374 HydrophobicContact CG2-CG1 4.42Å; R371-V374 PolarHBondContact O-N 2.71Å; V374-A376 VanDerWaalsContact C-N 3.27Å; V374-A376 PolarHBondContact O-N 2.86Å; V374-H377 WeakPolarHBondContact O-CA 3.28Å; V374-H377 WeakPolarHBondContact O-CB 3.34Å; V374-H377 PolarHBondContact O-N 3.4Å; V374-E378 HydrophobicContact CG1-CG 4.36Å; V374-E378 WeakPolarHBondContact O-CG 3.39Å; V374-E378 PolarHBondContact O-N 2.71Å
375	M	86.3	Confident	83.7	Confident	2 Å²	2	12.1 Å²	12.1	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-57.6	-40.7	175.5	-175.3	178.6	-63.5	0	0	112	V265 T331 L333 I364 R371 M379	V265-M375 HydrophobicContact CG2-CB 3.93Å; V265-M375 HydrophobicContact CG2-CG 3.95Å; V265-M375 HydrophobicContact CG2-SD 3.87Å; T331-M375 HydrophobicContact CG2-CE 3.54Å; T331-M375 HydrophobicContact CG2-CG 4.25Å; T331-M375 HydrophobicContact CG2-SD 4.02Å; L333-M375 HydrophobicContact CD1-CE 4.5Å; L333-M375 HydrophobicContact CD2-CE 3.4Å; L333-M375 VanDerWaalsContact CD2-CE 3.4Å; L333-M375 HydrophobicContact CG-CE 4.12Å; I364-M375 HydrophobicContact CD1-CG 4.44Å; I364-M375 HydrophobicContact CG1-CB 4.06Å; I364-M375 HydrophobicContact CG1-CG 4.33Å; R371-M375 WeakPolarHBondContact O-CB 3.05Å; R371-M375 PolarHBondContact O-N 2.89Å; M375-M379 HydrophobicContact CG-SD 4.26Å; M375-M379 WeakPolarHBondContact O-CB 3.44Å; M375-M379 VanDerWaalsContact O-CG 3.26Å; M375-M379 WeakPolarHBondContact O-CG 3.43Å; M375-M379 PolarHBondContact O-N 3.46Å
376	A	85.6	Confident	83.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.9	-50.3	173.3	0	0	0	0	0	110.9	V265 L268 S372 F373 V374 E378 M379 G380 W412	V265-A376 HydrophobicContact CG1-CB 4.35Å; L268-A376 HydrophobicContact CB-CB 4.41Å; L268-A376 HydrophobicContact CD1-CB 4.04Å; S372-A376 WeakPolarHBondContact O-CB 3.45Å; S372-A376 PolarHBondContact O-N 3.39Å; F373-A376 WeakPolarHBondContact O-CB 3.4Å; F373-A376 PolarHBondContact O-N 2.86Å; V374-A376 VanDerWaalsContact C-N 3.27Å; V374-A376 PolarHBondContact O-N 2.86Å; A376-E378 PolarHBondContact O-N 3.49Å; A376-M379 PolarHBondContact O-N 3.29Å; A376-M379 VanDerWaalsContact O-N 3.16Å; A376-G380 PolarHBondContact O-N 2.87Å; A376-W412 HydrophobicContact CB-CH2 4.32Å; A376-W412 HydrophobicContact CB-CZ2 4.3Å; A376-W412 WeakPolarHBondContact O-CH2 3.23Å
377	H	86.4	Confident	84.1	Confident	21 Å²	21	15.9 Å²	15.9	10%	0.097	8%	0.082	C	C	.	.	H	α-helix	trans	-51.7	-50.2	176.3	-178.4	104.3	0	0	0	112.6	F373 V374 M379 G380 H381 H387 L400 S402	F373-H377 PolarHBondContact O-N 3.36Å; V374-H377 WeakPolarHBondContact O-CA 3.28Å; V374-H377 WeakPolarHBondContact O-CB 3.34Å; V374-H377 PolarHBondContact O-N 3.4Å; H377-M379 PolarHBondContact O-N 2.83Å; H377-G380 WeakPolarHBondContact O-CA 3.38Å; H377-G380 PolarHBondContact O-N 2.78Å; H377-H381 AromaticContact CD2-CD2 3.62Å; H377-H381 AromaticContact CD2-NE2 3.62Å; H377-H381 AromaticContact CE1-NE2 3.95Å; H377-H381 AromaticContact NE2-CD2 3.56Å; H377-H381 AromaticContact NE2-NE2 3.03Å; H377-H381 PolarHBondContact NE2-NE2 2.03Å; H377-H381 PolarHBondContact O-N 3.39Å; H377-H381 VanDerWaalsContact O-N 3.11Å; H377-H387 AromaticContact CE1-CD2 3.64Å; H377-H387 AromaticContact CE1-NE2 3.68Å; H377-H387 AromaticContact NE2-CD2 3.68Å; H377-H387 AromaticContact NE2-NE2 3.29Å; H377-H387 PolarHBondContact NE2-NE2 3.42Å; H377-L400 PolarHBondContact ND1-O 3.11Å; H377-S402 PolarHBondContact CE1-O 3.19Å
378	E	90.5	Very high	84.3	Confident	15 Å²	15	12.4 Å²	12.4	7%	0.07	6%	0.063	C	C	.	.	H	α-helix	trans	-65.3	-35.7	179.3	-61.6	-40	136.1	0	0	113.3	G347 V348 A349 I364 V374 A376 G380 H381 N382	G347-E378 VanDerWaalsContact C-CD 3.45Å; V348-E378 VanDerWaalsContact C-OE2 3.31Å; V348-E378 WeakPolarHBondContact CA-OE2 3.44Å; A349-E378 HydrophobicContact CB-CB 3.92Å; A349-E378 PolarHBondContact N-OE2 3.2Å; I364-E378 HydrophobicContact CG1-CG 4.33Å; V374-E378 HydrophobicContact CG1-CG 4.36Å; V374-E378 WeakPolarHBondContact O-CG 3.39Å; V374-E378 PolarHBondContact O-N 2.71Å; A376-E378 PolarHBondContact O-N 3.49Å; E378-G380 VanDerWaalsContact C-N 3.28Å; E378-H381 PolarHBondContact O-N 3.38Å; E378-H381 IonicContact OE2-CD2 2.73Å; E378-N382 PolarHBondContact O-N 3.38Å; E378-N382 VanDerWaalsContact O-N 3.14Å; E378-N382 PolarHBondContact O-ND2 3.23Å
379	M	87.8	Confident	84.1	Confident	2 Å²	2	13 Å²	13	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-32.2	171.5	-72.2	179.7	72.2	0	0	111.5	L228 L230 V265 M375 A376 H377 N382 L383	L228-M379 HydrophobicContact CD2-CE 3.4Å; L228-M379 VanDerWaalsContact CD2-CE 3.4Å; L230-M379 HydrophobicContact CD1-CE 4.3Å; L230-M379 HydrophobicContact CD2-CE 3.85Å; V265-M379 HydrophobicContact CG1-SD 3.7Å; M375-M379 HydrophobicContact CG-SD 4.26Å; M375-M379 WeakPolarHBondContact O-CB 3.44Å; M375-M379 VanDerWaalsContact O-CG 3.26Å; M375-M379 WeakPolarHBondContact O-CG 3.43Å; M375-M379 PolarHBondContact O-N 3.46Å; A376-M379 PolarHBondContact O-N 3.29Å; A376-M379 VanDerWaalsContact O-N 3.16Å; H377-M379 PolarHBondContact O-N 2.83Å; M379-N382 PolarHBondContact O-N 3.44Å; M379-L383 WeakPolarHBondContact O-CB 3.47Å; M379-L383 VanDerWaalsContact O-CG 3.27Å; M379-L383 WeakPolarHBondContact O-CG 3.48Å; M379-L383 PolarHBondContact O-N 3.17Å
380	G	87.7	Confident	83.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-48.8	171.7	0	0	0	0	0	111.8	A376 H377 E378 N382 L383 G384 M385	A376-G380 PolarHBondContact O-N 2.87Å; H377-G380 WeakPolarHBondContact O-CA 3.38Å; H377-G380 PolarHBondContact O-N 2.78Å; E378-G380 VanDerWaalsContact C-N 3.28Å; G380-N382 PolarHBondContact O-N 3.05Å; G380-L383 CarbonylContact O-C 3.6Å; G380-L383 WeakPolarHBondContact O-CA 2.97Å; G380-L383 PolarHBondContact O-N 2.82Å; G380-L383 VanDerWaalsContact O-N 3.1Å; G380-G384 PolarHBondContact O-N 3.14Å; G380-M385 VanDerWaalsContact O-CB 3.31Å; G380-M385 WeakPolarHBondContact O-CB 3.36Å; G380-M385 WeakPolarHBondContact O-CG 3.39Å; G380-M385 PolarHBondContact O-N 3.19Å
381	H	86.6	Confident	83.3	Confident	14 Å²	14	23.1 Å²	23.1	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-56.8	-48.2	172.9	-77.8	-54.5	0	0	0	112	V351 A352 H377 E378 L383 G384 M385 H387 M401	V351-H381 CarbonylContact C-O 3.58Å; V351-H381 VanDerWaalsContact CA-O 3.31Å; V351-H381 WeakPolarHBondContact CA-O 3.04Å; V351-H381 HydrophobicContact CG2-CB 4.23Å; A352-H381 PolarHBondContact N-O 3.02Å; H377-H381 AromaticContact CD2-CD2 3.62Å; H377-H381 AromaticContact CD2-NE2 3.62Å; H377-H381 AromaticContact CE1-NE2 3.95Å; H377-H381 AromaticContact NE2-CD2 3.56Å; H377-H381 AromaticContact NE2-NE2 3.03Å; H377-H381 PolarHBondContact NE2-NE2 2.03Å; H377-H381 PolarHBondContact O-N 3.39Å; H377-H381 VanDerWaalsContact O-N 3.11Å; E378-H381 PolarHBondContact O-N 3.38Å; E378-H381 IonicContact OE2-CD2 2.73Å; H381-L383 PolarHBondContact O-N 3.43Å; H381-G384 WeakPolarHBondContact O-CA 2.99Å; H381-G384 PolarHBondContact O-N 2.96Å; H381-M385 PolarHBondContact ND1-O 2.84Å; H381-M385 VanDerWaalsContact ND1-O 3.15Å; H381-H387 AromaticContact CE1-CD2 3.4Å; H381-H387 PolarHBondContact CE1-CD2 3.32Å; H381-H387 VanDerWaalsContact CE1-CD2 3.4Å; H381-H387 AromaticContact CE1-NE2 3.36Å; H381-H387 PolarHBondContact CE1-NE2 3Å; H381-H387 AromaticContact NE2-CD2 3.42Å; H381-H387 PolarHBondContact NE2-CD2 3.5Å; H381-H387 AromaticContact NE2-CE1 3.96Å; H381-H387 AromaticContact NE2-NE2 3.02Å; H381-H387 PolarHBondContact NE2-NE2 3.04Å; H381-M401 WeakPolarHBondContact CE1-CE 3.44Å
382	N	88.8	Confident	83	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.7	-36.2	176.4	-85.2	-86.2	0	0	0	112.7	H329 A349 P350 A352 R353 M354 C361 E378 M379 G380 G384	H329-N382 PolarHBondContact CE1-ND2 2.8Å; H329-N382 VanDerWaalsContact CE1-ND2 3.3Å; H329-N382 PolarHBondContact CE1-OD1 3.41Å; A349-N382 WeakPolarHBondContact CB-ND2 3.47Å; P350-N382 WeakPolarHBondContact O-CA 3.42Å; A352-N382 CarbonylContact C-O 3.51Å; A352-N382 VanDerWaalsContact CA-O 3.28Å; A352-N382 WeakPolarHBondContact CA-O 3.34Å; R353-N382 PolarHBondContact N-O 2.92Å; R353-N382 VanDerWaalsContact N-O 3.1Å; M354-N382 HydrophobicContact CB-CB 4.4Å; M354-N382 VanDerWaalsContact CB-O 3.29Å; M354-N382 WeakPolarHBondContact CB-O 3.34Å; M354-N382 HydrophobicContact CE-CB 3.86Å; M354-N382 PolarHBondContact N-O 3.14Å; C361-N382 PolarHBondContact O-ND2 3.09Å; E378-N382 PolarHBondContact O-N 3.38Å; E378-N382 VanDerWaalsContact O-N 3.14Å; E378-N382 PolarHBondContact O-ND2 3.23Å; M379-N382 PolarHBondContact O-N 3.44Å; G380-N382 PolarHBondContact O-N 3.05Å; N382-G384 PolarHBondContact O-N 2.85Å
383	L	86.8	Confident	82.7	Confident	19 Å²	19	32.4 Å²	32.4	10%	0.099	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	11.5	176.8	-68.7	167.3	0	0	0	113.6	M354 M379 G380 H381 L420 F423	M354-L383 HydrophobicContact CB-CD2 4.02Å; M354-L383 HydrophobicContact CE-CD1 4.49Å; M354-L383 HydrophobicContact CE-CD2 3.85Å; M354-L383 HydrophobicContact CE-CG 3.82Å; M354-L383 HydrophobicContact CG-CD2 3.74Å; M379-L383 WeakPolarHBondContact O-CB 3.47Å; M379-L383 VanDerWaalsContact O-CG 3.27Å; M379-L383 WeakPolarHBondContact O-CG 3.48Å; M379-L383 PolarHBondContact O-N 3.17Å; G380-L383 CarbonylContact O-C 3.6Å; G380-L383 WeakPolarHBondContact O-CA 2.97Å; G380-L383 PolarHBondContact O-N 2.82Å; G380-L383 VanDerWaalsContact O-N 3.1Å; H381-L383 PolarHBondContact O-N 3.43Å; L383-L420 HydrophobicContact CB-CD1 3.73Å; L383-L420 HydrophobicContact CD1-CD1 4.04Å; L383-L420 HydrophobicContact CD2-CD1 4.18Å; L383-L420 HydrophobicContact CG-CD1 4.21Å; L383-F423 HydrophobicContact CD2-CD1 4.43Å; L383-F423 HydrophobicContact CD2-CE1 4.24Å; L383-F423 WeakPolarHBondContact O-CB 3.42Å; L383-F423 VanDerWaalsContact O-CD1 3.27Å; L383-F423 WeakPolarHBondContact O-CD1 3.01Å; L383-F423 WeakPolarHBondContact O-CG 3.42Å
384	G	84.4	Confident	82.6	Confident	15 Å²	15	33 Å²	33	16%	0.155	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	13.7	172.2	0	0	0	0	0	115.2	G380 H381 N382	G380-G384 PolarHBondContact O-N 3.14Å; H381-G384 WeakPolarHBondContact O-CA 2.99Å; H381-G384 PolarHBondContact O-N 2.96Å; N382-G384 PolarHBondContact O-N 2.85Å
385	M	86.1	Confident	82.1	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.192	C	C	.	.			trans	-77.1	147.5	171.3	-53.1	176.8	-175.5	0	0	110.5	G380 H381 M401 W412 S416 E419 L420	G380-M385 VanDerWaalsContact O-CB 3.31Å; G380-M385 WeakPolarHBondContact O-CB 3.36Å; G380-M385 WeakPolarHBondContact O-CG 3.39Å; G380-M385 PolarHBondContact O-N 3.19Å; H381-M385 PolarHBondContact ND1-O 2.84Å; H381-M385 VanDerWaalsContact ND1-O 3.15Å; M385-M401 HydrophobicContact CB-CE 3.85Å; M385-M401 HydrophobicContact CB-CG 4.02Å; M385-M401 HydrophobicContact CB-SD 4.09Å; M385-M401 HydrophobicContact SD-CG 3.94Å; M385-M401 HydrophobicContact SD-SD 4.17Å; M385-W412 HydrophobicContact CE-CD2 4.14Å; M385-W412 HydrophobicContact CE-CE3 3.94Å; M385-W412 HydrophobicContact CE-CH2 4.47Å; M385-W412 HydrophobicContact CE-CZ3 4.12Å; M385-W412 HydrophobicContact SD-CD2 4.24Å; M385-W412 HydrophobicContact SD-CE3 3.45Å; M385-W412 HydrophobicContact SD-CH2 4.2Å; M385-W412 HydrophobicContact SD-CZ3 3.44Å; M385-W412 WeakPolarHBondContact SD-CZ3 3.14Å; M385-S416 WeakPolarHBondContact CG-O 3.2Å; M385-E419 WeakPolarHBondContact CA-OE2 3.43Å; M385-L420 HydrophobicContact CE-CB 3.55Å; M385-L420 HydrophobicContact CE-CD1 4.08Å; M385-L420 HydrophobicContact CE-CD2 3.66Å; M385-L420 HydrophobicContact CE-CG 3.95Å; M385-L420 HydrophobicContact CG-CB 4.32Å
386	L	86.2	Confident	81.3	Confident	51 Å²	51	39.6 Å²	39.6	27%	0.267	21%	0.211	S	C	.	.			trans	-109.1	169.5	177.2	-61.4	177.9	0	0	0	110.4	V351 D388 Q391 E419	V351-L386 HydrophobicContact CG1-CD2 4.04Å; L386-D388 PolarHBondContact O-N 3.09Å; L386-Q391 HydrophobicContact CB-CB 4.09Å; L386-Q391 HydrophobicContact CD1-CB 3.98Å; L386-E419 PolarHBondContact N-OE2 2.83Å
387	H	83.7	Confident	80.4	Confident	51 Å²	51	44.3 Å²	44.3	24%	0.236	24%	0.24	C	C	.	.			trans	-66.1	131.4	174.3	-71.5	151.6	0	0	0	111.8	H377 H381 G389 I390 Q391 M401	H377-H387 AromaticContact CE1-CD2 3.64Å; H377-H387 AromaticContact CE1-NE2 3.68Å; H377-H387 AromaticContact NE2-CD2 3.68Å; H377-H387 AromaticContact NE2-NE2 3.29Å; H377-H387 PolarHBondContact NE2-NE2 3.42Å; H381-H387 AromaticContact CE1-CD2 3.4Å; H381-H387 PolarHBondContact CE1-CD2 3.32Å; H381-H387 VanDerWaalsContact CE1-CD2 3.4Å; H381-H387 AromaticContact CE1-NE2 3.36Å; H381-H387 PolarHBondContact CE1-NE2 3Å; H381-H387 AromaticContact NE2-CD2 3.42Å; H381-H387 PolarHBondContact NE2-CD2 3.5Å; H381-H387 AromaticContact NE2-CE1 3.96Å; H381-H387 AromaticContact NE2-NE2 3.02Å; H381-H387 PolarHBondContact NE2-NE2 3.04Å; H387-G389 PolarHBondContact O-N 2.6Å; H387-I390 HydrophobicContact CB-CB 4.26Å; H387-I390 HydrophobicContact CB-CD1 4.13Å; H387-I390 HydrophobicContact CB-CG1 4.38Å; H387-Q391 PolarHBondContact O-N 2.89Å; H387-M401 CarbonylContact C-O 3.53Å; H387-M401 VanDerWaalsContact CA-O 3.28Å; H387-M401 WeakPolarHBondContact CA-O 3.48Å
388	D	80.2	Confident	79.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-63.4	134.1	173	-70.4	-34.3	0	0	0	110.9	L386 I390 N392 C394 Q396 C399 M401 S413 S416	L386-D388 PolarHBondContact O-N 3.09Å; D388-I390 PolarHBondContact O-N 2.81Å; D388-I390 VanDerWaalsContact O-N 3.14Å; D388-N392 WeakPolarHBondContact CA-OD1 3.35Å; D388-N392 PolarHBondContact OD1-ND2 3.01Å; D388-C394 HydrophobicContact CB-CB 4.19Å; D388-Q396 WeakPolarHBondContact O-CA 2.94Å; D388-C399 WeakPolarHBondContact OD2-CB 3.08Å; D388-M401 PolarHBondContact N-O 2.67Å; D388-S413 VanDerWaalsContact CG-OG 3.28Å; D388-S413 WeakPolarHBondContact OD1-CB 3.43Å; D388-S413 PolarHBondContact OD1-OG 2.87Å; D388-S413 WeakPolarHBondContact OD2-CB 3.33Å; D388-S413 PolarHBondContact OD2-OG 3.27Å; D388-S416 PolarHBondContact OD1-OG 3.17Å
389	G	73	Confident	79.1	Confident	33 Å²	33	45.1 Å²	45.1	34%	0.34	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	-10.1	174.1	0	0	0	0	0	116.5	H387 N392 C394	H387-G389 PolarHBondContact O-N 2.6Å; G389-N392 PolarHBondContact N-OD1 3.17Å; G389-N392 VanDerWaalsContact N-OD1 3.08Å; G389-C394 WeakPolarHBondContact CA-O 3.32Å; G389-C394 PolarHBondContact N-O 2.94Å
390	I	67.1	Low	78.8	Confident	98 Å²	98	45.5 Å²	45.5	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-49.9	172.6	-58.1	179.6	0	0	0	110.2	H387 D388 S403	H387-I390 HydrophobicContact CB-CB 4.26Å; H387-I390 HydrophobicContact CB-CD1 4.13Å; H387-I390 HydrophobicContact CB-CG1 4.38Å; D388-I390 PolarHBondContact O-N 2.81Å; D388-I390 VanDerWaalsContact O-N 3.14Å; I390-S403 WeakPolarHBondContact CD1-OG 3.5Å
391	Q	67.2	Low	78.6	Confident	118 Å²	118	45.5 Å²	45.5	55%	0.551	25%	0.252	S	S	*	.	S	Bend	trans	-113.6	-2	-172.9	-62.1	174.7	-58.7	0	0	112.5	L386 H387	L386-Q391 HydrophobicContact CB-CB 4.09Å; L386-Q391 HydrophobicContact CD1-CB 3.98Å; H387-Q391 PolarHBondContact O-N 2.89Å
392	N	76.9	Confident	78.3	Confident	28 Å²	28	45 Å²	45	15%	0.15	25%	0.25	C	C	.	.	S	Bend	trans	-143.1	174.6	179.9	70.8	35.3	0	0	0	111.2	D388 G389 C394 C415 E419	D388-N392 WeakPolarHBondContact CA-OD1 3.35Å; D388-N392 PolarHBondContact OD1-ND2 3.01Å; G389-N392 PolarHBondContact N-OD1 3.17Å; G389-N392 VanDerWaalsContact N-OD1 3.08Å; N392-C394 VanDerWaalsContact C-N 3.29Å; N392-C394 PolarHBondContact O-N 3.03Å; N392-C394 WeakPolarHBondContact OD1-CB 3.48Å; N392-C394 PolarHBondContact OD1-N 3.39Å; N392-C415 HydrophobicContact CB-CB 4.04Å; N392-C415 VanDerWaalsContact ND2-CB 3.32Å; N392-C415 WeakPolarHBondContact ND2-CB 3.22Å; N392-E419 PolarHBondContact ND2-OE1 3.39Å
393	Q	77	Confident	77.5	Confident	193 Å²	193	47.2 Å²	47.2	90%	0.902	27%	0.265	S	S	*	.	S	Bend	trans	-84.2	2.7	-174.6	-62.4	172	3.7	0	0	113.8
394	C	81.1	Confident	76.6	Confident	21 Å²	21	49.9 Å²	49.9	14%	0.142	28%	0.282	C	S	.	.	S	Bend	trans	-82.4	159.4	-178.5	-76.1	0	0	0	0	111.4	D388 G389 N392 Q396 C415	D388-C394 HydrophobicContact CB-CB 4.19Å; G389-C394 WeakPolarHBondContact CA-O 3.32Å; G389-C394 PolarHBondContact N-O 2.94Å; N392-C394 VanDerWaalsContact C-N 3.29Å; N392-C394 PolarHBondContact O-N 3.03Å; N392-C394 WeakPolarHBondContact OD1-CB 3.48Å; N392-C394 PolarHBondContact OD1-N 3.39Å; C394-Q396 PolarHBondContact O-N 3.09Å; C394-C415 HydrophobicContact CB-CB 3.77Å; C394-C415 WeakPolarHBondContact CB-SG 3.5Å; C394-C415 PolarHBondContact N-SG 2.99Å; C394-C415 WeakPolarHBondContact SG-CB 3.36Å; C394-C415 PolarHBondContact SG-N 3.28Å; C394-C415 CovalentContact SG-SG 2.04Å; C394-C415 PolarHBondContact SG-SG 3.48Å
395	S	75.2	Confident	75.5	Confident	61 Å²	61	53.9 Å²	53.9	43%	0.427	30%	0.3	S	S	.	.			trans	-63.9	125.4	-178.6	172.5	0	0	0	0	111.4	T397 C398	S395-T397 PolarHBondContact O-N 2.69Å; S395-T397 PolarHBondContact OG-N 3.28Å; S395-T397 VanDerWaalsContact OG-N 3.13Å; S395-T397 PolarHBondContact OG-OG1 2.92Å; S395-C398 PolarHBondContact O-N 2.78Å
396	Q	69.7	Low	74.3	Confident	88 Å²	88	54.3 Å²	54.3	41%	0.411	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.3	172.6	-167.9	-179.5	-4	0	0	112.1	D388 C394 S402 S403	D388-Q396 WeakPolarHBondContact O-CA 2.94Å; C394-Q396 PolarHBondContact O-N 3.09Å; Q396-S402 WeakPolarHBondContact O-CB 3.33Å; Q396-S402 PolarHBondContact O-OG 3.26Å; Q396-S403 PolarHBondContact NE2-OG 2.82Å; Q396-S403 VanDerWaalsContact NE2-OG 3.15Å
397	T	66.6	Low	73.4	Confident	99 Å²	99	53.2 Å²	53.2	61%	0.607	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	1.9	-176.2	61.9	0	0	0	0	114.1	S395 R409	S395-T397 PolarHBondContact O-N 2.69Å; S395-T397 PolarHBondContact OG-N 3.28Å; S395-T397 VanDerWaalsContact OG-N 3.13Å; S395-T397 PolarHBondContact OG-OG1 2.92Å; T397-R409 PolarHBondContact O-NH1 2.76Å; T397-R409 PolarHBondContact O-NH2 2.72Å; T397-R409 VanDerWaalsContact O-NH2 3.09Å
398	C	67.5	Low	72.6	Confident	45 Å²	45	51.8 Å²	51.8	30%	0.304	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-56.1	-168.4	168.2	0	0	0	0	115.7	S395	S395-C398 PolarHBondContact O-N 2.78Å
399	C	80.9	Confident	72.3	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.061	31%	0.309	C	S	.	.	S	Bend	trans	-132.3	-178.5	-144	-65.6	0	0	0	0	111.1	D388 M401 S402 A411 S413	D388-C399 WeakPolarHBondContact OD2-CB 3.08Å; C399-M401 PolarHBondContact O-N 2.68Å; C399-S402 WeakPolarHBondContact O-CB 3.22Å; C399-S402 PolarHBondContact O-N 3.14Å; C399-A411 WeakPolarHBondContact CA-O 3.13Å; C399-A411 VanDerWaalsContact CB-O 3.3Å; C399-A411 WeakPolarHBondContact CB-O 3.26Å; C399-S413 VanDerWaalsContact SG-CA 3.54Å; C399-S413 WeakPolarHBondContact SG-CB 3.49Å
400	L	82.8	Confident	72.4	Confident	10 Å²	10	52 Å²	52	5%	0.052	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.4	-178.7	-85.1	164.5	0	0	0	113.4	L268 F373 H377 S402 R409 A411 W412	L268-L400 HydrophobicContact CB-CD1 4.39Å; F373-L400 HydrophobicContact CD1-CD2 4.31Å; H377-L400 PolarHBondContact ND1-O 3.11Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 3.19Å; L400-R409 WeakPolarHBondContact CD2-O 3.49Å; L400-R409 WeakPolarHBondContact CG-O 3.21Å; L400-A411 PolarHBondContact N-O 3.4Å; L400-W412 HydrophobicContact CB-CD2 4.29Å; L400-W412 HydrophobicContact CB-CE3 3.84Å; L400-W412 HydrophobicContact CB-CH2 4.48Å; L400-W412 HydrophobicContact CB-CZ3 3.94Å; L400-W412 HydrophobicContact CD1-CD2 3.87Å; L400-W412 HydrophobicContact CD1-CE3 4.24Å; L400-W412 HydrophobicContact CD1-CG 4.28Å; L400-W412 HydrophobicContact CD1-CH2 4.35Å; L400-W412 HydrophobicContact CD1-CZ2 3.96Å; L400-W412 HydrophobicContact CD1-CZ3 4.45Å
401	M	83.8	Confident	73.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.5	178	-67.9	-55.9	-61.1	0	0	113.9	H381 M385 H387 D388 C399 W412 S416	H381-M401 WeakPolarHBondContact CE1-CE 3.44Å; M385-M401 HydrophobicContact CB-CE 3.85Å; M385-M401 HydrophobicContact CB-CG 4.02Å; M385-M401 HydrophobicContact CB-SD 4.09Å; M385-M401 HydrophobicContact SD-CG 3.94Å; M385-M401 HydrophobicContact SD-SD 4.17Å; H387-M401 CarbonylContact C-O 3.53Å; H387-M401 VanDerWaalsContact CA-O 3.28Å; H387-M401 WeakPolarHBondContact CA-O 3.48Å; D388-M401 PolarHBondContact N-O 2.67Å; C399-M401 PolarHBondContact O-N 2.68Å; M401-W412 HydrophobicContact CG-CE3 3.82Å; M401-W412 HydrophobicContact CG-CZ3 3.69Å; M401-W412 HydrophobicContact SD-CE3 4.38Å; M401-W412 HydrophobicContact SD-CZ3 3.64Å; M401-S416 WeakPolarHBondContact CB-OG 3.17Å; M401-S416 WeakPolarHBondContact CG-OG 3.2Å
402	S	79.7	Confident	73.8	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.021	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-62.3	143.1	170.2	172.5	0	0	0	0	111.1	H377 Q396 C399 L400 V404 R409	H377-S402 PolarHBondContact CE1-O 3.19Å; Q396-S402 WeakPolarHBondContact O-CB 3.33Å; Q396-S402 PolarHBondContact O-OG 3.26Å; C399-S402 WeakPolarHBondContact O-CB 3.22Å; C399-S402 PolarHBondContact O-N 3.14Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 3.19Å; S402-V404 PolarHBondContact O-N 2.82Å; S402-V404 PolarHBondContact OG-N 2.79Å; S402-V404 VanDerWaalsContact OG-N 3.08Å; S402-V404 PolarHBondContact OG-O 2.92Å; S402-V404 VanDerWaalsContact OG-O 3.05Å; S402-R409 PolarHBondContact OG-NH1 2.77Å
403	S	71.5	Confident	74.1	Confident	46 Å²	46	43.3 Å²	43.3	32%	0.322	26%	0.256	S	S	.	.	S	Bend	trans	-71.1	-6.6	171.4	54.1	0	0	0	0	114	I390 Q396	I390-S403 WeakPolarHBondContact CD1-OG 3.5Å; Q396-S403 PolarHBondContact NE2-OG 2.82Å; Q396-S403 VanDerWaalsContact NE2-OG 3.15Å
404	V	67.5	Low	74.3	Confident	75 Å²	75	37.9 Å²	37.9	46%	0.455	24%	0.237	S	C	.	.	S	Bend	trans	-121	123.6	-178.5	-173.1	0	0	0	0	109.1	S402 R409	S402-V404 PolarHBondContact O-N 2.82Å; S402-V404 PolarHBondContact OG-N 2.79Å; S402-V404 VanDerWaalsContact OG-N 3.08Å; S402-V404 PolarHBondContact OG-O 2.92Å; S402-V404 VanDerWaalsContact OG-O 3.05Å; V404-R409 PolarHBondContact O-NE 3.37Å; V404-R409 PolarHBondContact O-NH1 3.42Å
405	N	62.1	Low	74.4	Confident	99 Å²	99	37.5 Å²	37.5	53%	0.529	24%	0.235	S	C	.	.			trans	-65.5	150.9	173.2	-65.6	-22.8	0	0	0	110.8
406	G	61.5	Low	74.9	Confident	13 Å²	13	34.6 Å²	34.6	13%	0.134	21%	0.214	C	C	.	.			trans	164.8	-179	172.6	0	0	0	0	0	115.7	R409 A504	G406-R409 VanDerWaalsContact N-NE 3.18Å; G406-R409 WeakPolarHBondContact O-CD 3.35Å; G406-R409 VanDerWaalsContact O-CG 3.27Å; G406-R409 WeakPolarHBondContact O-CG 3.15Å; G406-R409 PolarHBondContact O-NE 2.77Å; G406-A504 CarbonylContact C-O 3.56Å; G406-A504 VanDerWaalsContact C-O 3.29Å; G406-A504 WeakPolarHBondContact CA-O 3.06Å
407	A	66.4	Low	75.5	Confident	27 Å²	27	30.8 Å²	30.8	22%	0.223	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	138.1	-175	0	0	0	0	0	115.6	R409 Y490 V491	A407-R409 PolarHBondContact O-N 2.85Å; A407-Y490 WeakPolarHBondContact CA-O 3.35Å; A407-Y490 HydrophobicContact CB-CD1 3.78Å; A407-Y490 HydrophobicContact CB-CD2 4.44Å; A407-Y490 HydrophobicContact CB-CE1 3.26Å; A407-Y490 HydrophobicContact CB-CE2 3.98Å; A407-Y490 HydrophobicContact CB-CG 4.33Å; A407-V491 HydrophobicContact CB-CG2 3.09Å
408	G	66.6	Low	76.2	Confident	22 Å²	22	33 Å²	33	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	5	170.9	0	0	0	0	0	116.6	T410 Y490	G408-T410 VanDerWaalsContact C-N 3.27Å; G408-T410 PolarHBondContact O-N 3.37Å; G408-Y490 PolarHBondContact N-O 2.93Å
409	R	73.2	Confident	77	Confident	35 Å²	35	32.4 Å²	32.4	13%	0.132	19%	0.187	C	C	.	.			trans	-80.6	68	-176.9	-61.8	171.6	-164.1	-87.7	-1.7	111.8	T397 L400 S402 V404 G406 A407	T397-R409 PolarHBondContact O-NH1 2.76Å; T397-R409 PolarHBondContact O-NH2 2.72Å; T397-R409 VanDerWaalsContact O-NH2 3.09Å; L400-R409 WeakPolarHBondContact CD2-O 3.49Å; L400-R409 WeakPolarHBondContact CG-O 3.21Å; S402-R409 PolarHBondContact OG-NH1 2.77Å; V404-R409 PolarHBondContact O-NE 3.37Å; V404-R409 PolarHBondContact O-NH1 3.42Å; G406-R409 VanDerWaalsContact N-NE 3.18Å; G406-R409 WeakPolarHBondContact O-CD 3.35Å; G406-R409 VanDerWaalsContact O-CG 3.27Å; G406-R409 WeakPolarHBondContact O-CG 3.15Å; G406-R409 PolarHBondContact O-NE 2.77Å; A407-R409 PolarHBondContact O-N 2.85Å
410	T	77	Confident	77.1	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.018	19%	0.193	C	C	.	.			trans	-106.6	0.9	177.1	62.9	0	0	0	0	113.2	F373 G408 P506 N521 G522	F373-T410 HydrophobicContact CE1-CG2 3.92Å; G408-T410 VanDerWaalsContact C-N 3.27Å; G408-T410 PolarHBondContact O-N 3.37Å; T410-P506 HydrophobicContact CG2-CB 3.88Å; T410-P506 HydrophobicContact CG2-CG 3.59Å; T410-N521 WeakPolarHBondContact OG1-CA 3.47Å; T410-N521 PolarHBondContact OG1-O 3.27Å; T410-G522 PolarHBondContact OG1-N 3.24Å; T410-G522 VanDerWaalsContact OG1-N 3.16Å
411	A	80.7	Confident	76.8	Confident	37 Å²	37	34.9 Å²	34.9	31%	0.306	20%	0.198	S	C	.	.	S	Bend	trans	-125.8	145.3	-172.2	0	0	0	0	0	112.4	T272 C399 L400	T272-A411 HydrophobicContact CG2-CB 3.62Å; C399-A411 WeakPolarHBondContact CA-O 3.13Å; C399-A411 VanDerWaalsContact CB-O 3.3Å; C399-A411 WeakPolarHBondContact CB-O 3.26Å; L400-A411 PolarHBondContact N-O 3.4Å
412	W	81.6	Confident	76.5	Confident	22 Å²	22	38 Å²	38	8%	0.083	22%	0.22	C	C	.	.			trans	-75.7	144.5	172	-54.7	96.4	0	0	0	110.8	L268 T269 T272 A376 M385 L400 M401	L268-W412 PolarHBondContact O-NE1 3.11Å; T269-W412 HydrophobicContact CG2-CZ2 4.23Å; T272-W412 WeakPolarHBondContact OG1-CB 3.1Å; A376-W412 HydrophobicContact CB-CH2 4.32Å; A376-W412 HydrophobicContact CB-CZ2 4.3Å; A376-W412 WeakPolarHBondContact O-CH2 3.23Å; M385-W412 HydrophobicContact CE-CD2 4.14Å; M385-W412 HydrophobicContact CE-CE3 3.94Å; M385-W412 HydrophobicContact CE-CH2 4.47Å; M385-W412 HydrophobicContact CE-CZ3 4.12Å; M385-W412 HydrophobicContact SD-CD2 4.24Å; M385-W412 HydrophobicContact SD-CE3 3.45Å; M385-W412 HydrophobicContact SD-CH2 4.2Å; M385-W412 HydrophobicContact SD-CZ3 3.44Å; M385-W412 WeakPolarHBondContact SD-CZ3 3.14Å; L400-W412 HydrophobicContact CB-CD2 4.29Å; L400-W412 HydrophobicContact CB-CE3 3.84Å; L400-W412 HydrophobicContact CB-CH2 4.48Å; L400-W412 HydrophobicContact CB-CZ3 3.94Å; L400-W412 HydrophobicContact CD1-CD2 3.87Å; L400-W412 HydrophobicContact CD1-CE3 4.24Å; L400-W412 HydrophobicContact CD1-CG 4.28Å; L400-W412 HydrophobicContact CD1-CH2 4.35Å; L400-W412 HydrophobicContact CD1-CZ2 3.96Å; L400-W412 HydrophobicContact CD1-CZ3 4.45Å; M401-W412 HydrophobicContact CG-CE3 3.82Å; M401-W412 HydrophobicContact CG-CZ3 3.69Å; M401-W412 HydrophobicContact SD-CE3 4.38Å; M401-W412 HydrophobicContact SD-CZ3 3.64Å
413	S	83.9	Confident	76.7	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	22%	0.223	C	C	.	.			trans	-75.3	163.7	176.3	83.3	0	0	0	0	111.6	D388 C399 C415 S416 T417	D388-S413 VanDerWaalsContact CG-OG 3.28Å; D388-S413 WeakPolarHBondContact OD1-CB 3.43Å; D388-S413 PolarHBondContact OD1-OG 2.87Å; D388-S413 WeakPolarHBondContact OD2-CB 3.33Å; D388-S413 PolarHBondContact OD2-OG 3.27Å; C399-S413 VanDerWaalsContact SG-CA 3.54Å; C399-S413 WeakPolarHBondContact SG-CB 3.49Å; S413-C415 PolarHBondContact O-N 3.01Å; S413-C415 PolarHBondContact OG-N 2.9Å; S413-C415 VanDerWaalsContact OG-N 3.14Å; S413-S416 PolarHBondContact O-N 3.26Å; S413-S416 PolarHBondContact OG-N 2.99Å; S413-S416 PolarHBondContact OG-OG 3.23Å; S413-T417 PolarHBondContact O-N 3.26Å; S413-T417 PolarHBondContact O-OG1 2.75Å
414	P	80.6	Confident	77	Confident	79 Å²	79	37.4 Å²	37.4	51%	0.513	21%	0.212	S	C	.	.	H	α-helix	trans	-56.8	-29	169.2	-25.3	35.2	0	0	0	113.3	R418	P414-R418 WeakPolarHBondContact O-CB 3.34Å; P414-R418 PolarHBondContact O-N 2.64Å
415	C	83.6	Confident	77.4	Confident	13 Å²	13	35 Å²	35	9%	0.088	20%	0.197	C	C	.	.	H	α-helix	trans	-74.3	-53.3	177.5	-57.5	0	0	0	0	110.8	N392 C394 S413 T417 R418 E419	N392-C415 HydrophobicContact CB-CB 4.04Å; N392-C415 VanDerWaalsContact ND2-CB 3.32Å; N392-C415 WeakPolarHBondContact ND2-CB 3.22Å; C394-C415 HydrophobicContact CB-CB 3.77Å; C394-C415 WeakPolarHBondContact CB-SG 3.5Å; C394-C415 PolarHBondContact N-SG 2.99Å; C394-C415 WeakPolarHBondContact SG-CB 3.36Å; C394-C415 PolarHBondContact SG-N 3.28Å; C394-C415 CovalentContact SG-SG 2.04Å; C394-C415 PolarHBondContact SG-SG 3.48Å; S413-C415 PolarHBondContact O-N 3.01Å; S413-C415 PolarHBondContact OG-N 2.9Å; S413-C415 VanDerWaalsContact OG-N 3.14Å; C415-T417 PolarHBondContact O-N 3.49Å; C415-T417 VanDerWaalsContact O-N 3.15Å; C415-R418 WeakPolarHBondContact O-CB 3.49Å; C415-R418 PolarHBondContact O-N 2.86Å; C415-E419 VanDerWaalsContact O-CG 3.28Å; C415-E419 WeakPolarHBondContact O-CG 3.34Å; C415-E419 PolarHBondContact O-N 3.31Å
416	S	85.1	Confident	78	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-37.3	177.7	-37.5	0	0	0	0	111	M385 D388 M401 S413 E419 L420	M385-S416 WeakPolarHBondContact CG-O 3.2Å; D388-S416 PolarHBondContact OD1-OG 3.17Å; M401-S416 WeakPolarHBondContact CB-OG 3.17Å; M401-S416 WeakPolarHBondContact CG-OG 3.2Å; S413-S416 PolarHBondContact O-N 3.26Å; S413-S416 PolarHBondContact OG-N 2.99Å; S413-S416 PolarHBondContact OG-OG 3.23Å; S416-E419 PolarHBondContact O-N 3.26Å; S416-L420 WeakPolarHBondContact O-CB 3.42Å; S416-L420 PolarHBondContact O-N 2.91Å
417	T	82.1	Confident	78.5	Confident	8 Å²	8	31.9 Å²	31.9	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-36.4	179.4	-43.9	0	0	0	0	113	Y275 S413 C415 Q421	Y275-T417 HydrophobicContact CD2-CG2 3.59Å; Y275-T417 HydrophobicContact CE2-CG2 3.08Å; S413-T417 PolarHBondContact O-N 3.26Å; S413-T417 PolarHBondContact O-OG1 2.75Å; C415-T417 PolarHBondContact O-N 3.49Å; C415-T417 VanDerWaalsContact O-N 3.15Å; T417-Q421 VanDerWaalsContact O-CG 3.31Å; T417-Q421 WeakPolarHBondContact O-CG 3.18Å; T417-Q421 PolarHBondContact O-N 2.74Å; T417-Q421 VanDerWaalsContact O-N 3.1Å
418	R	81	Confident	78.8	Confident	146 Å²	146	32.9 Å²	32.9	55%	0.551	19%	0.188	S	C	*	.	H	α-helix	trans	-67	-38.4	173.2	-172.3	-170.4	-52.2	176.9	4.5	111.7	P414 C415 Q421 S422	P414-R418 WeakPolarHBondContact O-CB 3.34Å; P414-R418 PolarHBondContact O-N 2.64Å; C415-R418 WeakPolarHBondContact O-CB 3.49Å; C415-R418 PolarHBondContact O-N 2.86Å; R418-Q421 PolarHBondContact O-N 2.56Å; R418-S422 WeakPolarHBondContact O-CB 3.09Å; R418-S422 PolarHBondContact O-N 2.71Å; R418-S422 PolarHBondContact O-OG 2.98Å
419	E	85	Confident	79	Confident	32 Å²	32	38.2 Å²	38.2	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-47.4	177.2	-69.7	160.9	-174.1	0	0	110.8	M385 L386 N392 C415 S416 Q421 S422 F423	M385-E419 WeakPolarHBondContact CA-OE2 3.43Å; L386-E419 PolarHBondContact N-OE2 2.83Å; N392-E419 PolarHBondContact ND2-OE1 3.39Å; C415-E419 VanDerWaalsContact O-CG 3.28Å; C415-E419 WeakPolarHBondContact O-CG 3.34Å; C415-E419 PolarHBondContact O-N 3.31Å; S416-E419 PolarHBondContact O-N 3.26Å; E419-Q421 VanDerWaalsContact C-N 3.31Å; E419-Q421 PolarHBondContact O-N 3.16Å; E419-S422 WeakPolarHBondContact O-CB 3.26Å; E419-S422 PolarHBondContact O-N 2.85Å; E419-S422 VanDerWaalsContact O-N 3.11Å; E419-F423 PolarHBondContact O-N 2.02Å
420	L	83.1	Confident	78.6	Confident	34 Å²	34	42.5 Å²	42.5	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-53.9	-46.4	172.1	173	63.6	0	0	0	112	L383 M385 S416 S422 F423 L424	L383-L420 HydrophobicContact CB-CD1 3.73Å; L383-L420 HydrophobicContact CD1-CD1 4.04Å; L383-L420 HydrophobicContact CD2-CD1 4.18Å; L383-L420 HydrophobicContact CG-CD1 4.21Å; M385-L420 HydrophobicContact CE-CB 3.55Å; M385-L420 HydrophobicContact CE-CD1 4.08Å; M385-L420 HydrophobicContact CE-CD2 3.66Å; M385-L420 HydrophobicContact CE-CG 3.95Å; M385-L420 HydrophobicContact CG-CB 4.32Å; S416-L420 WeakPolarHBondContact O-CB 3.42Å; S416-L420 PolarHBondContact O-N 2.91Å; L420-S422 VanDerWaalsContact C-N 3.34Å; L420-S422 PolarHBondContact O-N 2.83Å; L420-F423 WeakPolarHBondContact O-CB 3.37Å; L420-F423 PolarHBondContact O-N 3.37Å; L420-L424 HydrophobicContact CD1-CD1 4.19Å; L420-L424 HydrophobicContact CD1-CG 4.1Å; L420-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 HydrophobicContact CG-CG 4.43Å; L420-L424 VanDerWaalsContact O-CG 3.31Å; L420-L424 WeakPolarHBondContact O-CG 3.29Å; L420-L424 PolarHBondContact O-N 2.83Å
421	Q	76.2	Confident	78.2	Confident	36 Å²	36	51.4 Å²	51.4	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-43.7	177.8	-75.2	173.4	0.6	0	0	112.5	T417 R418 E419 F423 L424 L425	T417-Q421 VanDerWaalsContact O-CG 3.31Å; T417-Q421 WeakPolarHBondContact O-CG 3.18Å; T417-Q421 PolarHBondContact O-N 2.74Å; T417-Q421 VanDerWaalsContact O-N 3.1Å; R418-Q421 PolarHBondContact O-N 2.56Å; E419-Q421 VanDerWaalsContact C-N 3.31Å; E419-Q421 PolarHBondContact O-N 3.16Å; Q421-F423 PolarHBondContact O-N 3.49Å; Q421-L424 PolarHBondContact O-N 2.03Å; Q421-L425 WeakPolarHBondContact O-CB 2.81Å; Q421-L425 WeakPolarHBondContact O-CD1 3.42Å; Q421-L425 VanDerWaalsContact O-CG 3.24Å; Q421-L425 WeakPolarHBondContact O-CG 3.43Å; Q421-L425 PolarHBondContact O-N 3.38Å
422	S	78.9	Confident	77.4	Confident	67 Å²	67	51.1 Å²	51.1	47%	0.469	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-40.5	178	-58.8	0	0	0	0	110.4	R418 E419 L420 A426	R418-S422 WeakPolarHBondContact O-CB 3.09Å; R418-S422 PolarHBondContact O-N 2.71Å; R418-S422 PolarHBondContact O-OG 2.98Å; E419-S422 WeakPolarHBondContact O-CB 3.26Å; E419-S422 PolarHBondContact O-N 2.85Å; E419-S422 VanDerWaalsContact O-N 3.11Å; L420-S422 VanDerWaalsContact C-N 3.34Å; L420-S422 PolarHBondContact O-N 2.83Å; S422-A426 WeakPolarHBondContact O-CB 3.37Å; S422-A426 PolarHBondContact O-N 2.93Å
423	F	82.7	Confident	76.4	Confident	18 Å²	18	55.4 Å²	55.4	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-50.9	174.4	-179.8	-96.9	0	0	0	112.7	A352 M354 L383 E419 L420 Q421 L425 A426 I427	A352-F423 HydrophobicContact CB-CD2 4Å; A352-F423 HydrophobicContact CB-CE2 3.91Å; M354-F423 HydrophobicContact CB-CE1 3.77Å; M354-F423 HydrophobicContact CB-CZ 3.73Å; M354-F423 HydrophobicContact CG-CE1 4.49Å; L383-F423 HydrophobicContact CD2-CD1 4.43Å; L383-F423 HydrophobicContact CD2-CE1 4.24Å; L383-F423 WeakPolarHBondContact O-CB 3.42Å; L383-F423 VanDerWaalsContact O-CD1 3.27Å; L383-F423 WeakPolarHBondContact O-CD1 3.01Å; L383-F423 WeakPolarHBondContact O-CG 3.42Å; E419-F423 PolarHBondContact O-N 2.02Å; L420-F423 WeakPolarHBondContact O-CB 3.37Å; L420-F423 PolarHBondContact O-N 3.37Å; Q421-F423 PolarHBondContact O-N 3.49Å; F423-L425 VanDerWaalsContact C-N 3.25Å; F423-L425 PolarHBondContact O-N 3.47Å; F423-A426 WeakPolarHBondContact O-CB 3.49Å; F423-A426 PolarHBondContact O-N 2.86Å; F423-I427 HydrophobicContact CD1-CD1 4.43Å; F423-I427 HydrophobicContact CD1-CG2 4.5Å; F423-I427 HydrophobicContact CD2-CG2 4.5Å; F423-I427 HydrophobicContact CE1-CD1 3.94Å; F423-I427 HydrophobicContact CE1-CG2 3.96Å; F423-I427 HydrophobicContact CE2-CG2 3.96Å; F423-I427 HydrophobicContact CZ-CG2 3.65Å; F423-I427 PolarHBondContact O-N 3.45Å
424	L	78.9	Confident	75.5	Confident	17 Å²	17	56.7 Å²	56.7	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-39.1	178.1	-70.5	178.7	0	0	0	112.1	L222 L226 L420 Q421 I427 S428 L438	L222-L424 HydrophobicContact CD1-CB 4.39Å; L226-L424 HydrophobicContact CD1-CD1 4.09Å; L226-L424 HydrophobicContact CD1-CD2 3.78Å; L226-L424 HydrophobicContact CD1-CG 4.47Å; L420-L424 HydrophobicContact CD1-CD1 4.19Å; L420-L424 HydrophobicContact CD1-CG 4.1Å; L420-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 HydrophobicContact CG-CG 4.43Å; L420-L424 VanDerWaalsContact O-CG 3.31Å; L420-L424 WeakPolarHBondContact O-CG 3.29Å; L420-L424 PolarHBondContact O-N 2.83Å; Q421-L424 PolarHBondContact O-N 2.03Å; L424-I427 HydrophobicContact CD2-CD1 4.26Å; L424-I427 VanDerWaalsContact O-CG1 3.31Å; L424-I427 WeakPolarHBondContact O-CG1 3.48Å; L424-S428 VanDerWaalsContact O-CB 3.31Å; L424-S428 WeakPolarHBondContact O-CB 3.43Å; L424-S428 PolarHBondContact O-N 2.92Å; L424-S428 PolarHBondContact O-OG 2.89Å; L424-L438 HydrophobicContact CD2-CD1 3.56Å
425	L	74.3	Confident	75	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-69.6	-37.8	174.7	-72.4	165.7	0	0	0	112.5	F213 F217 L222 Q421 F423 S428 R429	F213-L425 HydrophobicContact CD1-CD1 4.24Å; F213-L425 HydrophobicContact CE1-CD1 3.33Å; F213-L425 HydrophobicContact CZ-CD1 3.97Å; F217-L425 HydrophobicContact CD2-CD1 4.07Å; F217-L425 HydrophobicContact CD2-CD2 4.18Å; F217-L425 HydrophobicContact CE2-CD1 3.77Å; F217-L425 HydrophobicContact CE2-CD2 3.98Å; F217-L425 HydrophobicContact CE2-CG 4Å; L222-L425 HydrophobicContact CD1-CD2 3.96Å; L222-L425 HydrophobicContact CD1-CG 4.32Å; Q421-L425 WeakPolarHBondContact O-CB 2.81Å; Q421-L425 WeakPolarHBondContact O-CD1 3.42Å; Q421-L425 VanDerWaalsContact O-CG 3.24Å; Q421-L425 WeakPolarHBondContact O-CG 3.43Å; Q421-L425 PolarHBondContact O-N 3.38Å; F423-L425 VanDerWaalsContact C-N 3.25Å; F423-L425 PolarHBondContact O-N 3.47Å; L425-S428 PolarHBondContact O-N 3Å; L425-R429 WeakPolarHBondContact O-CG 3.41Å; L425-R429 PolarHBondContact O-N 2.87Å
426	A	74.7	Confident	74.6	Confident	40 Å²	40	65.2 Å²	65.2	33%	0.331	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-50.7	178.5	0	0	0	0	0	110.9	S422 F423 S428 R429 S432	S422-A426 WeakPolarHBondContact O-CB 3.37Å; S422-A426 PolarHBondContact O-N 2.93Å; F423-A426 WeakPolarHBondContact O-CB 3.49Å; F423-A426 PolarHBondContact O-N 2.86Å; A426-S428 PolarHBondContact O-N 3.4Å; A426-R429 WeakPolarHBondContact O-CB 3.3Å; A426-R429 PolarHBondContact O-N 2.87Å; A426-R429 VanDerWaalsContact O-N 3.14Å; A426-S432 WeakPolarHBondContact O-CB 3.42Å
427	I	73.8	Confident	74.3	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-24.1	179.9	66.2	175.4	0	0	0	112.9	F423 L424 R429 I434 N436 L438	F423-I427 HydrophobicContact CD1-CD1 4.43Å; F423-I427 HydrophobicContact CD1-CG2 4.5Å; F423-I427 HydrophobicContact CD2-CG2 4.5Å; F423-I427 HydrophobicContact CE1-CD1 3.94Å; F423-I427 HydrophobicContact CE1-CG2 3.96Å; F423-I427 HydrophobicContact CE2-CG2 3.96Å; F423-I427 HydrophobicContact CZ-CG2 3.65Å; F423-I427 PolarHBondContact O-N 3.45Å; L424-I427 HydrophobicContact CD2-CD1 4.26Å; L424-I427 VanDerWaalsContact O-CG1 3.31Å; L424-I427 WeakPolarHBondContact O-CG1 3.48Å; I427-R429 VanDerWaalsContact C-N 3.3Å; I427-R429 PolarHBondContact O-N 2.85Å; I427-I434 HydrophobicContact CG2-CB 4.47Å; I427-I434 HydrophobicContact CG2-CG2 4.33Å; I427-N436 HydrophobicContact CB-CB 4.41Å; I427-N436 HydrophobicContact CD1-CB 4.39Å; I427-N436 WeakPolarHBondContact CD1-OD1 3.29Å; I427-N436 HydrophobicContact CG1-CB 4.2Å; I427-N436 WeakPolarHBondContact O-CB 3.5Å; I427-N436 PolarHBondContact O-N 3.28Å; I427-L438 HydrophobicContact CD1-CD1 3.94Å; I427-L438 HydrophobicContact CD1-CG 4.35Å
428	S	71.4	Confident	74.1	Confident	48 Å²	48	66.8 Å²	66.8	34%	0.336	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.7	177.5	-61	0	0	0	0	113.5	L222 L424 L425 A426 N436	L222-S428 WeakPolarHBondContact CD2-OG 3.27Å; L424-S428 VanDerWaalsContact O-CB 3.31Å; L424-S428 WeakPolarHBondContact O-CB 3.43Å; L424-S428 PolarHBondContact O-N 2.92Å; L424-S428 PolarHBondContact O-OG 2.89Å; L425-S428 PolarHBondContact O-N 3Å; A426-S428 PolarHBondContact O-N 3.4Å; S428-N436 PolarHBondContact OG-ND2 3.07Å
429	R	72	Confident	73.2	Confident	134 Å²	134	62.6 Å²	62.6	51%	0.506	34%	0.338	S	S	.	.	S	Bend	trans	-74.3	135.7	175.8	-71	171.3	-171.5	-172.7	1.7	110	L425 A426 I427 E431 S432	L425-R429 WeakPolarHBondContact O-CG 3.41Å; L425-R429 PolarHBondContact O-N 2.87Å; A426-R429 WeakPolarHBondContact O-CB 3.3Å; A426-R429 PolarHBondContact O-N 2.87Å; A426-R429 VanDerWaalsContact O-N 3.14Å; I427-R429 VanDerWaalsContact C-N 3.3Å; I427-R429 PolarHBondContact O-N 2.85Å; R429-E431 PolarHBondContact O-N 2.8Å; R429-E431 VanDerWaalsContact O-N 3.13Å; R429-S432 WeakPolarHBondContact O-CB 3.29Å; R429-S432 PolarHBondContact O-N 2.86Å
430	P	64.7	Low	71.9	Confident	125 Å²	125	64.3 Å²	64.3	81%	0.812	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.8	176.9	-22.8	31.3	0	0	0	113.8	S432	P430-S432 VanDerWaalsContact C-N 3.33Å
431	E	67.5	Low	70.2	Confident	190 Å²	190	66.9 Å²	66.9	89%	0.888	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.5	-179.9	-62.5	176.8	-167.5	0	0	113.5	R429 S433	R429-E431 PolarHBondContact O-N 2.8Å; R429-E431 VanDerWaalsContact O-N 3.13Å; E431-S433 PolarHBondContact O-N 2.87Å
432	S	64.3	Low	68.6	Low	32 Å²	32	72.9 Å²	72.9	22%	0.224	40%	0.396	C	S	.	.			trans	-64.7	134.5	179.2	-178.7	0	0	0	0	111.1	A426 R429 P430 I434	A426-S432 WeakPolarHBondContact O-CB 3.42Å; R429-S432 WeakPolarHBondContact O-CB 3.29Å; R429-S432 PolarHBondContact O-N 2.86Å; P430-S432 VanDerWaalsContact C-N 3.33Å; S432-I434 WeakPolarHBondContact CB-O 3.4Å; S432-I434 PolarHBondContact O-N 3.38Å; S432-I434 PolarHBondContact OG-N 3.16Å; S432-I434 PolarHBondContact OG-O 2.01Å
433	S	61.1	Low	66.6	Low	112 Å²	112	75 Å²	75	78%	0.783	41%	0.407	S	S	*	.	S	Bend	trans	-63.5	-30.9	171.9	57.5	0	0	0	0	112	E431	E431-S433 PolarHBondContact O-N 2.87Å
434	I	65.6	Low	64.3	Low	29 Å²	29	78.7 Å²	78.7	15%	0.149	43%	0.433	C	S	.	.	S	Bend	trans	-98.7	110.6	175.2	-56.8	173.8	0	0	0	107.2	C355 I427 S432	C355-I434 HydrophobicContact CB-CG2 3.75Å; I427-I434 HydrophobicContact CG2-CB 4.47Å; I427-I434 HydrophobicContact CG2-CG2 4.33Å; S432-I434 WeakPolarHBondContact CB-O 3.4Å; S432-I434 PolarHBondContact O-N 3.38Å; S432-I434 PolarHBondContact OG-N 3.16Å; S432-I434 PolarHBondContact OG-O 2.01Å
435	R	69.9	Low	62.4	Low	218 Å²	218	88 Å²	88	82%	0.823	47%	0.466	S	S	*	.			trans	-68.5	136.5	173.9	-62	-167.9	-159.1	-129.2	4.4	109.1	C437	R435-C437 PolarHBondContact O-N 3Å
436	N	74.8	Confident	60.2	Low	53 Å²	53	88.9 Å²	88.9	28%	0.283	48%	0.482	S	S	.	.			trans	-60.2	108.3	172.9	-171.5	7	0	0	0	110.5	I427 S428 L438	I427-N436 HydrophobicContact CB-CB 4.41Å; I427-N436 HydrophobicContact CD1-CB 4.39Å; I427-N436 WeakPolarHBondContact CD1-OD1 3.29Å; I427-N436 HydrophobicContact CG1-CB 4.2Å; I427-N436 WeakPolarHBondContact O-CB 3.5Å; I427-N436 PolarHBondContact O-N 3.28Å; S428-N436 PolarHBondContact OG-ND2 3.07Å; N436-L438 WeakPolarHBondContact OD1-CA 3.44Å; N436-L438 WeakPolarHBondContact OD1-CB 3.16Å; N436-L438 PolarHBondContact OD1-N 3.17Å; N436-L438 PolarHBondContact OD1-O 2.9Å
437	C	79.3	Confident	58	Low	32 Å²	32	89.5 Å²	89.5	22%	0.216	48%	0.484	C	S	.	.			trans	-83.7	-21.4	172.4	72	0	0	0	0	112.3	D328 C355 R435 S439	D328-C437 VanDerWaalsContact CB-SG 3.6Å; D328-C437 VanDerWaalsContact CG-SG 3.56Å; D328-C437 WeakPolarHBondContact OD1-CB 3.17Å; D328-C437 PolarHBondContact OD1-SG 2.84Å; D328-C437 VanDerWaalsContact OD1-SG 3.35Å; C355-C437 WeakPolarHBondContact CA-SG 3.21Å; C355-C437 HydrophobicContact CB-CB 3.62Å; C355-C437 WeakPolarHBondContact CB-SG 3.19Å; C355-C437 WeakPolarHBondContact SG-CB 3.31Å; C355-C437 PolarHBondContact SG-N 3.5Å; C355-C437 CovalentContact SG-SG 2.03Å; C355-C437 PolarHBondContact SG-SG 2.75Å; R435-C437 PolarHBondContact O-N 3Å; C437-S439 PolarHBondContact O-N 3.11Å; C437-S439 PolarHBondContact O-OG 3.22Å
438	L	77.9	Confident	56	Low	9 Å²	9	92.2 Å²	92.2	5%	0.047	51%	0.508	C	S	.	.	S	Bend	trans	-67	104.3	-178.4	-49.6	179.5	0	0	0	108.1	L226 L228 M354 L424 I427 N436 P440	L226-L438 HydrophobicContact CB-CB 4.33Å; L226-L438 HydrophobicContact CD1-CD1 4.32Å; L226-L438 HydrophobicContact CD2-CB 4.23Å; L228-L438 HydrophobicContact CB-CD2 4.22Å; L228-L438 HydrophobicContact CD1-CD2 3.39Å; L228-L438 HydrophobicContact CG-CD2 4.4Å; M354-L438 HydrophobicContact CG-CD2 4.39Å; L424-L438 HydrophobicContact CD2-CD1 3.56Å; I427-L438 HydrophobicContact CD1-CD1 3.94Å; I427-L438 HydrophobicContact CD1-CG 4.35Å; N436-L438 WeakPolarHBondContact OD1-CA 3.44Å; N436-L438 WeakPolarHBondContact OD1-CB 3.16Å; N436-L438 PolarHBondContact OD1-N 3.17Å; N436-L438 PolarHBondContact OD1-O 2.9Å; L438-P440 WeakPolarHBondContact O-CD 3.32Å
439	S	62.2	Low	54	Low	57 Å²	57	95.5 Å²	95.5	40%	0.399	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.7	-172.8	-69.2	0	0	0	0	109.7	T227 C437	T227-S439 PolarHBondContact N-O 3.1Å; T227-S439 VanDerWaalsContact N-O 3.13Å; T227-S439 PolarHBondContact O-N 3.24Å; C437-S439 PolarHBondContact O-N 3.11Å; C437-S439 PolarHBondContact O-OG 3.22Å
440	P	56.8	Low	52	Low	68 Å²	68	94 Å²	94	44%	0.442	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	140.4	150.2	-11.6	25.9	0	0	0	106.3	P223 L438 E442	P223-P440 HydrophobicContact CB-CB 4.13Å; P223-P440 HydrophobicContact CG-CB 3.54Å; P223-P440 HydrophobicContact CG-CG 3.75Å; L438-P440 WeakPolarHBondContact O-CD 3.32Å; P440-E442 VanDerWaalsContact C-N 3.29Å; P440-E442 PolarHBondContact O-N 2.97Å
441	V	47.9	Very low	50.7	Low	88 Å²	88	90 Å²	90	53%	0.533	51%	0.514	S	S	.	.			trans	-57.1	95.8	174.1	-180	0	0	0	0	108.8	T443	V441-T443 PolarHBondContact O-N 3.36Å; V441-T443 VanDerWaalsContact O-N 3.16Å
442	E	42.6	Very low	49.3	Very low	162 Å²	162	88.2 Å²	88.2	76%	0.757	50%	0.504	S	S	*	.			trans	-61.5	116.2	163.5	-76.1	-171.5	168.4	0	0	105.4	P440	P440-E442 VanDerWaalsContact C-N 3.29Å; P440-E442 PolarHBondContact O-N 2.97Å
443	T	37.3	Very low	48.6	Very low	113 Å²	113	90.6 Å²	90.6	69%	0.693	51%	0.514	S	S	*	.	S	Bend	trans	23	109.1	162.2	49.4	0	0	0	0	114.8	V441 R445	V441-T443 PolarHBondContact O-N 3.36Å; V441-T443 VanDerWaalsContact O-N 3.16Å; T443-R445 PolarHBondContact O-N 2.72Å
444	P	34	Very low	48.2	Very low	95 Å²	95	89.2 Å²	89.2	62%	0.617	50%	0.497	S	S	*	.			trans	-52.8	105.2	-170	23.4	-32.4	0	0	0	109.8	G446	P444-G446 PolarHBondContact O-N 2.71Å
445	R	38	Very low	48.2	Very low	211 Å²	211	90.4 Å²	90.4	80%	0.796	51%	0.507	S	S	*	.	S	Bend	trans	-68.3	76	155.9	-70.2	-173.7	-172.2	-178	5.3	104.7	I85 T443 S447	I85-R445 WeakPolarHBondContact CD1-O 3.37Å; T443-R445 PolarHBondContact O-N 2.72Å; R445-S447 VanDerWaalsContact C-N 3.33Å; R445-S447 PolarHBondContact O-N 2.82Å
446	G	28.9	Very low	48.4	Very low	45 Å²	45	80.9 Å²	80.9	46%	0.464	47%	0.472	S	S	.	.	S	Bend	trans	74.4	-20	172.9	0	0	0	0	0	119.2	P444 A448	P444-G446 PolarHBondContact O-N 2.71Å; G446-A448 PolarHBondContact O-N 2.85Å
447	S	29	Very low	48.4	Very low	53 Å²	53	78.6 Å²	78.6	37%	0.371	46%	0.46	S	S	.	.			trans	-83	90.6	-171.1	-68.1	0	0	0	0	113.2	D81 R445	D81-S447 WeakPolarHBondContact OD1-CA 3.47Å; D81-S447 VanDerWaalsContact OD1-CB 3.29Å; D81-S447 WeakPolarHBondContact OD1-CB 3.2Å; D81-S447 PolarHBondContact OD1-OG 2.81Å; R445-S447 VanDerWaalsContact C-N 3.33Å; R445-S447 PolarHBondContact O-N 2.82Å
448	A	30.9	Very low	48.5	Very low	63 Å²	63	77 Å²	77	52%	0.521	45%	0.45	S	S	.	.			trans	-93.9	132.8	177.6	0	0	0	0	0	111.3	G446	G446-A448 PolarHBondContact O-N 2.85Å
449	V	29.8	Very low	48.6	Very low	116 Å²	116	77.8 Å²	77.8	70%	0.703	45%	0.453	S	S	*	.	S	Bend	trans	85.8	132.4	159.3	-165.1	0	0	0	0	117.2
450	P	29.8	Very low	49.1	Very low	102 Å²	102	80 Å²	80	66%	0.662	45%	0.453	S	S	*	.			trans	-58.3	137.1	179.3	-21.9	32.4	0	0	0	112.7	K452	P450-K452 PolarHBondContact O-N 3.21Å
451	G	38.1	Very low	50.2	Low	42 Å²	42	77.5 Å²	77.5	43%	0.433	43%	0.434	S	S	.	.			trans	-63.6	60	179.1	0	0	0	0	0	115	N453	G451-N453 VanDerWaalsContact C-N 3.27Å; G451-N453 PolarHBondContact O-N 2.94Å
452	K	36.5	Very low	51.9	Low	153 Å²	153	73.6 Å²	73.6	67%	0.665	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14	-176.7	-109.3	-176.7	175.6	-179.9	0	113.7	P450	P450-K452 PolarHBondContact O-N 3.21Å
453	N	49.4	Very low	54	Low	81 Å²	81	66.4 Å²	66.4	43%	0.433	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	8.2	-170.4	-65.3	-7.8	0	0	0	115.7	G451	G451-N453 VanDerWaalsContact C-N 3.27Å; G451-N453 PolarHBondContact O-N 2.94Å
454	L	52.6	Low	56.2	Low	83 Å²	83	63.9 Å²	63.9	44%	0.435	36%	0.361	S	S	.	.	S	Bend	trans	-71.6	136	163.7	-93	105.5	0	0	0	109.1	L82 L456	L82-L454 HydrophobicContact CB-CD1 4.35Å; L82-L454 HydrophobicContact CD2-CD2 3.8Å; L454-L456 PolarHBondContact O-N 3.19Å
455	P	66.7	Low	58.5	Low	54 Å²	54	62 Å²	62	35%	0.351	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-54.8	130.6	173.8	-21.2	30.4	0	0	0	109.6	Q459	P455-Q459 VanDerWaalsContact CA-OE1 3.22Å; P455-Q459 HydrophobicContact CB-CB 4.05Å
456	L	73.6	Confident	60.8	Low	19 Å²	19	52.2 Å²	52.2	10%	0.099	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-64.1	156.1	175.2	-66.4	171.1	0	0	0	109.9	K267 L454 G458 Q459 R460 E509 W527	K267-L456 HydrophobicContact CD-CD2 3.99Å; K267-L456 VanDerWaalsContact CE-CD2 3.44Å; K267-L456 HydrophobicContact CG-CD2 4.13Å; L454-L456 PolarHBondContact O-N 3.19Å; L456-G458 PolarHBondContact O-N 2.95Å; L456-G458 VanDerWaalsContact O-N 3.1Å; L456-Q459 HydrophobicContact CB-CG 4.2Å; L456-Q459 WeakPolarHBondContact O-CA 3.49Å; L456-Q459 WeakPolarHBondContact O-CB 3.15Å; L456-Q459 PolarHBondContact O-N 3.48Å; L456-R460 PolarHBondContact O-N 2.04Å; L456-R460 VanDerWaalsContact O-N 3.08Å; L456-E509 WeakPolarHBondContact CB-O 3.27Å; L456-W527 HydrophobicContact CD1-CH2 3.29Å; L456-W527 HydrophobicContact CD1-CZ2 3.62Å; L456-W527 HydrophobicContact CD1-CZ3 4.43Å
457	P	75.2	Confident	63.2	Low	4 Å²	4	50 Å²	50	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-51.5	-38.5	-178.6	-28	35.7	0	0	0	113.3	N263 N264 Q459 R460 Y461 L508	N263-P457 HydrophobicContact CB-CG 3.88Å; N264-P457 HydrophobicContact CB-CB 4.25Å; N264-P457 HydrophobicContact CB-CG 3.82Å; P457-Q459 VanDerWaalsContact C-N 3.31Å; P457-Q459 PolarHBondContact O-N 2.85Å; P457-R460 PolarHBondContact O-N 3.38Å; P457-R460 VanDerWaalsContact O-N 3.14Å; P457-Y461 PolarHBondContact O-N 2.81Å; P457-L508 HydrophobicContact CB-CB 4.25Å; P457-L508 HydrophobicContact CB-CD1 3.96Å
458	G	81.2	Confident	65.5	Low	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-74.3	-13.8	176.1	0	0	0	0	0	115.7	L456 Y461 E509 G510 T511	L456-G458 PolarHBondContact O-N 2.95Å; L456-G458 VanDerWaalsContact O-N 3.1Å; G458-Y461 CarbonylContact C-O 3.58Å; G458-Y461 VanDerWaalsContact O-O 3.06Å; G458-E509 WeakPolarHBondContact CA-O 3.48Å; G458-E509 PolarHBondContact N-O 3.49Å; G458-G510 CarbonylContact C-O 3.53Å; G458-T511 WeakPolarHBondContact CA-OG1 3.24Å; G458-T511 WeakPolarHBondContact O-CA 3.19Å; G458-T511 PolarHBondContact O-OG1 3.41Å
459	Q	79.6	Confident	67.6	Low	24 Å²	24	48.9 Å²	48.9	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-88.1	-20	168.5	-59.5	173.6	-11.2	0	0	111.3	P455 L456 P457 G510 P533 N575	P455-Q459 VanDerWaalsContact CA-OE1 3.22Å; P455-Q459 HydrophobicContact CB-CB 4.05Å; L456-Q459 HydrophobicContact CB-CG 4.2Å; L456-Q459 WeakPolarHBondContact O-CA 3.49Å; L456-Q459 WeakPolarHBondContact O-CB 3.15Å; L456-Q459 PolarHBondContact O-N 3.48Å; P457-Q459 VanDerWaalsContact C-N 3.31Å; P457-Q459 PolarHBondContact O-N 2.85Å; Q459-G510 WeakPolarHBondContact CG-O 3.46Å; Q459-G510 PolarHBondContact N-O 2.91Å; Q459-P533 VanDerWaalsContact CD-CG 3.5Å; Q459-P533 HydrophobicContact CG-CG 4.17Å; Q459-N575 PolarHBondContact O-ND2 3.27Å
460	R	74.3	Confident	69.5	Low	104 Å²	104	45 Å²	45	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-88.1	-40.1	175.5	-170.3	172.9	-167.3	-179	7.2	112	D256 L456 P457	D256-R460 IonicContact OD1-CZ 2.92Å; D256-R460 VanDerWaalsContact OD1-CZ 3.27Å; D256-R460 IonicContact OD1-NH1 2.81Å; D256-R460 PolarHBondContact OD1-NH1 3.45Å; D256-R460 VanDerWaalsContact OD1-NH1 3.08Å; D256-R460 IonicContact OD1-NH2 3.76Å; D256-R460 PolarHBondContact OD1-NH2 3.42Å; D256-R460 IonicContact OD2-CZ 3.15Å; D256-R460 IonicContact OD2-NH2 2.67Å; D256-R460 PolarHBondContact OD2-NH2 3.43Å; L456-R460 PolarHBondContact O-N 2.04Å; L456-R460 VanDerWaalsContact O-N 3.08Å; P457-R460 PolarHBondContact O-N 3.38Å; P457-R460 VanDerWaalsContact O-N 3.14Å
461	Y	78.3	Confident	71.3	Confident	15 Å²	15	45.1 Å²	45.1	6%	0.059	22%	0.224	C	C	.	.	S	Bend	trans	-112.2	114.4	175.6	-63.6	-90.1	0	0	0	109.7	S260 L369 P457 G458 E465 Q466 F469	S260-Y461 WeakPolarHBondContact OG-CE2 3.36Å; L369-Y461 HydrophobicContact CD1-CD1 3.75Å; L369-Y461 HydrophobicContact CD1-CD2 4.15Å; L369-Y461 HydrophobicContact CD1-CE1 4.3Å; L369-Y461 HydrophobicContact CD1-CG 3.65Å; L369-Y461 HydrophobicContact CD2-CD2 4.47Å; L369-Y461 HydrophobicContact CD2-CE2 4.41Å; P457-Y461 PolarHBondContact O-N 2.81Å; G458-Y461 CarbonylContact C-O 3.58Å; G458-Y461 VanDerWaalsContact O-O 3.06Å; Y461-E465 WeakPolarHBondContact CA-OE2 3.11Å; Y461-E465 HydrophobicContact CD1-CB 4.45Å; Y461-Q466 PolarHBondContact O-NE2 2.89Å; Y461-F469 HydrophobicContact CD1-CD2 4.34Å; Y461-F469 AromaticContact CD1-CE2 3.85Å; Y461-F469 HydrophobicContact CD1-CE2 3.85Å; Y461-F469 HydrophobicContact CE1-CD2 4.47Å; Y461-F469 AromaticContact CE1-CE2 3.63Å; Y461-F469 HydrophobicContact CE1-CE2 3.63Å; Y461-F469 HydrophobicContact CE1-CZ 4.05Å
462	T	85.1	Confident	72.8	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.043	22%	0.219	C	C	.	.			trans	-58.1	159.8	173.1	61	0	0	0	0	111	D464 E465 Q466 P573 P574 N575	T462-D464 PolarHBondContact O-N 2.85Å; T462-E465 WeakPolarHBondContact CB-OE2 3.22Å; T462-E465 WeakPolarHBondContact CG2-OE2 3.41Å; T462-E465 PolarHBondContact N-OE2 2.77Å; T462-E465 PolarHBondContact O-N 2.68Å; T462-E465 WeakPolarHBondContact OG1-CB 3.33Å; T462-E465 VanDerWaalsContact OG1-CD 3.3Å; T462-E465 VanDerWaalsContact OG1-CG 3.23Å; T462-E465 WeakPolarHBondContact OG1-CG 3.45Å; T462-E465 PolarHBondContact OG1-N 3.44Å; T462-E465 VanDerWaalsContact OG1-N 3.13Å; T462-E465 PolarHBondContact OG1-OE2 3.4Å; T462-Q466 WeakPolarHBondContact O-CG 3.04Å; T462-Q466 PolarHBondContact O-N 3.01Å; T462-P573 HydrophobicContact CG2-CB 4.49Å; T462-P574 VanDerWaalsContact CG2-O 3.24Å; T462-P574 WeakPolarHBondContact CG2-O 2.97Å; T462-N575 HydrophobicContact CG2-CB 3.72Å
463	A	85.8	Confident	74.4	Confident	10 Å²	10	44 Å²	44	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-33.8	174.9	0	0	0	0	0	112.1	Q466 C467 H477 L492 T511	A463-Q466 PolarHBondContact O-N 2.89Å; A463-C467 PolarHBondContact O-N 2.61Å; A463-H477 HydrophobicContact CB-CB 3.89Å; A463-L492 HydrophobicContact CB-CD1 4.07Å; A463-T511 HydrophobicContact CB-CG2 4.11Å
464	D	83.9	Confident	75.3	Confident	60 Å²	60	42.8 Å²	42.8	32%	0.321	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-47.3	175.1	-68.8	-38.1	0	0	0	111.8	T462 Q466 C467 E468 G476 H477	T462-D464 PolarHBondContact O-N 2.85Å; D464-Q466 VanDerWaalsContact C-N 3.3Å; D464-Q466 PolarHBondContact O-N 2.99Å; D464-C467 WeakPolarHBondContact O-CB 2.98Å; D464-C467 PolarHBondContact O-N 2.79Å; D464-C467 VanDerWaalsContact O-N 3.14Å; D464-E468 WeakPolarHBondContact O-CB 3.32Å; D464-E468 PolarHBondContact O-N 3.22Å; D464-G476 VanDerWaalsContact OD1-CA 3.25Å; D464-G476 WeakPolarHBondContact OD1-CA 3.14Å; D464-H477 IonicContact OD1-CE1 2.9Å; D464-H477 IonicContact OD1-CG 3.8Å; D464-H477 PolarHBondContact OD1-N 2.86Å; D464-H477 IonicContact OD1-ND1 2.75Å; D464-H477 PolarHBondContact OD1-ND1 2.88Å; D464-H477 IonicContact OD2-CE1 3.3Å; D464-H477 IonicContact OD2-ND1 2.63Å
465	E	81.2	Confident	76.3	Confident	57 Å²	57	41.2 Å²	41.2	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-39.8	175.7	-73.2	163.3	143.4	0	0	111.2	Y461 T462 C467 E468 F469	Y461-E465 WeakPolarHBondContact CA-OE2 3.11Å; Y461-E465 HydrophobicContact CD1-CB 4.45Å; T462-E465 WeakPolarHBondContact CB-OE2 3.22Å; T462-E465 WeakPolarHBondContact CG2-OE2 3.41Å; T462-E465 PolarHBondContact N-OE2 2.77Å; T462-E465 PolarHBondContact O-N 2.68Å; T462-E465 WeakPolarHBondContact OG1-CB 3.33Å; T462-E465 VanDerWaalsContact OG1-CD 3.3Å; T462-E465 VanDerWaalsContact OG1-CG 3.23Å; T462-E465 WeakPolarHBondContact OG1-CG 3.45Å; T462-E465 PolarHBondContact OG1-N 3.44Å; T462-E465 VanDerWaalsContact OG1-N 3.13Å; T462-E465 PolarHBondContact OG1-OE2 3.4Å; E465-C467 VanDerWaalsContact C-N 3.34Å; E465-C467 PolarHBondContact O-N 2.74Å; E465-E468 WeakPolarHBondContact O-CB 3.4Å; E465-E468 PolarHBondContact O-N 2.65Å; E465-F469 VanDerWaalsContact O-CD2 3.29Å; E465-F469 WeakPolarHBondContact O-CD2 3Å; E465-F469 PolarHBondContact O-N 3.24Å
466	Q	86.3	Confident	76.9	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-47.5	172.8	-70.2	173.2	54.8	0	0	111.1	L369 Y461 T462 A463 D464 E468 F469 F470 L492 L508 T511	L369-Q466 HydrophobicContact CD1-CG 3.99Å; Y461-Q466 PolarHBondContact O-NE2 2.89Å; T462-Q466 WeakPolarHBondContact O-CG 3.04Å; T462-Q466 PolarHBondContact O-N 3.01Å; A463-Q466 PolarHBondContact O-N 2.89Å; D464-Q466 VanDerWaalsContact C-N 3.3Å; D464-Q466 PolarHBondContact O-N 2.99Å; Q466-E468 VanDerWaalsContact C-N 3.32Å; Q466-E468 PolarHBondContact O-N 2.86Å; Q466-F469 PolarHBondContact O-N 3.38Å; Q466-F470 WeakPolarHBondContact O-CD2 3.26Å; Q466-F470 PolarHBondContact O-N 3.38Å; Q466-F470 VanDerWaalsContact O-N 3.15Å; Q466-L492 HydrophobicContact CB-CD2 3.62Å; Q466-L508 HydrophobicContact CG-CD1 3.99Å; Q466-L508 HydrophobicContact CG-CG 4.28Å; Q466-T511 PolarHBondContact NE2-OG1 3.13Å
467	C	80.4	Confident	77.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-38.8	174.8	-78.4	0	0	0	0	113.3	A463 D464 E465 F470 W471 C494	A463-C467 PolarHBondContact O-N 2.61Å; D464-C467 WeakPolarHBondContact O-CB 2.98Å; D464-C467 PolarHBondContact O-N 2.79Å; D464-C467 VanDerWaalsContact O-N 3.14Å; E465-C467 VanDerWaalsContact C-N 3.34Å; E465-C467 PolarHBondContact O-N 2.74Å; C467-F470 PolarHBondContact O-N 2.9Å; C467-W471 PolarHBondContact O-N 3.23Å; C467-C494 WeakPolarHBondContact CA-SG 3.5Å; C467-C494 HydrophobicContact CB-CB 3.64Å; C467-C494 WeakPolarHBondContact CB-SG 3.41Å; C467-C494 WeakPolarHBondContact SG-CA 3.41Å; C467-C494 WeakPolarHBondContact SG-CB 3.31Å; C467-C494 CovalentContact SG-SG 2.04Å; C467-C494 PolarHBondContact SG-SG 3Å
468	E	76.9	Confident	77.7	Confident	56 Å²	56	44 Å²	44	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-66.1	-39.2	177.9	-158.1	-167.3	110.5	0	0	112.1	D464 E465 Q466 F470 G472 K473	D464-E468 WeakPolarHBondContact O-CB 3.32Å; D464-E468 PolarHBondContact O-N 3.22Å; E465-E468 WeakPolarHBondContact O-CB 3.4Å; E465-E468 PolarHBondContact O-N 2.65Å; Q466-E468 VanDerWaalsContact C-N 3.32Å; Q466-E468 PolarHBondContact O-N 2.86Å; E468-F470 VanDerWaalsContact C-N 3.31Å; E468-F470 PolarHBondContact O-N 2.79Å; E468-G472 WeakPolarHBondContact CA-O 3.36Å; E468-G472 WeakPolarHBondContact CG-O 3.49Å; E468-G472 CarbonylContact O-C 3.54Å; E468-G472 WeakPolarHBondContact O-CA 3.07Å; E468-G472 PolarHBondContact O-N 2.94Å; E468-K473 HydrophobicContact CG-CD 4.33Å; E468-K473 WeakPolarHBondContact OE1-CD 3.46Å; E468-K473 WeakPolarHBondContact OE1-CE 3.32Å; E468-K473 IonicContact OE1-NZ 3.27Å; E468-K473 PolarHBondContact OE1-NZ 3.32Å; E468-K473 IonicContact OE2-NZ 3.7Å
469	F	74.1	Confident	77.6	Confident	36 Å²	36	47 Å²	47	16%	0.158	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-33.1	173.6	-92.1	-82.3	0	0	0	112.4	F242 Y246 Y257 H368 L369 Y461 E465 Q466	F242-F469 HydrophobicContact CZ-CE1 4.42Å; Y246-F469 VanDerWaalsContact OH-CZ 3.29Å; Y246-F469 WeakPolarHBondContact OH-CZ 3.33Å; Y257-F469 HydrophobicContact CD2-CD1 4.44Å; Y257-F469 HydrophobicContact CD2-CE1 4.01Å; Y257-F469 HydrophobicContact CE2-CD1 4.3Å; Y257-F469 HydrophobicContact CE2-CE1 4.31Å; H368-F469 WeakPolarHBondContact CB-O 3.08Å; L369-F469 HydrophobicContact CD1-CB 4.42Å; L369-F469 HydrophobicContact CD1-CD2 3.93Å; L369-F469 HydrophobicContact CD1-CE2 4.47Å; L369-F469 HydrophobicContact CD1-CG 4.21Å; L369-F469 HydrophobicContact CG-CB 4.48Å; L369-F469 HydrophobicContact CG-CD2 4.49Å; L369-F469 HydrophobicContact CG-CG 4.33Å; Y461-F469 HydrophobicContact CD1-CD2 4.34Å; Y461-F469 AromaticContact CD1-CE2 3.85Å; Y461-F469 HydrophobicContact CD1-CE2 3.85Å; Y461-F469 HydrophobicContact CE1-CD2 4.47Å; Y461-F469 AromaticContact CE1-CE2 3.63Å; Y461-F469 HydrophobicContact CE1-CE2 3.63Å; Y461-F469 HydrophobicContact CE1-CZ 4.05Å; E465-F469 VanDerWaalsContact O-CD2 3.29Å; E465-F469 WeakPolarHBondContact O-CD2 3Å; E465-F469 PolarHBondContact O-N 3.24Å; Q466-F469 PolarHBondContact O-N 3.38Å
470	F	70.7	Confident	77.3	Confident	35 Å²	35	47.3 Å²	47.3	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-76.7	-49.7	178.8	-95.1	-85.1	0	0	0	113.1	H368 Q466 C467 E468 S503 H505	H368-F470 HydrophobicContact CB-CD1 4.19Å; H368-F470 HydrophobicContact CB-CD2 4.36Å; H368-F470 HydrophobicContact CB-CG 4.14Å; H368-F470 AromaticContact CD2-CD1 3.67Å; H368-F470 AromaticContact CD2-CE1 3.72Å; H368-F470 AromaticContact CE1-CD1 3.93Å; H368-F470 AromaticContact CE1-CE1 3.18Å; H368-F470 WeakPolarHBondContact CE1-CE1 3.34Å; H368-F470 AromaticContact CE1-CZ 3.54Å; H368-F470 AromaticContact CG-CD1 3.65Å; H368-F470 AromaticContact CG-CE1 3.63Å; H368-F470 AromaticContact ND1-CD1 3.81Å; H368-F470 AromaticContact ND1-CE1 3.29Å; H368-F470 VanDerWaalsContact ND1-CE1 3.29Å; H368-F470 WeakPolarHBondContact ND1-CE1 3.2Å; H368-F470 AromaticContact ND1-CE2 3.93Å; H368-F470 AromaticContact ND1-CZ 3.38Å; H368-F470 WeakPolarHBondContact ND1-CZ 3.26Å; H368-F470 AromaticContact NE2-CD1 3.85Å; H368-F470 AromaticContact NE2-CE1 3.45Å; H368-F470 WeakPolarHBondContact NE2-CE1 3.49Å; Q466-F470 WeakPolarHBondContact O-CD2 3.26Å; Q466-F470 PolarHBondContact O-N 3.38Å; Q466-F470 VanDerWaalsContact O-N 3.15Å; C467-F470 PolarHBondContact O-N 2.9Å; E468-F470 VanDerWaalsContact C-N 3.31Å; E468-F470 PolarHBondContact O-N 2.79Å; F470-S503 WeakPolarHBondContact CE1-O 3.4Å; F470-H505 HydrophobicContact CZ-CB 4.34Å
471	W	67.8	Low	77.2	Confident	103 Å²	103	51.9 Å²	51.9	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-114.2	-3.8	-166.6	-59.5	111.9	0	0	0	114	C467 Y475 C494 I501 S502	C467-W471 PolarHBondContact O-N 3.23Å; W471-Y475 HydrophobicContact CB-CD1 3.75Å; W471-Y475 HydrophobicContact CB-CD2 3.51Å; W471-Y475 HydrophobicContact CB-CE1 4.02Å; W471-Y475 HydrophobicContact CB-CE2 3.77Å; W471-Y475 HydrophobicContact CB-CG 3.48Å; W471-Y475 VanDerWaalsContact CB-CG 3.48Å; W471-Y475 HydrophobicContact CG-CD1 4.22Å; W471-Y475 HydrophobicContact CG-CE1 4.44Å; W471-Y475 HydrophobicContact CG-CG 4.36Å; W471-Y475 WeakPolarHBondContact O-CD2 3.22Å; W471-Y475 VanDerWaalsContact O-CE2 3.3Å; W471-Y475 WeakPolarHBondContact O-CE2 3.42Å; W471-C494 VanDerWaalsContact CD1-CB 3.45Å; W471-I501 HydrophobicContact CH2-CG2 3.8Å; W471-I501 HydrophobicContact CZ2-CB 4.43Å; W471-I501 HydrophobicContact CZ2-CG2 3.46Å; W471-I501 VanDerWaalsContact CZ2-CG2 3.46Å; W471-I501 HydrophobicContact CZ3-CG2 4.49Å; W471-S502 WeakPolarHBondContact CZ2-O 3.19Å
472	G	69.2	Low	77	Confident	32 Å²	32	55.4 Å²	55.4	33%	0.33	31%	0.31	S	S	.	.			trans	93.8	-179.8	-179.1	0	0	0	0	0	114.2	E468 G474 Y475	E468-G472 WeakPolarHBondContact CA-O 3.36Å; E468-G472 WeakPolarHBondContact CG-O 3.49Å; E468-G472 CarbonylContact O-C 3.54Å; E468-G472 WeakPolarHBondContact O-CA 3.07Å; E468-G472 PolarHBondContact O-N 2.94Å; G472-G474 PolarHBondContact O-N 3.33Å; G472-Y475 PolarHBondContact O-N 3.1Å
473	K	70	Confident	76.7	Confident	139 Å²	139	60.6 Å²	60.6	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	131.2	-175.9	-70.6	-80	172.2	-166.1	0	112.2	E468	E468-K473 HydrophobicContact CG-CD 4.33Å; E468-K473 WeakPolarHBondContact OE1-CD 3.46Å; E468-K473 WeakPolarHBondContact OE1-CE 3.32Å; E468-K473 IonicContact OE1-NZ 3.27Å; E468-K473 PolarHBondContact OE1-NZ 3.32Å; E468-K473 IonicContact OE2-NZ 3.7Å
474	G	67.6	Low	76.5	Confident	56 Å²	56	62.8 Å²	62.8	58%	0.577	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-2.4	175.3	0	0	0	0	0	115.2	G472 N496	G472-G474 PolarHBondContact O-N 3.33Å; G474-N496 WeakPolarHBondContact O-CA 3.42Å; G474-N496 WeakPolarHBondContact O-CB 3.49Å
475	Y	74.5	Confident	76.5	Confident	51 Å²	51	64 Å²	64	20%	0.2	35%	0.347	C	S	.	.			trans	-86	132.2	165.8	-74	-95.8	0	0	0	110.2	W471 G472 S495 N496 I501	W471-Y475 HydrophobicContact CB-CD1 3.75Å; W471-Y475 HydrophobicContact CB-CD2 3.51Å; W471-Y475 HydrophobicContact CB-CE1 4.02Å; W471-Y475 HydrophobicContact CB-CE2 3.77Å; W471-Y475 HydrophobicContact CB-CG 3.48Å; W471-Y475 VanDerWaalsContact CB-CG 3.48Å; W471-Y475 HydrophobicContact CG-CD1 4.22Å; W471-Y475 HydrophobicContact CG-CE1 4.44Å; W471-Y475 HydrophobicContact CG-CG 4.36Å; W471-Y475 WeakPolarHBondContact O-CD2 3.22Å; W471-Y475 VanDerWaalsContact O-CE2 3.3Å; W471-Y475 WeakPolarHBondContact O-CE2 3.42Å; G472-Y475 PolarHBondContact O-N 3.1Å; Y475-S495 WeakPolarHBondContact CA-O 3.09Å; Y475-N496 HydrophobicContact CD1-CB 3.96Å; Y475-N496 HydrophobicContact CD2-CB 4.23Å; Y475-N496 HydrophobicContact CE1-CB 3.96Å; Y475-N496 HydrophobicContact CE2-CB 4.26Å; Y475-N496 HydrophobicContact CG-CB 4.1Å; Y475-N496 VanDerWaalsContact CZ-ND2 3.27Å; Y475-N496 PolarHBondContact OH-ND2 3.41Å; Y475-I501 HydrophobicContact CE1-CD1 4.28Å
476	G	79.5	Confident	76.7	Confident	18 Å²	18	63.1 Å²	63.1	19%	0.186	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	169	169.4	0	0	0	0	0	110.3	D464 C494 S495	D464-G476 VanDerWaalsContact OD1-CA 3.25Å; D464-G476 WeakPolarHBondContact OD1-CA 3.14Å; G476-C494 CarbonylContact O-C 3.53Å; G476-C494 VanDerWaalsContact O-CA 3.31Å; G476-C494 WeakPolarHBondContact O-CA 3.03Å; G476-S495 PolarHBondContact N-O 3.35Å; G476-S495 PolarHBondContact O-N 2.01Å
477	H	85.2	Confident	76.7	Confident	40 Å²	40	65.2 Å²	65.2	19%	0.185	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	142.1	174.2	83.7	-69.2	0	0	0	110.6	A463 D464 R485 L492 W493	A463-H477 HydrophobicContact CB-CB 3.89Å; D464-H477 IonicContact OD1-CE1 2.9Å; D464-H477 IonicContact OD1-CG 3.8Å; D464-H477 PolarHBondContact OD1-N 2.86Å; D464-H477 IonicContact OD1-ND1 2.75Å; D464-H477 PolarHBondContact OD1-ND1 2.88Å; D464-H477 IonicContact OD2-CE1 3.3Å; D464-H477 IonicContact OD2-ND1 2.63Å; H477-R485 PolarHBondContact CE1-NH2 3.47Å; H477-R485 PolarHBondContact NE2-NH2 2.94Å; H477-L492 HydrophobicContact CB-CD1 4.18Å; H477-W493 VanDerWaalsContact CA-O 3.3Å; H477-W493 WeakPolarHBondContact CA-O 3Å
478	E	80.1	Confident	77.1	Confident	76 Å²	76	65.4 Å²	65.4	36%	0.355	36%	0.361	S	S	.	.			trans	-135.6	143.8	175.5	-179.7	170.8	-135.4	0	0	109.1	W493 S495 T500	E478-W493 PolarHBondContact N-O 3.06Å; E478-W493 VanDerWaalsContact O-CB 3.26Å; E478-W493 WeakPolarHBondContact O-CB 3.46Å; E478-S495 WeakPolarHBondContact OE2-CB 3.18Å; E478-S495 PolarHBondContact OE2-OG 2.8Å; E478-T500 HydrophobicContact CB-CG2 4.28Å; E478-T500 HydrophobicContact CG-CG2 4.42Å; E478-T500 PolarHBondContact OE2-OG1 2.51Å
479	I	80	Confident	77.6	Confident	64 Å²	64	62.8 Å²	62.8	33%	0.328	35%	0.349	S	S	.	.			trans	-103.6	112.3	176	-56.4	166.5	0	0	0	107.2	K483 R485	I479-K483 HydrophobicContact CG2-CB 4.21Å; I479-K483 VanDerWaalsContact CG2-O 3.25Å; I479-K483 WeakPolarHBondContact CG2-O 2.99Å; I479-R485 HydrophobicContact CD1-CB 3.57Å; I479-R485 HydrophobicContact CD1-CG 3.67Å
480	P	72.7	Confident	78.1	Confident	30 Å²	30	67.6 Å²	67.6	20%	0.195	37%	0.367	C	S	.	.			trans	-57.5	153.2	177.5	-22.9	31.5	0	0	0	113	G482 K483 W493 T500	P480-G482 PolarHBondContact O-N 3.48Å; P480-K483 HydrophobicContact CB-CB 4.34Å; P480-K483 HydrophobicContact CB-CG 4.07Å; P480-K483 HydrophobicContact CG-CG 4.38Å; P480-K483 WeakPolarHBondContact O-CB 3.4Å; P480-K483 PolarHBondContact O-N 3.19Å; P480-W493 HydrophobicContact CG-CB 4.36Å; P480-W493 HydrophobicContact CG-CD2 3.8Å; P480-W493 HydrophobicContact CG-CE3 4.1Å; P480-W493 HydrophobicContact CG-CG 3.92Å; P480-T500 HydrophobicContact CG-CG2 4.25Å
481	E	71.8	Confident	78.6	Confident	200 Å²	200	66.6 Å²	66.6	94%	0.935	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	133.5	174.6	-72.9	-173.1	172.4	0	0	111.3	K483	E481-K483 PolarHBondContact O-N 3.25Å
482	G	73.7	Confident	79.3	Confident	89 Å²	89	61.7 Å²	61.7	92%	0.918	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-5.9	-175.9	0	0	0	0	0	115.1	P480	P480-G482 PolarHBondContact O-N 3.48Å
483	K	78.4	Confident	80	Confident	117 Å²	117	64 Å²	64	51%	0.509	34%	0.344	S	S	.	.			trans	-98.4	156.5	173.4	-62.7	-60.4	-179.3	-176.9	0	111.6	I479 P480 E481 D487	I479-K483 HydrophobicContact CG2-CB 4.21Å; I479-K483 VanDerWaalsContact CG2-O 3.25Å; I479-K483 WeakPolarHBondContact CG2-O 2.99Å; P480-K483 HydrophobicContact CB-CB 4.34Å; P480-K483 HydrophobicContact CB-CG 4.07Å; P480-K483 HydrophobicContact CG-CG 4.38Å; P480-K483 WeakPolarHBondContact O-CB 3.4Å; P480-K483 PolarHBondContact O-N 3.19Å; E481-K483 PolarHBondContact O-N 3.25Å; K483-D487 WeakPolarHBondContact CA-OD2 3.37Å; K483-D487 VanDerWaalsContact CB-OD2 3.31Å; K483-D487 WeakPolarHBondContact CB-OD2 3.25Å; K483-D487 WeakPolarHBondContact CD-OD2 3.46Å
484	S	83	Confident	80.5	Confident	55 Å²	55	57.3 Å²	57.3	39%	0.385	32%	0.315	S	S	.	.			trans	-103.8	160.9	-179.9	85	0	0	0	0	110.9	A486 D487	S484-A486 PolarHBondContact O-N 2.93Å; S484-A486 WeakPolarHBondContact OG-CB 3.47Å; S484-A486 PolarHBondContact OG-N 3.21Å; S484-D487 PolarHBondContact N-OD2 3.22Å; S484-D487 WeakPolarHBondContact O-CB 3.27Å; S484-D487 PolarHBondContact O-N 3.27Å; S484-D487 VanDerWaalsContact O-N 3.1Å; S484-D487 PolarHBondContact OG-OD1 2.83Å
485	R	83.7	Confident	80.9	Confident	86 Å²	86	55.2 Å²	55.2	33%	0.325	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.9	173.1	-161.5	161.2	-173.1	148	1.2	113	H477 I479 D487 I488 C513	H477-R485 PolarHBondContact CE1-NH2 3.47Å; H477-R485 PolarHBondContact NE2-NH2 2.94Å; I479-R485 HydrophobicContact CD1-CB 3.57Å; I479-R485 HydrophobicContact CD1-CG 3.67Å; R485-D487 PolarHBondContact O-N 3.34Å; R485-I488 HydrophobicContact CG-CD1 4.44Å; R485-I488 VanDerWaalsContact O-CG1 3.28Å; R485-I488 WeakPolarHBondContact O-CG1 3.31Å; R485-I488 PolarHBondContact O-N 2.77Å; R485-C513 CarbonylContact C-O 3.58Å; R485-C513 WeakPolarHBondContact CB-O 3.11Å; R485-C513 WeakPolarHBondContact CG-O 3.49Å
486	A	86	Confident	80.8	Confident	38 Å²	38	55.9 Å²	55.9	31%	0.314	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-65.3	-25.7	174.4	0	0	0	0	0	112.2	S484 I488 C489 C524	S484-A486 PolarHBondContact O-N 2.93Å; S484-A486 WeakPolarHBondContact OG-CB 3.47Å; S484-A486 PolarHBondContact OG-N 3.21Å; A486-I488 PolarHBondContact O-N 2.96Å; A486-C489 PolarHBondContact O-N 3.09Å; A486-C524 HydrophobicContact CB-CB 3.5Å
487	D	85.7	Confident	79.8	Confident	49 Å²	49	56.8 Å²	56.8	26%	0.262	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-69.9	-16.6	-175.4	-56.1	-14.7	0	0	0	112.3	K483 S484 R485 C489 Y490 V491	K483-D487 WeakPolarHBondContact CA-OD2 3.37Å; K483-D487 VanDerWaalsContact CB-OD2 3.31Å; K483-D487 WeakPolarHBondContact CB-OD2 3.25Å; K483-D487 WeakPolarHBondContact CD-OD2 3.46Å; S484-D487 PolarHBondContact N-OD2 3.22Å; S484-D487 WeakPolarHBondContact O-CB 3.27Å; S484-D487 PolarHBondContact O-N 3.27Å; S484-D487 VanDerWaalsContact O-N 3.1Å; S484-D487 PolarHBondContact OG-OD1 2.83Å; R485-D487 PolarHBondContact O-N 3.34Å; D487-C489 PolarHBondContact O-N 2.88Å; D487-Y490 WeakPolarHBondContact O-CA 3.38Å; D487-Y490 WeakPolarHBondContact O-CB 3.25Å; D487-Y490 PolarHBondContact O-N 2.98Å; D487-V491 PolarHBondContact O-N 3.39Å
488	I	88.8	Confident	78.5	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.9	-27.6	176.4	76	-176.5	0	0	0	112.3	R485 A486 Y490 V491 L492 A507 T511 W512 C513	R485-I488 HydrophobicContact CG-CD1 4.44Å; R485-I488 VanDerWaalsContact O-CG1 3.28Å; R485-I488 WeakPolarHBondContact O-CG1 3.31Å; R485-I488 PolarHBondContact O-N 2.77Å; A486-I488 PolarHBondContact O-N 2.96Å; I488-Y490 PolarHBondContact O-N 2.86Å; I488-V491 VanDerWaalsContact CA-O 3.32Å; I488-V491 WeakPolarHBondContact CA-O 3.02Å; I488-V491 CarbonylContact O-C 3.58Å; I488-L492 HydrophobicContact CB-CD1 4.33Å; I488-A507 HydrophobicContact CG1-CB 4.35Å; I488-A507 VanDerWaalsContact O-CB 3.3Å; I488-A507 WeakPolarHBondContact O-CB 3.13Å; I488-A507 PolarHBondContact O-N 3.13Å; I488-T511 HydrophobicContact CD1-CG2 4.13Å; I488-W512 WeakPolarHBondContact CD1-O 3.33Å; I488-C513 HydrophobicContact CD1-CB 3.97Å; I488-C513 HydrophobicContact CG1-CB 4.05Å
489	C	87	Confident	77.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-72.2	-19.3	176.4	-52.8	0	0	0	0	111.8	A486 D487 P506 C513 C519 G522	A486-C489 PolarHBondContact O-N 3.09Å; D487-C489 PolarHBondContact O-N 2.88Å; C489-P506 VanDerWaalsContact O-CB 3.27Å; C489-P506 WeakPolarHBondContact O-CB 3.28Å; C489-C513 WeakPolarHBondContact SG-CB 3.26Å; C489-C513 VanDerWaalsContact SG-SG 3.65Å; C489-C519 WeakPolarHBondContact CA-SG 3.42Å; C489-C519 HydrophobicContact CB-CB 3.71Å; C489-C519 WeakPolarHBondContact CB-SG 3.26Å; C489-C519 WeakPolarHBondContact SG-CA 3.06Å; C489-C519 WeakPolarHBondContact SG-CB 3.3Å; C489-C519 CovalentContact SG-SG 2.04Å; C489-C519 PolarHBondContact SG-SG 2.94Å; C489-G522 CarbonylContact C-O 3.58Å; C489-G522 VanDerWaalsContact C-O 3.24Å; C489-G522 CarbonylContact O-C 3.52Å; C489-G522 VanDerWaalsContact O-C 3.26Å; C489-G522 WeakPolarHBondContact O-CA 3.49Å
490	Y	83.6	Confident	76.7	Confident	138 Å²	138	59.9 Å²	59.9	54%	0.541	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-45.9	174.5	-176.7	-109.3	0	0	0	111.2	A407 G408 D487 I488	A407-Y490 WeakPolarHBondContact CA-O 3.35Å; A407-Y490 HydrophobicContact CB-CD1 3.78Å; A407-Y490 HydrophobicContact CB-CD2 4.44Å; A407-Y490 HydrophobicContact CB-CE1 3.26Å; A407-Y490 HydrophobicContact CB-CE2 3.98Å; A407-Y490 HydrophobicContact CB-CG 4.33Å; G408-Y490 PolarHBondContact N-O 2.93Å; D487-Y490 WeakPolarHBondContact O-CA 3.38Å; D487-Y490 WeakPolarHBondContact O-CB 3.25Å; D487-Y490 PolarHBondContact O-N 2.98Å; I488-Y490 PolarHBondContact O-N 2.86Å
491	V	83.2	Confident	76.5	Confident	13 Å²	13	60.6 Å²	60.6	8%	0.079	34%	0.343	C	S	.	.			trans	-146.2	127.3	174.4	171.7	0	0	0	0	109.8	A407 D487 I488 W493	A407-V491 HydrophobicContact CB-CG2 3.09Å; D487-V491 PolarHBondContact O-N 3.39Å; I488-V491 VanDerWaalsContact CA-O 3.32Å; I488-V491 WeakPolarHBondContact CA-O 3.02Å; I488-V491 CarbonylContact O-C 3.58Å; V491-W493 HydrophobicContact CG1-CD2 4.33Å; V491-W493 HydrophobicContact CG1-CG 4.43Å; V491-W493 HydrophobicContact CG1-CZ2 4.36Å
492	L	82.6	Confident	76.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	32%	0.315	C	S	.	.			trans	-80.3	122	170.3	-175.4	66.1	0	0	0	110.9	A463 Q466 H477 I488 S503 H505 A507	A463-L492 HydrophobicContact CB-CD1 4.07Å; Q466-L492 HydrophobicContact CB-CD2 3.62Å; H477-L492 HydrophobicContact CB-CD1 4.18Å; I488-L492 HydrophobicContact CB-CD1 4.33Å; L492-S503 PolarHBondContact O-N 3.05Å; L492-S503 PolarHBondContact O-OG 3.42Å; L492-H505 PolarHBondContact N-O 3.19Å; L492-A507 HydrophobicContact CD1-CB 4.5Å
493	W	81.9	Confident	75.9	Confident	79 Å²	79	49.4 Å²	49.4	30%	0.299	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.7	176.9	-63.8	87.6	0	0	0	110.2	H477 E478 P480 V491 T500	H477-W493 VanDerWaalsContact CA-O 3.3Å; H477-W493 WeakPolarHBondContact CA-O 3Å; E478-W493 PolarHBondContact N-O 3.06Å; E478-W493 VanDerWaalsContact O-CB 3.26Å; E478-W493 WeakPolarHBondContact O-CB 3.46Å; P480-W493 HydrophobicContact CG-CB 4.36Å; P480-W493 HydrophobicContact CG-CD2 3.8Å; P480-W493 HydrophobicContact CG-CE3 4.1Å; P480-W493 HydrophobicContact CG-CG 3.92Å; V491-W493 HydrophobicContact CG1-CD2 4.33Å; V491-W493 HydrophobicContact CG1-CG 4.43Å; V491-W493 HydrophobicContact CG1-CZ2 4.36Å; W493-T500 HydrophobicContact CB-CG2 3.98Å; W493-T500 HydrophobicContact CE3-CG2 4.01Å
494	C	81	Confident	75.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.9	-172.6	-56.7	0	0	0	0	111.2	C467 W471 G476 T500 I501	C467-C494 WeakPolarHBondContact CA-SG 3.5Å; C467-C494 HydrophobicContact CB-CB 3.64Å; C467-C494 WeakPolarHBondContact CB-SG 3.41Å; C467-C494 WeakPolarHBondContact SG-CA 3.41Å; C467-C494 WeakPolarHBondContact SG-CB 3.31Å; C467-C494 CovalentContact SG-SG 2.04Å; C467-C494 PolarHBondContact SG-SG 3Å; W471-C494 VanDerWaalsContact CD1-CB 3.45Å; G476-C494 CarbonylContact O-C 3.53Å; G476-C494 VanDerWaalsContact O-CA 3.31Å; G476-C494 WeakPolarHBondContact O-CA 3.03Å; C494-T500 WeakPolarHBondContact O-CA 3.38Å; C494-I501 PolarHBondContact N-O 2.89Å; C494-I501 PolarHBondContact O-N 3.37Å
495	S	77.1	Confident	74.7	Confident	11 Å²	11	44 Å²	44	8%	0.077	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	149.1	-179.1	-177.4	0	0	0	0	111.7	Y475 G476 E478 G497	Y475-S495 WeakPolarHBondContact CA-O 3.09Å; G476-S495 PolarHBondContact N-O 3.35Å; G476-S495 PolarHBondContact O-N 2.01Å; E478-S495 WeakPolarHBondContact OE2-CB 3.18Å; E478-S495 PolarHBondContact OE2-OG 2.8Å; S495-G497 PolarHBondContact OG-N 2.86Å
496	N	71.2	Confident	74.6	Confident	66 Å²	66	40.2 Å²	40.2	35%	0.353	24%	0.237	S	C	.	.	S	Bend	trans	-110.8	19.5	171.5	65.7	5.9	0	0	0	111.9	G474 Y475 G498	G474-N496 WeakPolarHBondContact O-CA 3.42Å; G474-N496 WeakPolarHBondContact O-CB 3.49Å; Y475-N496 HydrophobicContact CD1-CB 3.96Å; Y475-N496 HydrophobicContact CD2-CB 4.23Å; Y475-N496 HydrophobicContact CE1-CB 3.96Å; Y475-N496 HydrophobicContact CE2-CB 4.26Å; Y475-N496 HydrophobicContact CG-CB 4.1Å; Y475-N496 VanDerWaalsContact CZ-ND2 3.27Å; Y475-N496 PolarHBondContact OH-ND2 3.41Å; N496-G498 PolarHBondContact OD1-N 3.06Å
497	G	58.5	Low	74.8	Confident	36 Å²	36	38.5 Å²	38.5	37%	0.371	22%	0.223	S	C	.	.	S	Bend	trans	86.2	10	-177	0	0	0	0	0	114.7	S495 K637	S495-G497 PolarHBondContact OG-N 2.86Å; G497-K637 WeakPolarHBondContact O-CE 3.24Å; G497-K637 PolarHBondContact O-NZ 3.41Å
498	G	59.3	Low	74.8	Confident	60 Å²	60	36.4 Å²	36.4	62%	0.619	21%	0.212	S	C	*	.	S	Bend	trans	-104.8	-75.6	173.3	0	0	0	0	0	112.4	N496	N496-G498 PolarHBondContact OD1-N 3.06Å
499	M	58.7	Low	74.5	Confident	135 Å²	135	36.8 Å²	36.8	67%	0.665	21%	0.214	S	C	*	.			trans	-129.4	141	-178.1	-179.6	172	70.7	0	0	108.8	I501	M499-I501 HydrophobicContact CE-CD1 4.25Å; M499-I501 HydrophobicContact CE-CG1 4.16Å
500	T	63.2	Low	74.5	Confident	50 Å²	50	36.8 Å²	36.8	31%	0.307	21%	0.214	S	C	.	.			trans	-82.6	130.8	175.1	-39.8	0	0	0	0	109.8	E478 P480 W493 C494	E478-T500 HydrophobicContact CB-CG2 4.28Å; E478-T500 HydrophobicContact CG-CG2 4.42Å; E478-T500 PolarHBondContact OE2-OG1 2.51Å; P480-T500 HydrophobicContact CG-CG2 4.25Å; W493-T500 HydrophobicContact CB-CG2 3.98Å; W493-T500 HydrophobicContact CE3-CG2 4.01Å; C494-T500 WeakPolarHBondContact O-CA 3.38Å
501	I	67.2	Low	74.7	Confident	45 Å²	45	30.4 Å²	30.4	23%	0.231	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.1	-176.1	-50.9	174.9	0	0	0	108.5	W471 Y475 C494 M499	W471-I501 HydrophobicContact CH2-CG2 3.8Å; W471-I501 HydrophobicContact CZ2-CB 4.43Å; W471-I501 HydrophobicContact CZ2-CG2 3.46Å; W471-I501 VanDerWaalsContact CZ2-CG2 3.46Å; W471-I501 HydrophobicContact CZ3-CG2 4.49Å; Y475-I501 HydrophobicContact CE1-CD1 4.28Å; C494-I501 PolarHBondContact N-O 2.89Å; C494-I501 PolarHBondContact O-N 3.37Å; M499-I501 HydrophobicContact CE-CD1 4.25Å; M499-I501 HydrophobicContact CE-CG1 4.16Å
502	S	70.6	Confident	75	Confident	48 Å²	48	32.2 Å²	32.2	34%	0.336	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	139.4	175.2	62.6	0	0	0	0	111.6	W471 A504	W471-S502 WeakPolarHBondContact CZ2-O 3.19Å; S502-A504 PolarHBondContact O-N 3.19Å
503	S	62.6	Low	75.3	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.042	20%	0.195	C	C	.	.			trans	-72	-2.6	172	67.6	0	0	0	0	114.6	F470 L492 H505	F470-S503 WeakPolarHBondContact CE1-O 3.4Å; L492-S503 PolarHBondContact O-N 3.05Å; L492-S503 PolarHBondContact O-OG 3.42Å; S503-H505 PolarHBondContact O-N 3.08Å; S503-H505 PolarHBondContact O-ND1 3.27Å; S503-H505 VanDerWaalsContact O-ND1 3.16Å; S503-H505 PolarHBondContact OG-N 3.46Å; S503-H505 PolarHBondContact OG-O 3.03Å
504	A	64.3	Low	75.4	Confident	41 Å²	41	29.3 Å²	29.3	34%	0.339	19%	0.188	S	C	.	.	S	Bend	trans	59	4.1	-169.4	0	0	0	0	0	115.5	G406 S502	G406-A504 CarbonylContact C-O 3.56Å; G406-A504 VanDerWaalsContact C-O 3.29Å; G406-A504 WeakPolarHBondContact CA-O 3.06Å; S502-A504 PolarHBondContact O-N 3.19Å
505	H	71.6	Confident	75.4	Confident	19 Å²	19	32.1 Å²	32.1	9%	0.088	22%	0.218	C	C	.	.	S	Bend	trans	-130.3	149.5	179.4	-65.1	87.4	0	0	0	112	F373 F470 L492 S503	F373-H505 HydrophobicContact CD2-CB 3.88Å; F373-H505 AromaticContact CD2-CD2 3.5Å; F373-H505 VanDerWaalsContact CD2-CD2 3.5Å; F373-H505 WeakPolarHBondContact CD2-CD2 3.13Å; F373-H505 AromaticContact CD2-CG 3.91Å; F373-H505 HydrophobicContact CE2-CB 3.92Å; F373-H505 AromaticContact CG-CD2 3.81Å; F470-H505 HydrophobicContact CZ-CB 4.34Å; L492-H505 PolarHBondContact N-O 3.19Å; S503-H505 PolarHBondContact O-N 3.08Å; S503-H505 PolarHBondContact O-ND1 3.27Å; S503-H505 VanDerWaalsContact O-ND1 3.16Å; S503-H505 PolarHBondContact OG-N 3.46Å; S503-H505 PolarHBondContact OG-O 3.03Å
506	P	83.1	Confident	75.5	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.032	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-51.4	150.7	166.8	-32.6	40.8	0	0	0	113.7	F373 T410 C489	F373-P506 HydrophobicContact CZ-CB 3.97Å; F373-P506 HydrophobicContact CZ-CG 4.36Å; T410-P506 HydrophobicContact CG2-CB 3.88Å; T410-P506 HydrophobicContact CG2-CG 3.59Å; C489-P506 VanDerWaalsContact O-CB 3.27Å; C489-P506 WeakPolarHBondContact O-CB 3.28Å
507	A	88.9	Confident	76.3	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.025	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-57.9	147	161.4	0	0	0	0	0	110.7	I488 L492 T511	I488-A507 HydrophobicContact CG1-CB 4.35Å; I488-A507 VanDerWaalsContact O-CB 3.3Å; I488-A507 WeakPolarHBondContact O-CB 3.13Å; I488-A507 PolarHBondContact O-N 3.13Å; L492-A507 HydrophobicContact CD1-CB 4.5Å; A507-T511 HydrophobicContact CB-CG2 3.99Å
508	L	86.5	Confident	77.7	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-57.9	154.1	-178.8	-64.3	175	0	0	0	112.5	N264 L369 P457 Q466 G510 T511	N264-L508 HydrophobicContact CB-CD2 4.34Å; N264-L508 VanDerWaalsContact ND2-CD2 3.27Å; N264-L508 WeakPolarHBondContact ND2-CD2 3.37Å; L369-L508 HydrophobicContact CB-CD1 4.11Å; L369-L508 HydrophobicContact CB-CD2 4.47Å; L369-L508 HydrophobicContact CD1-CD1 4Å; L369-L508 HydrophobicContact CD2-CD1 4.43Å; L369-L508 HydrophobicContact CG-CD1 4.41Å; P457-L508 HydrophobicContact CB-CB 4.25Å; P457-L508 HydrophobicContact CB-CD1 3.96Å; Q466-L508 HydrophobicContact CG-CD1 3.99Å; Q466-L508 HydrophobicContact CG-CG 4.28Å; L508-G510 PolarHBondContact O-N 2.89Å; L508-T511 WeakPolarHBondContact O-CB 3.48Å; L508-T511 PolarHBondContact O-N 3.03Å; L508-T511 PolarHBondContact O-OG1 3.45Å; L508-T511 VanDerWaalsContact O-OG1 3.08Å
509	E	83.5	Confident	79.1	Confident	13 Å²	13	30.4 Å²	30.4	6%	0.061	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	130.7	175.5	-73	-70	138.5	0	0	110.8	N264 K267 L456 G458 K520 N521	N264-E509 PolarHBondContact OD1-N 3.14Å; K267-E509 HydrophobicContact CB-CB 4.49Å; K267-E509 HydrophobicContact CB-CG 4.03Å; L456-E509 WeakPolarHBondContact CB-O 3.27Å; G458-E509 WeakPolarHBondContact CA-O 3.48Å; G458-E509 PolarHBondContact N-O 3.49Å; E509-K520 WeakPolarHBondContact OE2-CA 3.48Å; E509-N521 WeakPolarHBondContact OE1-CA 3.49Å; E509-N521 PolarHBondContact OE1-N 3.15Å
510	G	86	Confident	80.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	12.6	-177.3	0	0	0	0	0	115.5	G458 Q459 L508 W518 C519	G458-G510 CarbonylContact C-O 3.53Å; Q459-G510 WeakPolarHBondContact CG-O 3.46Å; Q459-G510 PolarHBondContact N-O 2.91Å; L508-G510 PolarHBondContact O-N 2.89Å; G510-W518 VanDerWaalsContact O-CD1 3.27Å; G510-C519 PolarHBondContact N-O 3.43Å
511	T	88.4	Confident	80.9	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	18%	0.18	C	C	.	.			trans	-69.9	133.6	168	-67	0	0	0	0	110.8	G458 A463 Q466 I488 A507 L508 C513 W518 C519	G458-T511 WeakPolarHBondContact CA-OG1 3.24Å; G458-T511 WeakPolarHBondContact O-CA 3.19Å; G458-T511 PolarHBondContact O-OG1 3.41Å; A463-T511 HydrophobicContact CB-CG2 4.11Å; Q466-T511 PolarHBondContact NE2-OG1 3.13Å; I488-T511 HydrophobicContact CD1-CG2 4.13Å; A507-T511 HydrophobicContact CB-CG2 3.99Å; L508-T511 WeakPolarHBondContact O-CB 3.48Å; L508-T511 PolarHBondContact O-N 3.03Å; L508-T511 PolarHBondContact O-OG1 3.45Å; L508-T511 VanDerWaalsContact O-OG1 3.08Å; T511-C513 PolarHBondContact O-N 3.2Å; T511-W518 CarbonylContact O-C 3.53Å; T511-W518 WeakPolarHBondContact O-CA 3.44Å; T511-C519 PolarHBondContact O-N 3.13Å
512	W	89.1	Confident	81.5	Confident	52 Å²	52	27.5 Å²	27.5	20%	0.197	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127	177.4	179.4	76.4	0	0	0	111.9	I488 G515 W518 G577	I488-W512 WeakPolarHBondContact CD1-O 3.33Å; W512-G515 PolarHBondContact NE1-O 2.81Å; W512-W518 AromaticContact CD1-CE2 3.69Å; W512-W518 AromaticContact CD1-CZ2 3.71Å; W512-W518 AromaticContact CD1-NE1 3.97Å; W512-G577 VanDerWaalsContact CD2-CA 3.49Å; W512-G577 VanDerWaalsContact CE2-CA 3.41Å
513	C	88.1	Confident	82.1	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	13.2	-173.9	60.2	0	0	0	0	114.3	R485 I488 C489 T511 N517 W518 C524	R485-C513 CarbonylContact C-O 3.58Å; R485-C513 WeakPolarHBondContact CB-O 3.11Å; R485-C513 WeakPolarHBondContact CG-O 3.49Å; I488-C513 HydrophobicContact CD1-CB 3.97Å; I488-C513 HydrophobicContact CG1-CB 4.05Å; C489-C513 WeakPolarHBondContact SG-CB 3.26Å; C489-C513 VanDerWaalsContact SG-SG 3.65Å; T511-C513 PolarHBondContact O-N 3.2Å; C513-N517 PolarHBondContact N-O 3Å; C513-N517 PolarHBondContact SG-O 3.02Å; C513-N517 VanDerWaalsContact SG-O 3.36Å; C513-W518 WeakPolarHBondContact SG-CA 3.45Å; C513-W518 PolarHBondContact SG-N 2.85Å; C513-C524 HydrophobicContact CB-CB 3.86Å; C513-C524 WeakPolarHBondContact CB-SG 3.32Å; C513-C524 WeakPolarHBondContact SG-CA 3.28Å; C513-C524 WeakPolarHBondContact SG-CB 3.48Å; C513-C524 CovalentContact SG-SG 2.02Å; C513-C524 PolarHBondContact SG-SG 3.32Å
514	G	83.9	Confident	83.4	Confident	15 Å²	15	31 Å²	31	16%	0.155	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.6	146	172.3	0	0	0	0	0	113.2	S516 N517	G514-S516 PolarHBondContact O-N 3.27Å; G514-N517 WeakPolarHBondContact O-CA 3.45Å; G514-N517 VanDerWaalsContact O-CB 3.25Å; G514-N517 WeakPolarHBondContact O-CB 3.43Å; G514-N517 PolarHBondContact O-N 3.24Å
515	G	81.1	Confident	84.5	Confident	60 Å²	60	31.1 Å²	31.1	62%	0.619	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	-127.6	-178.4	0	0	0	0	0	112.1	W512	W512-G515 PolarHBondContact NE1-O 2.81Å
516	S	79.7	Confident	85.1	Confident	79 Å²	79	35 Å²	35	55%	0.552	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	37.1	171.8	-56.5	0	0	0	0	112.3	G514 W518 W527	G514-S516 PolarHBondContact O-N 3.27Å; S516-W518 VanDerWaalsContact C-CE3 3.4Å; S516-W518 VanDerWaalsContact CA-CZ3 3.48Å; S516-W518 WeakPolarHBondContact O-CZ3 3.02Å; S516-W527 PolarHBondContact O-N 2.8Å; S516-W527 VanDerWaalsContact O-N 3.17Å
517	N	87.8	Confident	84.8	Confident	52 Å²	52	36.4 Å²	36.4	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.6	-177.9	-52.9	-33.6	0	0	0	112.6	C513 G514 C524 V525 P526	C513-N517 PolarHBondContact N-O 3Å; C513-N517 PolarHBondContact SG-O 3.02Å; C513-N517 VanDerWaalsContact SG-O 3.36Å; G514-N517 WeakPolarHBondContact O-CA 3.45Å; G514-N517 VanDerWaalsContact O-CB 3.25Å; G514-N517 WeakPolarHBondContact O-CB 3.43Å; G514-N517 PolarHBondContact O-N 3.24Å; N517-C524 WeakPolarHBondContact CB-SG 3.3Å; N517-V525 CarbonylContact C-O 3.53Å; N517-V525 VanDerWaalsContact CA-O 3.25Å; N517-V525 WeakPolarHBondContact CA-O 3.27Å; N517-P526 VanDerWaalsContact OD1-CA 3.23Å; N517-P526 WeakPolarHBondContact OD1-CA 3.27Å
518	W	89.2	Confident	84	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.1	-179.7	-73.4	-103.2	0	0	0	111.2	G510 T511 W512 C513 S516 K520 V525 W527 V532 P533	G510-W518 VanDerWaalsContact O-CD1 3.27Å; T511-W518 CarbonylContact O-C 3.53Å; T511-W518 WeakPolarHBondContact O-CA 3.44Å; W512-W518 AromaticContact CD1-CE2 3.69Å; W512-W518 AromaticContact CD1-CZ2 3.71Å; W512-W518 AromaticContact CD1-NE1 3.97Å; C513-W518 WeakPolarHBondContact SG-CA 3.45Å; C513-W518 PolarHBondContact SG-N 2.85Å; S516-W518 VanDerWaalsContact C-CE3 3.4Å; S516-W518 VanDerWaalsContact CA-CZ3 3.48Å; S516-W518 WeakPolarHBondContact O-CZ3 3.02Å; W518-K520 PolarHBondContact O-N 2.82Å; W518-V525 PolarHBondContact N-O 3.17Å; W518-V525 PolarHBondContact O-N 2.88Å; W518-W527 HydrophobicContact CB-CD2 4.25Å; W518-W527 HydrophobicContact CB-CE3 3.58Å; W518-W527 HydrophobicContact CB-CZ3 3.9Å; W518-W527 HydrophobicContact CD2-CB 4.04Å; W518-W527 HydrophobicContact CD2-CD2 4.47Å; W518-W527 HydrophobicContact CD2-CG 4.27Å; W518-W527 HydrophobicContact CE3-CB 3.24Å; W518-W527 HydrophobicContact CE3-CD2 4.48Å; W518-W527 AromaticContact CE3-CG 3.93Å; W518-W527 HydrophobicContact CE3-CG 3.93Å; W518-W527 HydrophobicContact CG-CD2 4.4Å; W518-W527 HydrophobicContact CG-CE3 4.2Å; W518-W527 HydrophobicContact CZ3-CB 3.54Å; W518-W527 HydrophobicContact CZ3-CG 4.37Å; W518-V532 HydrophobicContact CH2-CB 4.2Å; W518-V532 HydrophobicContact CH2-CG1 3.35Å; W518-V532 HydrophobicContact CH2-CG2 4.07Å; W518-V532 HydrophobicContact CZ2-CG1 3.91Å; W518-V532 HydrophobicContact CZ3-CG1 4.18Å; W518-V532 HydrophobicContact CZ3-CG2 4.05Å; W518-P533 HydrophobicContact CZ2-CG 4.49Å
519	C	88.4	Confident	83.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.9	177.6	-62.4	0	0	0	0	110.9	C489 G510 T511 K523	C489-C519 WeakPolarHBondContact CA-SG 3.42Å; C489-C519 HydrophobicContact CB-CB 3.71Å; C489-C519 WeakPolarHBondContact CB-SG 3.26Å; C489-C519 WeakPolarHBondContact SG-CA 3.06Å; C489-C519 WeakPolarHBondContact SG-CB 3.3Å; C489-C519 CovalentContact SG-SG 2.04Å; C489-C519 PolarHBondContact SG-SG 2.94Å; G510-C519 PolarHBondContact N-O 3.43Å; T511-C519 PolarHBondContact O-N 3.13Å; C519-K523 CarbonylContact C-O 3.55Å; C519-K523 WeakPolarHBondContact CA-O 3.47Å
520	K	84.3	Confident	82.3	Confident	103 Å²	103	53.1 Å²	53.1	45%	0.448	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	126.2	174.7	-171.7	-177.9	177	-175.6	0	110.1	E509 W518 G522 K523 V525 W527	E509-K520 WeakPolarHBondContact OE2-CA 3.48Å; W518-K520 PolarHBondContact O-N 2.82Å; K520-G522 PolarHBondContact O-N 3.32Å; K520-K523 PolarHBondContact N-O 3.15Å; K520-K523 PolarHBondContact O-N 3.44Å; K520-V525 HydrophobicContact CB-CG2 3.61Å; K520-V525 HydrophobicContact CD-CG2 4.1Å; K520-V525 HydrophobicContact CG-CG2 4.49Å; K520-W527 HydrophobicContact CB-CZ3 4.35Å; K520-W527 HydrophobicContact CD-CZ3 4.39Å
521	N	75.7	Confident	81.5	Confident	56 Å²	56	56.8 Å²	56.8	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	44.7	-176.7	-61.4	-18.4	0	0	0	112	S271 T410 E509 K523	S271-N521 WeakPolarHBondContact CB-OD1 3.42Å; S271-N521 PolarHBondContact OG-OD1 3.16Å; T410-N521 WeakPolarHBondContact OG1-CA 3.47Å; T410-N521 PolarHBondContact OG1-O 3.27Å; E509-N521 WeakPolarHBondContact OE1-CA 3.49Å; E509-N521 PolarHBondContact OE1-N 3.15Å; N521-K523 PolarHBondContact O-N 3.12Å
522	G	78.9	Confident	80.5	Confident	10 Å²	10	59.5 Å²	59.5	10%	0.103	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	6.4	178.7	0	0	0	0	0	115.2	T410 C489 K520	T410-G522 PolarHBondContact OG1-N 3.24Å; T410-G522 VanDerWaalsContact OG1-N 3.16Å; C489-G522 CarbonylContact C-O 3.58Å; C489-G522 VanDerWaalsContact C-O 3.24Å; C489-G522 CarbonylContact O-C 3.52Å; C489-G522 VanDerWaalsContact O-C 3.26Å; C489-G522 WeakPolarHBondContact O-CA 3.49Å; K520-G522 PolarHBondContact O-N 3.32Å
523	K	83.4	Confident	79.7	Confident	96 Å²	96	58 Å²	58	42%	0.417	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146	-178.8	-64.3	-177.9	-178	-179.9	0	111.2	F199 C519 K520 N521 V525	F199-K523 HydrophobicContact CZ-CD 4.37Å; C519-K523 CarbonylContact C-O 3.55Å; C519-K523 WeakPolarHBondContact CA-O 3.47Å; K520-K523 PolarHBondContact N-O 3.15Å; K520-K523 PolarHBondContact O-N 3.44Å; N521-K523 PolarHBondContact O-N 3.12Å; K523-V525 HydrophobicContact CB-CG1 3.95Å; K523-V525 PolarHBondContact O-N 3.44Å
524	C	88.7	Confident	79.2	Confident	31 Å²	31	62.7 Å²	62.7	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	103.8	171.5	-174	0	0	0	0	109	A486 C513 N517	A486-C524 HydrophobicContact CB-CB 3.5Å; C513-C524 HydrophobicContact CB-CB 3.86Å; C513-C524 WeakPolarHBondContact CB-SG 3.32Å; C513-C524 WeakPolarHBondContact SG-CA 3.28Å; C513-C524 WeakPolarHBondContact SG-CB 3.48Å; C513-C524 CovalentContact SG-SG 2.02Å; C513-C524 PolarHBondContact SG-SG 3.32Å; N517-C524 WeakPolarHBondContact CB-SG 3.3Å
525	V	87.4	Confident	79.1	Confident	43 Å²	43	64.4 Å²	64.4	26%	0.261	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.2	-173.9	-59.2	0	0	0	0	111.5	N517 W518 K520 K523 W527	N517-V525 CarbonylContact C-O 3.53Å; N517-V525 VanDerWaalsContact CA-O 3.25Å; N517-V525 WeakPolarHBondContact CA-O 3.27Å; W518-V525 PolarHBondContact N-O 3.17Å; W518-V525 PolarHBondContact O-N 2.88Å; K520-V525 HydrophobicContact CB-CG2 3.61Å; K520-V525 HydrophobicContact CD-CG2 4.1Å; K520-V525 HydrophobicContact CG-CG2 4.49Å; K523-V525 HydrophobicContact CB-CG1 3.95Å; K523-V525 PolarHBondContact O-N 3.44Å; V525-W527 PolarHBondContact O-N 2.6Å
526	P	86.1	Confident	79	Confident	102 Å²	102	63.9 Å²	63.9	66%	0.662	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	135.3	169.7	-23.3	33.4	0	0	0	111	N517	N517-P526 VanDerWaalsContact OD1-CA 3.23Å; N517-P526 WeakPolarHBondContact OD1-CA 3.27Å
527	W	75.2	Confident	79.3	Confident	33 Å²	33	63.7 Å²	63.7	13%	0.125	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-90.1	145.6	176.2	-152.5	-105.4	0	0	0	110.7	L456 S516 W518 K520 V525 I529 Q531 V532	L456-W527 HydrophobicContact CD1-CH2 3.29Å; L456-W527 HydrophobicContact CD1-CZ2 3.62Å; L456-W527 HydrophobicContact CD1-CZ3 4.43Å; S516-W527 PolarHBondContact O-N 2.8Å; S516-W527 VanDerWaalsContact O-N 3.17Å; W518-W527 HydrophobicContact CB-CD2 4.25Å; W518-W527 HydrophobicContact CB-CE3 3.58Å; W518-W527 HydrophobicContact CB-CZ3 3.9Å; W518-W527 HydrophobicContact CD2-CB 4.04Å; W518-W527 HydrophobicContact CD2-CD2 4.47Å; W518-W527 HydrophobicContact CD2-CG 4.27Å; W518-W527 HydrophobicContact CE3-CB 3.24Å; W518-W527 HydrophobicContact CE3-CD2 4.48Å; W518-W527 AromaticContact CE3-CG 3.93Å; W518-W527 HydrophobicContact CE3-CG 3.93Å; W518-W527 HydrophobicContact CG-CD2 4.4Å; W518-W527 HydrophobicContact CG-CE3 4.2Å; W518-W527 HydrophobicContact CZ3-CB 3.54Å; W518-W527 HydrophobicContact CZ3-CG 4.37Å; K520-W527 HydrophobicContact CB-CZ3 4.35Å; K520-W527 HydrophobicContact CD-CZ3 4.39Å; V525-W527 PolarHBondContact O-N 2.6Å; W527-I529 PolarHBondContact O-N 2.02Å; W527-Q531 VanDerWaalsContact CD1-O 3.26Å; W527-Q531 PolarHBondContact NE1-O 2.95Å; W527-Q531 VanDerWaalsContact NE1-O 3.11Å; W527-V532 HydrophobicContact CB-CG2 4.3Å
528	P	73.7	Confident	79	Confident	65 Å²	65	61.8 Å²	61.8	42%	0.422	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-54.2	126.3	175.5	-23	32.9	0	0	0	109.9	D530 Q531 V532	P528-D530 PolarHBondContact O-N 2.55Å; P528-Q531 HydrophobicContact CB-CB 4.43Å; P528-Q531 PolarHBondContact O-N 3.45Å; P528-V532 PolarHBondContact O-N 2.98Å
529	I	68.5	Low	78.8	Confident	151 Å²	151	66.8 Å²	66.8	77%	0.774	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-51	-36.7	-173	-61.3	170.6	0	0	0	111	W527 Q531	W527-I529 PolarHBondContact O-N 2.02Å; I529-Q531 VanDerWaalsContact C-N 3.27Å; I529-Q531 PolarHBondContact O-N 2.8Å
530	D	65.5	Low	78.6	Confident	155 Å²	155	69.6 Å²	69.6	83%	0.829	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-76.3	-8.4	-176.4	-40.9	-33.7	0	0	0	114.2	P528	P528-D530 PolarHBondContact O-N 2.55Å
531	Q	69.3	Low	78.5	Confident	77 Å²	77	67.3 Å²	67.3	36%	0.36	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-125.8	9	-174	-68.2	173	16.5	0	0	113.1	W527 P528 I529 P533	W527-Q531 VanDerWaalsContact CD1-O 3.26Å; W527-Q531 PolarHBondContact NE1-O 2.95Å; W527-Q531 VanDerWaalsContact NE1-O 3.11Å; P528-Q531 HydrophobicContact CB-CB 4.43Å; P528-Q531 PolarHBondContact O-N 3.45Å; I529-Q531 VanDerWaalsContact C-N 3.27Å; I529-Q531 PolarHBondContact O-N 2.8Å; Q531-P533 VanDerWaalsContact O-CD 3.29Å; Q531-P533 WeakPolarHBondContact O-CD 3.36Å
532	V	67.3	Low	78.9	Confident	60 Å²	60	69 Å²	69	36%	0.364	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.7	120.6	178.5	169.1	0	0	0	0	109.4	W518 W527 P528	W518-V532 HydrophobicContact CH2-CB 4.2Å; W518-V532 HydrophobicContact CH2-CG1 3.35Å; W518-V532 HydrophobicContact CH2-CG2 4.07Å; W518-V532 HydrophobicContact CZ2-CG1 3.91Å; W518-V532 HydrophobicContact CZ3-CG1 4.18Å; W518-V532 HydrophobicContact CZ3-CG2 4.05Å; W527-V532 HydrophobicContact CB-CG2 4.3Å; P528-V532 PolarHBondContact O-N 2.98Å
533	P	71.2	Confident	79.1	Confident	22 Å²	22	71.2 Å²	71.2	14%	0.143	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-60.3	145.6	175.4	-21.7	32.3	0	0	0	111.6	Q459 W518 Q531 A535 N576	Q459-P533 VanDerWaalsContact CD-CG 3.5Å; Q459-P533 HydrophobicContact CG-CG 4.17Å; W518-P533 HydrophobicContact CZ2-CG 4.49Å; Q531-P533 VanDerWaalsContact O-CD 3.29Å; Q531-P533 WeakPolarHBondContact O-CD 3.36Å; P533-A535 PolarHBondContact O-N 2.86Å; P533-N576 HydrophobicContact CB-CB 4Å
534	V	77.7	Confident	79	Confident	100 Å²	100	69.1 Å²	69.1	61%	0.606	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.1	128.5	175.5	-177.2	0	0	0	0	109.4	V536 N576	V534-V536 PolarHBondContact O-N 2.97Å; V534-N576 WeakPolarHBondContact O-CB 3.15Å
535	A	81.6	Confident	77.9	Confident	51 Å²	51	72.5 Å²	72.5	42%	0.421	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-61.7	128	173.4	0	0	0	0	0	110.2	P533 N576	P533-A535 PolarHBondContact O-N 2.86Å; A535-N576 WeakPolarHBondContact CA-O 3.47Å
536	V	79.5	Confident	76.6	Confident	50 Å²	50	74.6 Å²	74.6	30%	0.303	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-105.4	106.4	177.9	179.7	0	0	0	0	107.5	V534 P572 P574 N575 G578	V534-V536 PolarHBondContact O-N 2.97Å; V536-P572 HydrophobicContact CG1-CB 3.87Å; V536-P572 HydrophobicContact CG1-CG 3.39Å; V536-P574 WeakPolarHBondContact O-CA 3.4Å; V536-N575 HydrophobicContact CB-CB 4.13Å; V536-N575 PolarHBondContact N-O 3.07Å; V536-N575 PolarHBondContact O-N 3.21Å; V536-G578 WeakPolarHBondContact O-CA 3.29Å
537	D	85.4	Confident	75	Confident	74 Å²	74	78.4 Å²	78.4	40%	0.396	44%	0.438	S	S	.	.			trans	-67.7	134	175.7	-73.2	-11.9	0	0	0	110.1	G578 K579	D537-G578 WeakPolarHBondContact OD1-CA 2.97Å; D537-K579 HydrophobicContact CB-CB 4.5Å; D537-K579 PolarHBondContact OD1-N 2.95Å
538	G	82.2	Confident	73.9	Confident	12 Å²	12	85.2 Å²	85.2	12%	0.124	47%	0.471	C	S	.	.			trans	-66.3	137.3	179.5	0	0	0	0	0	112	P572 K579 C581	G538-P572 WeakPolarHBondContact CA-O 3.5Å; G538-K579 PolarHBondContact N-O 3.23Å; G538-C581 PolarHBondContact O-SG 3.11Å; G538-C581 VanDerWaalsContact O-SG 3.41Å
539	Q	84.3	Confident	73.5	Confident	110 Å²	110	84.1 Å²	84.1	51%	0.514	47%	0.465	S	S	.	.			trans	-128.7	148.8	173.6	-63	174.9	30.9	0	0	111.2	C569 S570 S571 P572 C581	Q539-C569 CarbonylContact O-C 3.59Å; Q539-S570 PolarHBondContact O-N 3.4Å; Q539-S570 VanDerWaalsContact O-N 3.13Å; Q539-S571 WeakPolarHBondContact CB-O 3.01Å; Q539-S571 PolarHBondContact O-N 2.63Å; Q539-S571 PolarHBondContact OE1-O 3.08Å; Q539-P572 PolarHBondContact N-O 2.79Å; Q539-C581 PolarHBondContact N-SG 3.39Å
540	W	84.2	Confident	74	Confident	60 Å²	60	85.9 Å²	85.9	23%	0.227	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-80	142.9	-178.2	-69.6	114.4	0	0	0	112.1	R567 C569 C581 A582 A585	W540-R567 VanDerWaalsContact CD1-CZ 3.42Å; W540-R567 VanDerWaalsContact CD2-CD 3.49Å; W540-R567 HydrophobicContact CD2-CG 3.95Å; W540-R567 VanDerWaalsContact CE2-CZ 3.42Å; W540-R567 HydrophobicContact CE3-CB 4.18Å; W540-R567 HydrophobicContact CE3-CG 3.45Å; W540-R567 VanDerWaalsContact CE3-CG 3.45Å; W540-R567 HydrophobicContact CZ3-CG 3.86Å; W540-R567 VanDerWaalsContact NE1-CZ 3.26Å; W540-R567 VanDerWaalsContact NE1-NH2 3.17Å; W540-C569 HydrophobicContact CE3-CB 3.94Å; W540-C569 HydrophobicContact CH2-CB 4.09Å; W540-C569 HydrophobicContact CZ3-CB 3.69Å; W540-C569 VanDerWaalsContact CZ3-N 3.35Å; W540-C581 HydrophobicContact CD2-CB 3.82Å; W540-C581 HydrophobicContact CE3-CB 4.44Å; W540-C581 HydrophobicContact CG-CB 4.28Å; W540-C581 HydrophobicContact CH2-CB 4.07Å; W540-C581 HydrophobicContact CZ2-CB 3.4Å; W540-C581 VanDerWaalsContact CZ2-CB 3.4Å; W540-A582 PolarHBondContact NE1-O 2.87Å; W540-A585 VanDerWaalsContact CH2-CA 3.48Å; W540-A585 HydrophobicContact CH2-CB 3.76Å; W540-A585 HydrophobicContact CZ3-CB 3.82Å
541	N	82.5	Confident	74.9	Confident	55 Å²	55	80.1 Å²	80.1	29%	0.294	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-67.8	167.9	159.4	-59.9	10.1	0	0	0	110.5	M568 S570 S571	N541-M568 PolarHBondContact N-O 2.9Å; N541-M568 PolarHBondContact OD1-O 3.44Å; N541-S570 PolarHBondContact ND2-OG 2.76Å; N541-S570 PolarHBondContact OD1-OG 2.67Å; N541-S571 WeakPolarHBondContact OD1-CB 3.34Å; N541-S571 PolarHBondContact OD1-N 2.82Å; N541-S571 PolarHBondContact OD1-OG 3.4Å
542	A	83.7	Confident	75.6	Confident	93 Å²	93	77.1 Å²	77.1	77%	0.769	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-56.6	147.7	165	0	0	0	0	0	111.2
543	W	84.5	Confident	76.3	Confident	55 Å²	55	79.7 Å²	79.7	21%	0.208	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-59.9	141.9	172.7	-68.5	101.9	0	0	0	111.1	S545 E565 R567 R587 E687	W543-S545 PolarHBondContact O-N 2.94Å; W543-E565 HydrophobicContact CE3-CB 3.92Å; W543-E565 WeakPolarHBondContact CZ3-O 3.39Å; W543-R567 HydrophobicContact CD2-CB 4.16Å; W543-R567 HydrophobicContact CD2-CG 4.11Å; W543-R567 HydrophobicContact CE3-CB 3.83Å; W543-R567 HydrophobicContact CE3-CG 3.72Å; W543-R567 HydrophobicContact CH2-CG 3.76Å; W543-R567 VanDerWaalsContact CH2-NE 3.35Å; W543-R567 VanDerWaalsContact CZ2-CD 3.45Å; W543-R567 HydrophobicContact CZ2-CG 4.15Å; W543-R567 VanDerWaalsContact CZ2-NE 3.28Å; W543-R567 HydrophobicContact CZ3-CB 4.14Å; W543-R567 HydrophobicContact CZ3-CG 3.53Å; W543-R587 HydrophobicContact CD2-CG 4.25Å; W543-R587 HydrophobicContact CE3-CG 3.89Å; W543-R587 HydrophobicContact CH2-CB 3.72Å; W543-R587 HydrophobicContact CH2-CG 3.64Å; W543-R587 HydrophobicContact CZ2-CB 4.27Å; W543-R587 HydrophobicContact CZ2-CG 3.99Å; W543-R587 HydrophobicContact CZ3-CB 4Å; W543-R587 HydrophobicContact CZ3-CG 3.59Å; W543-E687 HydrophobicContact CZ2-CB 4.45Å; W543-E687 HydrophobicContact CZ2-CG 4.35Å
544	S	79.4	Confident	76.9	Confident	52 Å²	52	81.1 Å²	81.1	36%	0.364	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-54.5	131.8	176.9	60.3	0	0	0	0	111.9	V566	S544-V566 VanDerWaalsContact CB-O 3.29Å; S544-V566 WeakPolarHBondContact CB-O 3.18Å; S544-V566 PolarHBondContact N-O 3.19Å; S544-V566 PolarHBondContact OG-N 3.18Å; S544-V566 PolarHBondContact OG-O 3.4Å
545	S	66.3	Low	77.3	Confident	102 Å²	102	77.7 Å²	77.7	71%	0.713	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-64.8	148.4	-179.3	-174	0	0	0	0	113.5	W543 K547	W543-S545 PolarHBondContact O-N 2.94Å; S545-K547 VanDerWaalsContact C-N 3.32Å; S545-K547 PolarHBondContact O-N 2.73Å
546	L	59.9	Low	77.7	Confident	88 Å²	88	75.3 Å²	75.3	46%	0.461	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-73.7	-4.4	-171.1	-73.6	163.1	0	0	0	116.4	H548 S549 R563 E565	L546-H548 PolarHBondContact O-N 2.94Å; L546-S549 PolarHBondContact O-N 3.49Å; L546-S549 VanDerWaalsContact O-N 3.12Å; L546-R563 HydrophobicContact CD2-CG 4.49Å; L546-E565 WeakPolarHBondContact CD2-OE1 3.38Å
547	K	53.1	Low	78.1	Confident	182 Å²	182	78.4 Å²	78.4	79%	0.791	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-57	-18.2	-165.5	-77.6	-169.7	176.3	-177.1	0	115.3	S545	S545-K547 VanDerWaalsContact C-N 3.32Å; S545-K547 PolarHBondContact O-N 2.73Å
548	H	52.7	Low	78.2	Confident	175 Å²	175	76.6 Å²	76.6	81%	0.81	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-135.5	21.1	177.1	-59.5	-56.5	0	0	0	114.7	L546 Y550	L546-H548 PolarHBondContact O-N 2.94Å; H548-Y550 PolarHBondContact O-N 2.95Å
549	S	65.2	Low	78.5	Confident	42 Å²	42	76.4 Å²	76.4	29%	0.294	41%	0.409	S	S	.	.			trans	-86.4	107.4	-178.9	-162.6	0	0	0	0	111.1	L546 R563 K564	L546-S549 PolarHBondContact O-N 3.49Å; L546-S549 VanDerWaalsContact O-N 3.12Å; S549-R563 WeakPolarHBondContact OG-CB 3.43Å; S549-K564 PolarHBondContact OG-O 3.04Å; S549-K564 VanDerWaalsContact OG-O 3.08Å
550	Y	78.9	Confident	78.8	Confident	188 Å²	188	72.9 Å²	72.9	74%	0.737	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-87.6	152.7	171.7	51.7	-88.7	0	0	0	110.9	H548	H548-Y550 PolarHBondContact O-N 2.95Å
551	C	84.2	Confident	79	Confident	35 Å²	35	74.6 Å²	74.6	24%	0.236	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-70.6	140.2	174.3	-59.5	0	0	0	0	110	R561 C591	C551-R561 HydrophobicContact CB-CB 4.46Å; C551-C591 HydrophobicContact CB-CB 3.86Å; C551-C591 WeakPolarHBondContact CB-SG 3.18Å; C551-C591 WeakPolarHBondContact SG-CB 3.33Å; C551-C591 CovalentContact SG-SG 2.02Å; C551-C591 PolarHBondContact SG-SG 3.46Å
552	S	83.9	Confident	79.4	Confident	14 Å²	14	72.1 Å²	72.1	10%	0.098	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-56.2	149.6	176.7	61	0	0	0	0	112.7	L560 R561 L562 D656	S552-L560 PolarHBondContact OG-O 2.77Å; S552-R561 PolarHBondContact O-NE 3.06Å; S552-L562 WeakPolarHBondContact CB-O 3.47Å; S552-L562 PolarHBondContact N-O 3.4Å; S552-L562 PolarHBondContact OG-N 2.67Å; S552-L562 PolarHBondContact OG-O 3.28Å; S552-D656 WeakPolarHBondContact CB-O 3.09Å; S552-D656 PolarHBondContact OG-O 3.45Å
553	D	81.5	Confident	79.6	Confident	113 Å²	113	71.2 Å²	71.2	60%	0.604	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-70	142.5	179.1	-67.3	-39.2	0	0	0	111.8	V555	D553-V555 HydrophobicContact CB-CG2 3.67Å; D553-V555 PolarHBondContact O-N 3.16Å; D553-V555 VanDerWaalsContact O-N 3.12Å
554	C	83.5	Confident	79.6	Confident	52 Å²	52	72.5 Å²	72.5	35%	0.351	37%	0.37	S	S	.	.			trans	-90	72.3	-174.7	-163.8	0	0	0	0	110.4	C597	C554-C597 WeakPolarHBondContact CA-SG 3.34Å; C554-C597 HydrophobicContact CB-CB 4.2Å; C554-C597 WeakPolarHBondContact CB-SG 3.45Å; C554-C597 WeakPolarHBondContact SG-CA 3.44Å; C554-C597 WeakPolarHBondContact SG-CB 3.31Å; C554-C597 CovalentContact SG-SG 2.03Å; C554-C597 PolarHBondContact SG-SG 3.13Å
555	V	86.9	Confident	80	Confident	29 Å²	29	70.6 Å²	70.6	18%	0.176	36%	0.356	C	S	.	.			trans	-108.2	-29.9	-169.7	-167.6	0	0	0	0	113.7	D553 N599 M600 F605	D553-V555 HydrophobicContact CB-CG2 3.67Å; D553-V555 PolarHBondContact O-N 3.16Å; D553-V555 VanDerWaalsContact O-N 3.12Å; V555-N599 WeakPolarHBondContact O-CB 3.42Å; V555-M600 HydrophobicContact CG1-CE 3.45Å; V555-M600 VanDerWaalsContact CG1-CE 3.45Å; V555-M600 PolarHBondContact O-N 2.92Å; V555-M600 VanDerWaalsContact O-N 3.16Å; V555-F605 HydrophobicContact CB-CE2 4.44Å; V555-F605 HydrophobicContact CG1-CD2 3.7Å; V555-F605 HydrophobicContact CG1-CE2 3.72Å
556	V	89.2	Confident	80.8	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-110	137.6	-176.6	-175.2	0	0	0	0	110.3	G558 A559 C597 M600 K602 F605 P655 T658	V556-G558 PolarHBondContact O-N 3.32Å; V556-A559 HydrophobicContact CB-CB 4.43Å; V556-A559 WeakPolarHBondContact O-CB 3.38Å; V556-A559 PolarHBondContact O-N 2.83Å; V556-A559 VanDerWaalsContact O-N 3.11Å; V556-C597 WeakPolarHBondContact O-CB 3.21Å; V556-M600 CarbonylContact C-O 3.51Å; V556-M600 WeakPolarHBondContact CA-O 3.35Å; V556-K602 HydrophobicContact CG1-CB 4.16Å; V556-F605 HydrophobicContact CG2-CB 4.16Å; V556-F605 HydrophobicContact CG2-CD1 4.4Å; V556-F605 HydrophobicContact CG2-CD2 4.19Å; V556-F605 HydrophobicContact CG2-CG 3.99Å; V556-P655 HydrophobicContact CG2-CG 4.47Å; V556-T658 HydrophobicContact CB-CG2 4.27Å; V556-T658 HydrophobicContact CG1-CG2 3.91Å; V556-T658 HydrophobicContact CG2-CG2 4.42Å
557	K	87.8	Confident	82	Confident	115 Å²	115	65.4 Å²	65.4	50%	0.5	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	129.2	-179.2	-165.8	168.2	-175.8	138.3	0	111.6	A559 C597 D598 M600	K557-A559 VanDerWaalsContact C-N 3.29Å; K557-A559 PolarHBondContact O-N 2.84Å; K557-C597 CarbonylContact C-O 3.59Å; K557-C597 WeakPolarHBondContact CA-O 3.27Å; K557-D598 WeakPolarHBondContact CD-OD1 3.23Å; K557-D598 WeakPolarHBondContact CE-OD1 3.43Å; K557-D598 WeakPolarHBondContact CG-OD1 3.4Å; K557-D598 IonicContact NZ-OD1 3.43Å; K557-D598 PolarHBondContact NZ-OD1 2.81Å; K557-D598 IonicContact NZ-OD2 2.8Å; K557-D598 PolarHBondContact NZ-OD2 3.02Å; K557-M600 PolarHBondContact N-O 3.04Å
558	G	87.4	Confident	83.2	Confident	36 Å²	36	62.1 Å²	62.1	37%	0.371	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	14.2	-177.6	0	0	0	0	0	115	V556 C597	V556-G558 PolarHBondContact O-N 3.32Å; G558-C597 PolarHBondContact N-O 2.92Å
559	A	90	Very high	84.3	Confident	7 Å²	7	55.2 Å²	55.2	6%	0.058	28%	0.28	C	S	.	.			trans	-72.7	140.5	175.1	0	0	0	0	0	112	V556 K557 C597 G657	V556-A559 HydrophobicContact CB-CB 4.43Å; V556-A559 WeakPolarHBondContact O-CB 3.38Å; V556-A559 PolarHBondContact O-N 2.83Å; V556-A559 VanDerWaalsContact O-N 3.11Å; K557-A559 VanDerWaalsContact C-N 3.29Å; K557-A559 PolarHBondContact O-N 2.84Å; A559-C597 HydrophobicContact CB-CB 4.19Å; A559-C597 PolarHBondContact O-SG 2.92Å; A559-C597 VanDerWaalsContact O-SG 3.34Å; A559-G657 CarbonylContact C-O 3.53Å; A559-G657 WeakPolarHBondContact CA-O 3.49Å
560	L	89.3	Confident	84.7	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.188	28%	0.283	C	S	.	.			trans	-83.8	137.5	168.1	-70.6	176.2	0	0	0	110	S552 L562 V590 G657 Y665 V681	S552-L560 PolarHBondContact OG-O 2.77Å; L560-L562 HydrophobicContact CB-CD2 3.93Å; L560-L562 HydrophobicContact CB-CG 4.21Å; L560-L562 PolarHBondContact O-N 3.18Å; L560-V590 HydrophobicContact CD1-CG2 4.4Å; L560-G657 PolarHBondContact N-O 3.39Å; L560-G657 WeakPolarHBondContact O-CA 3.01Å; L560-Y665 HydrophobicContact CB-CD1 4.45Å; L560-Y665 HydrophobicContact CD1-CD1 4Å; L560-Y665 HydrophobicContact CD1-CD2 3.59Å; L560-Y665 HydrophobicContact CD1-CE1 3.79Å; L560-Y665 HydrophobicContact CD1-CE2 3.4Å; L560-Y665 HydrophobicContact CD1-CG 3.88Å; L560-Y665 VanDerWaalsContact CD1-CZ 3.47Å; L560-Y665 HydrophobicContact CG-CD1 4.01Å; L560-Y665 HydrophobicContact CG-CD2 4.47Å; L560-Y665 HydrophobicContact CG-CE1 3.67Å; L560-Y665 HydrophobicContact CG-CE2 4.21Å; L560-Y665 HydrophobicContact CG-CG 4.37Å; L560-V681 HydrophobicContact CD1-CG2 4.19Å
561	R	89.4	Confident	84.4	Confident	97 Å²	97	49.7 Å²	49.7	37%	0.366	27%	0.269	S	S	.	.			trans	-75.2	112.9	169.6	-62.8	-171.5	69.7	-162.6	1.6	109.1	C551 S552 C591	C551-R561 HydrophobicContact CB-CB 4.46Å; S552-R561 PolarHBondContact O-NE 3.06Å; R561-C591 HydrophobicContact CB-CB 4.13Å; R561-C591 WeakPolarHBondContact O-CB 3.02Å; R561-C591 PolarHBondContact O-N 2.93Å
562	L	89.8	Confident	84.1	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138	-176.8	-59.3	-177.8	0	0	0	109.9	S552 L560 L589 V590 V667 V681	S552-L562 WeakPolarHBondContact CB-O 3.47Å; S552-L562 PolarHBondContact N-O 3.4Å; S552-L562 PolarHBondContact OG-N 2.67Å; S552-L562 PolarHBondContact OG-O 3.28Å; L560-L562 HydrophobicContact CB-CD2 3.93Å; L560-L562 HydrophobicContact CB-CG 4.21Å; L560-L562 PolarHBondContact O-N 3.18Å; L562-L589 CarbonylContact C-O 3.6Å; L562-L589 WeakPolarHBondContact CA-O 3.38Å; L562-V590 HydrophobicContact CD2-CB 4.41Å; L562-V590 HydrophobicContact CD2-CG2 3.72Å; L562-V667 HydrophobicContact CD1-CG2 3.73Å; L562-V681 HydrophobicContact CD1-CB 4.21Å; L562-V681 HydrophobicContact CD1-CG2 3.99Å; L562-V681 HydrophobicContact CD2-CG2 3.85Å
563	R	87.9	Confident	83.8	Confident	74 Å²	74	51 Å²	51	28%	0.279	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.6	157.2	75.4	170.4	78.6	89.6	4.4	108.3	L546 S549 G588 L589	L546-R563 HydrophobicContact CD2-CG 4.49Å; S549-R563 WeakPolarHBondContact OG-CB 3.43Å; R563-G588 CarbonylContact O-C 3.44Å; R563-G588 WeakPolarHBondContact O-CA 3.4Å; R563-L589 HydrophobicContact CG-CB 3.67Å; R563-L589 HydrophobicContact CG-CD1 4.26Å; R563-L589 HydrophobicContact CG-CG 4.26Å; R563-L589 PolarHBondContact N-O 2.04Å; R563-L589 PolarHBondContact O-N 2.83Å
564	K	84.8	Confident	83.8	Confident	83 Å²	83	47 Å²	47	36%	0.361	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.6	-179.2	179.1	173.5	61.7	-150.6	0	110.3	S549 V566 D656 V667 A668	S549-K564 PolarHBondContact OG-O 3.04Å; S549-K564 VanDerWaalsContact OG-O 3.08Å; K564-V566 HydrophobicContact CD-CG2 4.03Å; K564-V566 HydrophobicContact CG-CG2 3.95Å; K564-D656 IonicContact NZ-OD2 2.73Å; K564-D656 PolarHBondContact NZ-OD2 3.37Å; K564-V667 HydrophobicContact CD-CG1 4.5Å; K564-V667 HydrophobicContact CG-CG1 4.3Å; K564-A668 HydrophobicContact CD-CB 4Å
565	E	87.5	Confident	83.8	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.6	162.5	-69.6	-177	175.6	0	0	109.4	W543 L546 V586 R587 L589	W543-E565 HydrophobicContact CE3-CB 3.92Å; W543-E565 WeakPolarHBondContact CZ3-O 3.39Å; L546-E565 WeakPolarHBondContact CD2-OE1 3.38Å; E565-V586 WeakPolarHBondContact O-CA 3.43Å; E565-R587 HydrophobicContact CB-CG 4Å; E565-R587 PolarHBondContact N-O 2.81Å; E565-R587 PolarHBondContact O-N 3.3Å; E565-R587 IonicContact OE2-CZ 2.65Å; E565-R587 IonicContact OE2-NE 2.79Å; E565-R587 PolarHBondContact OE2-NE 3.2Å; E565-R587 IonicContact OE2-NH2 3.56Å; E565-R587 PolarHBondContact OE2-NH2 3.02Å; E565-L589 HydrophobicContact CG-CD1 4.37Å; E565-L589 WeakPolarHBondContact OE1-CD1 3.35Å
566	V	83.8	Confident	83.6	Confident	55 Å²	55	45.3 Å²	45.3	33%	0.333	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.9	-177.3	-173.6	0	0	0	0	108.7	S544 K564 A585 V586	S544-V566 VanDerWaalsContact CB-O 3.29Å; S544-V566 WeakPolarHBondContact CB-O 3.18Å; S544-V566 PolarHBondContact N-O 3.19Å; S544-V566 PolarHBondContact OG-N 3.18Å; S544-V566 PolarHBondContact OG-O 3.4Å; K564-V566 HydrophobicContact CD-CG2 4.03Å; K564-V566 HydrophobicContact CG-CG2 3.95Å; V566-A585 CarbonylContact C-O 3.56Å; V566-A585 WeakPolarHBondContact CA-O 3.38Å; V566-V586 HydrophobicContact CG1-CG1 4.25Å; V566-V586 HydrophobicContact CG2-CG1 4.11Å
567	R	85.3	Confident	83	Confident	26 Å²	26	46.8 Å²	46.8	10%	0.098	26%	0.258	C	S	.	.			trans	-133.3	161.4	169.5	60.8	177.5	-177.7	-176	-0	109	W540 W543 S584 A585 E687	W540-R567 VanDerWaalsContact CD1-CZ 3.42Å; W540-R567 VanDerWaalsContact CD2-CD 3.49Å; W540-R567 HydrophobicContact CD2-CG 3.95Å; W540-R567 VanDerWaalsContact CE2-CZ 3.42Å; W540-R567 HydrophobicContact CE3-CB 4.18Å; W540-R567 HydrophobicContact CE3-CG 3.45Å; W540-R567 VanDerWaalsContact CE3-CG 3.45Å; W540-R567 HydrophobicContact CZ3-CG 3.86Å; W540-R567 VanDerWaalsContact NE1-CZ 3.26Å; W540-R567 VanDerWaalsContact NE1-NH2 3.17Å; W543-R567 HydrophobicContact CD2-CB 4.16Å; W543-R567 HydrophobicContact CD2-CG 4.11Å; W543-R567 HydrophobicContact CE3-CB 3.83Å; W543-R567 HydrophobicContact CE3-CG 3.72Å; W543-R567 HydrophobicContact CH2-CG 3.76Å; W543-R567 VanDerWaalsContact CH2-NE 3.35Å; W543-R567 VanDerWaalsContact CZ2-CD 3.45Å; W543-R567 HydrophobicContact CZ2-CG 4.15Å; W543-R567 VanDerWaalsContact CZ2-NE 3.28Å; W543-R567 HydrophobicContact CZ3-CB 4.14Å; W543-R567 HydrophobicContact CZ3-CG 3.53Å; R567-S584 PolarHBondContact NE-O 3.15Å; R567-S584 PolarHBondContact NH2-O 3.29Å; R567-A585 PolarHBondContact N-O 3.01Å; R567-E687 IonicContact CZ-OE1 2.8Å; R567-E687 IonicContact NH2-OE1 2.68Å; R567-E687 PolarHBondContact NH2-OE1 3Å
568	M	77.9	Confident	82.8	Confident	112 Å²	112	42 Å²	42	55%	0.552	24%	0.242	S	C	*	.			trans	-120	140.5	-179.6	-64.9	176.3	179.7	0	0	109.8	N541 S570	N541-M568 PolarHBondContact N-O 2.9Å; N541-M568 PolarHBondContact OD1-O 3.44Å; M568-S570 WeakPolarHBondContact CB-OG 3.29Å; M568-S570 PolarHBondContact O-N 3.04Å
569	C	76.5	Confident	82.6	Confident	31 Å²	31	47.8 Å²	47.8	21%	0.209	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-81.8	70.8	176.9	-175.5	0	0	0	0	108.3	Q539 W540 P573 P574 C581	Q539-C569 CarbonylContact O-C 3.59Å; W540-C569 HydrophobicContact CE3-CB 3.94Å; W540-C569 HydrophobicContact CH2-CB 4.09Å; W540-C569 HydrophobicContact CZ3-CB 3.69Å; W540-C569 VanDerWaalsContact CZ3-N 3.35Å; C569-P573 WeakPolarHBondContact O-CA 3.45Å; C569-P574 VanDerWaalsContact SG-CD 3.55Å; C569-C581 WeakPolarHBondContact CA-SG 3.48Å; C569-C581 HydrophobicContact CB-CB 3.82Å; C569-C581 WeakPolarHBondContact CB-SG 3.5Å; C569-C581 WeakPolarHBondContact SG-CB 3.36Å; C569-C581 CovalentContact SG-SG 2.01Å; C569-C581 PolarHBondContact SG-SG 2.89Å
570	S	73	Confident	82.3	Confident	50 Å²	50	52 Å²	52	35%	0.35	29%	0.286	S	S	.	.			trans	-140.9	9.3	-165.7	57.4	0	0	0	0	114.5	Q539 N541 M568	Q539-S570 PolarHBondContact O-N 3.4Å; Q539-S570 VanDerWaalsContact O-N 3.13Å; N541-S570 PolarHBondContact ND2-OG 2.76Å; N541-S570 PolarHBondContact OD1-OG 2.67Å; M568-S570 WeakPolarHBondContact CB-OG 3.29Å; M568-S570 PolarHBondContact O-N 3.04Å
571	S	73.3	Confident	82.1	Confident	64 Å²	64	50.9 Å²	50.9	45%	0.448	28%	0.282	S	S	.	.	S	Bend	trans	-128.1	61	-179.8	-70.8	0	0	0	0	114	Q539 N541	Q539-S571 WeakPolarHBondContact CB-O 3.01Å; Q539-S571 PolarHBondContact O-N 2.63Å; Q539-S571 PolarHBondContact OE1-O 3.08Å; N541-S571 WeakPolarHBondContact OD1-CB 3.34Å; N541-S571 PolarHBondContact OD1-N 2.82Å; N541-S571 PolarHBondContact OD1-OG 3.4Å
572	P	77.6	Confident	81.8	Confident	45 Å²	45	49.9 Å²	49.9	29%	0.292	29%	0.294	S	S	.	.	S	Bend	cis	-92.1	167.7	2.5	35.2	-35.6	0	0	0	113.5	V536 G538 Q539	V536-P572 HydrophobicContact CG1-CB 3.87Å; V536-P572 HydrophobicContact CG1-CG 3.39Å; G538-P572 WeakPolarHBondContact CA-O 3.5Å; Q539-P572 PolarHBondContact N-O 2.79Å
573	P	76.4	Confident	81.6	Confident	32 Å²	32	51.6 Å²	51.6	21%	0.208	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-69.8	151.9	168.6	29.8	-33.9	0	0	0	111.8	T462 C569 N575	T462-P573 HydrophobicContact CG2-CB 4.49Å; C569-P573 WeakPolarHBondContact O-CA 3.45Å; P573-N575 PolarHBondContact O-N 3.08Å
574	P	82.2	Confident	81.6	Confident	28 Å²	28	48.7 Å²	48.7	18%	0.182	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63	126.3	175.8	-10	22.1	0	0	0	110.4	T462 V536 C569	T462-P574 VanDerWaalsContact CG2-O 3.24Å; T462-P574 WeakPolarHBondContact CG2-O 2.97Å; V536-P574 WeakPolarHBondContact O-CA 3.4Å; C569-P574 VanDerWaalsContact SG-CD 3.55Å
575	N	83.2	Confident	81.6	Confident	26 Å²	26	46.7 Å²	46.7	14%	0.139	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-145.3	160.3	-176.7	-162.3	4.2	0	0	0	111.8	Q459 T462 V536 P573 G577 G578	Q459-N575 PolarHBondContact O-ND2 3.27Å; T462-N575 HydrophobicContact CG2-CB 3.72Å; V536-N575 HydrophobicContact CB-CB 4.13Å; V536-N575 PolarHBondContact N-O 3.07Å; V536-N575 PolarHBondContact O-N 3.21Å; P573-N575 PolarHBondContact O-N 3.08Å; N575-G577 PolarHBondContact O-N 3.15Å; N575-G577 VanDerWaalsContact O-N 3.13Å; N575-G578 PolarHBondContact O-N 2.75Å
576	N	82.9	Confident	81.6	Confident	20 Å²	20	46.8 Å²	46.8	11%	0.107	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	37	177.4	-60.6	-44	0	0	0	114.1	P533 V534 A535	P533-N576 HydrophobicContact CB-CB 4Å; V534-N576 WeakPolarHBondContact O-CB 3.15Å; A535-N576 WeakPolarHBondContact CA-O 3.47Å
577	G	77.9	Confident	82	Confident	31 Å²	31	45.3 Å²	45.3	32%	0.32	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	11.7	-178.4	0	0	0	0	0	115.4	W512 N575	W512-G577 VanDerWaalsContact CD2-CA 3.49Å; W512-G577 VanDerWaalsContact CE2-CA 3.41Å; N575-G577 PolarHBondContact O-N 3.15Å; N575-G577 VanDerWaalsContact O-N 3.13Å
578	G	83	Confident	82.2	Confident	16 Å²	16	44.1 Å²	44.1	17%	0.165	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.1	158	172.6	0	0	0	0	0	113.6	V536 D537 N575	V536-G578 WeakPolarHBondContact O-CA 3.29Å; D537-G578 WeakPolarHBondContact OD1-CA 2.97Å; N575-G578 PolarHBondContact O-N 2.75Å
579	K	83	Confident	82.8	Confident	156 Å²	156	39.3 Å²	39.3	68%	0.678	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-65.4	139.7	179.2	-65.3	172.4	-175.6	167.1	0	110.2	D537 G538	D537-K579 HydrophobicContact CB-CB 4.5Å; D537-K579 PolarHBondContact OD1-N 2.95Å; G538-K579 PolarHBondContact N-O 3.23Å
580	S	83	Confident	83.3	Confident	96 Å²	96	39.7 Å²	39.7	67%	0.671	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-66.5	156.2	170	-165.7	0	0	0	0	110.7	A582	S580-A582 PolarHBondContact O-N 2.92Å
581	C	84.7	Confident	83.9	Confident	13 Å²	13	38 Å²	38	9%	0.088	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-61.1	131.1	179.8	-68.5	0	0	0	0	111.7	G538 Q539 W540 C569	G538-C581 PolarHBondContact O-SG 3.11Å; G538-C581 VanDerWaalsContact O-SG 3.41Å; Q539-C581 PolarHBondContact N-SG 3.39Å; W540-C581 HydrophobicContact CD2-CB 3.82Å; W540-C581 HydrophobicContact CE3-CB 4.44Å; W540-C581 HydrophobicContact CG-CB 4.28Å; W540-C581 HydrophobicContact CH2-CB 4.07Å; W540-C581 HydrophobicContact CZ2-CB 3.4Å; W540-C581 VanDerWaalsContact CZ2-CB 3.4Å; C569-C581 WeakPolarHBondContact CA-SG 3.48Å; C569-C581 HydrophobicContact CB-CB 3.82Å; C569-C581 WeakPolarHBondContact CB-SG 3.5Å; C569-C581 WeakPolarHBondContact SG-CB 3.36Å; C569-C581 CovalentContact SG-SG 2.01Å; C569-C581 PolarHBondContact SG-SG 2.89Å
582	A	83.7	Confident	84	Confident	75 Å²	75	46.6 Å²	46.6	62%	0.62	28%	0.276	S	S	*	.	S	Bend	trans	-69.6	132.7	176.3	0	0	0	0	0	111.5	W540 S580	W540-A582 PolarHBondContact NE1-O 2.87Å; S580-A582 PolarHBondContact O-N 2.92Å
583	G	86.1	Confident	83.4	Confident	38 Å²	38	47 Å²	47	39%	0.392	29%	0.287	S	S	.	.	S	Bend	trans	94.2	-160.5	177.6	0	0	0	0	0	114.2	S683 E687	G583-S683 VanDerWaalsContact CA-OG 3.26Å; G583-S683 WeakPolarHBondContact CA-OG 3.47Å; G583-E687 WeakPolarHBondContact CA-OE1 3.04Å
584	S	87.2	Confident	82.6	Confident	13 Å²	13	54.5 Å²	54.5	9%	0.091	32%	0.32	C	S	.	.			trans	-103.8	146.8	-173.4	175	0	0	0	0	112.1	R567 V586 S683 E687	R567-S584 PolarHBondContact NE-O 3.15Å; R567-S584 PolarHBondContact NH2-O 3.29Å; S584-V586 WeakPolarHBondContact CB-O 3.48Å; S584-V586 PolarHBondContact O-N 2.91Å; S584-V586 PolarHBondContact OG-N 2.02Å; S584-V586 VanDerWaalsContact OG-N 3.12Å; S584-V586 PolarHBondContact OG-O 3.36Å; S584-S683 PolarHBondContact N-OG 2.94Å; S584-S683 VanDerWaalsContact N-OG 3.11Å; S584-E687 PolarHBondContact N-OE1 2.88Å
585	A	85.4	Confident	81.5	Confident	42 Å²	42	58.1 Å²	58.1	35%	0.347	35%	0.346	S	S	.	.	S	Bend	trans	-70.8	-14	171.4	0	0	0	0	0	112.9	W540 V566 R567	W540-A585 VanDerWaalsContact CH2-CA 3.48Å; W540-A585 HydrophobicContact CH2-CB 3.76Å; W540-A585 HydrophobicContact CZ3-CB 3.82Å; V566-A585 CarbonylContact C-O 3.56Å; V566-A585 WeakPolarHBondContact CA-O 3.38Å; R567-A585 PolarHBondContact N-O 3.01Å
586	V	87.6	Confident	80.8	Confident	14 Å²	14	63.1 Å²	63.1	9%	0.085	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.3	-178	-59.1	0	0	0	0	111	E565 V566 S584 V667 A668 L672	E565-V586 WeakPolarHBondContact O-CA 3.43Å; V566-V586 HydrophobicContact CG1-CG1 4.25Å; V566-V586 HydrophobicContact CG2-CG1 4.11Å; S584-V586 WeakPolarHBondContact CB-O 3.48Å; S584-V586 PolarHBondContact O-N 2.91Å; S584-V586 PolarHBondContact OG-N 2.02Å; S584-V586 VanDerWaalsContact OG-N 3.12Å; S584-V586 PolarHBondContact OG-O 3.36Å; V586-V667 HydrophobicContact CB-CG1 4.06Å; V586-V667 HydrophobicContact CG2-CB 4.25Å; V586-V667 HydrophobicContact CG2-CG1 3.94Å; V586-A668 HydrophobicContact CB-CB 4.25Å; V586-A668 HydrophobicContact CG1-CB 3.82Å; V586-A668 HydrophobicContact CG2-CB 4.06Å; V586-L672 HydrophobicContact CG2-CD1 4.33Å; V586-L672 WeakPolarHBondContact O-CD1 3.27Å
587	R	91.1	Very high	80.6	Confident	24 Å²	24	62.3 Å²	62.3	9%	0.091	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.5	167.3	69.9	179.5	-180	-178.6	-0	110.8	W543 E565 V682 E687	W543-R587 HydrophobicContact CD2-CG 4.25Å; W543-R587 HydrophobicContact CE3-CG 3.89Å; W543-R587 HydrophobicContact CH2-CB 3.72Å; W543-R587 HydrophobicContact CH2-CG 3.64Å; W543-R587 HydrophobicContact CZ2-CB 4.27Å; W543-R587 HydrophobicContact CZ2-CG 3.99Å; W543-R587 HydrophobicContact CZ3-CB 4Å; W543-R587 HydrophobicContact CZ3-CG 3.59Å; E565-R587 HydrophobicContact CB-CG 4Å; E565-R587 PolarHBondContact N-O 2.81Å; E565-R587 PolarHBondContact O-N 3.3Å; E565-R587 IonicContact OE2-CZ 2.65Å; E565-R587 IonicContact OE2-NE 2.79Å; E565-R587 PolarHBondContact OE2-NE 3.2Å; E565-R587 IonicContact OE2-NH2 3.56Å; E565-R587 PolarHBondContact OE2-NH2 3.02Å; R587-V682 HydrophobicContact CB-CG1 3.8Å; R587-E687 PolarHBondContact NH1-O 3.19Å
588	G	90.6	Very high	80.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.1	173.6	0	0	0	0	0	110.3	R563 A680 V681	R563-G588 CarbonylContact O-C 3.44Å; R563-G588 WeakPolarHBondContact O-CA 3.4Å; G588-A680 CarbonylContact O-C 3.51Å; G588-A680 WeakPolarHBondContact O-CA 3.22Å; G588-V681 PolarHBondContact N-O 3.43Å; G588-V681 PolarHBondContact O-N 2.75Å
589	L	89.9	Confident	80.6	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.063	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.2	171.4	-49.6	175.5	0	0	0	108.7	L562 R563 E565 C591 A680 P689	L562-L589 CarbonylContact C-O 3.6Å; L562-L589 WeakPolarHBondContact CA-O 3.38Å; R563-L589 HydrophobicContact CG-CB 3.67Å; R563-L589 HydrophobicContact CG-CD1 4.26Å; R563-L589 HydrophobicContact CG-CG 4.26Å; R563-L589 PolarHBondContact N-O 2.04Å; R563-L589 PolarHBondContact O-N 2.83Å; E565-L589 HydrophobicContact CG-CD1 4.37Å; E565-L589 WeakPolarHBondContact OE1-CD1 3.35Å; L589-C591 PolarHBondContact O-N 2.78Å; L589-A680 HydrophobicContact CD2-CB 3.83Å; L589-P689 HydrophobicContact CD2-CB 4.43Å; L589-P689 HydrophobicContact CD2-CG 3.98Å
590	V	88.6	Confident	80.8	Confident	39 Å²	39	63.9 Å²	63.9	24%	0.236	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.9	-177.6	-179.4	0	0	0	0	109.4	L560 L562 G678 E679	L560-V590 HydrophobicContact CD1-CG2 4.4Å; L562-V590 HydrophobicContact CD2-CB 4.41Å; L562-V590 HydrophobicContact CD2-CG2 3.72Å; V590-G678 VanDerWaalsContact CG2-O 3.31Å; V590-G678 WeakPolarHBondContact CG2-O 3.31Å; V590-E679 WeakPolarHBondContact CB-O 3.22Å; V590-E679 PolarHBondContact N-O 3.41Å
591	C	85.3	Confident	81.2	Confident	14 Å²	14	61.4 Å²	61.4	10%	0.095	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-78.2	137.6	175.3	-72.1	0	0	0	0	110.7	C551 R561 L589 G593	C551-C591 HydrophobicContact CB-CB 3.86Å; C551-C591 WeakPolarHBondContact CB-SG 3.18Å; C551-C591 WeakPolarHBondContact SG-CB 3.33Å; C551-C591 CovalentContact SG-SG 2.02Å; C551-C591 PolarHBondContact SG-SG 3.46Å; R561-C591 HydrophobicContact CB-CB 4.13Å; R561-C591 WeakPolarHBondContact O-CB 3.02Å; R561-C591 PolarHBondContact O-N 2.93Å; L589-C591 PolarHBondContact O-N 2.78Å; C591-G593 PolarHBondContact O-N 3.35Å
592	R	73.9	Confident	81.4	Confident	245 Å²	245	61.9 Å²	61.9	93%	0.925	36%	0.356	S	S	*	.	S	Bend	trans	-79.9	116.3	176.4	-145.4	-179.2	-75.7	159.1	-6.4	108.5
593	G	67	Low	81.8	Confident	52 Å²	52	65.3 Å²	65.3	54%	0.536	35%	0.353	S	S	.	.	S	Bend	trans	163.2	167.6	-175.8	0	0	0	0	0	111.5	C591 S595	C591-G593 PolarHBondContact O-N 3.35Å; G593-S595 PolarHBondContact O-N 2.92Å
594	E	59.6	Low	82.1	Confident	191 Å²	191	68.7 Å²	68.7	89%	0.893	36%	0.358	S	S	*	.			trans	-44.3	133.7	-174.5	-96.2	169.3	158	0	0	114.1
595	S	58.1	Low	82.3	Confident	103 Å²	103	68.9 Å²	68.9	72%	0.72	36%	0.357	S	S	*	.			trans	-99.9	0	-150.9	51.4	0	0	0	0	116.5	G593	G593-S595 PolarHBondContact O-N 2.92Å
596	D	68.7	Low	82.6	Confident	131 Å²	131	66.9 Å²	66.9	70%	0.701	34%	0.341	S	S	*	.			trans	-124	98.1	-179.1	-98.1	-32.9	0	0	0	112.1	D598	D596-D598 PolarHBondContact O-N 3.17Å
597	C	78.3	Confident	82.9	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.027	35%	0.346	C	S	.	.			trans	-68	109	161	-66.4	0	0	0	0	108.7	C554 V556 K557 G558 A559	C554-C597 WeakPolarHBondContact CA-SG 3.34Å; C554-C597 HydrophobicContact CB-CB 4.2Å; C554-C597 WeakPolarHBondContact CB-SG 3.45Å; C554-C597 WeakPolarHBondContact SG-CA 3.44Å; C554-C597 WeakPolarHBondContact SG-CB 3.31Å; C554-C597 CovalentContact SG-SG 2.03Å; C554-C597 PolarHBondContact SG-SG 3.13Å; V556-C597 WeakPolarHBondContact O-CB 3.21Å; K557-C597 CarbonylContact C-O 3.59Å; K557-C597 WeakPolarHBondContact CA-O 3.27Å; G558-C597 PolarHBondContact N-O 2.92Å; A559-C597 HydrophobicContact CB-CB 4.19Å; A559-C597 PolarHBondContact O-SG 2.92Å; A559-C597 VanDerWaalsContact O-SG 3.34Å
598	D	79.9	Confident	82.9	Confident	103 Å²	103	72.1 Å²	72.1	55%	0.551	36%	0.362	S	S	*	.			trans	-125.7	62.9	177.1	-166.9	10.9	0	0	0	112.5	K557 D596	K557-D598 WeakPolarHBondContact CD-OD1 3.23Å; K557-D598 WeakPolarHBondContact CE-OD1 3.43Å; K557-D598 WeakPolarHBondContact CG-OD1 3.4Å; K557-D598 IonicContact NZ-OD1 3.43Å; K557-D598 PolarHBondContact NZ-OD1 2.81Å; K557-D598 IonicContact NZ-OD2 2.8Å; K557-D598 PolarHBondContact NZ-OD2 3.02Å; D596-D598 PolarHBondContact O-N 3.17Å
599	N	81.1	Confident	83	Confident	99 Å²	99	74.3 Å²	74.3	53%	0.529	37%	0.373	S	S	.	.	S	Bend	trans	-105.2	-94.9	-178.7	-164.5	-11.9	0	0	0	111.2	V555	V555-N599 WeakPolarHBondContact O-CB 3.42Å
600	M	88.2	Confident	83.1	Confident	34 Å²	34	73.7 Å²	73.7	17%	0.167	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-106.2	152.6	177.5	-68.8	162.9	-77.7	0	0	112.5	V555 V556 K557 E604 F605 R608	V555-M600 HydrophobicContact CG1-CE 3.45Å; V555-M600 VanDerWaalsContact CG1-CE 3.45Å; V555-M600 PolarHBondContact O-N 2.92Å; V555-M600 VanDerWaalsContact O-N 3.16Å; V556-M600 CarbonylContact C-O 3.51Å; V556-M600 WeakPolarHBondContact CA-O 3.35Å; K557-M600 PolarHBondContact N-O 3.04Å; M600-E604 HydrophobicContact CB-CB 4.19Å; M600-F605 HydrophobicContact CE-CD2 4.48Å; M600-R608 PolarHBondContact SD-NH1 3.42Å
601	S	90.6	Very high	83.3	Confident	44 Å²	44	74.9 Å²	74.9	31%	0.308	38%	0.375	S	S	.	.			trans	-64.2	157.5	166.9	71.9	0	0	0	0	111.4	R603 E604 F605	S601-R603 PolarHBondContact O-N 3.34Å; S601-E604 VanDerWaalsContact CB-OE2 3.27Å; S601-E604 WeakPolarHBondContact CB-OE2 3.45Å; S601-E604 PolarHBondContact N-OE2 3.08Å; S601-E604 PolarHBondContact O-N 2.97Å; S601-E604 WeakPolarHBondContact OG-CB 3.44Å; S601-E604 WeakPolarHBondContact OG-CG 3.39Å; S601-E604 PolarHBondContact OG-N 3.3Å; S601-E604 PolarHBondContact OG-OE2 3.08Å; S601-F605 PolarHBondContact O-N 3.48Å
602	K	89.7	Confident	83.6	Confident	23 Å²	23	77.7 Å²	77.7	10%	0.1	40%	0.395	C	S	.	.	H	α-helix	trans	-55.5	-40.1	177.1	-171.5	176.2	179.6	171.5	0	112.6	V556 A606 P635 Y654 T658 P659	V556-K602 HydrophobicContact CG1-CB 4.16Å; K602-A606 WeakPolarHBondContact O-CB 3.32Å; K602-A606 PolarHBondContact O-N 2.84Å; K602-A606 VanDerWaalsContact O-N 3.1Å; K602-P635 VanDerWaalsContact CE-O 3.3Å; K602-P635 WeakPolarHBondContact CE-O 3.45Å; K602-P635 PolarHBondContact NZ-O 3.45Å; K602-Y654 HydrophobicContact CB-CE1 4.44Å; K602-Y654 HydrophobicContact CD-CE1 4.21Å; K602-Y654 HydrophobicContact CG-CD1 4.01Å; K602-Y654 HydrophobicContact CG-CE1 3.29Å; K602-Y654 HydrophobicContact CG-CE2 4.35Å; K602-Y654 VanDerWaalsContact CG-CZ 3.49Å; K602-Y654 WeakPolarHBondContact O-CE1 3.4Å; K602-T658 HydrophobicContact CD-CG2 4.3Å; K602-T658 HydrophobicContact CG-CG2 4.38Å; K602-P659 PolarHBondContact NZ-O 2.68Å
603	R	90.7	Very high	84.3	Confident	147 Å²	147	68.2 Å²	68.2	56%	0.555	36%	0.362	S	S	*	.	H	α-helix	trans	-68.9	-42.2	179.3	-175.9	-179.2	175.8	96.5	-3	112	S601 A606 N607	S601-R603 PolarHBondContact O-N 3.34Å; R603-A606 PolarHBondContact O-N 2.94Å; R603-N607 WeakPolarHBondContact O-CB 3.47Å; R603-N607 PolarHBondContact O-N 3.45Å; R603-N607 PolarHBondContact O-OD1 2.8Å
604	E	92	Very high	85.4	Confident	108 Å²	108	68.8 Å²	68.8	51%	0.505	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-45.6	177.2	-74.2	160	158.3	0	0	111.3	M600 S601 A606 N607 R608	M600-E604 HydrophobicContact CB-CB 4.19Å; S601-E604 VanDerWaalsContact CB-OE2 3.27Å; S601-E604 WeakPolarHBondContact CB-OE2 3.45Å; S601-E604 PolarHBondContact N-OE2 3.08Å; S601-E604 PolarHBondContact O-N 2.97Å; S601-E604 WeakPolarHBondContact OG-CB 3.44Å; S601-E604 WeakPolarHBondContact OG-CG 3.39Å; S601-E604 PolarHBondContact OG-N 3.3Å; S601-E604 PolarHBondContact OG-OE2 3.08Å; E604-A606 VanDerWaalsContact C-N 3.34Å; E604-A606 PolarHBondContact O-N 3.26Å; E604-N607 PolarHBondContact O-N 3.44Å; E604-R608 WeakPolarHBondContact O-CB 3.45Å; E604-R608 PolarHBondContact O-N 2.91Å
605	F	92.3	Very high	86.8	Confident	17 Å²	17	64.1 Å²	64.1	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-57.6	-47.7	175.9	-179.6	-91.3	0	0	0	111.6	V555 V556 M600 S601 R608 I609 I638 Y654 P655	V555-F605 HydrophobicContact CB-CE2 4.44Å; V555-F605 HydrophobicContact CG1-CD2 3.7Å; V555-F605 HydrophobicContact CG1-CE2 3.72Å; V556-F605 HydrophobicContact CG2-CB 4.16Å; V556-F605 HydrophobicContact CG2-CD1 4.4Å; V556-F605 HydrophobicContact CG2-CD2 4.19Å; V556-F605 HydrophobicContact CG2-CG 3.99Å; M600-F605 HydrophobicContact CE-CD2 4.48Å; S601-F605 PolarHBondContact O-N 3.48Å; F605-R608 WeakPolarHBondContact O-CB 3.39Å; F605-R608 PolarHBondContact O-N 2.86Å; F605-I609 HydrophobicContact CD1-CG1 4.4Å; F605-I609 HydrophobicContact CE1-CG1 3.99Å; F605-I609 HydrophobicContact CZ-CD1 4.36Å; F605-I609 HydrophobicContact CZ-CG1 4.27Å; F605-I609 WeakPolarHBondContact O-CG1 3.34Å; F605-I609 PolarHBondContact O-N 3.14Å; F605-I609 VanDerWaalsContact O-N 3.12Å; F605-I638 HydrophobicContact CD1-CD1 4.28Å; F605-I638 HydrophobicContact CE1-CD1 3.86Å; F605-Y654 AromaticContact CD1-CD1 3.83Å; F605-Y654 HydrophobicContact CD1-CD1 3.83Å; F605-Y654 HydrophobicContact CD1-CE1 4Å; F605-Y654 HydrophobicContact CE1-CD1 4.24Å; F605-P655 HydrophobicContact CE1-CG 4.15Å; F605-P655 HydrophobicContact CE2-CG 4.12Å; F605-P655 HydrophobicContact CZ-CG 3.67Å
606	A	91.8	Very high	88.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-41.8	-180	0	0	0	0	0	113	K602 R603 E604 R608 I609 C610 S628 I638 Y654	K602-A606 WeakPolarHBondContact O-CB 3.32Å; K602-A606 PolarHBondContact O-N 2.84Å; K602-A606 VanDerWaalsContact O-N 3.1Å; R603-A606 PolarHBondContact O-N 2.94Å; E604-A606 VanDerWaalsContact C-N 3.34Å; E604-A606 PolarHBondContact O-N 3.26Å; A606-R608 VanDerWaalsContact C-N 3.29Å; A606-R608 PolarHBondContact O-N 3.42Å; A606-I609 PolarHBondContact O-N 2.99Å; A606-C610 PolarHBondContact O-N 2.9Å; A606-C610 PolarHBondContact O-SG 3.42Å; A606-S628 VanDerWaalsContact CB-CB 3.44Å; A606-S628 WeakPolarHBondContact CB-OG 3.33Å; A606-I638 HydrophobicContact CB-CG2 4Å; A606-Y654 HydrophobicContact CB-CE1 4.02Å; A606-Y654 VanDerWaalsContact CB-OH 3.25Å; A606-Y654 WeakPolarHBondContact CB-OH 3.12Å
607	N	93.7	Very high	88.8	Confident	35 Å²	35	61.6 Å²	61.6	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-42.1	173.3	-71.8	-6.9	0	0	0	111.1	R603 E604 I609 C610 L611 S628	R603-N607 WeakPolarHBondContact O-CB 3.47Å; R603-N607 PolarHBondContact O-N 3.45Å; R603-N607 PolarHBondContact O-OD1 2.8Å; E604-N607 PolarHBondContact O-N 3.44Å; N607-I609 VanDerWaalsContact C-N 3.33Å; N607-I609 PolarHBondContact O-N 3.24Å; N607-C610 PolarHBondContact O-N 2.94Å; N607-L611 WeakPolarHBondContact O-CB 3.26Å; N607-L611 VanDerWaalsContact O-CG 3.23Å; N607-L611 WeakPolarHBondContact O-CG 3.27Å; N607-L611 PolarHBondContact O-N 3.37Å; N607-S628 VanDerWaalsContact OD1-CB 3.31Å; N607-S628 WeakPolarHBondContact OD1-CB 3.47Å; N607-S628 PolarHBondContact OD1-N 2.94Å; N607-S628 PolarHBondContact OD1-OG 2.91Å
608	R	92.2	Very high	88.9	Confident	113 Å²	113	67.7 Å²	67.7	43%	0.426	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-42.1	177	-174.9	-177.6	66	-176	3.2	112.1	M600 E604 F605 A606 L611 S612	M600-R608 PolarHBondContact SD-NH1 3.42Å; E604-R608 WeakPolarHBondContact O-CB 3.45Å; E604-R608 PolarHBondContact O-N 2.91Å; F605-R608 WeakPolarHBondContact O-CB 3.39Å; F605-R608 PolarHBondContact O-N 2.86Å; A606-R608 VanDerWaalsContact C-N 3.29Å; A606-R608 PolarHBondContact O-N 3.42Å; R608-L611 PolarHBondContact O-N 2.81Å; R608-S612 VanDerWaalsContact O-CB 3.25Å; R608-S612 WeakPolarHBondContact O-CB 3.45Å; R608-S612 PolarHBondContact O-N 3.26Å
609	I	90.7	Very high	88.8	Confident	46 Å²	46	71.2 Å²	71.2	24%	0.236	36%	0.361	C	S	.	.	H	α-helix	trans	-64.5	-46	174.7	-62.5	-61.4	0	0	0	110.8	F605 A606 N607 L611 S612 I613 I638	F605-I609 HydrophobicContact CD1-CG1 4.4Å; F605-I609 HydrophobicContact CE1-CG1 3.99Å; F605-I609 HydrophobicContact CZ-CD1 4.36Å; F605-I609 HydrophobicContact CZ-CG1 4.27Å; F605-I609 WeakPolarHBondContact O-CG1 3.34Å; F605-I609 PolarHBondContact O-N 3.14Å; F605-I609 VanDerWaalsContact O-N 3.12Å; A606-I609 PolarHBondContact O-N 2.99Å; N607-I609 VanDerWaalsContact C-N 3.33Å; N607-I609 PolarHBondContact O-N 3.24Å; I609-L611 VanDerWaalsContact C-N 3.32Å; I609-L611 PolarHBondContact O-N 3.4Å; I609-S612 PolarHBondContact O-N 3.12Å; I609-I613 HydrophobicContact CG2-CD1 3.85Å; I609-I613 WeakPolarHBondContact O-CG1 3.43Å; I609-I613 PolarHBondContact O-N 2.99Å; I609-I613 VanDerWaalsContact O-N 3.08Å; I609-I638 HydrophobicContact CB-CD1 4.18Å; I609-I638 HydrophobicContact CG1-CD1 3.93Å; I609-I638 HydrophobicContact CG2-CD1 4.18Å; I609-I638 HydrophobicContact CG2-CG2 4.43Å
610	C	93.3	Very high	89	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-38	178.1	-62.3	0	0	0	0	112.6	A606 N607 R614 G626 C640	A606-C610 PolarHBondContact O-N 2.9Å; A606-C610 PolarHBondContact O-SG 3.42Å; N607-C610 PolarHBondContact O-N 2.94Å; C610-R614 VanDerWaalsContact O-CB 3.29Å; C610-R614 WeakPolarHBondContact O-CB 3.43Å; C610-R614 PolarHBondContact O-N 3.4Å; C610-R614 VanDerWaalsContact O-N 3.08Å; C610-G626 WeakPolarHBondContact CB-O 3.28Å; C610-C640 VanDerWaalsContact CA-SG 3.53Å; C610-C640 HydrophobicContact CB-CB 3.82Å; C610-C640 WeakPolarHBondContact CB-SG 3.34Å; C610-C640 VanDerWaalsContact SG-CA 3.53Å; C610-C640 WeakPolarHBondContact SG-CB 2.95Å; C610-C640 CovalentContact SG-SG 2.03Å; C610-C640 PolarHBondContact SG-SG 3.26Å
611	L	92.4	Very high	88.8	Confident	64 Å²	64	68.8 Å²	68.8	34%	0.335	35%	0.352	S	S	.	.	H	α-helix	trans	-69.4	-45.3	175.2	-71.8	166.8	0	0	0	111.4	N607 R608 I609 I613 R614 D615	N607-L611 WeakPolarHBondContact O-CB 3.26Å; N607-L611 VanDerWaalsContact O-CG 3.23Å; N607-L611 WeakPolarHBondContact O-CG 3.27Å; N607-L611 PolarHBondContact O-N 3.37Å; R608-L611 PolarHBondContact O-N 2.81Å; I609-L611 VanDerWaalsContact C-N 3.32Å; I609-L611 PolarHBondContact O-N 3.4Å; L611-I613 VanDerWaalsContact C-N 3.25Å; L611-I613 PolarHBondContact O-N 3.09Å; L611-R614 PolarHBondContact O-N 3.14Å; L611-R614 VanDerWaalsContact O-N 3.16Å; L611-D615 WeakPolarHBondContact O-CB 3.45Å; L611-D615 PolarHBondContact O-N 2.83Å
612	S	91.5	Very high	88.6	Confident	73 Å²	73	74.1 Å²	74.1	51%	0.51	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-33.9	178.9	-176.8	0	0	0	0	112.9	R608 I609 D616	R608-S612 VanDerWaalsContact O-CB 3.25Å; R608-S612 WeakPolarHBondContact O-CB 3.45Å; R608-S612 PolarHBondContact O-N 3.26Å; I609-S612 PolarHBondContact O-N 3.12Å; S612-D616 WeakPolarHBondContact O-CA 3.41Å; S612-D616 WeakPolarHBondContact O-CB 3Å; S612-D616 PolarHBondContact O-N 3.36Å; S612-D616 VanDerWaalsContact O-N 3.07Å
613	I	89.2	Confident	88.4	Confident	45 Å²	45	78 Å²	78	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-80.7	-36.1	176.8	-63.1	168	0	0	0	110.8	I609 L611 D615 P620 D621 L624 K651	I609-I613 HydrophobicContact CG2-CD1 3.85Å; I609-I613 WeakPolarHBondContact O-CG1 3.43Å; I609-I613 PolarHBondContact O-N 2.99Å; I609-I613 VanDerWaalsContact O-N 3.08Å; L611-I613 VanDerWaalsContact C-N 3.25Å; L611-I613 PolarHBondContact O-N 3.09Å; I613-D615 VanDerWaalsContact C-N 3.32Å; I613-P620 WeakPolarHBondContact O-CA 3.05Å; I613-D621 HydrophobicContact CG2-CB 3.97Å; I613-D621 PolarHBondContact O-N 2.94Å; I613-L624 HydrophobicContact CB-CD1 4.23Å; I613-L624 HydrophobicContact CG2-CD1 3.92Å; I613-K651 HydrophobicContact CD1-CB 3.75Å; I613-K651 HydrophobicContact CD1-CG 4.45Å
614	R	89	Confident	88.2	Confident	65 Å²	65	71 Å²	71	25%	0.245	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-40.4	174.6	-174.3	-167.6	71.5	178.9	4.5	111.7	C610 L611 P620 L624 T625	C610-R614 VanDerWaalsContact O-CB 3.29Å; C610-R614 WeakPolarHBondContact O-CB 3.43Å; C610-R614 PolarHBondContact O-N 3.4Å; C610-R614 VanDerWaalsContact O-N 3.08Å; L611-R614 PolarHBondContact O-N 3.14Å; L611-R614 VanDerWaalsContact O-N 3.16Å; R614-P620 WeakPolarHBondContact O-CB 3.05Å; R614-L624 HydrophobicContact CB-CB 4.06Å; R614-L624 WeakPolarHBondContact CD-O 3.38Å; R614-L624 HydrophobicContact CG-CB 4.24Å; R614-L624 WeakPolarHBondContact CG-O 3.09Å; R614-T625 PolarHBondContact NH1-O 3.17Å
615	D	90.6	Very high	88	Confident	93 Å²	93	67.8 Å²	67.8	50%	0.497	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	20.3	-173.2	-52.4	-29.6	0	0	0	111.7	L611 I613	L611-D615 WeakPolarHBondContact O-CB 3.45Å; L611-D615 PolarHBondContact O-N 2.83Å; I613-D615 VanDerWaalsContact C-N 3.32Å
616	D	86.6	Confident	87.8	Confident	56 Å²	56	67.1 Å²	67.1	30%	0.299	35%	0.347	S	S	.	.			trans	-60	130.6	178.2	-174	-83.8	0	0	0	110.1	S612 V618 K619 P620	S612-D616 WeakPolarHBondContact O-CA 3.41Å; S612-D616 WeakPolarHBondContact O-CB 3Å; S612-D616 PolarHBondContact O-N 3.36Å; S612-D616 VanDerWaalsContact O-N 3.07Å; D616-V618 VanDerWaalsContact C-N 3.27Å; D616-V618 PolarHBondContact O-N 3.02Å; D616-V618 WeakPolarHBondContact OD1-CA 3.37Å; D616-V618 PolarHBondContact OD1-N 3.29Å; D616-K619 PolarHBondContact OD1-N 3.03Å; D616-P620 WeakPolarHBondContact O-CB 3.23Å; D616-P620 WeakPolarHBondContact O-CD 3.25Å
617	P	80.3	Confident	87.7	Confident	125 Å²	125	73.5 Å²	73.5	81%	0.812	38%	0.375	S	S	*	.	S	Bend	trans	-71.9	-20	-174	27.7	-34.2	0	0	0	113.4
618	V	80.5	Confident	87.5	Confident	132 Å²	132	72.1 Å²	72.1	80%	0.8	37%	0.368	S	S	*	.	S	Bend	trans	-99.2	-47.5	-176.9	-176	0	0	0	0	110.8	D616	D616-V618 VanDerWaalsContact C-N 3.27Å; D616-V618 PolarHBondContact O-N 3.02Å; D616-V618 WeakPolarHBondContact OD1-CA 3.37Å; D616-V618 PolarHBondContact OD1-N 3.29Å
619	K	77.8	Confident	87.3	Confident	177 Å²	177	69.6 Å²	69.6	77%	0.77	36%	0.36	S	S	*	.	S	Bend	trans	-143.7	76.3	-176.9	-165.4	174.3	-177.4	172.6	0	112.2	D616	D616-K619 PolarHBondContact OD1-N 3.03Å
620	P	85.2	Confident	87	Confident	55 Å²	55	72.8 Å²	72.8	36%	0.357	37%	0.374	S	S	.	.			trans	-71.8	132.3	-178.7	25.7	-30	0	0	0	112.6	I613 R614 D616 K622	I613-P620 WeakPolarHBondContact O-CA 3.05Å; R614-P620 WeakPolarHBondContact O-CB 3.05Å; D616-P620 WeakPolarHBondContact O-CB 3.23Å; D616-P620 WeakPolarHBondContact O-CD 3.25Å; P620-K622 HydrophobicContact CB-CG 4.46Å; P620-K622 PolarHBondContact O-N 2.69Å
621	D	84.2	Confident	86.4	Confident	27 Å²	27	74.9 Å²	74.9	14%	0.144	38%	0.384	C	S	.	.			trans	-87.6	82.8	169	-168.4	-16.9	0	0	0	110	I613 E623 L624 R649 K651	I613-D621 HydrophobicContact CG2-CB 3.97Å; I613-D621 PolarHBondContact O-N 2.94Å; D621-E623 PolarHBondContact O-N 3.01Å; D621-E623 VanDerWaalsContact O-N 3.09Å; D621-E623 WeakPolarHBondContact OD1-CB 3.25Å; D621-E623 PolarHBondContact OD1-N 2.94Å; D621-L624 HydrophobicContact CB-CD1 3.95Å; D621-L624 HydrophobicContact CB-CG 4.12Å; D621-L624 WeakPolarHBondContact O-CB 3.38Å; D621-L624 PolarHBondContact O-N 2.79Å; D621-R649 IonicContact OD2-NH1 3.05Å; D621-K651 WeakPolarHBondContact OD2-CE 3.48Å; D621-K651 IonicContact OD2-NZ 2.77Å; D621-K651 PolarHBondContact OD2-NZ 2.99Å
622	K	86.3	Confident	85.8	Confident	156 Å²	156	76.9 Å²	76.9	68%	0.678	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-13	-176.9	-67.2	-175.7	-178.8	178.4	0	113.8	P620 L624 K643	P620-K622 HydrophobicContact CB-CG 4.46Å; P620-K622 PolarHBondContact O-N 2.69Å; K622-L624 PolarHBondContact O-N 2.85Å; K622-K643 VanDerWaalsContact O-CD 3.27Å; K622-K643 WeakPolarHBondContact O-CD 3.27Å; K622-K643 WeakPolarHBondContact O-CE 3.37Å; K622-K643 PolarHBondContact O-NZ 2.74Å
623	E	86.7	Confident	85.1	Confident	105 Å²	105	78.8 Å²	78.8	49%	0.491	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.2	174.4	-60.7	-176.4	169.6	0	0	112.2	D621 L642 K643 R649	D621-E623 PolarHBondContact O-N 3.01Å; D621-E623 VanDerWaalsContact O-N 3.09Å; D621-E623 WeakPolarHBondContact OD1-CB 3.25Å; D621-E623 PolarHBondContact OD1-N 2.94Å; E623-L642 HydrophobicContact CB-CD2 3.83Å; E623-L642 CarbonylContact O-C 3.58Å; E623-L642 VanDerWaalsContact O-CA 3.3Å; E623-L642 WeakPolarHBondContact O-CA 3.5Å; E623-K643 PolarHBondContact O-N 2.89Å; E623-R649 IonicContact OE2-CZ 2.7Å; E623-R649 VanDerWaalsContact OE2-CZ 3.3Å; E623-R649 IonicContact OE2-NH1 2.86Å; E623-R649 PolarHBondContact OE2-NH1 3.37Å; E623-R649 IonicContact OE2-NH2 2.81Å; E623-R649 PolarHBondContact OE2-NH2 3.3Å
624	L	86.4	Confident	84.9	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	141.7	-179.8	-62.9	178.4	0	0	0	111.6	I613 R614 D621 K622 G626 C640 L642 K643 K651	I613-L624 HydrophobicContact CB-CD1 4.23Å; I613-L624 HydrophobicContact CG2-CD1 3.92Å; R614-L624 HydrophobicContact CB-CB 4.06Å; R614-L624 WeakPolarHBondContact CD-O 3.38Å; R614-L624 HydrophobicContact CG-CB 4.24Å; R614-L624 WeakPolarHBondContact CG-O 3.09Å; D621-L624 HydrophobicContact CB-CD1 3.95Å; D621-L624 HydrophobicContact CB-CG 4.12Å; D621-L624 WeakPolarHBondContact O-CB 3.38Å; D621-L624 PolarHBondContact O-N 2.79Å; K622-L624 PolarHBondContact O-N 2.85Å; L624-G626 VanDerWaalsContact C-N 3.32Å; L624-C640 HydrophobicContact CD1-CB 4.38Å; L624-C640 HydrophobicContact CD2-CB 3.64Å; L624-L642 HydrophobicContact CD2-CD2 4.28Å; L624-K643 WeakPolarHBondContact O-CE 3.46Å; L624-K651 HydrophobicContact CD1-CG 4.18Å
625	T	88.1	Confident	84.9	Confident	40 Å²	40	76 Å²	76	25%	0.245	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-23.7	170.4	58.3	0	0	0	0	112.5	R614 K627 Y641 L642 K643	R614-T625 PolarHBondContact NH1-O 3.17Å; T625-K627 VanDerWaalsContact C-N 3.3Å; T625-K627 PolarHBondContact OG1-N 2.98Å; T625-Y641 PolarHBondContact N-O 2.91Å; T625-Y641 WeakPolarHBondContact OG1-CB 3.08Å; T625-Y641 PolarHBondContact OG1-O 3.09Å; T625-L642 WeakPolarHBondContact CG2-O 3.32Å; T625-K643 HydrophobicContact CG2-CB 4.46Å; T625-K643 HydrophobicContact CG2-CG 4.05Å
626	G	87.8	Confident	84.9	Confident	3 Å²	3	71.7 Å²	71.7	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.8	-6.9	-166.4	0	0	0	0	0	114.2	C610 L624	C610-G626 WeakPolarHBondContact CB-O 3.28Å; L624-G626 VanDerWaalsContact C-N 3.32Å
627	K	90	Very high	85	Confident	134 Å²	134	71.7 Å²	71.7	58%	0.583	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.7	174.7	-66.4	179.9	-178.7	173.1	0	110.4	T625 Y641	T625-K627 VanDerWaalsContact C-N 3.3Å; T625-K627 PolarHBondContact OG1-N 2.98Å; K627-Y641 HydrophobicContact CB-CD2 4.06Å; K627-Y641 PolarHBondContact O-N 3.38Å
628	S	89.8	Confident	85.5	Confident	5 Å²	5	65.9 Å²	65.9	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	152.7	176.9	65	0	0	0	0	113.2	A606 N607 W639 Y641	A606-S628 VanDerWaalsContact CB-CB 3.44Å; A606-S628 WeakPolarHBondContact CB-OG 3.33Å; N607-S628 VanDerWaalsContact OD1-CB 3.31Å; N607-S628 WeakPolarHBondContact OD1-CB 3.47Å; N607-S628 PolarHBondContact OD1-N 2.94Å; N607-S628 PolarHBondContact OD1-OG 2.91Å; S628-W639 CarbonylContact C-O 3.52Å; S628-W639 WeakPolarHBondContact CA-O 3.05Å; S628-W639 WeakPolarHBondContact CB-O 3.48Å; S628-Y641 WeakPolarHBondContact O-CE2 3.19Å
629	F	86.4	Confident	85.8	Confident	60 Å²	60	61.7 Å²	61.7	26%	0.263	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.5	169.9	177.3	-109.8	0	0	0	110.2	H631 W639 Y641 I648	F629-H631 HydrophobicContact CD1-CB 4.23Å; F629-H631 HydrophobicContact CE1-CB 4.07Å; F629-H631 AromaticContact CE1-CD2 3.79Å; F629-W639 HydrophobicContact CB-CB 4.14Å; F629-W639 HydrophobicContact CD1-CB 4.37Å; F629-W639 PolarHBondContact N-O 3.03Å; F629-Y641 HydrophobicContact CB-CD2 4.3Å; F629-Y641 HydrophobicContact CB-CE1 4.35Å; F629-Y641 HydrophobicContact CB-CE2 3.76Å; F629-Y641 HydrophobicContact CD2-CE1 4.47Å; F629-Y641 HydrophobicContact CD2-CE2 4.36Å; F629-Y641 AromaticContact CD2-CZ 3.78Å; F629-Y641 WeakPolarHBondContact CD2-OH 3.5Å; F629-I648 HydrophobicContact CB-CG2 3.74Å; F629-I648 HydrophobicContact CD1-CD1 3.37Å; F629-I648 HydrophobicContact CD1-CG2 4.16Å; F629-I648 HydrophobicContact CE1-CD1 3.65Å; F629-I648 HydrophobicContact CG-CD1 4.28Å; F629-I648 HydrophobicContact CG-CG2 4.02Å
630	Q	85.4	Confident	86.4	Confident	113 Å²	113	53.3 Å²	53.3	53%	0.528	27%	0.273	S	S	.	.			trans	-97.1	96.4	176.6	-173.6	165.3	-4.3	0	0	109.8
631	H	81.6	Confident	86.6	Confident	45 Å²	45	53.9 Å²	53.9	21%	0.208	27%	0.269	C	S	.	.			trans	-67.5	127.3	-177.1	-157.4	-76.1	0	0	0	111.7	F629 T633 S634 P635 W639	F629-H631 HydrophobicContact CD1-CB 4.23Å; F629-H631 HydrophobicContact CE1-CB 4.07Å; F629-H631 AromaticContact CE1-CD2 3.79Å; H631-T633 PolarHBondContact CE1-OG1 2.93Å; H631-T633 PolarHBondContact ND1-N 3.3Å; H631-T633 PolarHBondContact ND1-OG1 3.14Å; H631-T633 PolarHBondContact O-N 2.54Å; H631-S634 PolarHBondContact ND1-N 3.37Å; H631-S634 CarbonylContact O-C 3.34Å; H631-P635 WeakPolarHBondContact O-CA 3.41Å; H631-W639 HydrophobicContact CB-CG 4.22Å; H631-W639 VanDerWaalsContact CB-NE1 3.34Å; H631-W639 AromaticContact CD2-CE2 3.94Å; H631-W639 AromaticContact CG-NE1 3.88Å
632	P	79.6	Confident	86.6	Confident	106 Å²	106	53.7 Å²	53.7	69%	0.688	27%	0.267	S	S	*	.	S	Bend	trans	-66.4	-39.6	-175	23.2	-32.2	0	0	0	113
633	T	76.4	Confident	86.4	Confident	112 Å²	112	50.8 Å²	50.8	69%	0.687	26%	0.255	S	S	*	.	S	Bend	trans	-90.5	-18.7	-179.4	61.2	0	0	0	0	114.1	H631 P635	H631-T633 PolarHBondContact CE1-OG1 2.93Å; H631-T633 PolarHBondContact ND1-N 3.3Å; H631-T633 PolarHBondContact ND1-OG1 3.14Å; H631-T633 PolarHBondContact O-N 2.54Å; T633-P635 WeakPolarHBondContact O-CD 3.46Å
634	S	84.1	Confident	86	Confident	36 Å²	36	53.9 Å²	53.9	25%	0.252	28%	0.275	S	S	.	.			trans	-127.5	56.3	-179.6	-76.3	0	0	0	0	111.7	H631 C636 K637 W639	H631-S634 PolarHBondContact ND1-N 3.37Å; H631-S634 CarbonylContact O-C 3.34Å; S634-C636 PolarHBondContact O-N 3.01Å; S634-K637 PolarHBondContact O-N 3.41Å; S634-W639 PolarHBondContact O-NE1 3.09Å
635	P	89.8	Confident	85.5	Confident	16 Å²	16	57 Å²	57	10%	0.104	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.4	-169.8	30.5	-38.8	0	0	0	114.7	K602 H631 T633 Y654 C660 C671	K602-P635 VanDerWaalsContact CE-O 3.3Å; K602-P635 WeakPolarHBondContact CE-O 3.45Å; K602-P635 PolarHBondContact NZ-O 3.45Å; H631-P635 WeakPolarHBondContact O-CA 3.41Å; T633-P635 WeakPolarHBondContact O-CD 3.46Å; P635-Y654 WeakPolarHBondContact O-CD2 3.14Å; P635-Y654 WeakPolarHBondContact O-CE2 3.27Å; P635-C660 HydrophobicContact CB-CB 4.14Å; P635-C660 HydrophobicContact CG-CB 3.86Å; P635-C671 HydrophobicContact CG-CB 4.28Å
636	C	90.3	Very high	84.9	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.014	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-3	179	-68.6	0	0	0	0	113.6	S634 Y654 C660 C666 G669	S634-C636 PolarHBondContact O-N 3.01Å; C636-Y654 PolarHBondContact O-N 3.46Å; C636-C660 VanDerWaalsContact SG-CB 3.58Å; C636-C666 WeakPolarHBondContact CA-SG 3.4Å; C636-C666 HydrophobicContact CB-CB 3.82Å; C636-C666 WeakPolarHBondContact CB-SG 3.5Å; C636-C666 WeakPolarHBondContact SG-CA 3.14Å; C636-C666 WeakPolarHBondContact SG-CB 3.47Å; C636-C666 CovalentContact SG-SG 2.04Å; C636-C666 PolarHBondContact SG-SG 2.8Å; C636-G669 VanDerWaalsContact CB-C 3.47Å; C636-G669 WeakPolarHBondContact CB-O 3.42Å
637	K	88.8	Confident	84.4	Confident	57 Å²	57	68 Å²	68	25%	0.248	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	150	169.4	-62.4	-178.8	-172	173.4	0	110.3	G497 S634 W639 Y654	G497-K637 WeakPolarHBondContact O-CE 3.24Å; G497-K637 PolarHBondContact O-NZ 3.41Å; S634-K637 PolarHBondContact O-N 3.41Å; K637-W639 HydrophobicContact CD-CZ2 4.29Å; K637-Y654 WeakPolarHBondContact O-CE2 3.4Å
638	I	90	Very high	83.8	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116	176.6	-61.7	173.4	0	0	0	108.3	F605 A606 I609 S650 K651 G652 R653 Y654	F605-I638 HydrophobicContact CD1-CD1 4.28Å; F605-I638 HydrophobicContact CE1-CD1 3.86Å; A606-I638 HydrophobicContact CB-CG2 4Å; I609-I638 HydrophobicContact CB-CD1 4.18Å; I609-I638 HydrophobicContact CG1-CD1 3.93Å; I609-I638 HydrophobicContact CG2-CD1 4.18Å; I609-I638 HydrophobicContact CG2-CG2 4.43Å; I638-S650 WeakPolarHBondContact O-CA 3.28Å; I638-K651 PolarHBondContact O-N 2.93Å; I638-G652 PolarHBondContact N-O 3.3Å; I638-R653 WeakPolarHBondContact CD1-O 3.33Å; I638-Y654 HydrophobicContact CG1-CD1 4.4Å; I638-Y654 HydrophobicContact CG1-CD2 4.04Å; I638-Y654 HydrophobicContact CG1-CE1 4.29Å; I638-Y654 HydrophobicContact CG1-CE2 3.92Å; I638-Y654 HydrophobicContact CG1-CG 4.29Å
639	W	88.2	Confident	83.4	Confident	45 Å²	45	68.3 Å²	68.3	17%	0.17	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.1	177.7	-59.5	84.3	0	0	0	109.3	S628 F629 H631 S634 K637 I648 R649	S628-W639 CarbonylContact C-O 3.52Å; S628-W639 WeakPolarHBondContact CA-O 3.05Å; S628-W639 WeakPolarHBondContact CB-O 3.48Å; F629-W639 HydrophobicContact CB-CB 4.14Å; F629-W639 HydrophobicContact CD1-CB 4.37Å; F629-W639 PolarHBondContact N-O 3.03Å; H631-W639 HydrophobicContact CB-CG 4.22Å; H631-W639 VanDerWaalsContact CB-NE1 3.34Å; H631-W639 AromaticContact CD2-CE2 3.94Å; H631-W639 AromaticContact CG-NE1 3.88Å; S634-W639 PolarHBondContact O-NE1 3.09Å; K637-W639 HydrophobicContact CD-CZ2 4.29Å; W639-I648 HydrophobicContact CB-CB 4.4Å; W639-I648 HydrophobicContact CB-CD1 4.46Å; W639-I648 HydrophobicContact CD2-CD1 4.2Å; W639-I648 HydrophobicContact CE3-CB 4.34Å; W639-I648 HydrophobicContact CE3-CD1 3.88Å; W639-I648 HydrophobicContact CE3-CG1 3.99Å; W639-I648 HydrophobicContact CG-CD1 4.47Å; W639-I648 HydrophobicContact CZ3-CD1 4.5Å; W639-R649 WeakPolarHBondContact CA-O 3.29Å
640	C	90.5	Very high	83.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.6	179.2	-56.7	0	0	0	0	109.5	C610 L624 I648 R649 K651	C610-C640 VanDerWaalsContact CA-SG 3.53Å; C610-C640 HydrophobicContact CB-CB 3.82Å; C610-C640 WeakPolarHBondContact CB-SG 3.34Å; C610-C640 VanDerWaalsContact SG-CA 3.53Å; C610-C640 WeakPolarHBondContact SG-CB 2.95Å; C610-C640 CovalentContact SG-SG 2.03Å; C610-C640 PolarHBondContact SG-SG 3.26Å; L624-C640 HydrophobicContact CD1-CB 4.38Å; L624-C640 HydrophobicContact CD2-CB 3.64Å; C640-I648 CarbonylContact O-C 3.56Å; C640-I648 WeakPolarHBondContact O-CA 3.15Å; C640-R649 PolarHBondContact N-O 3.42Å; C640-R649 PolarHBondContact O-N 2.83Å; C640-K651 HydrophobicContact CB-CG 4.45Å
641	Y	88.6	Confident	83.1	Confident	68 Å²	68	65.5 Å²	65.5	27%	0.267	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	137.5	174.5	-76.2	-74.6	0	0	0	111.1	T625 K627 S628 F629 L647 I648	T625-Y641 PolarHBondContact N-O 2.91Å; T625-Y641 WeakPolarHBondContact OG1-CB 3.08Å; T625-Y641 PolarHBondContact OG1-O 3.09Å; K627-Y641 HydrophobicContact CB-CD2 4.06Å; K627-Y641 PolarHBondContact O-N 3.38Å; S628-Y641 WeakPolarHBondContact O-CE2 3.19Å; F629-Y641 HydrophobicContact CB-CD2 4.3Å; F629-Y641 HydrophobicContact CB-CE1 4.35Å; F629-Y641 HydrophobicContact CB-CE2 3.76Å; F629-Y641 HydrophobicContact CD2-CE1 4.47Å; F629-Y641 HydrophobicContact CD2-CE2 4.36Å; F629-Y641 AromaticContact CD2-CZ 3.78Å; F629-Y641 WeakPolarHBondContact CD2-OH 3.5Å; Y641-L647 WeakPolarHBondContact CA-O 3.48Å; Y641-I648 HydrophobicContact CD1-CG2 3.55Å; Y641-I648 HydrophobicContact CE1-CG2 3.65Å; Y641-I648 HydrophobicContact CG-CG2 4.21Å
642	L	84.9	Confident	83.2	Confident	22 Å²	22	64.5 Å²	64.5	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	148.6	169.7	-68.3	163.7	0	0	0	110.1	E623 L624 T625 T645 L647	E623-L642 HydrophobicContact CB-CD2 3.83Å; E623-L642 CarbonylContact O-C 3.58Å; E623-L642 VanDerWaalsContact O-CA 3.3Å; E623-L642 WeakPolarHBondContact O-CA 3.5Å; L624-L642 HydrophobicContact CD2-CD2 4.28Å; T625-L642 WeakPolarHBondContact CG2-O 3.32Å; L642-T645 VanDerWaalsContact CB-OG1 3.31Å; L642-T645 WeakPolarHBondContact CB-OG1 3.46Å; L642-L647 HydrophobicContact CD1-CB 3.76Å; L642-L647 PolarHBondContact N-O 3.46Å
643	K	80.8	Confident	83.6	Confident	96 Å²	96	66.4 Å²	66.4	42%	0.417	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	145.3	178	-77.7	-177.2	-178.4	165.1	0	110	K622 E623 L624 T625 T645	K622-K643 VanDerWaalsContact O-CD 3.27Å; K622-K643 WeakPolarHBondContact O-CD 3.27Å; K622-K643 WeakPolarHBondContact O-CE 3.37Å; K622-K643 PolarHBondContact O-NZ 2.74Å; E623-K643 PolarHBondContact O-N 2.89Å; L624-K643 WeakPolarHBondContact O-CE 3.46Å; T625-K643 HydrophobicContact CG2-CB 4.46Å; T625-K643 HydrophobicContact CG2-CG 4.05Å; K643-T645 PolarHBondContact O-N 2.92Å; K643-T645 PolarHBondContact O-OG1 3.43Å
644	D	79.3	Confident	84.3	Confident	170 Å²	170	61.4 Å²	61.4	91%	0.909	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	16.6	175.5	-49.8	-42.6	0	0	0	115.6
645	T	75.8	Confident	84.5	Confident	66 Å²	66	61.3 Å²	61.3	41%	0.405	30%	0.303	S	S	.	.	S	Bend	trans	-139.5	163.5	179.2	65.7	0	0	0	0	110.7	L642 K643 L647	L642-T645 VanDerWaalsContact CB-OG1 3.31Å; L642-T645 WeakPolarHBondContact CB-OG1 3.46Å; K643-T645 PolarHBondContact O-N 2.92Å; K643-T645 PolarHBondContact O-OG1 3.43Å; T645-L647 VanDerWaalsContact C-N 3.27Å; T645-L647 PolarHBondContact OG1-N 3.16Å
646	L	74.9	Confident	84.5	Confident	161 Å²	161	61.9 Å²	61.9	84%	0.843	31%	0.305	S	S	*	.	S	Bend	trans	-90.7	6.5	169.2	-64.2	174.6	0	0	0	112.1
647	L	76.9	Confident	84.6	Confident	113 Å²	113	61.8 Å²	61.8	59%	0.592	31%	0.305	S	S	*	.			trans	-75.3	150.1	-178.5	-62.8	175.5	0	0	0	110.7	Y641 L642 T645	Y641-L647 WeakPolarHBondContact CA-O 3.48Å; L642-L647 HydrophobicContact CD1-CB 3.76Å; L642-L647 PolarHBondContact N-O 3.46Å; T645-L647 VanDerWaalsContact C-N 3.27Å; T645-L647 PolarHBondContact OG1-N 3.16Å
648	I	79.1	Confident	84.7	Confident	51 Å²	51	59 Å²	59	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.8	-176.5	57	173.7	0	0	0	110.4	F629 W639 C640 Y641	F629-I648 HydrophobicContact CB-CG2 3.74Å; F629-I648 HydrophobicContact CD1-CD1 3.37Å; F629-I648 HydrophobicContact CD1-CG2 4.16Å; F629-I648 HydrophobicContact CE1-CD1 3.65Å; F629-I648 HydrophobicContact CG-CD1 4.28Å; F629-I648 HydrophobicContact CG-CG2 4.02Å; W639-I648 HydrophobicContact CB-CB 4.4Å; W639-I648 HydrophobicContact CB-CD1 4.46Å; W639-I648 HydrophobicContact CD2-CD1 4.2Å; W639-I648 HydrophobicContact CE3-CB 4.34Å; W639-I648 HydrophobicContact CE3-CD1 3.88Å; W639-I648 HydrophobicContact CE3-CG1 3.99Å; W639-I648 HydrophobicContact CG-CD1 4.47Å; W639-I648 HydrophobicContact CZ3-CD1 4.5Å; C640-I648 CarbonylContact O-C 3.56Å; C640-I648 WeakPolarHBondContact O-CA 3.15Å; Y641-I648 HydrophobicContact CD1-CG2 3.55Å; Y641-I648 HydrophobicContact CE1-CG2 3.65Å; Y641-I648 HydrophobicContact CG-CG2 4.21Å
649	R	80.7	Confident	84.8	Confident	93 Å²	93	61 Å²	61	35%	0.351	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.7	177.4	-166.4	-179.9	-71.7	157.1	-1.8	110.2	D621 E623 W639 C640	D621-R649 IonicContact OD2-NH1 3.05Å; E623-R649 IonicContact OE2-CZ 2.7Å; E623-R649 VanDerWaalsContact OE2-CZ 3.3Å; E623-R649 IonicContact OE2-NH1 2.86Å; E623-R649 PolarHBondContact OE2-NH1 3.37Å; E623-R649 IonicContact OE2-NH2 2.81Å; E623-R649 PolarHBondContact OE2-NH2 3.3Å; W639-R649 WeakPolarHBondContact CA-O 3.29Å; C640-R649 PolarHBondContact N-O 3.42Å; C640-R649 PolarHBondContact O-N 2.83Å
650	S	82.7	Confident	85	Confident	44 Å²	44	59.8 Å²	59.8	31%	0.308	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.8	177.5	174.5	0	0	0	0	110.7	I638	I638-S650 WeakPolarHBondContact O-CA 3.28Å
651	K	83.3	Confident	84.9	Confident	70 Å²	70	61.2 Å²	61.2	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	4.9	-176.2	-71.2	-65.4	-172.2	171.9	0	114.8	I613 D621 L624 I638 C640	I613-K651 HydrophobicContact CD1-CB 3.75Å; I613-K651 HydrophobicContact CD1-CG 4.45Å; D621-K651 WeakPolarHBondContact OD2-CE 3.48Å; D621-K651 IonicContact OD2-NZ 2.77Å; D621-K651 PolarHBondContact OD2-NZ 2.99Å; L624-K651 HydrophobicContact CD1-CG 4.18Å; I638-K651 PolarHBondContact O-N 2.93Å; C640-K651 HydrophobicContact CB-CG 4.45Å
652	G	83.2	Confident	84.9	Confident	24 Å²	24	63.5 Å²	63.5	25%	0.247	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-170.7	178.4	0	0	0	0	0	113.3	I638	I638-G652 PolarHBondContact N-O 3.3Å
653	R	88.3	Confident	85	Confident	146 Å²	146	70.6 Å²	70.6	55%	0.551	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.8	179.1	-57.1	-179.9	-171.5	-172.4	5.2	109.3	I638 A668	I638-R653 WeakPolarHBondContact CD1-O 3.33Å; R653-A668 PolarHBondContact NH1-O 2.74Å; R653-A668 VanDerWaalsContact NH1-O 3.13Å
654	Y	90.7	Very high	85.7	Confident	7 Å²	7	70 Å²	70	3%	0.027	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-72.9	149.9	172	-72.9	-80.6	0	0	0	111	K602 F605 A606 P635 C636 K637 I638 T658	K602-Y654 HydrophobicContact CB-CE1 4.44Å; K602-Y654 HydrophobicContact CD-CE1 4.21Å; K602-Y654 HydrophobicContact CG-CD1 4.01Å; K602-Y654 HydrophobicContact CG-CE1 3.29Å; K602-Y654 HydrophobicContact CG-CE2 4.35Å; K602-Y654 VanDerWaalsContact CG-CZ 3.49Å; K602-Y654 WeakPolarHBondContact O-CE1 3.4Å; F605-Y654 AromaticContact CD1-CD1 3.83Å; F605-Y654 HydrophobicContact CD1-CD1 3.83Å; F605-Y654 HydrophobicContact CD1-CE1 4Å; F605-Y654 HydrophobicContact CE1-CD1 4.24Å; A606-Y654 HydrophobicContact CB-CE1 4.02Å; A606-Y654 VanDerWaalsContact CB-OH 3.25Å; A606-Y654 WeakPolarHBondContact CB-OH 3.12Å; P635-Y654 WeakPolarHBondContact O-CD2 3.14Å; P635-Y654 WeakPolarHBondContact O-CE2 3.27Å; C636-Y654 PolarHBondContact O-N 3.46Å; K637-Y654 WeakPolarHBondContact O-CE2 3.4Å; I638-Y654 HydrophobicContact CG1-CD1 4.4Å; I638-Y654 HydrophobicContact CG1-CD2 4.04Å; I638-Y654 HydrophobicContact CG1-CE1 4.29Å; I638-Y654 HydrophobicContact CG1-CE2 3.92Å; I638-Y654 HydrophobicContact CG1-CG 4.29Å; Y654-T658 HydrophobicContact CD1-CG2 4.01Å; Y654-T658 HydrophobicContact CG-CG2 4.07Å
655	P	88.8	Confident	86.3	Confident	34 Å²	34	64 Å²	64	22%	0.221	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-56.2	147.3	174.1	-24.2	33.5	0	0	0	112.4	V556 F605 G657 T658	V556-P655 HydrophobicContact CG2-CG 4.47Å; F605-P655 HydrophobicContact CE1-CG 4.15Å; F605-P655 HydrophobicContact CE2-CG 4.12Å; F605-P655 HydrophobicContact CZ-CG 3.67Å; P655-G657 PolarHBondContact O-N 2.94Å; P655-T658 WeakPolarHBondContact O-CB 3.27Å; P655-T658 PolarHBondContact O-N 2.9Å; P655-T658 VanDerWaalsContact O-N 3.1Å; P655-T658 PolarHBondContact O-OG1 3.08Å
656	D	89.6	Confident	87.1	Confident	28 Å²	28	60.9 Å²	60.9	15%	0.15	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.5	177	-68.5	-20.8	0	0	0	109.7	S552 K564 C666 V667 A668	S552-D656 WeakPolarHBondContact CB-O 3.09Å; S552-D656 PolarHBondContact OG-O 3.45Å; K564-D656 IonicContact NZ-OD2 2.73Å; K564-D656 PolarHBondContact NZ-OD2 3.37Å; D656-C666 CarbonylContact C-O 3.16Å; D656-C666 WeakPolarHBondContact CA-O 3.43Å; D656-V667 WeakPolarHBondContact OD1-CA 3.37Å; D656-A668 PolarHBondContact OD1-N 3.17Å
657	G	90.9	Very high	87.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	-11.6	-173.5	0	0	0	0	0	115.6	A559 L560 P655 Y665 C666	A559-G657 CarbonylContact C-O 3.53Å; A559-G657 WeakPolarHBondContact CA-O 3.49Å; L560-G657 PolarHBondContact N-O 3.39Å; L560-G657 WeakPolarHBondContact O-CA 3.01Å; P655-G657 PolarHBondContact O-N 2.94Å; G657-Y665 WeakPolarHBondContact O-CD1 3.1Å; G657-C666 PolarHBondContact N-O 3.17Å
658	T	92.6	Very high	88.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.			trans	-62	133.8	179.5	-60.4	0	0	0	0	111.2	V556 K602 Y654 P655 C660 Y665 C666	V556-T658 HydrophobicContact CB-CG2 4.27Å; V556-T658 HydrophobicContact CG1-CG2 3.91Å; V556-T658 HydrophobicContact CG2-CG2 4.42Å; K602-T658 HydrophobicContact CD-CG2 4.3Å; K602-T658 HydrophobicContact CG-CG2 4.38Å; Y654-T658 HydrophobicContact CD1-CG2 4.01Å; Y654-T658 HydrophobicContact CG-CG2 4.07Å; P655-T658 WeakPolarHBondContact O-CB 3.27Å; P655-T658 PolarHBondContact O-N 2.9Å; P655-T658 VanDerWaalsContact O-N 3.1Å; P655-T658 PolarHBondContact O-OG1 3.08Å; T658-C660 PolarHBondContact O-N 2.8Å; T658-Y665 CarbonylContact O-C 3.55Å; T658-Y665 WeakPolarHBondContact O-CA 3.37Å; T658-C666 PolarHBondContact O-N 3.38Å; T658-C666 PolarHBondContact O-SG 3.3Å
659	P	92	Very high	88.3	Confident	42 Å²	42	47.4 Å²	47.4	27%	0.273	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.8	177.8	24.9	-33.8	0	0	0	111.9	K602 Y665	K602-P659 PolarHBondContact NZ-O 2.68Å; P659-Y665 HydrophobicContact CB-CD1 4.38Å; P659-Y665 HydrophobicContact CB-CE1 4.38Å
660	C	92.2	Very high	88.6	Confident	20 Å²	20	46.2 Å²	46.2	14%	0.135	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-1.4	179.2	60.9	0	0	0	0	113.7	P635 C636 T658 R664 Y665 C671	P635-C660 HydrophobicContact CB-CB 4.14Å; P635-C660 HydrophobicContact CG-CB 3.86Å; C636-C660 VanDerWaalsContact SG-CB 3.58Å; T658-C660 PolarHBondContact O-N 2.8Å; C660-R664 PolarHBondContact N-O 2.98Å; C660-R664 PolarHBondContact SG-O 2.78Å; C660-Y665 PolarHBondContact SG-N 3.41Å; C660-Y665 VanDerWaalsContact SG-N 3.44Å; C660-C671 HydrophobicContact CB-CB 3.86Å; C660-C671 WeakPolarHBondContact CB-SG 3.49Å; C660-C671 WeakPolarHBondContact SG-CA 3.41Å; C660-C671 WeakPolarHBondContact SG-CB 3.22Å; C660-C671 CovalentContact SG-SG 2.03Å; C660-C671 PolarHBondContact SG-SG 3.41Å
661	G	88.6	Confident	89	Confident	31 Å²	31	46.1 Å²	46.1	32%	0.32	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-178.5	173	0	0	0	0	0	111.2	K663 R664	G661-K663 PolarHBondContact O-N 2.77Å; G661-K663 VanDerWaalsContact O-N 3.14Å; G661-R664 PolarHBondContact N-O 2.93Å; G661-R664 PolarHBondContact O-N 2.98Å
662	P	88.5	Confident	89.5	Confident	116 Å²	116	43.4 Å²	43.4	75%	0.753	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	117.8	178.7	-20.4	31.8	0	0	0	110.7	R664	P662-R664 PolarHBondContact O-N 2.93Å
663	K	87.2	Confident	90	Very high	170 Å²	170	48.6 Å²	48.6	74%	0.739	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	30.8	-173.6	-57.9	-175.2	177.2	-176.5	0	113.8	G661 N674	G661-K663 PolarHBondContact O-N 2.77Å; G661-K663 VanDerWaalsContact O-N 3.14Å; K663-N674 PolarHBondContact O-N 3.43Å
664	R	93.8	Very high	90.1	Very high	85 Å²	85	43.5 Å²	43.5	32%	0.321	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.1	178.3	-67.6	-174.3	173.4	105	-2.6	112.2	C660 G661 P662 L672 R673	C660-R664 PolarHBondContact N-O 2.98Å; C660-R664 PolarHBondContact SG-O 2.78Å; G661-R664 PolarHBondContact N-O 2.93Å; G661-R664 PolarHBondContact O-N 2.98Å; P662-R664 PolarHBondContact O-N 2.93Å; R664-L672 CarbonylContact C-O 3.43Å; R664-L672 WeakPolarHBondContact CA-O 3.29Å; R664-L672 VanDerWaalsContact CB-O 3.3Å; R664-L672 WeakPolarHBondContact CB-O 3.33Å; R664-R673 HydrophobicContact CG-CG 4.09Å
665	Y	93.3	Very high	90	Very high	44 Å²	44	45.5 Å²	45.5	17%	0.173	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150	-173.3	-55.8	-87.2	0	0	0	111.4	L560 G657 T658 P659 C660 L672 N674 V681	L560-Y665 HydrophobicContact CB-CD1 4.45Å; L560-Y665 HydrophobicContact CD1-CD1 4Å; L560-Y665 HydrophobicContact CD1-CD2 3.59Å; L560-Y665 HydrophobicContact CD1-CE1 3.79Å; L560-Y665 HydrophobicContact CD1-CE2 3.4Å; L560-Y665 HydrophobicContact CD1-CG 3.88Å; L560-Y665 VanDerWaalsContact CD1-CZ 3.47Å; L560-Y665 HydrophobicContact CG-CD1 4.01Å; L560-Y665 HydrophobicContact CG-CD2 4.47Å; L560-Y665 HydrophobicContact CG-CE1 3.67Å; L560-Y665 HydrophobicContact CG-CE2 4.21Å; L560-Y665 HydrophobicContact CG-CG 4.37Å; G657-Y665 WeakPolarHBondContact O-CD1 3.1Å; T658-Y665 CarbonylContact O-C 3.55Å; T658-Y665 WeakPolarHBondContact O-CA 3.37Å; P659-Y665 HydrophobicContact CB-CD1 4.38Å; P659-Y665 HydrophobicContact CB-CE1 4.38Å; C660-Y665 PolarHBondContact SG-N 3.41Å; C660-Y665 VanDerWaalsContact SG-N 3.44Å; Y665-L672 PolarHBondContact N-O 2.96Å; Y665-L672 PolarHBondContact O-N 3.36Å; Y665-N674 HydrophobicContact CD2-CB 3.98Å; Y665-N674 HydrophobicContact CE2-CB 3.8Å; Y665-V681 HydrophobicContact CD2-CG2 4.08Å; Y665-V681 HydrophobicContact CG-CG2 4.49Å
666	C	93	Very high	89.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.6	179.7	-62.5	0	0	0	0	111.5	C636 D656 G657 T658 V670	C636-C666 WeakPolarHBondContact CA-SG 3.4Å; C636-C666 HydrophobicContact CB-CB 3.82Å; C636-C666 WeakPolarHBondContact CB-SG 3.5Å; C636-C666 WeakPolarHBondContact SG-CA 3.14Å; C636-C666 WeakPolarHBondContact SG-CB 3.47Å; C636-C666 CovalentContact SG-SG 2.04Å; C636-C666 PolarHBondContact SG-SG 2.8Å; D656-C666 CarbonylContact C-O 3.16Å; D656-C666 WeakPolarHBondContact CA-O 3.43Å; G657-C666 PolarHBondContact N-O 3.17Å; T658-C666 PolarHBondContact O-N 3.38Å; T658-C666 PolarHBondContact O-SG 3.3Å; C666-V670 CarbonylContact C-O 3.56Å; C666-V670 WeakPolarHBondContact CA-O 3.44Å
667	V	90.1	Very high	89.5	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.6	168.6	-173.8	0	0	0	0	108.1	L562 K564 V586 D656 G669 V670 L672 V681	L562-V667 HydrophobicContact CD1-CG2 3.73Å; K564-V667 HydrophobicContact CD-CG1 4.5Å; K564-V667 HydrophobicContact CG-CG1 4.3Å; V586-V667 HydrophobicContact CB-CG1 4.06Å; V586-V667 HydrophobicContact CG2-CB 4.25Å; V586-V667 HydrophobicContact CG2-CG1 3.94Å; D656-V667 WeakPolarHBondContact OD1-CA 3.37Å; V667-G669 PolarHBondContact O-N 3.28Å; V667-G669 VanDerWaalsContact O-N 3.07Å; V667-V670 PolarHBondContact N-O 2.82Å; V667-V670 PolarHBondContact O-N 3.4Å; V667-L672 HydrophobicContact CB-CD1 4.08Å; V667-L672 HydrophobicContact CG2-CD1 4.22Å; V667-V681 HydrophobicContact CG2-CB 4.24Å; V667-V681 HydrophobicContact CG2-CG1 3.89Å
668	A	82.6	Confident	89.1	Confident	25 Å²	25	49.2 Å²	49.2	21%	0.207	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	25.7	-174.5	0	0	0	0	0	115.2	K564 V586 R653 D656	K564-A668 HydrophobicContact CD-CB 4Å; V586-A668 HydrophobicContact CB-CB 4.25Å; V586-A668 HydrophobicContact CG1-CB 3.82Å; V586-A668 HydrophobicContact CG2-CB 4.06Å; R653-A668 PolarHBondContact NH1-O 2.74Å; R653-A668 VanDerWaalsContact NH1-O 3.13Å; D656-A668 PolarHBondContact OD1-N 3.17Å
669	G	82.9	Confident	88.7	Confident	16 Å²	16	54.8 Å²	54.8	17%	0.165	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	2.5	-175.8	0	0	0	0	0	115.2	C636 V667	C636-G669 VanDerWaalsContact CB-C 3.47Å; C636-G669 WeakPolarHBondContact CB-O 3.42Å; V667-G669 PolarHBondContact O-N 3.28Å; V667-G669 VanDerWaalsContact O-N 3.07Å
670	V	86.8	Confident	88.6	Confident	68 Å²	68	52.8 Å²	52.8	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136	176.2	-174.6	0	0	0	0	110.2	C666 V667 L672	C666-V670 CarbonylContact C-O 3.56Å; C666-V670 WeakPolarHBondContact CA-O 3.44Å; V667-V670 PolarHBondContact N-O 2.82Å; V667-V670 PolarHBondContact O-N 3.4Å; V670-L672 HydrophobicContact CB-CG 4.44Å; V670-L672 HydrophobicContact CG1-CD2 3.71Å; V670-L672 HydrophobicContact CG1-CG 4.06Å; V670-L672 PolarHBondContact O-N 3.01Å
671	C	90.8	Very high	88.6	Confident	42 Å²	42	51.8 Å²	51.8	28%	0.284	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	105.8	178.8	-174.8	0	0	0	0	111	P635 C660	P635-C671 HydrophobicContact CG-CB 4.28Å; C660-C671 HydrophobicContact CB-CB 3.86Å; C660-C671 WeakPolarHBondContact CB-SG 3.49Å; C660-C671 WeakPolarHBondContact SG-CA 3.41Å; C660-C671 WeakPolarHBondContact SG-CB 3.22Å; C660-C671 CovalentContact SG-SG 2.03Å; C660-C671 PolarHBondContact SG-SG 3.41Å
672	L	93.8	Very high	88.8	Confident	12 Å²	12	50.3 Å²	50.3	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	164.6	-172.6	-65.6	-176.6	0	0	0	112	V586 R664 Y665 V667 V670 V681	V586-L672 HydrophobicContact CG2-CD1 4.33Å; V586-L672 WeakPolarHBondContact O-CD1 3.27Å; R664-L672 CarbonylContact C-O 3.43Å; R664-L672 WeakPolarHBondContact CA-O 3.29Å; R664-L672 VanDerWaalsContact CB-O 3.3Å; R664-L672 WeakPolarHBondContact CB-O 3.33Å; Y665-L672 PolarHBondContact N-O 2.96Å; Y665-L672 PolarHBondContact O-N 3.36Å; V667-L672 HydrophobicContact CB-CD1 4.08Å; V667-L672 HydrophobicContact CG2-CD1 4.22Å; V670-L672 HydrophobicContact CB-CG 4.44Å; V670-L672 HydrophobicContact CG1-CD2 3.71Å; V670-L672 HydrophobicContact CG1-CG 4.06Å; V670-L672 PolarHBondContact O-N 3.01Å; L672-V681 HydrophobicContact CB-CG1 3.62Å
673	R	93.2	Very high	88.9	Confident	134 Å²	134	46.4 Å²	46.4	51%	0.506	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	140.2	-176.2	-61.4	179.6	-167.2	-162.6	1.1	110.4	R664 L675 V681 V682	R664-R673 HydrophobicContact CG-CG 4.09Å; R673-L675 HydrophobicContact CB-CD2 4.34Å; R673-L675 HydrophobicContact CB-CG 4.07Å; R673-L675 PolarHBondContact O-N 3.01Å; R673-V681 CarbonylContact O-C 3.48Å; R673-V681 WeakPolarHBondContact O-CA 3.41Å; R673-V682 PolarHBondContact N-O 3.34Å; R673-V682 PolarHBondContact O-N 2.04Å
674	N	90	Very high	88.9	Confident	39 Å²	39	41.4 Å²	41.4	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.6	168.4	-168.2	-2.2	0	0	0	109.2	K663 Y665 G678 A680 V681	K663-N674 PolarHBondContact O-N 3.43Å; Y665-N674 HydrophobicContact CD2-CB 3.98Å; Y665-N674 HydrophobicContact CE2-CB 3.8Å; N674-G678 WeakPolarHBondContact OD1-CA 3.49Å; N674-A680 PolarHBondContact OD1-O 3.42Å; N674-V681 HydrophobicContact CB-CG2 4.29Å
675	L	89	Confident	88.5	Confident	48 Å²	48	43 Å²	43	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-157.3	-178.5	-63.4	-177.4	0	0	0	109	R673 G677 G678 A680 V682	R673-L675 HydrophobicContact CB-CD2 4.34Å; R673-L675 HydrophobicContact CB-CG 4.07Å; R673-L675 PolarHBondContact O-N 3.01Å; L675-G677 VanDerWaalsContact C-N 3.31Å; L675-G677 PolarHBondContact O-N 3.22Å; L675-G678 PolarHBondContact O-N 2.89Å; L675-A680 CarbonylContact C-O 3.57Å; L675-A680 PolarHBondContact N-O 2.82Å; L675-V682 HydrophobicContact CB-CG2 3.69Å; L675-V682 HydrophobicContact CD1-CG2 3.94Å; L675-V682 HydrophobicContact CG-CG2 4.14Å
676	C	86.9	Confident	88	Confident	17 Å²	17	45.8 Å²	45.8	12%	0.115	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	55.9	39.6	171.3	-39.3	0	0	0	0	114.1	G678 E679 A680 C688	C676-G678 PolarHBondContact O-N 3.16Å; C676-E679 WeakPolarHBondContact O-CB 3.37Å; C676-E679 PolarHBondContact O-N 3.43Å; C676-E679 VanDerWaalsContact O-N 3.12Å; C676-A680 HydrophobicContact CB-CB 4.12Å; C676-C688 WeakPolarHBondContact CA-SG 3.44Å; C676-C688 HydrophobicContact CB-CB 3.74Å; C676-C688 WeakPolarHBondContact CB-SG 3.19Å; C676-C688 WeakPolarHBondContact SG-CA 3.25Å; C676-C688 WeakPolarHBondContact SG-CB 3.41Å; C676-C688 CovalentContact SG-SG 2.01Å; C676-C688 PolarHBondContact SG-SG 2.84Å
677	G	81.8	Confident	87.8	Confident	89 Å²	89	45.9 Å²	45.9	92%	0.918	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	67.3	13.3	-177	0	0	0	0	0	114.9	L675	L675-G677 VanDerWaalsContact C-N 3.31Å; L675-G677 PolarHBondContact O-N 3.22Å
678	G	82.1	Confident	87.6	Confident	34 Å²	34	47.2 Å²	47.2	35%	0.351	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	93.5	-0.4	-174.7	0	0	0	0	0	114	V590 N674 L675 C676	V590-G678 VanDerWaalsContact CG2-O 3.31Å; V590-G678 WeakPolarHBondContact CG2-O 3.31Å; N674-G678 WeakPolarHBondContact OD1-CA 3.49Å; L675-G678 PolarHBondContact O-N 2.89Å; C676-G678 PolarHBondContact O-N 3.16Å
679	E	84.5	Confident	87.4	Confident	117 Å²	117	48.3 Å²	48.3	55%	0.547	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.8	-178.1	-60.7	-164.1	136.6	0	0	113.5	V590 C676	V590-E679 WeakPolarHBondContact CB-O 3.22Å; V590-E679 PolarHBondContact N-O 3.41Å; C676-E679 WeakPolarHBondContact O-CB 3.37Å; C676-E679 PolarHBondContact O-N 3.43Å; C676-E679 VanDerWaalsContact O-N 3.12Å
680	A	89.8	Confident	86.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	144.7	-178.7	0	0	0	0	0	113.8	G588 L589 N674 L675 C676 V682	G588-A680 CarbonylContact O-C 3.51Å; G588-A680 WeakPolarHBondContact O-CA 3.22Å; L589-A680 HydrophobicContact CD2-CB 3.83Å; N674-A680 PolarHBondContact OD1-O 3.42Å; L675-A680 CarbonylContact C-O 3.57Å; L675-A680 PolarHBondContact N-O 2.82Å; C676-A680 HydrophobicContact CB-CB 4.12Å; A680-V682 HydrophobicContact CB-CG1 4.24Å
681	V	92.1	Very high	84.8	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108	172.4	-178.2	0	0	0	0	108.5	L560 L562 G588 Y665 V667 L672 R673 N674	L560-V681 HydrophobicContact CD1-CG2 4.19Å; L562-V681 HydrophobicContact CD1-CB 4.21Å; L562-V681 HydrophobicContact CD1-CG2 3.99Å; L562-V681 HydrophobicContact CD2-CG2 3.85Å; G588-V681 PolarHBondContact N-O 3.43Å; G588-V681 PolarHBondContact O-N 2.75Å; Y665-V681 HydrophobicContact CD2-CG2 4.08Å; Y665-V681 HydrophobicContact CG-CG2 4.49Å; V667-V681 HydrophobicContact CG2-CB 4.24Å; V667-V681 HydrophobicContact CG2-CG1 3.89Å; L672-V681 HydrophobicContact CB-CG1 3.62Å; R673-V681 CarbonylContact O-C 3.48Å; R673-V681 WeakPolarHBondContact O-CA 3.41Å; N674-V681 HydrophobicContact CB-CG2 4.29Å
682	V	92.9	Very high	82.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	167.7	-171.6	-72.8	0	0	0	0	110.9	R587 R673 L675 A680 E687	R587-V682 HydrophobicContact CB-CG1 3.8Å; R673-V682 PolarHBondContact N-O 3.34Å; R673-V682 PolarHBondContact O-N 2.04Å; L675-V682 HydrophobicContact CB-CG2 3.69Å; L675-V682 HydrophobicContact CD1-CG2 3.94Å; L675-V682 HydrophobicContact CG-CG2 4.14Å; A680-V682 HydrophobicContact CB-CG1 4.24Å; V682-E687 HydrophobicContact CB-CB 3.85Å; V682-E687 HydrophobicContact CG1-CB 3.66Å
683	S	89.8	Confident	79.1	Confident	33 Å²	33	70.4 Å²	70.4	23%	0.231	41%	0.407	C	S	.	.	S	Bend	trans	-84.6	-39.1	176.4	70.7	0	0	0	0	112.4	G583 S584 E687	G583-S683 VanDerWaalsContact CA-OG 3.26Å; G583-S683 WeakPolarHBondContact CA-OG 3.47Å; S584-S683 PolarHBondContact N-OG 2.94Å; S584-S683 VanDerWaalsContact N-OG 3.11Å; S683-E687 WeakPolarHBondContact CB-OE2 3.31Å; S683-E687 PolarHBondContact N-OE2 2.81Å; S683-E687 PolarHBondContact OG-OE1 3.1Å; S683-E687 PolarHBondContact OG-OE2 2.85Å
684	I	88.6	Confident	76.2	Confident	65 Å²	65	68 Å²	68	33%	0.333	42%	0.415	S	S	.	.	S	Bend	trans	-138.4	155.9	-177.6	60.4	177	0	0	0	111.1	S686 E687	I684-S686 VanDerWaalsContact C-N 3.31Å; I684-S686 VanDerWaalsContact CD1-OG 3.29Å; I684-S686 WeakPolarHBondContact CD1-OG 3.15Å; I684-S686 PolarHBondContact O-N 3.24Å; I684-E687 HydrophobicContact CD1-CG 4.4Å; I684-E687 HydrophobicContact CG1-CG 3.7Å; I684-E687 PolarHBondContact N-OE2 3.24Å; I684-E687 WeakPolarHBondContact O-CB 3.5Å; I684-E687 PolarHBondContact O-N 2.66Å; I684-E687 VanDerWaalsContact O-N 3.14Å
685	Q	85.5	Confident	73.3	Confident	118 Å²	118	74.3 Å²	74.3	55%	0.551	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.8	-173.7	-171.6	69.8	16.6	0	0	113.8	E687 C688	Q685-E687 PolarHBondContact O-N 3.01Å; Q685-C688 WeakPolarHBondContact O-CB 3.24Å; Q685-C688 PolarHBondContact O-N 3.14Å; Q685-C688 PolarHBondContact O-SG 2.78Å
686	S	82.9	Confident	70.6	Confident	103 Å²	103	78.7 Å²	78.7	72%	0.72	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-69	-10	177.9	54.3	0	0	0	0	113.8	I684 C688	I684-S686 VanDerWaalsContact C-N 3.31Å; I684-S686 VanDerWaalsContact CD1-OG 3.29Å; I684-S686 WeakPolarHBondContact CD1-OG 3.15Å; I684-S686 PolarHBondContact O-N 3.24Å; S686-C688 VanDerWaalsContact C-N 3.3Å
687	E	87.1	Confident	68.4	Low	3 Å²	3	84.8 Å²	84.8	1%	0.014	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-85.5	-2.4	174.8	-66.2	171.5	165.7	0	0	113.2	W543 R567 G583 S584 R587 V682 S683 I684 Q685	W543-E687 HydrophobicContact CZ2-CB 4.45Å; W543-E687 HydrophobicContact CZ2-CG 4.35Å; R567-E687 IonicContact CZ-OE1 2.8Å; R567-E687 IonicContact NH2-OE1 2.68Å; R567-E687 PolarHBondContact NH2-OE1 3Å; G583-E687 WeakPolarHBondContact CA-OE1 3.04Å; S584-E687 PolarHBondContact N-OE1 2.88Å; R587-E687 PolarHBondContact NH1-O 3.19Å; V682-E687 HydrophobicContact CB-CB 3.85Å; V682-E687 HydrophobicContact CG1-CB 3.66Å; S683-E687 WeakPolarHBondContact CB-OE2 3.31Å; S683-E687 PolarHBondContact N-OE2 2.81Å; S683-E687 PolarHBondContact OG-OE1 3.1Å; S683-E687 PolarHBondContact OG-OE2 2.85Å; I684-E687 HydrophobicContact CD1-CG 4.4Å; I684-E687 HydrophobicContact CG1-CG 3.7Å; I684-E687 PolarHBondContact N-OE2 3.24Å; I684-E687 WeakPolarHBondContact O-CB 3.5Å; I684-E687 PolarHBondContact O-N 2.66Å; I684-E687 VanDerWaalsContact O-N 3.14Å; Q685-E687 PolarHBondContact O-N 3.01Å
688	C	86	Confident	66.5	Low	29 Å²	29	88.8 Å²	88.8	20%	0.196	50%	0.499	C	S	.	.	S	Bend	trans	-61	139	175.8	-64.4	0	0	0	0	110.9	C676 Q685 S686 M690	C676-C688 WeakPolarHBondContact CA-SG 3.44Å; C676-C688 HydrophobicContact CB-CB 3.74Å; C676-C688 WeakPolarHBondContact CB-SG 3.19Å; C676-C688 WeakPolarHBondContact SG-CA 3.25Å; C676-C688 WeakPolarHBondContact SG-CB 3.41Å; C676-C688 CovalentContact SG-SG 2.01Å; C676-C688 PolarHBondContact SG-SG 2.84Å; Q685-C688 WeakPolarHBondContact O-CB 3.24Å; Q685-C688 PolarHBondContact O-N 3.14Å; Q685-C688 PolarHBondContact O-SG 2.78Å; S686-C688 VanDerWaalsContact C-N 3.3Å; C688-M690 PolarHBondContact O-N 3.08Å
689	P	78.3	Confident	65	Low	48 Å²	48	89.9 Å²	89.9	31%	0.312	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.3	133.9	173.2	27.7	-34.2	0	0	0	109.9	L589 S691	L589-P689 HydrophobicContact CD2-CB 4.43Å; L589-P689 HydrophobicContact CD2-CG 3.98Å; P689-S691 PolarHBondContact O-N 3.01Å
690	M	65.4	Low	63.7	Low	184 Å²	184	91.4 Å²	91.4	91%	0.906	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-67.9	125.6	173.4	-63.8	-158.3	-62.2	0	0	109.1	C688 L692	C688-M690 PolarHBondContact O-N 3.08Å; M690-L692 PolarHBondContact O-N 3.11Å
691	S	50.6	Low	63.2	Low	102 Å²	102	93.9 Å²	93.9	71%	0.713	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-72.2	119.8	178.7	-175.5	0	0	0	0	110.6	P689 N693	P689-S691 PolarHBondContact O-N 3.01Å; S691-N693 VanDerWaalsContact C-N 3.29Å; S691-N693 PolarHBondContact O-N 3.42Å; S691-N693 VanDerWaalsContact O-N 3.11Å
692	L	35.5	Very low	62.6	Low	166 Å²	166	95.4 Å²	95.4	87%	0.869	52%	0.522	S	S	*	.	S	Bend	trans	-77.5	80.1	164.8	-80.3	153.6	0	0	0	108.2	M690	M690-L692 PolarHBondContact O-N 3.11Å
693	N	29.8	Very low	62	Low	150 Å²	150	100.7 Å²	100.7	80%	0.802	56%	0.559	S	S	*	*			trans	158.9	102.4	153.9	-86.6	-15.2	0	0	0	109.6	S691	S691-N693 VanDerWaalsContact C-N 3.29Å; S691-N693 PolarHBondContact O-N 3.42Å; S691-N693 VanDerWaalsContact O-N 3.11Å
694	A	31.5	Very low	61.8	Low	83 Å²	83	102.8 Å²	102.8	69%	0.686	56%	0.562	S	S	*	*			trans	-156.8	72.7	158.4	0	0	0	0	0	108.4
695	N	28.7	Very low	61.6	Low	172 Å²	172	102.2 Å²	102.2	92%	0.92	56%	0.564	S	S	*	*			trans	-89.5	131.1	157.8	-124.4	1	0	0	0	106.5
696	D	33.6	Very low	61.6	Low	139 Å²	139	101.8 Å²	101.8	74%	0.743	57%	0.574	S	S	*	*	S	Bend	trans	104.2	130.7	164.3	-148.1	15.1	0	0	0	118.4
697	Q	40	Very low	61.7	Low	145 Å²	145	100.3 Å²	100.3	68%	0.678	55%	0.552	S	S	*	*			trans	85.5	73.4	174.3	-50.5	-159	0.6	0	0	118.6	D699	Q697-D699 PolarHBondContact O-N 2.98Å
698	L	41.9	Very low	61.4	Low	174 Å²	174	103.2 Å²	103.2	91%	0.911	57%	0.57	S	S	*	*			trans	-53.8	108	173.7	-147.6	78.5	0	0	0	113.2
699	D	51.4	Low	61.2	Low	57 Å²	57	106 Å²	106	31%	0.305	60%	0.595	S	S	.	*			trans	54.2	87.3	139.8	-146.5	-12.4	0	0	0	118.9	Q697 C730 S731	Q697-D699 PolarHBondContact O-N 2.98Å; D699-C730 WeakPolarHBondContact OD1-CA 3.34Å; D699-C730 WeakPolarHBondContact OD1-CB 3.34Å; D699-S731 VanDerWaalsContact CG-N 3.27Å; D699-S731 PolarHBondContact OD1-N 3.06Å; D699-S731 VanDerWaalsContact OD1-N 3.09Å; D699-S731 WeakPolarHBondContact OD2-CB 3.39Å; D699-S731 PolarHBondContact OD2-N 2.85Å; D699-S731 PolarHBondContact OD2-OG 2.87Å; D699-S731 VanDerWaalsContact OD2-OG 3.11Å
700	K	56.9	Low	61.4	Low	148 Å²	148	105.9 Å²	105.9	64%	0.643	60%	0.595	S	S	*	*			trans	-130.1	117.5	167.1	-150	176.3	-172.1	179	0	111.8	L726 S727 C730	K700-L726 WeakPolarHBondContact O-CA 3.2Å; K700-L726 WeakPolarHBondContact O-CB 3.49Å; K700-L726 PolarHBondContact O-N 3.46Å; K700-S727 PolarHBondContact N-OG 3.16Å; K700-C730 PolarHBondContact O-SG 3.38Å
701	W	78.5	Confident	62.1	Low	52 Å²	52	99.9 Å²	99.9	20%	0.197	57%	0.572	C	S	.	*	B	Isolated β-bridge	trans	-89.8	149.9	174.2	-73	100.3	0	0	0	112.3	R723 C725 C730 S731 G732 A734	W701-R723 HydrophobicContact CD2-CG 4.01Å; W701-R723 VanDerWaalsContact CD2-NE 3.33Å; W701-R723 HydrophobicContact CE3-CB 4.19Å; W701-R723 HydrophobicContact CE3-CG 3.42Å; W701-R723 VanDerWaalsContact CE3-CG 3.42Å; W701-R723 HydrophobicContact CZ3-CG 3.86Å; W701-C725 HydrophobicContact CE3-CB 4.09Å; W701-C725 HydrophobicContact CH2-CB 4.24Å; W701-C725 HydrophobicContact CZ3-CB 3.82Å; W701-C730 HydrophobicContact CD2-CB 3.79Å; W701-C730 HydrophobicContact CE3-CB 4.31Å; W701-C730 HydrophobicContact CG-CB 4.33Å; W701-C730 HydrophobicContact CH2-CB 3.92Å; W701-C730 HydrophobicContact CZ2-CB 3.31Å; W701-C730 HydrophobicContact CZ3-CB 4.38Å; W701-S731 PolarHBondContact NE1-O 3.31Å; W701-G732 WeakPolarHBondContact CZ2-O 3.36Å; W701-A734 HydrophobicContact CH2-CB 3.73Å; W701-A734 HydrophobicContact CZ3-CB 3.64Å
702	S	80.1	Confident	62.6	Low	33 Å²	33	97 Å²	97	23%	0.231	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-66	165.5	164.6	79.5	0	0	0	0	111.5	S724	S702-S724 WeakPolarHBondContact CB-O 3.44Å; S702-S724 PolarHBondContact N-O 3.49Å; S702-S724 PolarHBondContact OG-N 2.96Å; S702-S724 PolarHBondContact OG-O 2.92Å
703	S	80.1	Confident	64.4	Low	110 Å²	110	95.5 Å²	95.5	77%	0.769	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-52.1	141.7	162.5	-34	0	0	0	0	109.8
704	W	85.3	Confident	66.1	Low	77 Å²	77	90.2 Å²	90.2	29%	0.292	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-63.1	141.2	169.9	-75.6	108.3	0	0	0	110.8	R721 L722 R723 E736	W704-R721 HydrophobicContact CD2-CG 4.15Å; W704-R721 HydrophobicContact CE3-CB 4.2Å; W704-R721 HydrophobicContact CE3-CG 3.54Å; W704-R721 HydrophobicContact CZ3-CG 3.89Å; W704-R721 WeakPolarHBondContact CZ3-O 3.3Å; W704-L722 VanDerWaalsContact CE3-C 3.5Å; W704-R723 HydrophobicContact CD2-CB 3.94Å; W704-R723 HydrophobicContact CD2-CG 3.97Å; W704-R723 VanDerWaalsContact CE2-CD 3.47Å; W704-R723 HydrophobicContact CE3-CB 3.67Å; W704-R723 HydrophobicContact CE3-CG 3.66Å; W704-R723 HydrophobicContact CG-CB 4.48Å; W704-R723 HydrophobicContact CH2-CG 3.68Å; W704-R723 VanDerWaalsContact CZ2-CD 3.42Å; W704-R723 HydrophobicContact CZ2-CG 4Å; W704-R723 VanDerWaalsContact CZ2-NE 3.27Å; W704-R723 HydrophobicContact CZ3-CB 4.02Å; W704-R723 HydrophobicContact CZ3-CG 3.5Å; W704-E736 HydrophobicContact CH2-CB 3.63Å; W704-E736 HydrophobicContact CZ2-CB 4.28Å; W704-E736 HydrophobicContact CZ3-CB 4Å
705	S	83.9	Confident	67	Low	54 Å²	54	87.3 Å²	87.3	38%	0.378	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-62.7	162.1	165.6	74.6	0	0	0	0	110.7	L722	S705-L722 WeakPolarHBondContact CB-O 3.14Å; S705-L722 PolarHBondContact N-O 3.4Å; S705-L722 PolarHBondContact OG-N 2.89Å; S705-L722 PolarHBondContact OG-O 3.46Å
706	S	87.1	Confident	68.8	Low	109 Å²	109	83.4 Å²	83.4	76%	0.762	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-54.5	147	160.8	-50.2	0	0	0	0	109.9	T708	S706-T708 PolarHBondContact O-N 3Å
707	W	84.7	Confident	70.9	Confident	72 Å²	72	77 Å²	77	27%	0.273	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-60.6	136.3	171.4	-73.7	102.7	0	0	0	110.1	R719 S720 R721 E736 I738	W707-R719 HydrophobicContact CD2-CG 4.21Å; W707-R719 HydrophobicContact CE3-CB 4.02Å; W707-R719 HydrophobicContact CE3-CG 3.64Å; W707-R719 HydrophobicContact CZ3-CG 4.13Å; W707-R719 WeakPolarHBondContact CZ3-O 3.46Å; W707-S720 VanDerWaalsContact CE3-C 3.49Å; W707-R721 HydrophobicContact CD2-CB 4.06Å; W707-R721 HydrophobicContact CD2-CG 4Å; W707-R721 VanDerWaalsContact CE2-CD 3.45Å; W707-R721 HydrophobicContact CE3-CB 3.88Å; W707-R721 HydrophobicContact CE3-CG 3.84Å; W707-R721 HydrophobicContact CH2-CG 3.6Å; W707-R721 VanDerWaalsContact CZ2-CD 3.41Å; W707-R721 HydrophobicContact CZ2-CG 3.81Å; W707-R721 VanDerWaalsContact CZ2-CZ 3.43Å; W707-R721 HydrophobicContact CZ3-CB 4.13Å; W707-R721 HydrophobicContact CZ3-CG 3.64Å; W707-E736 HydrophobicContact CH2-CB 4.27Å; W707-E736 HydrophobicContact CH2-CG 4.04Å; W707-E736 WeakPolarHBondContact CZ3-O 3.34Å; W707-I738 HydrophobicContact CH2-CB 4.37Å; W707-I738 HydrophobicContact CH2-CD1 3.2Å; W707-I738 HydrophobicContact CH2-CG1 3.46Å; W707-I738 VanDerWaalsContact CH2-CG1 3.46Å; W707-I738 HydrophobicContact CZ2-CD1 3.33Å; W707-I738 HydrophobicContact CZ2-CG1 4.14Å; W707-I738 HydrophobicContact CZ3-CD1 4.13Å; W707-I738 HydrophobicContact CZ3-CG1 4.06Å
708	T	81	Confident	72.8	Confident	63 Å²	63	75.6 Å²	75.6	39%	0.387	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-63.1	157.6	167.7	54	0	0	0	0	110.4	S706 R719 S720	S706-T708 PolarHBondContact O-N 3Å; T708-R719 WeakPolarHBondContact O-CB 3.49Å; T708-S720 WeakPolarHBondContact CG2-O 3.4Å; T708-S720 PolarHBondContact N-O 3.04Å; T708-S720 PolarHBondContact OG1-N 3.04Å; T708-S720 PolarHBondContact OG1-O 2.92Å; T708-S720 PolarHBondContact OG1-OG 3.01Å
709	A	81.9	Confident	74.8	Confident	88 Å²	88	72.5 Å²	72.5	73%	0.727	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-56.9	152.7	165.4	0	0	0	0	0	109.5	S711	A709-S711 PolarHBondContact O-N 3.48Å; A709-S711 VanDerWaalsContact O-N 3.16Å
710	C	81.7	Confident	76.1	Confident	45 Å²	45	70.7 Å²	70.7	30%	0.304	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-54.1	126.1	177.3	-167.5	0	0	0	0	108.9	S712 C740	C710-S712 PolarHBondContact O-N 3.45Å; C710-S712 PolarHBondContact SG-O 3.36Å; C710-C740 WeakPolarHBondContact CA-SG 3.48Å; C710-C740 HydrophobicContact CB-CB 4.02Å; C710-C740 WeakPolarHBondContact CB-SG 3.38Å; C710-C740 WeakPolarHBondContact SG-CB 3.1Å; C710-C740 CovalentContact SG-SG 2.04Å; C710-C740 PolarHBondContact SG-SG 3.3Å
711	S	80.5	Confident	77.4	Confident	59 Å²	59	66.5 Å²	66.5	41%	0.413	40%	0.397	S	S	.	.	S	Bend	trans	-57.9	-20.5	-174.1	62.4	0	0	0	0	113.3	A709 Y718	A709-S711 PolarHBondContact O-N 3.48Å; A709-S711 VanDerWaalsContact O-N 3.16Å; S711-Y718 VanDerWaalsContact CB-O 3.23Å; S711-Y718 WeakPolarHBondContact CB-O 3.05Å; S711-Y718 PolarHBondContact N-O 2.92Å; S711-Y718 WeakPolarHBondContact OG-CD1 3.32Å; S711-Y718 WeakPolarHBondContact OG-CE1 3.21Å; S711-Y718 PolarHBondContact OG-N 2.78Å; S711-Y718 PolarHBondContact OG-O 3.14Å; S711-Y718 VanDerWaalsContact OG-O 3.11Å
712	S	61.1	Low	77.6	Confident	42 Å²	42	68.3 Å²	68.3	29%	0.294	41%	0.41	S	S	.	.			trans	-125.8	126.6	179.5	-51.9	0	0	0	0	108.9	C710 C714	C710-S712 PolarHBondContact O-N 3.45Å; C710-S712 PolarHBondContact SG-O 3.36Å; S712-C714 WeakPolarHBondContact CB-O 3.47Å; S712-C714 PolarHBondContact O-N 2.98Å
713	T	72.6	Confident	77.6	Confident	133 Å²	133	69.1 Å²	69.1	82%	0.816	41%	0.408	S	S	*	.	S	Bend	trans	-71.9	-15.5	173.1	50.4	0	0	0	0	112	E743	T713-E743 PolarHBondContact O-N 3.46Å
714	C	65.3	Low	77.4	Confident	39 Å²	39	67.7 Å²	67.7	26%	0.264	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-135.8	154.9	174	73.7	0	0	0	0	110.8	S712 E743 C745	S712-C714 WeakPolarHBondContact CB-O 3.47Å; S712-C714 PolarHBondContact O-N 2.98Å; C714-E743 CarbonylContact C-O 3.53Å; C714-E743 VanDerWaalsContact C-O 3.22Å; C714-E743 WeakPolarHBondContact CA-O 3.5Å; C714-E743 WeakPolarHBondContact CB-O 3.46Å; C714-C745 VanDerWaalsContact CA-SG 3.57Å; C714-C745 HydrophobicContact CB-CB 3.86Å; C714-C745 WeakPolarHBondContact CB-SG 3.32Å; C714-C745 PolarHBondContact O-SG 3.39Å; C714-C745 WeakPolarHBondContact SG-CA 3.37Å; C714-C745 WeakPolarHBondContact SG-CB 3.34Å; C714-C745 CovalentContact SG-SG 2.05Å; C714-C745 PolarHBondContact SG-SG 3.49Å
715	G	51.9	Low	76.7	Confident	22 Å²	22	66.5 Å²	66.5	23%	0.227	40%	0.401	C	S	.	.	S	Bend	trans	71.2	-169.2	174.7	0	0	0	0	0	113.8	G717 G742 E743 C745	G715-G717 PolarHBondContact O-N 2.62Å; G715-G717 VanDerWaalsContact O-N 3.09Å; G715-G742 PolarHBondContact O-N 3.06Å; G715-E743 PolarHBondContact N-O 3.29Å; G715-C745 PolarHBondContact N-SG 2.79Å
716	A	65.6	Low	76.1	Confident	90 Å²	90	69.6 Å²	69.6	74%	0.744	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	106.6	175.2	0	0	0	0	0	109.2
717	G	76.8	Confident	74.7	Confident	4 Å²	4	66.1 Å²	66.1	4%	0.041	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-175.6	167.2	0	0	0	0	0	110.7	G715 C740	G715-G717 PolarHBondContact O-N 2.62Å; G715-G717 VanDerWaalsContact O-N 3.09Å; G717-C740 CarbonylContact C-O 3.54Å; G717-C740 PolarHBondContact N-O 3.03Å; G717-C740 PolarHBondContact O-N 2.85Å
718	Y	80.1	Confident	73.5	Confident	117 Å²	117	71.7 Å²	71.7	46%	0.459	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.9	169.2	47.6	-84	0	0	0	108	S711 E737 I738 C740	S711-Y718 VanDerWaalsContact CB-O 3.23Å; S711-Y718 WeakPolarHBondContact CB-O 3.05Å; S711-Y718 PolarHBondContact N-O 2.92Å; S711-Y718 WeakPolarHBondContact OG-CD1 3.32Å; S711-Y718 WeakPolarHBondContact OG-CE1 3.21Å; S711-Y718 PolarHBondContact OG-N 2.78Å; S711-Y718 PolarHBondContact OG-O 3.14Å; S711-Y718 VanDerWaalsContact OG-O 3.11Å; Y718-E737 HydrophobicContact CD2-CG 4.34Å; Y718-I738 WeakPolarHBondContact CA-O 3.32Å; Y718-C740 WeakPolarHBondContact CA-SG 3.46Å; Y718-C740 PolarHBondContact N-SG 3.49Å
719	R	84.6	Confident	72	Confident	109 Å²	109	72.2 Å²	72.2	41%	0.411	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.1	164.9	56.9	177.8	-177.2	-174.5	-1.1	107.4	W707 T708 E737 I738 C740	W707-R719 HydrophobicContact CD2-CG 4.21Å; W707-R719 HydrophobicContact CE3-CB 4.02Å; W707-R719 HydrophobicContact CE3-CG 3.64Å; W707-R719 HydrophobicContact CZ3-CG 4.13Å; W707-R719 WeakPolarHBondContact CZ3-O 3.46Å; T708-R719 WeakPolarHBondContact O-CB 3.49Å; R719-E737 WeakPolarHBondContact O-CA 2.97Å; R719-I738 PolarHBondContact N-O 3.42Å; R719-I738 PolarHBondContact O-N 3.48Å; R719-I738 VanDerWaalsContact O-N 3.09Å; R719-C740 PolarHBondContact N-SG 3.22Å
720	S	78.3	Confident	71.3	Confident	19 Å²	19	69.1 Å²	69.1	13%	0.133	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.8	-178.6	57.1	0	0	0	0	109.9	W707 T708 E736	W707-S720 VanDerWaalsContact CE3-C 3.49Å; T708-S720 WeakPolarHBondContact CG2-O 3.4Å; T708-S720 PolarHBondContact N-O 3.04Å; T708-S720 PolarHBondContact OG1-N 3.04Å; T708-S720 PolarHBondContact OG1-O 2.92Å; T708-S720 PolarHBondContact OG1-OG 3.01Å; S720-E736 VanDerWaalsContact CA-O 3.28Å; S720-E736 WeakPolarHBondContact CA-O 3.41Å
721	R	84	Confident	70.3	Confident	60 Å²	60	71.3 Å²	71.3	23%	0.226	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.8	163.7	61.2	177.3	179.8	-171.1	-4.5	108.6	W704 W707 E736	W704-R721 HydrophobicContact CD2-CG 4.15Å; W704-R721 HydrophobicContact CE3-CB 4.2Å; W704-R721 HydrophobicContact CE3-CG 3.54Å; W704-R721 HydrophobicContact CZ3-CG 3.89Å; W704-R721 WeakPolarHBondContact CZ3-O 3.3Å; W707-R721 HydrophobicContact CD2-CB 4.06Å; W707-R721 HydrophobicContact CD2-CG 4Å; W707-R721 VanDerWaalsContact CE2-CD 3.45Å; W707-R721 HydrophobicContact CE3-CB 3.88Å; W707-R721 HydrophobicContact CE3-CG 3.84Å; W707-R721 HydrophobicContact CH2-CG 3.6Å; W707-R721 VanDerWaalsContact CZ2-CD 3.41Å; W707-R721 HydrophobicContact CZ2-CG 3.81Å; W707-R721 VanDerWaalsContact CZ2-CZ 3.43Å; W707-R721 HydrophobicContact CZ3-CB 4.13Å; W707-R721 HydrophobicContact CZ3-CG 3.64Å; R721-E736 HydrophobicContact CG-CB 4.23Å; R721-E736 IonicContact CZ-OE2 2.65Å; R721-E736 PolarHBondContact N-O 2.84Å; R721-E736 IonicContact NE-OE2 3.11Å; R721-E736 PolarHBondContact NE-OE2 3.29Å; R721-E736 IonicContact NH2-OE1 2.69Å; R721-E736 IonicContact NH2-OE2 3.21Å; R721-E736 PolarHBondContact NH2-OE2 3.43Å; R721-E736 PolarHBondContact O-N 2.92Å
722	L	83.1	Confident	69.9	Low	89 Å²	89	71.3 Å²	71.3	47%	0.466	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.7	-179.6	-77.5	88.2	0	0	0	110.4	W704 S705 A734 Q735	W704-L722 VanDerWaalsContact CE3-C 3.5Å; S705-L722 WeakPolarHBondContact CB-O 3.14Å; S705-L722 PolarHBondContact N-O 3.4Å; S705-L722 PolarHBondContact OG-N 2.89Å; S705-L722 PolarHBondContact OG-O 3.46Å; L722-A734 WeakPolarHBondContact CA-O 3.49Å; L722-Q735 HydrophobicContact CG-CB 4.44Å; L722-Q735 HydrophobicContact CG-CG 4.5Å
723	R	79.9	Confident	70.4	Confident	51 Å²	51	72.8 Å²	72.8	19%	0.192	43%	0.432	C	S	.	.			trans	-132.5	146.3	164.6	58.4	177.5	179.6	-161	0.2	108	W701 W704 S733 A734	W701-R723 HydrophobicContact CD2-CG 4.01Å; W701-R723 VanDerWaalsContact CD2-NE 3.33Å; W701-R723 HydrophobicContact CE3-CB 4.19Å; W701-R723 HydrophobicContact CE3-CG 3.42Å; W701-R723 VanDerWaalsContact CE3-CG 3.42Å; W701-R723 HydrophobicContact CZ3-CG 3.86Å; W704-R723 HydrophobicContact CD2-CB 3.94Å; W704-R723 HydrophobicContact CD2-CG 3.97Å; W704-R723 VanDerWaalsContact CE2-CD 3.47Å; W704-R723 HydrophobicContact CE3-CB 3.67Å; W704-R723 HydrophobicContact CE3-CG 3.66Å; W704-R723 HydrophobicContact CG-CB 4.48Å; W704-R723 HydrophobicContact CH2-CG 3.68Å; W704-R723 VanDerWaalsContact CZ2-CD 3.42Å; W704-R723 HydrophobicContact CZ2-CG 4Å; W704-R723 VanDerWaalsContact CZ2-NE 3.27Å; W704-R723 HydrophobicContact CZ3-CB 4.02Å; W704-R723 HydrophobicContact CZ3-CG 3.5Å; R723-S733 PolarHBondContact NE-O 3.49Å; R723-S733 PolarHBondContact NH2-O 3.47Å; R723-A734 PolarHBondContact N-O 3.42Å; R723-A734 VanDerWaalsContact O-O 3.13Å
724	S	76.5	Confident	70.7	Confident	80 Å²	80	68.6 Å²	68.6	56%	0.559	41%	0.411	S	S	*	.			trans	-98	135.9	178.8	-57.4	0	0	0	0	109.2	S702 L726	S702-S724 WeakPolarHBondContact CB-O 3.44Å; S702-S724 PolarHBondContact N-O 3.49Å; S702-S724 PolarHBondContact OG-N 2.96Å; S702-S724 PolarHBondContact OG-O 2.92Å; S724-L726 PolarHBondContact O-N 2.87Å
725	C	70.4	Confident	71.3	Confident	51 Å²	51	70.7 Å²	70.7	35%	0.345	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-69.6	122.1	171	179.8	0	0	0	0	108.2	W701 S727 C730	W701-C725 HydrophobicContact CE3-CB 4.09Å; W701-C725 HydrophobicContact CH2-CB 4.24Å; W701-C725 HydrophobicContact CZ3-CB 3.82Å; C725-S727 VanDerWaalsContact C-N 3.34Å; C725-S727 VanDerWaalsContact SG-C 3.59Å; C725-S727 PolarHBondContact SG-O 2.84Å; C725-C730 WeakPolarHBondContact CA-SG 3.44Å; C725-C730 HydrophobicContact CB-CB 3.72Å; C725-C730 WeakPolarHBondContact CB-SG 3.44Å; C725-C730 WeakPolarHBondContact SG-CB 3.11Å; C725-C730 PolarHBondContact SG-N 2.81Å; C725-C730 CovalentContact SG-SG 2.01Å; C725-C730 PolarHBondContact SG-SG 2.96Å
726	L	70.6	Confident	72.9	Confident	120 Å²	120	72.8 Å²	72.8	63%	0.628	42%	0.421	S	S	*	.	S	Bend	trans	-89.6	-5.2	176	-65.7	159.5	0	0	0	111.6	K700 S724	K700-L726 WeakPolarHBondContact O-CA 3.2Å; K700-L726 WeakPolarHBondContact O-CB 3.49Å; K700-L726 PolarHBondContact O-N 3.46Å; S724-L726 PolarHBondContact O-N 2.87Å
727	S	57.9	Low	73.7	Confident	36 Å²	36	73.3 Å²	73.3	25%	0.252	41%	0.408	S	S	.	.	S	Bend	trans	-108.6	178.3	173.3	-66.9	0	0	0	0	111.5	K700 C725	K700-S727 PolarHBondContact N-OG 3.16Å; C725-S727 VanDerWaalsContact C-N 3.34Å; C725-S727 VanDerWaalsContact SG-C 3.59Å; C725-S727 PolarHBondContact SG-O 2.84Å
728	Q	59	Low	73.8	Confident	189 Å²	189	75.8 Å²	75.8	88%	0.883	42%	0.42	S	S	*	.	S	Bend	trans	-76.2	-25.5	176.8	-66.4	-175.8	33.6	0	0	112.9
729	S	50.3	Low	73.3	Confident	73 Å²	73	75.7 Å²	75.7	51%	0.51	43%	0.433	S	S	.	.			trans	-144	114.3	178.2	28	0	0	0	0	108.8
730	C	66.2	Low	73	Confident	24 Å²	24	71.5 Å²	71.5	16%	0.162	42%	0.42	C	S	.	.			trans	-115.3	134.5	172.8	-57.2	0	0	0	0	109.8	D699 K700 W701 C725	D699-C730 WeakPolarHBondContact OD1-CA 3.34Å; D699-C730 WeakPolarHBondContact OD1-CB 3.34Å; K700-C730 PolarHBondContact O-SG 3.38Å; W701-C730 HydrophobicContact CD2-CB 3.79Å; W701-C730 HydrophobicContact CE3-CB 4.31Å; W701-C730 HydrophobicContact CG-CB 4.33Å; W701-C730 HydrophobicContact CH2-CB 3.92Å; W701-C730 HydrophobicContact CZ2-CB 3.31Å; W701-C730 HydrophobicContact CZ3-CB 4.38Å; C725-C730 WeakPolarHBondContact CA-SG 3.44Å; C725-C730 HydrophobicContact CB-CB 3.72Å; C725-C730 WeakPolarHBondContact CB-SG 3.44Å; C725-C730 WeakPolarHBondContact SG-CB 3.11Å; C725-C730 PolarHBondContact SG-N 2.81Å; C725-C730 CovalentContact SG-SG 2.01Å; C725-C730 PolarHBondContact SG-SG 2.96Å
731	S	61.5	Low	72.5	Confident	91 Å²	91	79.4 Å²	79.4	64%	0.636	46%	0.455	S	S	*	.	S	Bend	trans	-86.5	138.8	179.9	-50.7	0	0	0	0	110	D699 W701	D699-S731 VanDerWaalsContact CG-N 3.27Å; D699-S731 PolarHBondContact OD1-N 3.06Å; D699-S731 VanDerWaalsContact OD1-N 3.09Å; D699-S731 WeakPolarHBondContact OD2-CB 3.39Å; D699-S731 PolarHBondContact OD2-N 2.85Å; D699-S731 PolarHBondContact OD2-OG 2.87Å; D699-S731 VanDerWaalsContact OD2-OG 3.11Å; W701-S731 PolarHBondContact NE1-O 3.31Å
732	G	71.5	Confident	71.4	Confident	59 Å²	59	77.5 Å²	77.5	61%	0.608	45%	0.454	S	S	*	.	S	Bend	trans	98.6	169.5	-173.5	0	0	0	0	0	112.9	W701	W701-G732 WeakPolarHBondContact CZ2-O 3.36Å
733	S	72.2	Confident	70.3	Confident	73 Å²	73	81.1 Å²	81.1	51%	0.51	47%	0.469	S	S	.	.			trans	-75.5	142.2	-177	-170.8	0	0	0	0	111.7	R723 Q735	R723-S733 PolarHBondContact NE-O 3.49Å; R723-S733 PolarHBondContact NH2-O 3.47Å; S733-Q735 WeakPolarHBondContact CB-O 3.38Å; S733-Q735 PolarHBondContact OG-N 3Å; S733-Q735 VanDerWaalsContact OG-N 3.17Å; S733-Q735 PolarHBondContact OG-O 3.25Å
734	A	79.3	Confident	68.4	Low	45 Å²	45	88.4 Å²	88.4	37%	0.372	50%	0.502	S	S	.	.	S	Bend	trans	-73.9	-13.9	168.3	0	0	0	0	0	112.4	W701 L722 R723	W701-A734 HydrophobicContact CH2-CB 3.73Å; W701-A734 HydrophobicContact CZ3-CB 3.64Å; L722-A734 WeakPolarHBondContact CA-O 3.49Å; R723-A734 PolarHBondContact N-O 3.42Å; R723-A734 VanDerWaalsContact O-O 3.13Å
735	Q	76.9	Confident	67	Low	83 Å²	83	87.5 Å²	87.5	39%	0.388	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.4	-177	177.9	173.7	-20.8	0	0	109.4	L722 S733 E737	L722-Q735 HydrophobicContact CG-CB 4.44Å; L722-Q735 HydrophobicContact CG-CG 4.5Å; S733-Q735 WeakPolarHBondContact CB-O 3.38Å; S733-Q735 PolarHBondContact OG-N 3Å; S733-Q735 VanDerWaalsContact OG-N 3.17Å; S733-Q735 PolarHBondContact OG-O 3.25Å; Q735-E737 HydrophobicContact CG-CG 4.31Å; Q735-E737 PolarHBondContact NE2-OE1 3.27Å
736	E	85.9	Confident	65.9	Low	66 Å²	66	90.2 Å²	90.2	31%	0.308	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.9	173.4	-170.3	-178.9	-173	0	0	108.4	W704 W707 S720 R721 I738	W704-E736 HydrophobicContact CH2-CB 3.63Å; W704-E736 HydrophobicContact CZ2-CB 4.28Å; W704-E736 HydrophobicContact CZ3-CB 4Å; W707-E736 HydrophobicContact CH2-CB 4.27Å; W707-E736 HydrophobicContact CH2-CG 4.04Å; W707-E736 WeakPolarHBondContact CZ3-O 3.34Å; S720-E736 VanDerWaalsContact CA-O 3.28Å; S720-E736 WeakPolarHBondContact CA-O 3.41Å; R721-E736 HydrophobicContact CG-CB 4.23Å; R721-E736 IonicContact CZ-OE2 2.65Å; R721-E736 PolarHBondContact N-O 2.84Å; R721-E736 IonicContact NE-OE2 3.11Å; R721-E736 PolarHBondContact NE-OE2 3.29Å; R721-E736 IonicContact NH2-OE1 2.69Å; R721-E736 IonicContact NH2-OE2 3.21Å; R721-E736 PolarHBondContact NH2-OE2 3.43Å; R721-E736 PolarHBondContact O-N 2.92Å; E736-I738 HydrophobicContact CG-CG1 4.48Å
737	E	83.5	Confident	64.9	Low	100 Å²	100	89.9 Å²	89.9	47%	0.467	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.3	177	-70.6	-172.5	161.7	0	0	109.3	Y718 R719 Q735	Y718-E737 HydrophobicContact CD2-CG 4.34Å; R719-E737 WeakPolarHBondContact O-CA 2.97Å; Q735-E737 HydrophobicContact CG-CG 4.31Å; Q735-E737 PolarHBondContact NE2-OE1 3.27Å
738	I	78	Confident	65	Low	57 Å²	57	93 Å²	93	29%	0.292	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.5	177.2	-50.7	175.4	0	0	0	107.8	W707 Y718 R719 E736 C740	W707-I738 HydrophobicContact CH2-CB 4.37Å; W707-I738 HydrophobicContact CH2-CD1 3.2Å; W707-I738 HydrophobicContact CH2-CG1 3.46Å; W707-I738 VanDerWaalsContact CH2-CG1 3.46Å; W707-I738 HydrophobicContact CZ2-CD1 3.33Å; W707-I738 HydrophobicContact CZ2-CG1 4.14Å; W707-I738 HydrophobicContact CZ3-CD1 4.13Å; W707-I738 HydrophobicContact CZ3-CG1 4.06Å; Y718-I738 WeakPolarHBondContact CA-O 3.32Å; R719-I738 PolarHBondContact N-O 3.42Å; R719-I738 PolarHBondContact O-N 3.48Å; R719-I738 VanDerWaalsContact O-N 3.09Å; E736-I738 HydrophobicContact CG-CG1 4.48Å; I738-C740 PolarHBondContact O-N 2.77Å
739	P	69.4	Low	65.4	Low	114 Å²	114	86.4 Å²	86.4	74%	0.74	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	135	174	-21.6	31.1	0	0	0	111.4
740	C	79.2	Confident	66.4	Low	21 Å²	21	85.1 Å²	85.1	14%	0.142	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.9	165.3	54	0	0	0	0	108.8	C710 G717 Y718 R719 I738	C710-C740 WeakPolarHBondContact CA-SG 3.48Å; C710-C740 HydrophobicContact CB-CB 4.02Å; C710-C740 WeakPolarHBondContact CB-SG 3.38Å; C710-C740 WeakPolarHBondContact SG-CB 3.1Å; C710-C740 CovalentContact SG-SG 2.04Å; C710-C740 PolarHBondContact SG-SG 3.3Å; G717-C740 CarbonylContact C-O 3.54Å; G717-C740 PolarHBondContact N-O 3.03Å; G717-C740 PolarHBondContact O-N 2.85Å; Y718-C740 WeakPolarHBondContact CA-SG 3.46Å; Y718-C740 PolarHBondContact N-SG 3.49Å; R719-C740 PolarHBondContact N-SG 3.22Å; I738-C740 PolarHBondContact O-N 2.77Å
741	Q	67.9	Low	66.9	Low	185 Å²	185	91.5 Å²	91.5	86%	0.864	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	116.6	173.2	-66.8	-161.1	2	0	0	108.9
742	G	60.5	Low	67.9	Low	21 Å²	21	90.4 Å²	90.4	22%	0.216	51%	0.51	C	S	.	.			trans	-79	174.5	159.9	0	0	0	0	0	110.8	G715	G715-G742 PolarHBondContact O-N 3.06Å
743	E	59.8	Low	68.2	Low	164 Å²	164	90 Å²	90	77%	0.766	50%	0.498	S	S	*	.	B	Isolated β-bridge	trans	-62.9	155.5	177.4	-64.6	-170.6	164.6	0	0	111.3	T713 C714 G715 C745	T713-E743 PolarHBondContact O-N 3.46Å; C714-E743 CarbonylContact C-O 3.53Å; C714-E743 VanDerWaalsContact C-O 3.22Å; C714-E743 WeakPolarHBondContact CA-O 3.5Å; C714-E743 WeakPolarHBondContact CB-O 3.46Å; G715-E743 PolarHBondContact N-O 3.29Å; E743-C745 PolarHBondContact O-N 2.92Å; E743-C745 VanDerWaalsContact O-N 3.08Å
744	K	40.5	Very low	68.6	Low	205 Å²	205	90.8 Å²	90.8	89%	0.891	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-55.8	121.6	-175.5	-84.8	-179.9	174	177.8	0	112.2
745	C	45.9	Very low	68.5	Low	60 Å²	60	91.9 Å²	91.9	41%	0.405	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.8	136.4	175.1	-72.4	0	0	0	0	111.2	C714 G715 E743 S747	C714-C745 VanDerWaalsContact CA-SG 3.57Å; C714-C745 HydrophobicContact CB-CB 3.86Å; C714-C745 WeakPolarHBondContact CB-SG 3.32Å; C714-C745 PolarHBondContact O-SG 3.39Å; C714-C745 WeakPolarHBondContact SG-CA 3.37Å; C714-C745 WeakPolarHBondContact SG-CB 3.34Å; C714-C745 CovalentContact SG-SG 2.05Å; C714-C745 PolarHBondContact SG-SG 3.49Å; G715-C745 PolarHBondContact N-SG 2.79Å; E743-C745 PolarHBondContact O-N 2.92Å; E743-C745 VanDerWaalsContact O-N 3.08Å; C745-S747 PolarHBondContact O-N 2.9Å
746	P	47.9	Very low	68.3	Low	108 Å²	108	90.4 Å²	90.4	70%	0.701	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-62.7	122.6	166.3	-17.6	30.7	0	0	0	110.3	T748	P746-T748 PolarHBondContact O-N 3.32Å
747	S	49.5	Very low	67.8	Low	113 Å²	113	95.1 Å²	95.1	79%	0.79	53%	0.529	S	S	*	.			trans	-88.5	67.8	-173.9	56	0	0	0	0	112.1	C745	C745-S747 PolarHBondContact O-N 2.9Å
748	T	59.5	Low	67.5	Low	102 Å²	102	92.6 Å²	92.6	63%	0.626	52%	0.522	S	S	*	.			trans	-129.6	141.2	-178	54.9	0	0	0	0	112.8	P746	P746-T748 PolarHBondContact O-N 3.32Å
749	W	67.3	Low	66.9	Low	51 Å²	51	93.5 Å²	93.5	19%	0.193	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-49.1	149.4	172.2	-71.8	96.2	0	0	0	112.5	R771 C773 C779 S780 G781 A783	W749-R771 HydrophobicContact CD2-CG 4.13Å; W749-R771 HydrophobicContact CE3-CB 4.4Å; W749-R771 HydrophobicContact CE3-CG 3.61Å; W749-R771 HydrophobicContact CZ3-CG 4.07Å; W749-C773 HydrophobicContact CE3-CB 4.06Å; W749-C773 HydrophobicContact CH2-CB 4.35Å; W749-C773 HydrophobicContact CZ3-CB 3.8Å; W749-C779 HydrophobicContact CD2-CB 3.88Å; W749-C779 VanDerWaalsContact CE2-CB 3.46Å; W749-C779 HydrophobicContact CE3-CB 4.26Å; W749-C779 HydrophobicContact CG-CB 4.49Å; W749-C779 HydrophobicContact CH2-CB 3.88Å; W749-C779 HydrophobicContact CZ2-CB 3.46Å; W749-C779 VanDerWaalsContact CZ2-CB 3.46Å; W749-C779 WeakPolarHBondContact CZ2-O 3.49Å; W749-C779 HydrophobicContact CZ3-CB 4.27Å; W749-S780 PolarHBondContact NE1-O 2.89Å; W749-S780 VanDerWaalsContact NE1-O 3.14Å; W749-G781 VanDerWaalsContact CZ2-O 3.25Å; W749-G781 WeakPolarHBondContact CZ2-O 3.33Å; W749-A783 HydrophobicContact CH2-CB 3.95Å; W749-A783 HydrophobicContact CZ3-CB 4.09Å
750	S	73	Confident	66.3	Low	46 Å²	46	91.2 Å²	91.2	32%	0.322	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-64.1	161.4	162	59.5	0	0	0	0	111.3	K772	S750-K772 WeakPolarHBondContact CB-O 3.13Å; S750-K772 PolarHBondContact N-O 3.33Å; S750-K772 WeakPolarHBondContact OG-CA 3.48Å; S750-K772 PolarHBondContact OG-N 3.29Å; S750-K772 PolarHBondContact OG-O 3.36Å
751	D	76.7	Confident	65.8	Low	157 Å²	157	95.6 Å²	95.6	84%	0.84	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-56.5	145.1	175.5	-65.7	-44.4	0	0	0	111.5
752	W	82	Confident	65.8	Low	68 Å²	68	88.1 Å²	88.1	26%	0.258	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-63	141.3	173.4	-75.1	104.3	0	0	0	111.3	R769 S770 R771 K782 E785	W752-R769 HydrophobicContact CD2-CG 4.05Å; W752-R769 HydrophobicContact CE3-CB 4.1Å; W752-R769 HydrophobicContact CE3-CG 3.5Å; W752-R769 HydrophobicContact CZ3-CG 3.88Å; W752-R769 WeakPolarHBondContact CZ3-O 3.27Å; W752-S770 VanDerWaalsContact CE3-C 3.49Å; W752-R771 HydrophobicContact CD2-CB 4.07Å; W752-R771 HydrophobicContact CD2-CG 3.93Å; W752-R771 HydrophobicContact CE3-CB 3.87Å; W752-R771 HydrophobicContact CE3-CG 3.72Å; W752-R771 HydrophobicContact CG-CB 4.5Å; W752-R771 HydrophobicContact CH2-CG 3.91Å; W752-R771 HydrophobicContact CZ2-CG 4.1Å; W752-R771 HydrophobicContact CZ3-CB 4.3Å; W752-R771 HydrophobicContact CZ3-CG 3.71Å; W752-K782 WeakPolarHBondContact CH2-O 3.5Å; W752-E785 HydrophobicContact CH2-CB 3.67Å; W752-E785 HydrophobicContact CZ2-CB 4.3Å; W752-E785 HydrophobicContact CZ3-CB 4.01Å
753	S	77.3	Confident	65.7	Low	51 Å²	51	89.4 Å²	89.4	36%	0.357	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-59.7	158.5	164.9	74.1	0	0	0	0	110.7	S770	S753-S770 WeakPolarHBondContact CB-O 3.34Å; S753-S770 PolarHBondContact N-O 2.96Å; S753-S770 PolarHBondContact OG-N 3.47Å; S753-S770 PolarHBondContact OG-O 2.82Å
754	A	79.7	Confident	65.9	Low	90 Å²	90	82.9 Å²	82.9	74%	0.744	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-54.1	146.1	164.6	0	0	0	0	0	110.2
755	W	79	Confident	67.3	Low	67 Å²	67	73.1 Å²	73.1	25%	0.254	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-62.7	140.1	172	-74.2	107.6	0	0	0	110.3	R767 L768 R769 E785 E787	W755-R767 HydrophobicContact CD2-CG 4.07Å; W755-R767 HydrophobicContact CE3-CB 4.08Å; W755-R767 HydrophobicContact CE3-CG 3.61Å; W755-R767 HydrophobicContact CZ3-CG 4.07Å; W755-R767 WeakPolarHBondContact CZ3-O 3.35Å; W755-L768 CarbonylContact C-O 3.38Å; W755-L768 WeakPolarHBondContact CA-O 3.11Å; W755-R769 HydrophobicContact CD2-CB 3.94Å; W755-R769 HydrophobicContact CD2-CG 3.9Å; W755-R769 VanDerWaalsContact CE2-CD 3.4Å; W755-R769 HydrophobicContact CE3-CB 3.78Å; W755-R769 HydrophobicContact CE3-CG 3.75Å; W755-R769 HydrophobicContact CG-CB 4.47Å; W755-R769 HydrophobicContact CH2-CG 3.62Å; W755-R769 VanDerWaalsContact CZ2-CD 3.42Å; W755-R769 HydrophobicContact CZ2-CG 3.78Å; W755-R769 VanDerWaalsContact CZ2-CZ 3.48Å; W755-R769 HydrophobicContact CZ3-CB 4.1Å; W755-R769 HydrophobicContact CZ3-CG 3.61Å; W755-E785 HydrophobicContact CH2-CB 4.29Å; W755-E785 HydrophobicContact CH2-CG 4.07Å; W755-E785 WeakPolarHBondContact CZ3-O 3.32Å; W755-E787 HydrophobicContact CH2-CB 3.53Å; W755-E787 HydrophobicContact CZ2-CB 4.07Å; W755-E787 WeakPolarHBondContact CZ2-OE2 3.24Å; W755-E787 HydrophobicContact CZ3-CB 3.86Å
756	S	72.9	Confident	68.4	Low	53 Å²	53	74.5 Å²	74.5	37%	0.371	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-61.1	163.4	167.6	72.2	0	0	0	0	111	L768	S756-L768 PolarHBondContact N-O 2.92Å; S756-L768 PolarHBondContact OG-N 3.43Å
757	L	73.8	Confident	69.9	Low	164 Å²	164	73.3 Å²	73.3	86%	0.859	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-55.6	148.3	163.7	-65.4	170.9	0	0	0	109.6
758	C	76.9	Confident	71.2	Confident	48 Å²	48	71.3 Å²	71.3	32%	0.324	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-66.2	135.6	176.2	-165.4	0	0	0	0	109.2	L760 C789	C758-L760 PolarHBondContact O-N 3.4Å; C758-L760 PolarHBondContact SG-O 3.1Å; C758-C789 VanDerWaalsContact CA-SG 3.53Å; C758-C789 HydrophobicContact CB-CB 4.01Å; C758-C789 WeakPolarHBondContact CB-SG 3.26Å; C758-C789 WeakPolarHBondContact SG-CB 3.36Å; C758-C789 CovalentContact SG-SG 2.02Å; C758-C789 PolarHBondContact SG-SG 2.93Å
759	S	65.4	Low	72.2	Confident	75 Å²	75	69.4 Å²	69.4	52%	0.524	41%	0.406	S	S	.	.	S	Bend	trans	-63.4	-26.5	-179.2	67.5	0	0	0	0	113.1	G765 L766	S759-G765 WeakPolarHBondContact OG-CA 3.42Å; S759-L766 WeakPolarHBondContact CB-O 3.44Å; S759-L766 PolarHBondContact N-O 3.49Å; S759-L766 PolarHBondContact OG-N 3.13Å; S759-L766 PolarHBondContact OG-O 3.21Å
760	L	57.4	Low	72.4	Confident	67 Å²	67	69.6 Å²	69.6	35%	0.351	42%	0.415	S	S	.	.			trans	-137.7	154.2	-177.9	-58.7	173.5	0	0	0	110.4	C758 A790 E831	C758-L760 PolarHBondContact O-N 3.4Å; C758-L760 PolarHBondContact SG-O 3.1Å; L760-A790 WeakPolarHBondContact O-CB 3.37Å; L760-E831 WeakPolarHBondContact CD2-OE1 3.33Å
761	S	69.8	Low	72.3	Confident	112 Å²	112	70 Å²	70	78%	0.783	41%	0.41	S	S	*	.	S	Bend	trans	-96.1	-14.7	-178.4	48.1	0	0	0	0	114.6
762	C	67.5	Low	71.7	Confident	29 Å²	29	70.6 Å²	70.6	20%	0.196	41%	0.405	C	S	.	.	S	Bend	trans	-152.6	172.8	168.9	63.9	0	0	0	0	108.9	G764 A790 C794	C762-G764 VanDerWaalsContact C-N 3.3Å; C762-G764 PolarHBondContact O-N 3.25Å; C762-A790 CarbonylContact C-O 3.46Å; C762-A790 WeakPolarHBondContact CA-O 3.2Å; C762-C794 HydrophobicContact CB-CB 4.19Å; C762-C794 WeakPolarHBondContact CB-SG 3.37Å; C762-C794 PolarHBondContact O-SG 3.12Å; C762-C794 WeakPolarHBondContact SG-CB 3.49Å; C762-C794 CovalentContact SG-SG 2.06Å; C762-C794 PolarHBondContact SG-SG 3.42Å
763	G	58.2	Low	70.8	Confident	48 Å²	48	69.5 Å²	69.5	50%	0.495	41%	0.407	S	S	.	.	S	Bend	trans	82.2	-1.6	171.8	0	0	0	0	0	115.9	A790 D792 C794	G763-A790 PolarHBondContact N-O 3.22Å; G763-D792 PolarHBondContact N-O 2.79Å; G763-C794 VanDerWaalsContact CA-SG 3.6Å; G763-C794 PolarHBondContact N-SG 3.11Å
764	G	63.4	Low	70	Confident	26 Å²	26	70.9 Å²	70.9	27%	0.268	42%	0.415	S	S	.	.			trans	93.5	84.6	-177.4	0	0	0	0	0	112.5	C762 C789 A790	C762-G764 VanDerWaalsContact C-N 3.3Å; C762-G764 PolarHBondContact O-N 3.25Å; G764-C789 CarbonylContact C-O 3.41Å; G764-C789 WeakPolarHBondContact CA-O 3.38Å; G764-A790 WeakPolarHBondContact CA-O 3.25Å; G764-A790 PolarHBondContact N-O 2.99Å
765	G	70	Confident	68.5	Low	1 Å²	1	72.1 Å²	72.1	1%	0.01	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	175	165.7	0	0	0	0	0	113.1	S759 Q788 C789	S759-G765 WeakPolarHBondContact OG-CA 3.42Å; G765-Q788 CarbonylContact O-C 3.6Å; G765-Q788 VanDerWaalsContact O-CA 3.29Å; G765-Q788 WeakPolarHBondContact O-CA 3.26Å; G765-C789 PolarHBondContact N-O 3.14Å; G765-C789 PolarHBondContact O-N 3.11Å; G765-C789 VanDerWaalsContact O-O 3.14Å
766	L	69.8	Low	66.7	Low	89 Å²	89	78.3 Å²	78.3	47%	0.466	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.4	176.2	-67.5	168.4	0	0	0	110	S759 E787 Q788 C789	S759-L766 WeakPolarHBondContact CB-O 3.44Å; S759-L766 PolarHBondContact N-O 3.49Å; S759-L766 PolarHBondContact OG-N 3.13Å; S759-L766 PolarHBondContact OG-O 3.21Å; L766-E787 WeakPolarHBondContact CA-O 3.47Å; L766-Q788 HydrophobicContact CD2-CG 4.02Å; L766-C789 VanDerWaalsContact C-SG 3.56Å
767	R	78.4	Confident	65.3	Low	82 Å²	82	77.8 Å²	77.8	31%	0.309	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.9	165.9	60.2	179.8	-172.5	-173.3	-5.1	110.4	W755 F786 E787 C789	W755-R767 HydrophobicContact CD2-CG 4.07Å; W755-R767 HydrophobicContact CE3-CB 4.08Å; W755-R767 HydrophobicContact CE3-CG 3.61Å; W755-R767 HydrophobicContact CZ3-CG 4.07Å; W755-R767 WeakPolarHBondContact CZ3-O 3.35Å; R767-F786 WeakPolarHBondContact O-CA 3.22Å; R767-E787 HydrophobicContact CG-CB 4.05Å; R767-E787 IonicContact CZ-OE2 3.99Å; R767-E787 PolarHBondContact N-O 3.39Å; R767-E787 IonicContact NE-OE2 3.57Å; R767-E787 PolarHBondContact NE-OE2 2.88Å; R767-E787 IonicContact NH2-OE1 3.6Å; R767-E787 PolarHBondContact NH2-OE1 3.32Å; R767-E787 IonicContact NH2-OE2 2.72Å; R767-E787 PolarHBondContact NH2-OE2 3.03Å; R767-E787 PolarHBondContact O-N 3.25Å; R767-C789 HydrophobicContact CG-CB 4.28Å
768	L	77.2	Confident	64.4	Low	71 Å²	71	77.1 Å²	77.1	37%	0.372	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.2	-171.4	178.4	88.5	0	0	0	111	W755 S756 I784 E785 F786	W755-L768 CarbonylContact C-O 3.38Å; W755-L768 WeakPolarHBondContact CA-O 3.11Å; S756-L768 PolarHBondContact N-O 2.92Å; S756-L768 PolarHBondContact OG-N 3.43Å; L768-I784 HydrophobicContact CD1-CG2 3.3Å; L768-I784 HydrophobicContact CG-CG2 4.34Å; L768-E785 WeakPolarHBondContact CA-O 3.38Å; L768-F786 HydrophobicContact CD1-CD1 3.84Å; L768-F786 HydrophobicContact CD1-CE1 3.41Å; L768-F786 VanDerWaalsContact CD1-CE1 3.41Å; L768-F786 HydrophobicContact CD1-CE2 4.45Å; L768-F786 HydrophobicContact CD1-CZ 3.75Å
769	R	80	Confident	63.8	Low	63 Å²	63	76.1 Å²	76.1	24%	0.238	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.6	162.1	64.1	176.2	-179.4	-170	-2.9	111.4	W752 W755 I784 E785	W752-R769 HydrophobicContact CD2-CG 4.05Å; W752-R769 HydrophobicContact CE3-CB 4.1Å; W752-R769 HydrophobicContact CE3-CG 3.5Å; W752-R769 HydrophobicContact CZ3-CG 3.88Å; W752-R769 WeakPolarHBondContact CZ3-O 3.27Å; W755-R769 HydrophobicContact CD2-CB 3.94Å; W755-R769 HydrophobicContact CD2-CG 3.9Å; W755-R769 VanDerWaalsContact CE2-CD 3.4Å; W755-R769 HydrophobicContact CE3-CB 3.78Å; W755-R769 HydrophobicContact CE3-CG 3.75Å; W755-R769 HydrophobicContact CG-CB 4.47Å; W755-R769 HydrophobicContact CH2-CG 3.62Å; W755-R769 VanDerWaalsContact CZ2-CD 3.42Å; W755-R769 HydrophobicContact CZ2-CG 3.78Å; W755-R769 VanDerWaalsContact CZ2-CZ 3.48Å; W755-R769 HydrophobicContact CZ3-CB 4.1Å; W755-R769 HydrophobicContact CZ3-CG 3.61Å; R769-I784 WeakPolarHBondContact O-CA 3.14Å; R769-E785 HydrophobicContact CG-CB 4.14Å; R769-E785 IonicContact CZ-OE2 3.01Å; R769-E785 PolarHBondContact N-O 3.14Å; R769-E785 IonicContact NE-OE2 2.79Å; R769-E785 PolarHBondContact NE-OE2 3.17Å; R769-E785 IonicContact NH2-OE1 3.08Å; R769-E785 IonicContact NH2-OE2 3.86Å; R769-E785 PolarHBondContact NH2-OE2 2.75Å; R769-E785 PolarHBondContact O-N 2.81Å
770	S	72.6	Confident	63.3	Low	55 Å²	55	77.2 Å²	77.2	39%	0.385	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152	-177.6	65.4	0	0	0	0	112.1	W752 S753 A783	W752-S770 VanDerWaalsContact CE3-C 3.49Å; S753-S770 WeakPolarHBondContact CB-O 3.34Å; S753-S770 PolarHBondContact N-O 2.96Å; S753-S770 PolarHBondContact OG-N 3.47Å; S753-S770 PolarHBondContact OG-O 2.82Å; S770-A783 WeakPolarHBondContact CA-O 3.48Å
771	R	69.6	Low	63.8	Low	53 Å²	53	76.6 Å²	76.6	20%	0.2	46%	0.461	C	S	.	.			trans	-139.7	153.2	175.4	57.8	-179.4	178.3	177.6	-0.5	110.4	W749 W752 K782 A783	W749-R771 HydrophobicContact CD2-CG 4.13Å; W749-R771 HydrophobicContact CE3-CB 4.4Å; W749-R771 HydrophobicContact CE3-CG 3.61Å; W749-R771 HydrophobicContact CZ3-CG 4.07Å; W752-R771 HydrophobicContact CD2-CB 4.07Å; W752-R771 HydrophobicContact CD2-CG 3.93Å; W752-R771 HydrophobicContact CE3-CB 3.87Å; W752-R771 HydrophobicContact CE3-CG 3.72Å; W752-R771 HydrophobicContact CG-CB 4.5Å; W752-R771 HydrophobicContact CH2-CG 3.91Å; W752-R771 HydrophobicContact CZ2-CG 4.1Å; W752-R771 HydrophobicContact CZ3-CB 4.3Å; W752-R771 HydrophobicContact CZ3-CG 3.71Å; R771-K782 PolarHBondContact NE-O 3.4Å; R771-K782 PolarHBondContact NH2-O 3.09Å; R771-A783 PolarHBondContact N-O 2.76Å
772	K	65.8	Low	63.6	Low	170 Å²	170	78.7 Å²	78.7	74%	0.739	46%	0.456	S	S	*	.			trans	-104.9	139.2	-179.8	-63.8	-179.2	-179	176.7	0	110.5	S750 P774	S750-K772 WeakPolarHBondContact CB-O 3.13Å; S750-K772 PolarHBondContact N-O 3.33Å; S750-K772 WeakPolarHBondContact OG-CA 3.48Å; S750-K772 PolarHBondContact OG-N 3.29Å; S750-K772 PolarHBondContact OG-O 3.36Å; K772-P774 WeakPolarHBondContact O-CD 3.45Å
773	C	62.7	Low	63.7	Low	45 Å²	45	79.5 Å²	79.5	30%	0.304	47%	0.465	S	S	.	.			trans	-84.2	119	165.8	-177.4	0	0	0	0	107.4	W749 G777 C779	W749-C773 HydrophobicContact CE3-CB 4.06Å; W749-C773 HydrophobicContact CH2-CB 4.35Å; W749-C773 HydrophobicContact CZ3-CB 3.8Å; C773-G777 PolarHBondContact SG-O 2.93Å; C773-C779 HydrophobicContact CB-CB 3.69Å; C773-C779 WeakPolarHBondContact CB-SG 3.32Å; C773-C779 WeakPolarHBondContact SG-CB 3.2Å; C773-C779 CovalentContact SG-SG 2.03Å; C773-C779 PolarHBondContact SG-SG 2.96Å
774	P	59	Low	63.9	Low	81 Å²	81	81.3 Å²	81.3	53%	0.526	46%	0.462	S	S	.	.			trans	-59.5	140.4	167.7	-17.7	31.3	0	0	0	109.7	K772	K772-P774 WeakPolarHBondContact O-CD 3.45Å
775	S	49.8	Very low	64.6	Low	115 Å²	115	83.2 Å²	83.2	80%	0.804	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-24.4	129.8	-171.9	-160.8	0	0	0	0	117.7	G777	S775-G777 VanDerWaalsContact C-N 3.32Å; S775-G777 PolarHBondContact O-N 2.7Å
776	E	41.4	Very low	64.5	Low	198 Å²	198	89.7 Å²	89.7	93%	0.925	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	18.5	162	-64.6	-90.8	142.4	0	0	117.9
777	G	43.3	Very low	65	Low	42 Å²	42	88.9 Å²	88.9	43%	0.433	49%	0.486	S	S	.	.			trans	-91.8	141.4	163.4	0	0	0	0	0	112.5	C773 S775 C779	C773-G777 PolarHBondContact SG-O 2.93Å; S775-G777 VanDerWaalsContact C-N 3.32Å; S775-G777 PolarHBondContact O-N 2.7Å; G777-C779 PolarHBondContact O-N 2.68Å
778	D	54.7	Low	64.8	Low	150 Å²	150	91.8 Å²	91.8	80%	0.802	50%	0.503	S	S	*	.			trans	-70.4	77.9	164.9	-174.1	15.5	0	0	0	109	S780	D778-S780 VanDerWaalsContact C-N 3.32Å; D778-S780 PolarHBondContact O-N 2.99Å
779	C	62.8	Low	64.8	Low	27 Å²	27	89.1 Å²	89.1	18%	0.182	49%	0.491	C	S	.	.			trans	-71.8	90.9	174.3	-67.7	0	0	0	0	108.2	W749 C773 G777 G781	W749-C779 HydrophobicContact CD2-CB 3.88Å; W749-C779 VanDerWaalsContact CE2-CB 3.46Å; W749-C779 HydrophobicContact CE3-CB 4.26Å; W749-C779 HydrophobicContact CG-CB 4.49Å; W749-C779 HydrophobicContact CH2-CB 3.88Å; W749-C779 HydrophobicContact CZ2-CB 3.46Å; W749-C779 VanDerWaalsContact CZ2-CB 3.46Å; W749-C779 WeakPolarHBondContact CZ2-O 3.49Å; W749-C779 HydrophobicContact CZ3-CB 4.27Å; C773-C779 HydrophobicContact CB-CB 3.69Å; C773-C779 WeakPolarHBondContact CB-SG 3.32Å; C773-C779 WeakPolarHBondContact SG-CB 3.2Å; C773-C779 CovalentContact SG-SG 2.03Å; C773-C779 PolarHBondContact SG-SG 2.96Å; G777-C779 PolarHBondContact O-N 2.68Å; C779-G781 PolarHBondContact O-N 3.48Å
780	S	56.7	Low	64.1	Low	97 Å²	97	87.6 Å²	87.6	68%	0.678	49%	0.491	S	S	*	.			trans	-66.4	130.4	174.3	-44.7	0	0	0	0	110.2	W749 D778	W749-S780 PolarHBondContact NE1-O 2.89Å; W749-S780 VanDerWaalsContact NE1-O 3.14Å; D778-S780 VanDerWaalsContact C-N 3.32Å; D778-S780 PolarHBondContact O-N 2.99Å
781	G	67.3	Low	63.6	Low	55 Å²	55	89.5 Å²	89.5	57%	0.567	50%	0.5	S	S	*	.	S	Bend	trans	126.5	170.2	-178.7	0	0	0	0	0	113	W749 C779	W749-G781 VanDerWaalsContact CZ2-O 3.25Å; W749-G781 WeakPolarHBondContact CZ2-O 3.33Å; C779-G781 PolarHBondContact O-N 3.48Å
782	K	64.8	Low	63.2	Low	156 Å²	156	93 Å²	93	68%	0.678	52%	0.523	S	S	*	.			trans	-75.9	133.8	-176.7	-56.6	-177.6	180	177.8	0	110.8	W752 R771 I784	W752-K782 WeakPolarHBondContact CH2-O 3.5Å; R771-K782 PolarHBondContact NE-O 3.4Å; R771-K782 PolarHBondContact NH2-O 3.09Å; K782-I784 VanDerWaalsContact C-N 3.27Å; K782-I784 VanDerWaalsContact CB-O 3.28Å; K782-I784 WeakPolarHBondContact CB-O 3.34Å
783	A	70.5	Confident	62.4	Low	46 Å²	46	93.9 Å²	93.9	38%	0.38	53%	0.527	S	S	.	.	S	Bend	trans	-75.7	-20.1	170.3	0	0	0	0	0	112.2	W749 S770 R771	W749-A783 HydrophobicContact CH2-CB 3.95Å; W749-A783 HydrophobicContact CZ3-CB 4.09Å; S770-A783 WeakPolarHBondContact CA-O 3.48Å; R771-A783 PolarHBondContact N-O 2.76Å
784	I	62.8	Low	61.5	Low	85 Å²	85	92.9 Å²	92.9	44%	0.436	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.3	-176.3	-60.4	177	0	0	0	108.3	L768 R769 K782 F786	L768-I784 HydrophobicContact CD1-CG2 3.3Å; L768-I784 HydrophobicContact CG-CG2 4.34Å; R769-I784 WeakPolarHBondContact O-CA 3.14Å; K782-I784 VanDerWaalsContact C-N 3.27Å; K782-I784 VanDerWaalsContact CB-O 3.28Å; K782-I784 WeakPolarHBondContact CB-O 3.34Å; I784-F786 HydrophobicContact CG2-CE2 3.96Å; I784-F786 HydrophobicContact CG2-CZ 4.09Å
785	E	76.9	Confident	61.2	Low	67 Å²	67	95.4 Å²	95.4	31%	0.313	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142	177.7	-168.4	176.5	-161.8	0	0	110.8	W752 W755 L768 R769	W752-E785 HydrophobicContact CH2-CB 3.67Å; W752-E785 HydrophobicContact CZ2-CB 4.3Å; W752-E785 HydrophobicContact CZ3-CB 4.01Å; W755-E785 HydrophobicContact CH2-CB 4.29Å; W755-E785 HydrophobicContact CH2-CG 4.07Å; W755-E785 WeakPolarHBondContact CZ3-O 3.32Å; L768-E785 WeakPolarHBondContact CA-O 3.38Å; R769-E785 HydrophobicContact CG-CB 4.14Å; R769-E785 IonicContact CZ-OE2 3.01Å; R769-E785 PolarHBondContact N-O 3.14Å; R769-E785 IonicContact NE-OE2 2.79Å; R769-E785 PolarHBondContact NE-OE2 3.17Å; R769-E785 IonicContact NH2-OE1 3.08Å; R769-E785 IonicContact NH2-OE2 3.86Å; R769-E785 PolarHBondContact NH2-OE2 2.75Å; R769-E785 PolarHBondContact O-N 2.81Å
786	F	69.3	Low	61.1	Low	136 Å²	136	96.8 Å²	96.8	60%	0.596	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.2	175.9	-58.6	-91.8	0	0	0	108.7	R767 L768 I784	R767-F786 WeakPolarHBondContact O-CA 3.22Å; L768-F786 HydrophobicContact CD1-CD1 3.84Å; L768-F786 HydrophobicContact CD1-CE1 3.41Å; L768-F786 VanDerWaalsContact CD1-CE1 3.41Å; L768-F786 HydrophobicContact CD1-CE2 4.45Å; L768-F786 HydrophobicContact CD1-CZ 3.75Å; I784-F786 HydrophobicContact CG2-CE2 3.96Å; I784-F786 HydrophobicContact CG2-CZ 4.09Å
787	E	78.6	Confident	61.7	Low	73 Å²	73	88.5 Å²	88.5	34%	0.341	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.5	174.7	-174.4	-177.3	-168.4	0	0	109.7	W755 L766 R767 C789	W755-E787 HydrophobicContact CH2-CB 3.53Å; W755-E787 HydrophobicContact CZ2-CB 4.07Å; W755-E787 WeakPolarHBondContact CZ2-OE2 3.24Å; W755-E787 HydrophobicContact CZ3-CB 3.86Å; L766-E787 WeakPolarHBondContact CA-O 3.47Å; R767-E787 HydrophobicContact CG-CB 4.05Å; R767-E787 IonicContact CZ-OE2 3.99Å; R767-E787 PolarHBondContact N-O 3.39Å; R767-E787 IonicContact NE-OE2 3.57Å; R767-E787 PolarHBondContact NE-OE2 2.88Å; R767-E787 IonicContact NH2-OE1 3.6Å; R767-E787 PolarHBondContact NH2-OE1 3.32Å; R767-E787 IonicContact NH2-OE2 2.72Å; R767-E787 PolarHBondContact NH2-OE2 3.03Å; R767-E787 PolarHBondContact O-N 3.25Å; E787-C789 PolarHBondContact O-N 3.23Å
788	Q	75.7	Confident	62.7	Low	142 Å²	142	89 Å²	89	66%	0.664	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.2	168.9	-91.8	173.5	-5.6	0	0	109.8	G765 L766 T791	G765-Q788 CarbonylContact O-C 3.6Å; G765-Q788 VanDerWaalsContact O-CA 3.29Å; G765-Q788 WeakPolarHBondContact O-CA 3.26Å; L766-Q788 HydrophobicContact CD2-CG 4.02Å; Q788-T791 HydrophobicContact CB-CG2 4.22Å
789	C	76.5	Confident	63.5	Low	16 Å²	16	82.6 Å²	82.6	11%	0.108	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	161.5	174.9	49.2	0	0	0	0	109.1	C758 G764 G765 L766 R767 E787 T791	C758-C789 VanDerWaalsContact CA-SG 3.53Å; C758-C789 HydrophobicContact CB-CB 4.01Å; C758-C789 WeakPolarHBondContact CB-SG 3.26Å; C758-C789 WeakPolarHBondContact SG-CB 3.36Å; C758-C789 CovalentContact SG-SG 2.02Å; C758-C789 PolarHBondContact SG-SG 2.93Å; G764-C789 CarbonylContact C-O 3.41Å; G764-C789 WeakPolarHBondContact CA-O 3.38Å; G765-C789 PolarHBondContact N-O 3.14Å; G765-C789 PolarHBondContact O-N 3.11Å; G765-C789 VanDerWaalsContact O-O 3.14Å; L766-C789 VanDerWaalsContact C-SG 3.56Å; R767-C789 HydrophobicContact CG-CB 4.28Å; E787-C789 PolarHBondContact O-N 3.23Å; C789-T791 PolarHBondContact O-N 3.38Å
790	A	66.2	Low	64.1	Low	30 Å²	30	85.9 Å²	85.9	25%	0.248	48%	0.48	C	S	.	.			trans	55.9	44.1	178.6	0	0	0	0	0	114.6	L760 C762 G763 G764 D792	L760-A790 WeakPolarHBondContact O-CB 3.37Å; C762-A790 CarbonylContact C-O 3.46Å; C762-A790 WeakPolarHBondContact CA-O 3.2Å; G763-A790 PolarHBondContact N-O 3.22Å; G764-A790 WeakPolarHBondContact CA-O 3.25Å; G764-A790 PolarHBondContact N-O 2.99Å; A790-D792 PolarHBondContact O-N 3.47Å
791	T	60.6	Low	65.1	Low	95 Å²	95	85.3 Å²	85.3	58%	0.583	46%	0.463	S	S	*	.			trans	-72.5	-0.6	-178.1	52.8	0	0	0	0	114.6	Q788 C789 K793	Q788-T791 HydrophobicContact CB-CG2 4.22Å; C789-T791 PolarHBondContact O-N 3.38Å; T791-K793 PolarHBondContact O-N 2.79Å
792	D	61	Low	65.8	Low	127 Å²	127	85.2 Å²	85.2	68%	0.679	45%	0.454	S	S	*	.	S	Bend	trans	-63.4	123.5	174.8	-64.5	-36.8	0	0	0	109	G763 A790 C794	G763-D792 PolarHBondContact N-O 2.79Å; A790-D792 PolarHBondContact O-N 3.47Å; D792-C794 PolarHBondContact O-N 3.4Å; D792-C794 VanDerWaalsContact O-N 3.15Å
793	K	49.2	Very low	66.8	Low	189 Å²	189	83.1 Å²	83.1	82%	0.822	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-57.9	119.1	-178.6	-162.4	178.3	-176.7	-174.9	0	109.3	T791	T791-K793 PolarHBondContact O-N 2.79Å
794	C	45.1	Very low	67.2	Low	24 Å²	24	84.7 Å²	84.7	16%	0.162	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-58.1	139.4	175.2	-62.5	0	0	0	0	109.6	C762 G763 D792	C762-C794 HydrophobicContact CB-CB 4.19Å; C762-C794 WeakPolarHBondContact CB-SG 3.37Å; C762-C794 PolarHBondContact O-SG 3.12Å; C762-C794 WeakPolarHBondContact SG-CB 3.49Å; C762-C794 CovalentContact SG-SG 2.06Å; C762-C794 PolarHBondContact SG-SG 3.42Å; G763-C794 VanDerWaalsContact CA-SG 3.6Å; G763-C794 PolarHBondContact N-SG 3.11Å; D792-C794 PolarHBondContact O-N 3.4Å; D792-C794 VanDerWaalsContact O-N 3.15Å
795	N	52.3	Low	68.1	Low	134 Å²	134	83.1 Å²	83.1	72%	0.717	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-84.9	120.2	-176.8	-138.8	1.4	0	0	0	109.6	A797	N795-A797 VanDerWaalsContact C-N 3.29Å; N795-A797 PolarHBondContact O-N 3.47Å
796	D	47.3	Very low	68.3	Low	144 Å²	144	86.9 Å²	86.9	77%	0.77	47%	0.474	S	S	*	.			trans	-76.4	62	-171.4	-74.5	-38.7	0	0	0	113.7	W798	D796-W798 PolarHBondContact O-N 3.26Å
797	A	54.4	Low	68.8	Low	24 Å²	24	81.8 Å²	81.8	20%	0.198	46%	0.455	C	S	.	.			trans	-93.5	23.3	-173.5	0	0	0	0	0	115.4	N795 G799 N823 L825	N795-A797 VanDerWaalsContact C-N 3.29Å; N795-A797 PolarHBondContact O-N 3.47Å; A797-G799 PolarHBondContact O-N 3Å; A797-N823 PolarHBondContact O-N 3.15Å; A797-L825 HydrophobicContact CB-CD1 4.14Å
798	W	63.4	Low	68.8	Low	52 Å²	52	81.1 Å²	81.1	20%	0.197	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-68.6	129.4	174.7	-75	110.4	0	0	0	111.6	D796 R820 C822 C830 E831 G832 A834	D796-W798 PolarHBondContact O-N 3.26Å; W798-R820 HydrophobicContact CD2-CG 4.27Å; W798-R820 HydrophobicContact CE3-CB 4.37Å; W798-R820 HydrophobicContact CE3-CG 3.58Å; W798-R820 HydrophobicContact CZ3-CG 3.92Å; W798-C822 HydrophobicContact CZ3-CB 4.42Å; W798-C830 HydrophobicContact CD2-CB 4Å; W798-C830 HydrophobicContact CE3-CB 4.29Å; W798-C830 HydrophobicContact CH2-CB 3.78Å; W798-C830 HydrophobicContact CZ2-CB 3.43Å; W798-C830 VanDerWaalsContact CZ2-CB 3.43Å; W798-C830 WeakPolarHBondContact CZ2-O 3.04Å; W798-C830 HydrophobicContact CZ3-CB 4.2Å; W798-E831 PolarHBondContact NE1-O 3.02Å; W798-G832 WeakPolarHBondContact CZ2-O 3.28Å; W798-A834 HydrophobicContact CH2-CB 3.87Å; W798-A834 HydrophobicContact CZ3-CB 3.96Å
799	G	71.9	Confident	68.1	Low	15 Å²	15	76.3 Å²	76.3	16%	0.155	44%	0.439	C	S	.	.			trans	-69.2	174.6	165.3	0	0	0	0	0	112.8	A797 E821 N823	A797-G799 PolarHBondContact O-N 3Å; G799-E821 WeakPolarHBondContact CA-O 3.11Å; G799-E821 PolarHBondContact N-O 3.15Å; G799-N823 WeakPolarHBondContact CA-ND2 3.49Å
800	A	76.2	Confident	67.8	Low	96 Å²	96	80 Å²	80	79%	0.793	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-64.7	147.3	176	0	0	0	0	0	111.3
801	W	76.7	Confident	67.7	Low	86 Å²	86	79.3 Å²	79.3	33%	0.326	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-64.1	139.9	171.2	-71.8	103.5	0	0	0	111.4	R818 R820 F833 E836	W801-R818 HydrophobicContact CD2-CG 4.36Å; W801-R818 HydrophobicContact CE3-CB 4.34Å; W801-R818 HydrophobicContact CE3-CG 3.67Å; W801-R818 HydrophobicContact CZ3-CG 4.02Å; W801-R820 HydrophobicContact CD2-CB 4.05Å; W801-R820 HydrophobicContact CD2-CG 3.95Å; W801-R820 VanDerWaalsContact CE2-CD 3.49Å; W801-R820 HydrophobicContact CE3-CB 3.91Å; W801-R820 HydrophobicContact CE3-CG 3.76Å; W801-R820 HydrophobicContact CG-CB 4.46Å; W801-R820 HydrophobicContact CH2-CG 3.92Å; W801-R820 HydrophobicContact CZ2-CG 4.09Å; W801-R820 HydrophobicContact CZ3-CB 4.35Å; W801-R820 HydrophobicContact CZ3-CG 3.75Å; W801-F833 VanDerWaalsContact CH2-O 3.31Å; W801-F833 WeakPolarHBondContact CH2-O 3.4Å; W801-E836 HydrophobicContact CH2-CB 3.94Å; W801-E836 HydrophobicContact CZ3-CB 4.05Å
802	S	82.2	Confident	67.2	Low	52 Å²	52	75.7 Å²	75.7	36%	0.364	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.6	160.2	165.2	79.1	0	0	0	0	110.5	S819	S802-S819 VanDerWaalsContact CB-O 3.31Å; S802-S819 WeakPolarHBondContact CB-O 3.29Å; S802-S819 PolarHBondContact N-O 3.38Å; S802-S819 PolarHBondContact OG-N 2.96Å; S802-S819 PolarHBondContact OG-O 3Å
803	S	85.9	Confident	66.8	Low	112 Å²	112	74.4 Å²	74.4	78%	0.783	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-57.7	148.6	163.1	-54.6	0	0	0	0	110.3
804	W	79.5	Confident	68.1	Low	80 Å²	80	65.8 Å²	65.8	30%	0.303	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-62.8	138.2	172.9	-72.4	104	0	0	0	111	K816 K817 R818 E836 M838	W804-K816 HydrophobicContact CB-CB 4.46Å; W804-K816 HydrophobicContact CE3-CB 3.87Å; W804-K816 VanDerWaalsContact CZ3-O 3.26Å; W804-K816 WeakPolarHBondContact CZ3-O 3.47Å; W804-K817 VanDerWaalsContact CE3-C 3.48Å; W804-R818 HydrophobicContact CD2-CB 3.94Å; W804-R818 HydrophobicContact CD2-CG 3.94Å; W804-R818 VanDerWaalsContact CE2-CD 3.47Å; W804-R818 HydrophobicContact CE3-CB 3.82Å; W804-R818 HydrophobicContact CE3-CG 3.82Å; W804-R818 HydrophobicContact CG-CB 4.43Å; W804-R818 HydrophobicContact CH2-CG 3.71Å; W804-R818 VanDerWaalsContact CZ2-CD 3.49Å; W804-R818 HydrophobicContact CZ2-CG 3.84Å; W804-R818 VanDerWaalsContact CZ2-CZ 3.43Å; W804-R818 HydrophobicContact CZ3-CB 4.17Å; W804-R818 HydrophobicContact CZ3-CG 3.69Å; W804-E836 HydrophobicContact CH2-CB 4.2Å; W804-E836 HydrophobicContact CH2-CG 4.03Å; W804-E836 WeakPolarHBondContact CZ3-O 3.45Å; W804-M838 HydrophobicContact CD2-CE 4.26Å; W804-M838 HydrophobicContact CE3-CB 4.37Å; W804-M838 HydrophobicContact CH2-CB 3.55Å; W804-M838 HydrophobicContact CZ2-CB 4.11Å; W804-M838 HydrophobicContact CZ2-CE 4.49Å; W804-M838 HydrophobicContact CZ2-SD 4.37Å; W804-M838 HydrophobicContact CZ3-CB 3.7Å
805	S	81.9	Confident	69.6	Low	51 Å²	51	70.7 Å²	70.7	36%	0.357	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-64	165	170.2	75.5	0	0	0	0	111.7	K816 K817	S805-K816 WeakPolarHBondContact O-CB 3.45Å; S805-K816 WeakPolarHBondContact O-CD 3.28Å; S805-K816 VanDerWaalsContact O-CG 3.26Å; S805-K816 WeakPolarHBondContact O-CG 3.32Å; S805-K817 WeakPolarHBondContact CB-O 3.48Å; S805-K817 PolarHBondContact N-O 3.36Å; S805-K817 PolarHBondContact OG-N 3.26Å; S805-K817 PolarHBondContact OG-O 2.91Å
806	D	81.2	Confident	71.1	Confident	146 Å²	146	67.6 Å²	67.6	78%	0.781	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-60.3	159.1	163.6	-67.6	-47.5	0	0	0	111.3	S808	D806-S808 PolarHBondContact O-N 3.39Å
807	C	78.6	Confident	72.5	Confident	29 Å²	29	64.3 Å²	64.3	20%	0.196	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-65.6	132.7	-179.3	-169.3	0	0	0	0	109.8	V809 K816 C840	C807-V809 PolarHBondContact O-N 2.9Å; C807-V809 VanDerWaalsContact O-N 3.09Å; C807-K816 HydrophobicContact CB-CG 4.34Å; C807-C840 WeakPolarHBondContact CA-SG 3.24Å; C807-C840 HydrophobicContact CB-CB 3.98Å; C807-C840 WeakPolarHBondContact CB-SG 3.25Å; C807-C840 WeakPolarHBondContact SG-CB 3.25Å; C807-C840 CovalentContact SG-SG 2.03Å; C807-C840 PolarHBondContact SG-SG 3.32Å
808	S	79.2	Confident	74	Confident	60 Å²	60	66.2 Å²	66.2	42%	0.42	37%	0.374	S	S	.	.	S	Bend	trans	-60.4	-21.4	-176.9	67.3	0	0	0	0	113.8	D806 G814 Y815	D806-S808 PolarHBondContact O-N 3.39Å; S808-G814 WeakPolarHBondContact OG-CA 3.49Å; S808-Y815 WeakPolarHBondContact CB-O 3.46Å; S808-Y815 PolarHBondContact N-O 3.02Å; S808-Y815 PolarHBondContact OG-N 2.88Å; S808-Y815 PolarHBondContact OG-O 3.19Å
809	V	61.8	Low	74.8	Confident	41 Å²	41	66.1 Å²	66.1	25%	0.248	38%	0.381	C	S	.	.			trans	-120.3	144.4	178.3	-54.5	0	0	0	0	110.9	C807 C811 G812 G814 N842	C807-V809 PolarHBondContact O-N 2.9Å; C807-V809 VanDerWaalsContact O-N 3.09Å; V809-C811 WeakPolarHBondContact CB-O 2.8Å; V809-C811 VanDerWaalsContact CG2-O 3.24Å; V809-C811 WeakPolarHBondContact CG2-O 3.09Å; V809-G812 VanDerWaalsContact CG2-O 3.26Å; V809-G812 WeakPolarHBondContact CG2-O 3.24Å; V809-G814 VanDerWaalsContact CG2-CA 3.48Å; V809-G814 VanDerWaalsContact CG2-N 3.29Å; V809-N842 HydrophobicContact CG2-CB 4.33Å; V809-N842 PolarHBondContact O-ND2 2.98Å
810	T	68.6	Low	75	Confident	92 Å²	92	67.9 Å²	67.9	56%	0.564	38%	0.383	S	S	*	.	S	Bend	trans	-85.7	-17.1	174.4	52.8	0	0	0	0	112.7	N842	T810-N842 VanDerWaalsContact C-ND2 3.3Å; T810-N842 VanDerWaalsContact CA-ND2 3.29Å; T810-N842 WeakPolarHBondContact CA-ND2 3.37Å; T810-N842 PolarHBondContact O-ND2 3.04Å; T810-N842 VanDerWaalsContact O-ND2 3.11Å; T810-N842 PolarHBondContact O-OD1 2.95Å
811	C	64.9	Low	74.9	Confident	17 Å²	17	70.7 Å²	70.7	12%	0.115	38%	0.38	C	S	.	.	S	Bend	trans	-143.1	145.7	171.9	77.9	0	0	0	0	111.2	V809 R843 C845	V809-C811 WeakPolarHBondContact CB-O 2.8Å; V809-C811 VanDerWaalsContact CG2-O 3.24Å; V809-C811 WeakPolarHBondContact CG2-O 3.09Å; C811-R843 CarbonylContact C-O 3.46Å; C811-R843 VanDerWaalsContact C-O 3.29Å; C811-R843 WeakPolarHBondContact CA-O 3.31Å; C811-R843 WeakPolarHBondContact CB-O 3.44Å; C811-C845 HydrophobicContact CB-CB 4.16Å; C811-C845 WeakPolarHBondContact CB-SG 3.23Å; C811-C845 WeakPolarHBondContact SG-CB 3.5Å; C811-C845 CovalentContact SG-SG 2.08Å; C811-C845 PolarHBondContact SG-SG 2.89Å
812	G	50.6	Low	74.5	Confident	18 Å²	18	67.6 Å²	67.6	19%	0.186	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-165	-179.9	0	0	0	0	0	114.8	V809 G814 N842 R843	V809-G812 VanDerWaalsContact CG2-O 3.26Å; V809-G812 WeakPolarHBondContact CG2-O 3.24Å; G812-G814 PolarHBondContact O-N 2.84Å; G812-N842 PolarHBondContact N-O 3.2Å; G812-N842 VanDerWaalsContact N-O 3.13Å; G812-N842 PolarHBondContact O-N 3.14Å; G812-R843 PolarHBondContact N-O 3.33Å
813	T	52.8	Low	73.9	Confident	101 Å²	101	70 Å²	70	62%	0.62	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.5	178.5	26	0	0	0	0	111.3	I839 C840 E841	T813-I839 HydrophobicContact CG2-CG2 4.4Å; T813-C840 CarbonylContact C-O 3.43Å; T813-E841 HydrophobicContact CG2-CG 3.72Å
814	G	76.3	Confident	72.8	Confident	8 Å²	8	68.5 Å²	68.5	8%	0.082	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-157.9	168.7	0	0	0	0	0	111.3	S808 V809 G812 I839 C840	S808-G814 WeakPolarHBondContact OG-CA 3.49Å; V809-G814 VanDerWaalsContact CG2-CA 3.48Å; V809-G814 VanDerWaalsContact CG2-N 3.29Å; G812-G814 PolarHBondContact O-N 2.84Å; G814-I839 CarbonylContact O-C 3.58Å; G814-I839 WeakPolarHBondContact O-CA 3.42Å; G814-C840 CarbonylContact C-O 3.48Å; G814-C840 PolarHBondContact N-O 2.79Å; G814-C840 PolarHBondContact O-N 2.88Å; G814-C840 VanDerWaalsContact O-O 3.09Å
815	Y	76.6	Confident	71.7	Confident	126 Å²	126	67.8 Å²	67.8	49%	0.494	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.1	177.7	55.1	-95.2	0	0	0	112.4	S808 L837 M838 C840	S808-Y815 WeakPolarHBondContact CB-O 3.46Å; S808-Y815 PolarHBondContact N-O 3.02Å; S808-Y815 PolarHBondContact OG-N 2.88Å; S808-Y815 PolarHBondContact OG-O 3.19Å; Y815-L837 HydrophobicContact CD2-CD2 3.1Å; Y815-L837 HydrophobicContact CE2-CD2 3.62Å; Y815-L837 HydrophobicContact CG-CD2 3.68Å; Y815-M838 CarbonylContact C-O 3.46Å; Y815-M838 WeakPolarHBondContact CA-O 3.31Å; Y815-M838 WeakPolarHBondContact CB-O 3.38Å; Y815-C840 WeakPolarHBondContact CA-SG 3.5Å; Y815-C840 PolarHBondContact N-SG 3.07Å
816	K	82.6	Confident	70.5	Confident	69 Å²	69	69.2 Å²	69.2	30%	0.3	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.6	167.1	-64.3	-175.7	176.1	-172	0	108.8	W804 S805 C807 L837 M838 C840	W804-K816 HydrophobicContact CB-CB 4.46Å; W804-K816 HydrophobicContact CE3-CB 3.87Å; W804-K816 VanDerWaalsContact CZ3-O 3.26Å; W804-K816 WeakPolarHBondContact CZ3-O 3.47Å; S805-K816 WeakPolarHBondContact O-CB 3.45Å; S805-K816 WeakPolarHBondContact O-CD 3.28Å; S805-K816 VanDerWaalsContact O-CG 3.26Å; S805-K816 WeakPolarHBondContact O-CG 3.32Å; C807-K816 HydrophobicContact CB-CG 4.34Å; K816-L837 WeakPolarHBondContact O-CA 3.35Å; K816-M838 HydrophobicContact CD-CE 4.33Å; K816-M838 PolarHBondContact N-O 3.2Å; K816-M838 PolarHBondContact O-N 2.97Å; K816-C840 HydrophobicContact CD-CB 4.43Å; K816-C840 HydrophobicContact CG-CB 4.04Å
817	K	78.1	Confident	69.3	Low	76 Å²	76	67 Å²	67	33%	0.33	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.5	-178.2	-171	179.7	-179.6	-175.9	0	110.7	W804 S805 E835 E836 L837	W804-K817 VanDerWaalsContact CE3-C 3.48Å; S805-K817 WeakPolarHBondContact CB-O 3.48Å; S805-K817 PolarHBondContact N-O 3.36Å; S805-K817 PolarHBondContact OG-N 3.26Å; S805-K817 PolarHBondContact OG-O 2.91Å; K817-E835 WeakPolarHBondContact CE-OE1 3.46Å; K817-E835 WeakPolarHBondContact CE-OE2 3.39Å; K817-E835 IonicContact NZ-OE1 3.73Å; K817-E835 PolarHBondContact NZ-OE1 3.07Å; K817-E835 IonicContact NZ-OE2 2.64Å; K817-E835 PolarHBondContact NZ-OE2 2.7Å; K817-E836 VanDerWaalsContact CA-O 3.3Å; K817-E836 WeakPolarHBondContact CA-O 3.33Å; K817-L837 HydrophobicContact CB-CD2 4.37Å
818	R	84.8	Confident	68.1	Low	63 Å²	63	70.7 Å²	70.7	24%	0.238	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.6	166.4	64.2	174.8	176.2	-166.7	-4.1	110.1	W801 W804 E835 E836	W801-R818 HydrophobicContact CD2-CG 4.36Å; W801-R818 HydrophobicContact CE3-CB 4.34Å; W801-R818 HydrophobicContact CE3-CG 3.67Å; W801-R818 HydrophobicContact CZ3-CG 4.02Å; W804-R818 HydrophobicContact CD2-CB 3.94Å; W804-R818 HydrophobicContact CD2-CG 3.94Å; W804-R818 VanDerWaalsContact CE2-CD 3.47Å; W804-R818 HydrophobicContact CE3-CB 3.82Å; W804-R818 HydrophobicContact CE3-CG 3.82Å; W804-R818 HydrophobicContact CG-CB 4.43Å; W804-R818 HydrophobicContact CH2-CG 3.71Å; W804-R818 VanDerWaalsContact CZ2-CD 3.49Å; W804-R818 HydrophobicContact CZ2-CG 3.84Å; W804-R818 VanDerWaalsContact CZ2-CZ 3.43Å; W804-R818 HydrophobicContact CZ3-CB 4.17Å; W804-R818 HydrophobicContact CZ3-CG 3.69Å; R818-E835 CarbonylContact O-C 3.53Å; R818-E835 VanDerWaalsContact O-CA 3.27Å; R818-E835 WeakPolarHBondContact O-CA 3.49Å; R818-E836 HydrophobicContact CG-CB 4.01Å; R818-E836 IonicContact CZ-OE2 3.19Å; R818-E836 PolarHBondContact N-O 3.08Å; R818-E836 IonicContact NE-OE2 3.16Å; R818-E836 PolarHBondContact NE-OE2 3.46Å; R818-E836 IonicContact NH2-OE1 2.65Å; R818-E836 IonicContact NH2-OE2 3.92Å; R818-E836 PolarHBondContact NH2-OE2 2.81Å; R818-E836 PolarHBondContact O-N 2.81Å
819	S	81.2	Confident	67	Low	51 Å²	51	73 Å²	73	36%	0.357	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.5	-179.9	58.4	0	0	0	0	112.7	S802 A834	S802-S819 VanDerWaalsContact CB-O 3.31Å; S802-S819 WeakPolarHBondContact CB-O 3.29Å; S802-S819 PolarHBondContact N-O 3.38Å; S802-S819 PolarHBondContact OG-N 2.96Å; S802-S819 PolarHBondContact OG-O 3Å; S819-A834 CarbonylContact C-O 3.51Å; S819-A834 WeakPolarHBondContact CA-O 3.45Å; S819-A834 WeakPolarHBondContact CB-O 3.42Å
820	R	75.2	Confident	66.8	Low	51 Å²	51	71.7 Å²	71.7	19%	0.192	41%	0.411	C	S	.	.			trans	-138	147.1	173.9	55.3	175.7	177.8	175.7	3.7	109.8	W798 W801 F833 A834	W798-R820 HydrophobicContact CD2-CG 4.27Å; W798-R820 HydrophobicContact CE3-CB 4.37Å; W798-R820 HydrophobicContact CE3-CG 3.58Å; W798-R820 HydrophobicContact CZ3-CG 3.92Å; W801-R820 HydrophobicContact CD2-CB 4.05Å; W801-R820 HydrophobicContact CD2-CG 3.95Å; W801-R820 VanDerWaalsContact CE2-CD 3.49Å; W801-R820 HydrophobicContact CE3-CB 3.91Å; W801-R820 HydrophobicContact CE3-CG 3.76Å; W801-R820 HydrophobicContact CG-CB 4.46Å; W801-R820 HydrophobicContact CH2-CG 3.92Å; W801-R820 HydrophobicContact CZ2-CG 4.09Å; W801-R820 HydrophobicContact CZ3-CB 4.35Å; W801-R820 HydrophobicContact CZ3-CG 3.75Å; R820-F833 PolarHBondContact NE-O 3.3Å; R820-F833 VanDerWaalsContact NE-O 3.14Å; R820-F833 PolarHBondContact NH2-O 2.91Å; R820-A834 PolarHBondContact N-O 3.1Å
821	E	73.5	Confident	66	Low	156 Å²	156	72.9 Å²	72.9	73%	0.729	41%	0.41	S	S	*	.			trans	-100.8	146.8	-178.1	-65.1	-176.9	-176.8	0	0	111.4	G799 N823	G799-E821 WeakPolarHBondContact CA-O 3.11Å; G799-E821 PolarHBondContact N-O 3.15Å; E821-N823 PolarHBondContact O-N 2.98Å
822	C	69.3	Low	65.8	Low	21 Å²	21	73.9 Å²	73.9	14%	0.142	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-82.3	109.7	174.9	-176	0	0	0	0	108	W798 G824 L825 C830	W798-C822 HydrophobicContact CZ3-CB 4.42Å; C822-G824 PolarHBondContact O-N 3.1Å; C822-G824 VanDerWaalsContact O-N 3.16Å; C822-L825 PolarHBondContact SG-O 3.24Å; C822-C830 HydrophobicContact CB-CB 3.73Å; C822-C830 WeakPolarHBondContact CB-SG 3.24Å; C822-C830 WeakPolarHBondContact SG-CB 3.46Å; C822-C830 CovalentContact SG-SG 2.03Å; C822-C830 PolarHBondContact SG-SG 3.1Å
823	N	69.8	Low	66.4	Low	101 Å²	101	81.1 Å²	81.1	54%	0.54	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	110.9	-172.8	-74.3	-22.7	0	0	0	110.8	A797 G799 E821 L825	A797-N823 PolarHBondContact O-N 3.15Å; G799-N823 WeakPolarHBondContact CA-ND2 3.49Å; E821-N823 PolarHBondContact O-N 2.98Å; N823-L825 VanDerWaalsContact C-N 3.32Å; N823-L825 PolarHBondContact O-N 3.46Å
824	G	62.9	Low	67.5	Low	82 Å²	82	78.4 Å²	78.4	85%	0.845	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	7.7	168	0	0	0	0	0	116.1	C822	C822-G824 PolarHBondContact O-N 3.1Å; C822-G824 VanDerWaalsContact O-N 3.16Å
825	L	55.9	Low	67.4	Low	64 Å²	64	82.9 Å²	82.9	34%	0.335	46%	0.457	S	S	.	.	S	Bend	trans	-132.7	150.4	177.9	-71.4	166.7	0	0	0	111.1	A797 C822 N823 S827	A797-L825 HydrophobicContact CB-CD1 4.14Å; C822-L825 PolarHBondContact SG-O 3.24Å; N823-L825 VanDerWaalsContact C-N 3.32Å; N823-L825 PolarHBondContact O-N 3.46Å; L825-S827 PolarHBondContact O-N 2.81Å
826	P	57.2	Low	67.1	Low	81 Å²	81	80.6 Å²	80.6	53%	0.526	45%	0.451	S	S	.	.			trans	-57.3	137.4	173	-19.1	30.1	0	0	0	110.7	S828 Q829	P826-S828 PolarHBondContact O-N 3.41Å; P826-Q829 PolarHBondContact O-N 3.29Å
827	S	55.1	Low	66.7	Low	101 Å²	101	82.6 Å²	82.6	71%	0.706	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-54	-21.3	-173.5	-35.7	0	0	0	0	114.6	L825 Q829	L825-S827 PolarHBondContact O-N 2.81Å; S827-Q829 PolarHBondContact O-N 2.83Å
828	S	53.8	Low	66.2	Low	105 Å²	105	83.1 Å²	83.1	73%	0.734	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-70.2	-7.5	176	62.3	0	0	0	0	114.7	P826	P826-S828 PolarHBondContact O-N 3.41Å
829	Q	55.7	Low	65	Low	109 Å²	109	86.6 Å²	86.6	51%	0.509	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-108.7	-6.1	-178.9	-67	-171.8	-2.8	0	0	114.3	P826 S827	P826-Q829 PolarHBondContact O-N 3.29Å; S827-Q829 PolarHBondContact O-N 2.83Å
830	C	57.6	Low	64.5	Low	13 Å²	13	84.9 Å²	84.9	9%	0.088	48%	0.479	C	S	.	.	S	Bend	trans	-98	119	173.7	-80.2	0	0	0	0	109.4	W798 C822	W798-C830 HydrophobicContact CD2-CB 4Å; W798-C830 HydrophobicContact CE3-CB 4.29Å; W798-C830 HydrophobicContact CH2-CB 3.78Å; W798-C830 HydrophobicContact CZ2-CB 3.43Å; W798-C830 VanDerWaalsContact CZ2-CB 3.43Å; W798-C830 WeakPolarHBondContact CZ2-O 3.04Å; W798-C830 HydrophobicContact CZ3-CB 4.2Å; C822-C830 HydrophobicContact CB-CB 3.73Å; C822-C830 WeakPolarHBondContact CB-SG 3.24Å; C822-C830 WeakPolarHBondContact SG-CB 3.46Å; C822-C830 CovalentContact SG-SG 2.03Å; C822-C830 PolarHBondContact SG-SG 3.1Å
831	E	53.1	Low	63.5	Low	117 Å²	117	89.9 Å²	89.9	55%	0.547	50%	0.504	S	S	.	.			trans	-94.6	133.8	-179.7	-160.3	-178.5	-159.5	0	0	112	L760 W798	L760-E831 WeakPolarHBondContact CD2-OE1 3.33Å; W798-E831 PolarHBondContact NE1-O 3.02Å
832	G	59.1	Low	62.9	Low	39 Å²	39	85.1 Å²	85.1	40%	0.402	48%	0.484	S	S	.	.	S	Bend	trans	120.4	159.7	-167.4	0	0	0	0	0	110.1	W798 A834	W798-G832 WeakPolarHBondContact CZ2-O 3.28Å; G832-A834 PolarHBondContact O-N 3.33Å
833	F	63.6	Low	61.9	Low	169 Å²	169	93.5 Å²	93.5	74%	0.741	51%	0.513	S	S	*	.			trans	-72.2	131.1	179.6	-52.7	-76	0	0	0	109.4	W801 R820 E835	W801-F833 VanDerWaalsContact CH2-O 3.31Å; W801-F833 WeakPolarHBondContact CH2-O 3.4Å; R820-F833 PolarHBondContact NE-O 3.3Å; R820-F833 VanDerWaalsContact NE-O 3.14Å; R820-F833 PolarHBondContact NH2-O 2.91Å; F833-E835 WeakPolarHBondContact CB-O 3.49Å; F833-E835 PolarHBondContact O-N 3.4Å
834	A	75.1	Confident	60.7	Low	45 Å²	45	94.2 Å²	94.2	37%	0.372	52%	0.521	S	S	.	.	S	Bend	trans	-67.7	-15.7	167.8	0	0	0	0	0	111.1	W798 S819 R820 G832	W798-A834 HydrophobicContact CH2-CB 3.87Å; W798-A834 HydrophobicContact CZ3-CB 3.96Å; S819-A834 CarbonylContact C-O 3.51Å; S819-A834 WeakPolarHBondContact CA-O 3.45Å; S819-A834 WeakPolarHBondContact CB-O 3.42Å; R820-A834 PolarHBondContact N-O 3.1Å; G832-A834 PolarHBondContact O-N 3.33Å
835	E	74.2	Confident	59.8	Low	102 Å²	102	91.8 Å²	91.8	48%	0.477	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.2	-174.9	-53.2	-171.3	134.1	0	0	110.7	K817 R818 F833	K817-E835 WeakPolarHBondContact CE-OE1 3.46Å; K817-E835 WeakPolarHBondContact CE-OE2 3.39Å; K817-E835 IonicContact NZ-OE1 3.73Å; K817-E835 PolarHBondContact NZ-OE1 3.07Å; K817-E835 IonicContact NZ-OE2 2.64Å; K817-E835 PolarHBondContact NZ-OE2 2.7Å; R818-E835 CarbonylContact O-C 3.53Å; R818-E835 VanDerWaalsContact O-CA 3.27Å; R818-E835 WeakPolarHBondContact O-CA 3.49Å; F833-E835 WeakPolarHBondContact CB-O 3.49Å; F833-E835 PolarHBondContact O-N 3.4Å
836	E	70.7	Confident	59.7	Low	77 Å²	77	96 Å²	96	36%	0.36	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.5	178.1	-167.4	-179.8	178	0	0	110.3	W801 W804 K817 R818	W801-E836 HydrophobicContact CH2-CB 3.94Å; W801-E836 HydrophobicContact CZ3-CB 4.05Å; W804-E836 HydrophobicContact CH2-CB 4.2Å; W804-E836 HydrophobicContact CH2-CG 4.03Å; W804-E836 WeakPolarHBondContact CZ3-O 3.45Å; K817-E836 VanDerWaalsContact CA-O 3.3Å; K817-E836 WeakPolarHBondContact CA-O 3.33Å; R818-E836 HydrophobicContact CG-CB 4.01Å; R818-E836 IonicContact CZ-OE2 3.19Å; R818-E836 PolarHBondContact N-O 3.08Å; R818-E836 IonicContact NE-OE2 3.16Å; R818-E836 PolarHBondContact NE-OE2 3.46Å; R818-E836 IonicContact NH2-OE1 2.65Å; R818-E836 IonicContact NH2-OE2 3.92Å; R818-E836 PolarHBondContact NH2-OE2 2.81Å; R818-E836 PolarHBondContact O-N 2.81Å
837	L	74.9	Confident	59.7	Low	112 Å²	112	97.2 Å²	97.2	59%	0.586	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	-177.6	-77.9	150.5	0	0	0	109.7	Y815 K816 K817	Y815-L837 HydrophobicContact CD2-CD2 3.1Å; Y815-L837 HydrophobicContact CE2-CD2 3.62Å; Y815-L837 HydrophobicContact CG-CD2 3.68Å; K816-L837 WeakPolarHBondContact O-CA 3.35Å; K817-L837 HydrophobicContact CB-CD2 4.37Å
838	M	67.9	Low	59.4	Low	86 Å²	86	98.4 Å²	98.4	42%	0.424	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.8	175.2	179.8	177	66	0	0	109.2	W804 Y815 K816 C840	W804-M838 HydrophobicContact CD2-CE 4.26Å; W804-M838 HydrophobicContact CE3-CB 4.37Å; W804-M838 HydrophobicContact CH2-CB 3.55Å; W804-M838 HydrophobicContact CZ2-CB 4.11Å; W804-M838 HydrophobicContact CZ2-CE 4.49Å; W804-M838 HydrophobicContact CZ2-SD 4.37Å; W804-M838 HydrophobicContact CZ3-CB 3.7Å; Y815-M838 CarbonylContact C-O 3.46Å; Y815-M838 WeakPolarHBondContact CA-O 3.31Å; Y815-M838 WeakPolarHBondContact CB-O 3.38Å; K816-M838 HydrophobicContact CD-CE 4.33Å; K816-M838 PolarHBondContact N-O 3.2Å; K816-M838 PolarHBondContact O-N 2.97Å; M838-C840 PolarHBondContact O-N 3.34Å
839	I	58.6	Low	59.6	Low	136 Å²	136	97.8 Å²	97.8	70%	0.697	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.3	176.6	-59.6	170.6	0	0	0	108.8	T813 G814	T813-I839 HydrophobicContact CG2-CG2 4.4Å; G814-I839 CarbonylContact O-C 3.58Å; G814-I839 WeakPolarHBondContact O-CA 3.42Å
840	C	72.1	Confident	59.9	Low	15 Å²	15	94.9 Å²	94.9	10%	0.101	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.7	172.7	52.3	0	0	0	0	109.6	C807 T813 G814 Y815 K816 M838	C807-C840 WeakPolarHBondContact CA-SG 3.24Å; C807-C840 HydrophobicContact CB-CB 3.98Å; C807-C840 WeakPolarHBondContact CB-SG 3.25Å; C807-C840 WeakPolarHBondContact SG-CB 3.25Å; C807-C840 CovalentContact SG-SG 2.03Å; C807-C840 PolarHBondContact SG-SG 3.32Å; T813-C840 CarbonylContact C-O 3.43Å; G814-C840 CarbonylContact C-O 3.48Å; G814-C840 PolarHBondContact N-O 2.79Å; G814-C840 PolarHBondContact O-N 2.88Å; G814-C840 VanDerWaalsContact O-O 3.09Å; Y815-C840 WeakPolarHBondContact CA-SG 3.5Å; Y815-C840 PolarHBondContact N-SG 3.07Å; K816-C840 HydrophobicContact CD-CB 4.43Å; K816-C840 HydrophobicContact CG-CB 4.04Å; M838-C840 PolarHBondContact O-N 3.34Å
841	E	53.5	Low	60.2	Low	156 Å²	156	102.5 Å²	102.5	73%	0.729	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.4	172.1	-60.4	-168.8	170.2	0	0	108.2	T813	T813-E841 HydrophobicContact CG2-CG 3.72Å
842	N	60.9	Low	60.9	Low	57 Å²	57	100.9 Å²	100.9	31%	0.305	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	168.6	169.1	-152.2	-17.3	0	0	0	109.5	V809 T810 G812 T844	V809-N842 HydrophobicContact CG2-CB 4.33Å; V809-N842 PolarHBondContact O-ND2 2.98Å; T810-N842 VanDerWaalsContact C-ND2 3.3Å; T810-N842 VanDerWaalsContact CA-ND2 3.29Å; T810-N842 WeakPolarHBondContact CA-ND2 3.37Å; T810-N842 PolarHBondContact O-ND2 3.04Å; T810-N842 VanDerWaalsContact O-ND2 3.11Å; T810-N842 PolarHBondContact O-OD1 2.95Å; G812-N842 PolarHBondContact N-O 3.2Å; G812-N842 VanDerWaalsContact N-O 3.13Å; G812-N842 PolarHBondContact O-N 3.14Å; N842-T844 PolarHBondContact O-N 3.41Å
843	R	48.9	Very low	61.5	Low	197 Å²	197	101.3 Å²	101.3	74%	0.743	50%	0.499	S	S	*	.			trans	-44	134.5	-174.7	-72.9	-172.1	-84.5	-134.1	-1.8	112.4	C811 G812 C845	C811-R843 CarbonylContact C-O 3.46Å; C811-R843 VanDerWaalsContact C-O 3.29Å; C811-R843 WeakPolarHBondContact CA-O 3.31Å; C811-R843 WeakPolarHBondContact CB-O 3.44Å; G812-R843 PolarHBondContact N-O 3.33Å; R843-C845 PolarHBondContact O-N 3.42Å
844	T	43.4	Very low	62	Low	116 Å²	116	98.6 Å²	98.6	71%	0.712	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-61.8	132.2	178.6	22.7	0	0	0	0	111.3	N842 Q846	N842-T844 PolarHBondContact O-N 3.41Å; T844-Q846 PolarHBondContact O-N 3.35Å
845	C	45.3	Very low	61.6	Low	31 Å²	31	98.3 Å²	98.3	21%	0.209	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-63.6	127.5	179.1	-46.6	0	0	0	0	109.1	C811 R843 Q847 V870	C811-C845 HydrophobicContact CB-CB 4.16Å; C811-C845 WeakPolarHBondContact CB-SG 3.23Å; C811-C845 WeakPolarHBondContact SG-CB 3.5Å; C811-C845 CovalentContact SG-SG 2.08Å; C811-C845 PolarHBondContact SG-SG 2.89Å; R843-C845 PolarHBondContact O-N 3.42Å; C845-Q847 VanDerWaalsContact O-CG 3.29Å; C845-Q847 WeakPolarHBondContact O-CG 3.37Å; C845-Q847 PolarHBondContact O-N 3.3Å; C845-V870 HydrophobicContact CB-CG1 4.35Å
846	Q	53	Low	61.6	Low	151 Å²	151	98.9 Å²	98.9	71%	0.706	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-67.9	125.3	-170.7	-117.6	175.9	-10	0	0	110.9	T844 L871	T844-Q846 PolarHBondContact O-N 3.35Å; Q846-L871 PolarHBondContact O-N 3.33Å
847	Q	58.1	Low	61.1	Low	108 Å²	108	96.1 Å²	96.1	51%	0.505	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	-176.7	-47.8	-169.4	11.9	0	0	109	C845 V870	C845-Q847 VanDerWaalsContact O-CG 3.29Å; C845-Q847 WeakPolarHBondContact O-CG 3.37Å; C845-Q847 PolarHBondContact O-N 3.3Å; Q847-V870 HydrophobicContact CG-CG1 4.47Å; Q847-V870 HydrophobicContact CG-CG2 4.21Å
848	L	47.9	Very low	60.7	Low	126 Å²	126	98 Å²	98	66%	0.66	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	171.1	-96.6	93.5	0	0	0	110.7	R868 R869	L848-R868 WeakPolarHBondContact O-CA 3.46Å; L848-R869 PolarHBondContact N-O 2.83Å; L848-R869 VanDerWaalsContact N-O 3.14Å; L848-R869 PolarHBondContact O-N 2.96Å
849	W	57.6	Low	60.4	Low	91 Å²	91	94.6 Å²	94.6	35%	0.345	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142	167.5	-70.2	93.7	0	0	0	109.7	R866 R868 E886	W849-R866 HydrophobicContact CE3-CG 3.76Å; W849-R866 HydrophobicContact CZ3-CG 4.04Å; W849-R868 HydrophobicContact CD2-CB 3.61Å; W849-R868 HydrophobicContact CD2-CG 3.84Å; W849-R868 VanDerWaalsContact CE2-CD 3.4Å; W849-R868 HydrophobicContact CE3-CB 3.54Å; W849-R868 HydrophobicContact CE3-CG 4.3Å; W849-R868 HydrophobicContact CG-CB 4.3Å; W849-R868 HydrophobicContact CG-CG 4.16Å; W849-R868 HydrophobicContact CH2-CB 3.91Å; W849-R868 HydrophobicContact CZ2-CB 4Å; W849-R868 HydrophobicContact CZ2-CG 4.18Å; W849-R868 HydrophobicContact CZ3-CB 3.68Å; W849-E886 HydrophobicContact CH2-CB 4Å; W849-E886 HydrophobicContact CZ3-CB 3.76Å
850	S	61.6	Low	60.2	Low	49 Å²	49	88.2 Å²	88.2	34%	0.343	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-70.6	160.1	163.7	72.8	0	0	0	0	110.4	R866 T867	S850-R866 WeakPolarHBondContact O-CB 3.29Å; S850-T867 PolarHBondContact N-O 2.95Å; S850-T867 PolarHBondContact OG-N 2.94Å; S850-T867 PolarHBondContact OG-O 3.04Å; S850-T867 PolarHBondContact OG-OG1 3.05Å
851	E	65.4	Low	59.6	Low	173 Å²	173	90.6 Å²	90.6	81%	0.808	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-56.8	152.8	166.2	-66.9	-61.6	136.3	0	0	110.9
852	W	66.4	Low	60.2	Low	82 Å²	82	83.5 Å²	83.5	31%	0.311	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-66.4	133.9	170.7	-73.5	103.7	0	0	0	110.1	G864 R866 E886 E888	W852-G864 VanDerWaalsContact CZ3-O 3.22Å; W852-G864 WeakPolarHBondContact CZ3-O 3.47Å; W852-R866 HydrophobicContact CD2-CB 4.01Å; W852-R866 HydrophobicContact CD2-CG 3.8Å; W852-R866 HydrophobicContact CE3-CB 3.98Å; W852-R866 HydrophobicContact CE3-CG 3.81Å; W852-R866 HydrophobicContact CG-CB 4.38Å; W852-R866 HydrophobicContact CH2-CG 3.88Å; W852-R866 HydrophobicContact CZ2-CG 3.87Å; W852-R866 VanDerWaalsContact CZ2-CZ 3.5Å; W852-R866 VanDerWaalsContact CZ2-NE 3.25Å; W852-R866 HydrophobicContact CZ3-CB 4.41Å; W852-R866 HydrophobicContact CZ3-CG 3.84Å; W852-E886 HydrophobicContact CH2-CB 4.29Å; W852-E886 HydrophobicContact CH2-CG 4Å; W852-E888 HydrophobicContact CH2-CB 3.58Å; W852-E888 HydrophobicContact CZ2-CB 4.21Å; W852-E888 HydrophobicContact CZ3-CB 3.81Å
853	S	73	Confident	60.6	Low	49 Å²	49	84.2 Å²	84.2	34%	0.343	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-59.8	147	169	68.5	0	0	0	0	110.2	S865	S853-S865 PolarHBondContact N-O 2.86Å; S853-S865 PolarHBondContact OG-N 2.9Å; S853-S865 PolarHBondContact OG-O 2Å; S853-S865 PolarHBondContact OG-OG 3Å
854	S	73.4	Confident	61.9	Low	111 Å²	111	75.2 Å²	75.2	78%	0.776	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-48.1	144.9	165	-46.5	0	0	0	0	110.2	N856	S854-N856 PolarHBondContact O-N 3.44Å
855	C	67.8	Low	63.1	Low	40 Å²	40	72 Å²	72	27%	0.27	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-53.7	118.5	176.8	-166.8	0	0	0	0	109	A857 C890	C855-A857 PolarHBondContact O-N 2.92Å; C855-C890 WeakPolarHBondContact CA-SG 3.47Å; C855-C890 HydrophobicContact CB-CB 3.88Å; C855-C890 WeakPolarHBondContact CB-SG 3Å; C855-C890 WeakPolarHBondContact SG-CB 3.26Å; C855-C890 CovalentContact SG-SG 2.03Å; C855-C890 PolarHBondContact SG-SG 3.07Å
856	N	73.4	Confident	64.3	Low	113 Å²	113	73.6 Å²	73.6	60%	0.604	40%	0.401	S	S	*	.	S	Bend	trans	-68.1	-16	-173.3	68.7	-5.5	0	0	0	113.1	S854 G862 I863	S854-N856 PolarHBondContact O-N 3.44Å; N856-G862 WeakPolarHBondContact OD1-CA 3.48Å; N856-I863 PolarHBondContact N-O 2.04Å; N856-I863 PolarHBondContact OD1-N 3.05Å; N856-I863 PolarHBondContact OD1-O 3.14Å
857	A	60.6	Low	64.9	Low	20 Å²	20	69.7 Å²	69.7	17%	0.165	39%	0.388	C	S	.	.			trans	-100.5	126.2	177.6	0	0	0	0	0	111.2	C855 C859 G862	C855-A857 PolarHBondContact O-N 2.92Å; A857-C859 VanDerWaalsContact C-N 3.31Å; A857-G862 VanDerWaalsContact CB-CA 3.48Å
858	Q	65.3	Low	65	Low	150 Å²	150	66.3 Å²	66.3	70%	0.701	37%	0.37	S	S	*	.	S	Bend	trans	-77.5	-16	173.5	-75	173.4	-32.2	0	0	113.1
859	C	61.7	Low	65.6	Low	16 Å²	16	67.6 Å²	67.6	11%	0.108	37%	0.366	C	S	.	.	S	Bend	trans	-147.4	145.6	172.7	90.7	0	0	0	0	110.5	A857 N892 N933	A857-C859 VanDerWaalsContact C-N 3.31Å; C859-N892 CarbonylContact C-O 3.4Å; C859-N892 VanDerWaalsContact CA-O 3.26Å; C859-N892 WeakPolarHBondContact CA-O 3.41Å; C859-N933 HydrophobicContact CB-CB 4.5Å; C859-N933 WeakPolarHBondContact SG-CB 3.37Å; C859-N933 VanDerWaalsContact SG-CG 3.54Å; C859-N933 PolarHBondContact SG-ND2 2.65Å; C859-N933 VanDerWaalsContact SG-ND2 3.38Å
860	G	55.1	Low	65.6	Low	2 Å²	2	64.4 Å²	64.4	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.9	-166.5	-177.2	0	0	0	0	0	114.6	G862 N892	G860-G862 PolarHBondContact O-N 2.78Å; G860-N892 PolarHBondContact N-O 2.77Å; G860-N892 PolarHBondContact O-N 2.85Å
861	G	58.9	Low	65	Low	64 Å²	64	67 Å²	67	66%	0.66	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	117	176.1	0	0	0	0	0	111.8	C890	G861-C890 CarbonylContact C-O 3.53Å; G861-C890 WeakPolarHBondContact CA-O 3.48Å
862	G	66.9	Low	64.5	Low	7 Å²	7	60.4 Å²	60.4	7%	0.072	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-172.4	170.1	0	0	0	0	0	112.4	N856 A857 G860 S889 C890	N856-G862 WeakPolarHBondContact OD1-CA 3.48Å; A857-G862 VanDerWaalsContact CB-CA 3.48Å; G860-G862 PolarHBondContact O-N 2.78Å; G862-S889 CarbonylContact O-C 3.59Å; G862-S889 WeakPolarHBondContact O-CA 3.36Å; G862-C890 PolarHBondContact N-O 3.04Å; G862-C890 PolarHBondContact O-N 3Å; G862-C890 PolarHBondContact O-SG 3.43Å; G862-C890 VanDerWaalsContact O-SG 3.38Å
863	I	69	Low	63.7	Low	73 Å²	73	60.3 Å²	60.3	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.7	179.7	-72	165.7	0	0	0	109.2	N856 V887 E888 C890	N856-I863 PolarHBondContact N-O 2.04Å; N856-I863 PolarHBondContact OD1-N 3.05Å; N856-I863 PolarHBondContact OD1-O 3.14Å; I863-V887 HydrophobicContact CB-CG1 4.37Å; I863-V887 HydrophobicContact CD1-CG1 4.22Å; I863-V887 HydrophobicContact CG1-CG1 4.14Å; I863-V887 HydrophobicContact CG2-CB 4.21Å; I863-V887 HydrophobicContact CG2-CG1 3.39Å; I863-V887 HydrophobicContact CG2-CG2 4.14Å; I863-E888 WeakPolarHBondContact CA-O 3.37Å; I863-C890 PolarHBondContact N-SG 2.74Å
864	G	76.3	Confident	62.4	Low	7 Å²	7	64 Å²	64	7%	0.072	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.6	157.9	0	0	0	0	0	108.9	W852 V887 E888	W852-G864 VanDerWaalsContact CZ3-O 3.22Å; W852-G864 WeakPolarHBondContact CZ3-O 3.47Å; G864-V887 WeakPolarHBondContact O-CA 3.48Å; G864-E888 PolarHBondContact N-O 3.37Å; G864-E888 PolarHBondContact O-N 3.33Å
865	S	69.5	Low	61	Low	48 Å²	48	62.4 Å²	62.4	34%	0.336	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.8	175	62.4	0	0	0	0	110.9	S853 E886	S853-S865 PolarHBondContact N-O 2.86Å; S853-S865 PolarHBondContact OG-N 2.9Å; S853-S865 PolarHBondContact OG-O 2Å; S853-S865 PolarHBondContact OG-OG 3Å; S865-E886 VanDerWaalsContact CA-O 3.31Å; S865-E886 WeakPolarHBondContact CA-O 3.18Å
866	R	70.1	Confident	60.1	Low	66 Å²	66	63.3 Å²	63.3	25%	0.249	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.9	170.2	63.7	173.3	-179.9	-166.4	-2.1	110.6	W849 S850 W852 T885 E886	W849-R866 HydrophobicContact CE3-CG 3.76Å; W849-R866 HydrophobicContact CZ3-CG 4.04Å; S850-R866 WeakPolarHBondContact O-CB 3.29Å; W852-R866 HydrophobicContact CD2-CB 4.01Å; W852-R866 HydrophobicContact CD2-CG 3.8Å; W852-R866 HydrophobicContact CE3-CB 3.98Å; W852-R866 HydrophobicContact CE3-CG 3.81Å; W852-R866 HydrophobicContact CG-CB 4.38Å; W852-R866 HydrophobicContact CH2-CG 3.88Å; W852-R866 HydrophobicContact CZ2-CG 3.87Å; W852-R866 VanDerWaalsContact CZ2-CZ 3.5Å; W852-R866 VanDerWaalsContact CZ2-NE 3.25Å; W852-R866 HydrophobicContact CZ3-CB 4.41Å; W852-R866 HydrophobicContact CZ3-CG 3.84Å; R866-T885 WeakPolarHBondContact O-CA 3.12Å; R866-E886 HydrophobicContact CG-CB 4.22Å; R866-E886 IonicContact CZ-OE2 3.15Å; R866-E886 VanDerWaalsContact CZ-OE2 3.24Å; R866-E886 PolarHBondContact N-O 3.45Å; R866-E886 IonicContact NE-OE2 3.15Å; R866-E886 PolarHBondContact NE-OE2 3.22Å; R866-E886 IonicContact NH2-OE2 2.67Å; R866-E886 PolarHBondContact NH2-OE2 3.38Å; R866-E886 PolarHBondContact O-N 2.93Å
867	T	64.2	Low	59	Low	68 Å²	68	66.6 Å²	66.6	42%	0.417	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.8	-178.2	32.4	0	0	0	0	110.6	S850 E884 T885	S850-T867 PolarHBondContact N-O 2.95Å; S850-T867 PolarHBondContact OG-N 2.94Å; S850-T867 PolarHBondContact OG-O 3.04Å; S850-T867 PolarHBondContact OG-OG1 3.05Å; T867-E884 CarbonylContact C-O 3.54Å; T867-E884 WeakPolarHBondContact CA-O 3.4Å; T867-T885 HydrophobicContact CG2-CG2 3.67Å
868	R	61.3	Low	58.4	Low	37 Å²	37	73.4 Å²	73.4	14%	0.14	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.7	171.2	-164.3	174.5	77.7	-134.4	8.4	109.7	L848 W849 N883 E884	L848-R868 WeakPolarHBondContact O-CA 3.46Å; W849-R868 HydrophobicContact CD2-CB 3.61Å; W849-R868 HydrophobicContact CD2-CG 3.84Å; W849-R868 VanDerWaalsContact CE2-CD 3.4Å; W849-R868 HydrophobicContact CE3-CB 3.54Å; W849-R868 HydrophobicContact CE3-CG 4.3Å; W849-R868 HydrophobicContact CG-CB 4.3Å; W849-R868 HydrophobicContact CG-CG 4.16Å; W849-R868 HydrophobicContact CH2-CB 3.91Å; W849-R868 HydrophobicContact CZ2-CB 4Å; W849-R868 HydrophobicContact CZ2-CG 4.18Å; W849-R868 HydrophobicContact CZ3-CB 3.68Å; R868-N883 CarbonylContact O-C 3.4Å; R868-N883 VanDerWaalsContact O-CA 3.23Å; R868-N883 WeakPolarHBondContact O-CA 3.22Å; R868-E884 HydrophobicContact CB-CB 4.4Å; R868-E884 VanDerWaalsContact CZ-CD 3.5Å; R868-E884 IonicContact CZ-OE1 2.6Å; R868-E884 IonicContact CZ-OE2 3.97Å; R868-E884 PolarHBondContact N-O 2.59Å; R868-E884 IonicContact NH1-OE2 2.76Å; R868-E884 PolarHBondContact NH1-OE2 3.1Å; R868-E884 IonicContact NH2-OE1 3.79Å; R868-E884 PolarHBondContact NH2-OE1 3.18Å; R868-E884 IonicContact NH2-OE2 3.11Å; R868-E884 PolarHBondContact NH2-OE2 2.94Å; R868-E884 PolarHBondContact O-N 3.32Å
869	R	59.2	Low	57.5	Low	153 Å²	153	68.6 Å²	68.6	58%	0.577	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	131.1	158.4	-73.4	-150.2	174.6	163.8	-0.7	110.2	L848 N883	L848-R869 PolarHBondContact N-O 2.83Å; L848-R869 VanDerWaalsContact N-O 3.14Å; L848-R869 PolarHBondContact O-N 2.96Å; R869-N883 VanDerWaalsContact CD-OD1 3.24Å; R869-N883 WeakPolarHBondContact CD-OD1 3.34Å; R869-N883 HydrophobicContact CG-CB 4.45Å; R869-N883 WeakPolarHBondContact CG-OD1 3.4Å; R869-N883 PolarHBondContact NE-ND2 2.85Å; R869-N883 VanDerWaalsContact NE-ND2 3.2Å; R869-N883 PolarHBondContact NE-OD1 2.71Å; R869-N883 VanDerWaalsContact NE-OD1 3.14Å
870	V	57.7	Low	57.2	Low	24 Å²	24	76.7 Å²	76.7	15%	0.145	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.4	170.5	-177.1	0	0	0	0	106.6	C845 Q847 S882	C845-V870 HydrophobicContact CB-CG1 4.35Å; Q847-V870 HydrophobicContact CG-CG1 4.47Å; Q847-V870 HydrophobicContact CG-CG2 4.21Å; V870-S882 PolarHBondContact N-O 3.16Å; V870-S882 VanDerWaalsContact N-O 3.14Å
871	L	50.5	Low	57	Low	104 Å²	104	81 Å²	81	55%	0.545	47%	0.473	S	S	.	.			trans	-105.6	122.3	-179.9	-84.5	155.4	0	0	0	109.6	Q846	Q846-L871 PolarHBondContact O-N 3.33Å
872	C	54.4	Low	56.9	Low	34 Å²	34	80.7 Å²	80.7	23%	0.23	46%	0.46	C	S	.	.			trans	-77.7	140	172	-87.6	0	0	0	0	111.8	S874 C879 D881	C872-S874 PolarHBondContact O-N 2.84Å; C872-C879 HydrophobicContact CB-CB 3.81Å; C872-C879 WeakPolarHBondContact CB-SG 3.3Å; C872-C879 WeakPolarHBondContact SG-CB 3.31Å; C872-C879 CovalentContact SG-SG 2.02Å; C872-C879 PolarHBondContact SG-SG 3.15Å; C872-D881 PolarHBondContact N-OD1 3.46Å
873	P	49.6	Very low	56.6	Low	81 Å²	81	84.6 Å²	84.6	53%	0.526	48%	0.48	S	S	.	.			trans	-65.7	116.6	173.6	-15.7	28.9	0	0	0	111.6
874	S	46.4	Very low	56.2	Low	125 Å²	125	85.6 Å²	85.6	87%	0.874	48%	0.483	S	S	*	.	S	Bend	trans	26.2	94.5	155.4	-52.5	0	0	0	0	117.9	C872	C872-S874 PolarHBondContact O-N 2.84Å
875	G	43.6	Very low	55.7	Low	78 Å²	78	90 Å²	90	80%	0.804	51%	0.509	S	S	*	.			trans	99.7	4.3	142.6	0	0	0	0	0	119.1
876	S	48.5	Very low	55.4	Low	59 Å²	59	91.5 Å²	91.5	41%	0.413	51%	0.51	S	S	.	.			trans	-84.8	117.3	168.7	67	0	0	0	0	110.3	D878 C879	S876-D878 PolarHBondContact O-N 3.02Å; S876-C879 PolarHBondContact O-N 3.35Å
877	I	50.6	Low	55.5	Low	182 Å²	182	92.6 Å²	92.6	93%	0.933	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-1	-174.3	-75.4	163.5	0	0	0	114.9
878	D	47.3	Very low	55.6	Low	164 Å²	164	95 Å²	95	88%	0.877	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	21.9	-174.6	-152.5	21.9	0	0	0	114.8	S876	S876-D878 PolarHBondContact O-N 3.02Å
879	C	47.3	Very low	56.1	Low	49 Å²	49	98.2 Å²	98.2	33%	0.331	56%	0.559	S	S	.	*			trans	-114.4	132	168.6	166.7	0	0	0	0	111.2	C872 S876	C872-C879 HydrophobicContact CB-CB 3.81Å; C872-C879 WeakPolarHBondContact CB-SG 3.3Å; C872-C879 WeakPolarHBondContact SG-CB 3.31Å; C872-C879 CovalentContact SG-SG 2.02Å; C872-C879 PolarHBondContact SG-SG 3.15Å; S876-C879 PolarHBondContact O-N 3.35Å
880	H	54.2	Low	56.6	Low	186 Å²	186	92.5 Å²	92.5	86%	0.861	54%	0.542	S	S	*	.			trans	-107.7	121.3	171.1	-110.5	-77.2	0	0	0	110
881	D	52.7	Low	56.7	Low	93 Å²	93	98.9 Å²	98.9	50%	0.497	57%	0.57	S	S	.	*			trans	-62.5	140.3	172.6	-63.7	-31	0	0	0	110.7	C872	C872-D881 PolarHBondContact N-OD1 3.46Å
882	S	55.5	Low	57.1	Low	56 Å²	56	97.2 Å²	97.2	39%	0.392	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.5	147.8	176.4	72.9	0	0	0	0	112	V870	V870-S882 PolarHBondContact N-O 3.16Å; V870-S882 VanDerWaalsContact N-O 3.14Å
883	N	60.8	Low	57.2	Low	90 Å²	90	100.7 Å²	100.7	48%	0.481	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	130	178.5	-53	-13.7	0	0	0	108.5	R868 R869	R868-N883 CarbonylContact O-C 3.4Å; R868-N883 VanDerWaalsContact O-CA 3.23Å; R868-N883 WeakPolarHBondContact O-CA 3.22Å; R869-N883 VanDerWaalsContact CD-OD1 3.24Å; R869-N883 WeakPolarHBondContact CD-OD1 3.34Å; R869-N883 HydrophobicContact CG-CB 4.45Å; R869-N883 WeakPolarHBondContact CG-OD1 3.4Å; R869-N883 PolarHBondContact NE-ND2 2.85Å; R869-N883 VanDerWaalsContact NE-ND2 3.2Å; R869-N883 PolarHBondContact NE-OD1 2.71Å; R869-N883 VanDerWaalsContact NE-OD1 3.14Å
884	E	60	Low	57.4	Low	93 Å²	93	101.3 Å²	101.3	44%	0.435	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	147.3	174.4	-75.1	-177.8	-155.8	0	0	110.5	T867 R868	T867-E884 CarbonylContact C-O 3.54Å; T867-E884 WeakPolarHBondContact CA-O 3.4Å; R868-E884 HydrophobicContact CB-CB 4.4Å; R868-E884 VanDerWaalsContact CZ-CD 3.5Å; R868-E884 IonicContact CZ-OE1 2.6Å; R868-E884 IonicContact CZ-OE2 3.97Å; R868-E884 PolarHBondContact N-O 2.59Å; R868-E884 IonicContact NH1-OE2 2.76Å; R868-E884 PolarHBondContact NH1-OE2 3.1Å; R868-E884 IonicContact NH2-OE1 3.79Å; R868-E884 PolarHBondContact NH2-OE1 3.18Å; R868-E884 IonicContact NH2-OE2 3.11Å; R868-E884 PolarHBondContact NH2-OE2 2.94Å; R868-E884 PolarHBondContact O-N 3.32Å
885	T	65.6	Low	57.6	Low	101 Å²	101	100.7 Å²	100.7	62%	0.62	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.3	135.3	-177.9	-36.3	0	0	0	0	109.7	R866 T867	R866-T885 WeakPolarHBondContact O-CA 3.12Å; T867-T885 HydrophobicContact CG2-CG2 3.67Å
886	E	64.9	Low	58.3	Low	78 Å²	78	99 Å²	99	36%	0.364	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	145.9	177.4	-167.2	-178.9	-164.5	0	0	110.4	W849 W852 S865 R866	W849-E886 HydrophobicContact CH2-CB 4Å; W849-E886 HydrophobicContact CZ3-CB 3.76Å; W852-E886 HydrophobicContact CH2-CB 4.29Å; W852-E886 HydrophobicContact CH2-CG 4Å; S865-E886 VanDerWaalsContact CA-O 3.31Å; S865-E886 WeakPolarHBondContact CA-O 3.18Å; R866-E886 HydrophobicContact CG-CB 4.22Å; R866-E886 IonicContact CZ-OE2 3.15Å; R866-E886 VanDerWaalsContact CZ-OE2 3.24Å; R866-E886 PolarHBondContact N-O 3.45Å; R866-E886 IonicContact NE-OE2 3.15Å; R866-E886 PolarHBondContact NE-OE2 3.22Å; R866-E886 IonicContact NH2-OE2 2.67Å; R866-E886 PolarHBondContact NH2-OE2 3.38Å; R866-E886 PolarHBondContact O-N 2.93Å
887	V	70.7	Confident	59.2	Low	90 Å²	90	97 Å²	97	55%	0.545	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.8	-172.6	159.6	0	0	0	0	108.9	I863 G864	I863-V887 HydrophobicContact CB-CG1 4.37Å; I863-V887 HydrophobicContact CD1-CG1 4.22Å; I863-V887 HydrophobicContact CG1-CG1 4.14Å; I863-V887 HydrophobicContact CG2-CB 4.21Å; I863-V887 HydrophobicContact CG2-CG1 3.39Å; I863-V887 HydrophobicContact CG2-CG2 4.14Å; G864-V887 WeakPolarHBondContact O-CA 3.48Å
888	E	67.1	Low	60.1	Low	118 Å²	118	96 Å²	96	55%	0.551	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.2	175.9	-173.4	175.4	-152.9	0	0	110.7	W852 I863 G864	W852-E888 HydrophobicContact CH2-CB 3.58Å; W852-E888 HydrophobicContact CZ2-CB 4.21Å; W852-E888 HydrophobicContact CZ3-CB 3.81Å; I863-E888 WeakPolarHBondContact CA-O 3.37Å; G864-E888 PolarHBondContact N-O 3.37Å; G864-E888 PolarHBondContact O-N 3.33Å
889	S	71.7	Confident	61.4	Low	105 Å²	105	91.1 Å²	91.1	73%	0.734	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.2	175.9	-54.7	0	0	0	0	111	G862	G862-S889 CarbonylContact O-C 3.59Å; G862-S889 WeakPolarHBondContact O-CA 3.36Å
890	C	70.7	Confident	62.9	Low	32 Å²	32	90.7 Å²	90.7	22%	0.216	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.1	174.1	50.5	0	0	0	0	110.4	C855 G861 G862 I863	C855-C890 WeakPolarHBondContact CA-SG 3.47Å; C855-C890 HydrophobicContact CB-CB 3.88Å; C855-C890 WeakPolarHBondContact CB-SG 3Å; C855-C890 WeakPolarHBondContact SG-CB 3.26Å; C855-C890 CovalentContact SG-SG 2.03Å; C855-C890 PolarHBondContact SG-SG 3.07Å; G861-C890 CarbonylContact C-O 3.53Å; G861-C890 WeakPolarHBondContact CA-O 3.48Å; G862-C890 PolarHBondContact N-O 3.04Å; G862-C890 PolarHBondContact O-N 3Å; G862-C890 PolarHBondContact O-SG 3.43Å; G862-C890 VanDerWaalsContact O-SG 3.38Å; I863-C890 PolarHBondContact N-SG 2.74Å
891	E	59.1	Low	64	Low	159 Å²	159	87.2 Å²	87.2	74%	0.743	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.8	179.8	-67	-175.8	-175.1	0	0	111.5
892	N	58.2	Low	65.4	Low	69 Å²	69	86.5 Å²	86.5	37%	0.369	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	81.6	178.2	-141.9	-7.2	0	0	0	110.3	C859 G860	C859-N892 CarbonylContact C-O 3.4Å; C859-N892 VanDerWaalsContact CA-O 3.26Å; C859-N892 WeakPolarHBondContact CA-O 3.41Å; G860-N892 PolarHBondContact N-O 2.77Å; G860-N892 PolarHBondContact O-N 2.85Å
893	N	56.1	Low	66.7	Low	107 Å²	107	85.5 Å²	85.5	57%	0.572	49%	0.486	S	S	*	.			trans	-88.1	-1.6	-171.9	-84.7	-11.5	0	0	0	115.2	L895	N893-L895 VanDerWaalsContact C-N 3.35Å; N893-L895 PolarHBondContact O-N 3.23Å
894	A	53.8	Low	67.9	Low	93 Å²	93	89.8 Å²	89.8	77%	0.769	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.1	-169	0	0	0	0	0	115.3
895	L	52.4	Low	69.1	Low	112 Å²	112	88 Å²	88	59%	0.586	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	16.1	-171.5	-78.4	157.3	0	0	0	114.3	N893	N893-L895 VanDerWaalsContact C-N 3.35Å; N893-L895 PolarHBondContact O-N 3.23Å
896	C	57.9	Low	69.9	Low	42 Å²	42	85.6 Å²	85.6	28%	0.284	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.7	-176.3	-64.1	0	0	0	0	112.9	N933 L935	C896-N933 WeakPolarHBondContact CA-O 3.43Å; C896-L935 HydrophobicContact CB-CD1 4.33Å; C896-L935 WeakPolarHBondContact SG-CD1 3.42Å
897	G	67.5	Low	70.8	Confident	18 Å²	18	86 Å²	86	19%	0.186	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	166.6	174	0	0	0	0	0	113.5	N933 C934	G897-N933 PolarHBondContact N-O 3.03Å; G897-N933 VanDerWaalsContact N-O 3.07Å; G897-C934 PolarHBondContact O-SG 3.24Å
898	Q	69.4	Low	71.4	Confident	160 Å²	160	83.4 Å²	83.4	75%	0.748	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.4	177.4	-65.9	-168.3	-0.5	0	0	112.6	S924 C934	Q898-S924 PolarHBondContact N-O 3.34Å; Q898-S924 VanDerWaalsContact N-O 3.1Å; Q898-S924 PolarHBondContact O-N 2.98Å; Q898-C934 PolarHBondContact N-SG 3.05Å; Q898-C934 VanDerWaalsContact N-SG 3.38Å; Q898-C934 PolarHBondContact O-SG 3.46Å; Q898-C934 VanDerWaalsContact O-SG 3.33Å
899	W	74.8	Confident	72.1	Confident	62 Å²	62	81.6 Å²	81.6	24%	0.235	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.7	175.7	-74.4	111.4	0	0	0	112.3	R921 C923 C934 L935 G936	W899-R921 VanDerWaalsContact CD1-CZ 3.45Å; W899-R921 HydrophobicContact CD2-CG 4.11Å; W899-R921 HydrophobicContact CE3-CB 4.34Å; W899-R921 HydrophobicContact CE3-CG 3.57Å; W899-R921 HydrophobicContact CZ3-CG 4.14Å; W899-C923 HydrophobicContact CE3-CB 4.16Å; W899-C923 HydrophobicContact CH2-CB 4.28Å; W899-C923 HydrophobicContact CZ3-CB 3.85Å; W899-C934 HydrophobicContact CD2-CB 3.66Å; W899-C934 HydrophobicContact CE3-CB 4.17Å; W899-C934 HydrophobicContact CG-CB 4.11Å; W899-C934 HydrophobicContact CH2-CB 3.86Å; W899-C934 HydrophobicContact CZ2-CB 3.37Å; W899-C934 WeakPolarHBondContact CZ2-O 3.37Å; W899-C934 HydrophobicContact CZ3-CB 4.27Å; W899-L935 VanDerWaalsContact NE1-C 3.33Å; W899-L935 PolarHBondContact NE1-O 3.45Å; W899-G936 WeakPolarHBondContact CZ2-O 3.48Å
900	A	77.7	Confident	72	Confident	40 Å²	40	78.3 Å²	78.3	33%	0.331	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-68.2	169.6	162.5	0	0	0	0	0	111.7	R921 M922	A900-R921 WeakPolarHBondContact O-CB 3.4Å; A900-M922 VanDerWaalsContact CB-O 3.26Å; A900-M922 WeakPolarHBondContact CB-O 3.23Å; A900-M922 PolarHBondContact N-O 2.77Å
901	S	77.7	Confident	72.1	Confident	113 Å²	113	81.9 Å²	81.9	79%	0.79	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-54.2	145.6	173.3	-38	0	0	0	0	111.9	G903	S901-G903 PolarHBondContact O-N 3.31Å
902	W	81.6	Confident	72.8	Confident	79 Å²	79	74.7 Å²	74.7	30%	0.299	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-61.9	132.7	170.8	-75.3	106.1	0	0	0	111.6	R919 R921 D937 E940	W902-R919 HydrophobicContact CD2-CG 4.43Å; W902-R919 HydrophobicContact CE3-CB 4.48Å; W902-R919 HydrophobicContact CE3-CG 3.73Å; W902-R919 HydrophobicContact CZ3-CG 4.16Å; W902-R921 HydrophobicContact CD2-CB 4.25Å; W902-R921 HydrophobicContact CD2-CG 3.98Å; W902-R921 VanDerWaalsContact CE2-CD 3.49Å; W902-R921 HydrophobicContact CE3-CB 4.03Å; W902-R921 HydrophobicContact CE3-CG 3.76Å; W902-R921 HydrophobicContact CH2-CG 3.98Å; W902-R921 HydrophobicContact CZ2-CG 4.2Å; W902-R921 HydrophobicContact CZ3-CB 4.46Å; W902-R921 HydrophobicContact CZ3-CG 3.76Å; W902-D937 VanDerWaalsContact CH2-O 3.27Å; W902-D937 WeakPolarHBondContact CH2-O 3.05Å; W902-E940 HydrophobicContact CH2-CB 3.78Å; W902-E940 HydrophobicContact CZ2-CB 4.38Å; W902-E940 HydrophobicContact CZ3-CB 3.92Å
903	G	82.5	Confident	73.2	Confident	34 Å²	34	72.4 Å²	72.4	35%	0.351	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-69.4	170.4	168.1	0	0	0	0	0	112.9	S901 R919 S920	S901-G903 PolarHBondContact O-N 3.31Å; G903-R919 WeakPolarHBondContact O-CB 3.49Å; G903-S920 WeakPolarHBondContact CA-O 3.47Å; G903-S920 PolarHBondContact N-O 3.41Å
904	E	86.3	Confident	74.2	Confident	181 Å²	181	74.8 Å²	74.8	85%	0.846	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-62.9	150	176.1	-70.9	-62.9	147.6	0	0	112.1
905	W	85.2	Confident	75.6	Confident	54 Å²	54	70.6 Å²	70.6	21%	0.205	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-71	134.8	175.5	-74.5	99.7	0	0	0	111.1	Q917 R919 E940 R942	W905-Q917 HydrophobicContact CB-CB 4.41Å; W905-Q917 HydrophobicContact CD2-CB 4.42Å; W905-Q917 HydrophobicContact CE3-CB 3.7Å; W905-Q917 HydrophobicContact CZ3-CB 4.39Å; W905-Q917 WeakPolarHBondContact CZ3-O 3.46Å; W905-R919 HydrophobicContact CD2-CB 3.95Å; W905-R919 HydrophobicContact CD2-CG 3.82Å; W905-R919 HydrophobicContact CE3-CB 3.93Å; W905-R919 HydrophobicContact CE3-CG 3.83Å; W905-R919 HydrophobicContact CG-CB 4.34Å; W905-R919 HydrophobicContact CH2-CG 3.8Å; W905-R919 HydrophobicContact CZ2-CG 3.78Å; W905-R919 VanDerWaalsContact CZ2-NE 3.26Å; W905-R919 HydrophobicContact CZ3-CB 4.34Å; W905-R919 HydrophobicContact CZ3-CG 3.81Å; W905-E940 HydrophobicContact CH2-CB 3.93Å; W905-E940 HydrophobicContact CH2-CG 3.83Å; W905-E940 HydrophobicContact CZ2-CG 4.45Å; W905-E940 VanDerWaalsContact CZ3-O 3.26Å; W905-E940 WeakPolarHBondContact CZ3-O 2.88Å; W905-R942 HydrophobicContact CE3-CG 4.17Å; W905-R942 HydrophobicContact CH2-CB 3.88Å; W905-R942 HydrophobicContact CH2-CG 3.91Å; W905-R942 HydrophobicContact CZ2-CB 4.46Å; W905-R942 HydrophobicContact CZ2-CG 4.27Å; W905-R942 HydrophobicContact CZ3-CB 4.14Å; W905-R942 HydrophobicContact CZ3-CG 3.86Å
906	S	82.9	Confident	77.1	Confident	52 Å²	52	68 Å²	68	36%	0.364	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-61.1	160.7	172.5	76.4	0	0	0	0	112	Q917 K918	S906-Q917 WeakPolarHBondContact O-CG 3.4Å; S906-Q917 PolarHBondContact O-NE2 3.28Å; S906-K918 WeakPolarHBondContact CB-O 3.34Å; S906-K918 PolarHBondContact N-O 2.86Å; S906-K918 PolarHBondContact OG-N 2.89Å; S906-K918 PolarHBondContact OG-O 3.36Å
907	A	82.8	Confident	78.5	Confident	85 Å²	85	67.7 Å²	67.7	70%	0.702	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-54.1	153.4	162.4	0	0	0	0	0	110.8	S909	A907-S909 PolarHBondContact O-N 3.38Å
908	C	83.1	Confident	79.2	Confident	37 Å²	37	72.7 Å²	72.7	25%	0.25	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-61.1	130.1	177.8	-168.2	0	0	0	0	109.7	S910 Q917 C944 V946	C908-S910 PolarHBondContact O-N 2.8Å; C908-S910 VanDerWaalsContact O-N 3.14Å; C908-Q917 HydrophobicContact CB-CG 4.44Å; C908-C944 VanDerWaalsContact CA-SG 3.52Å; C908-C944 HydrophobicContact CB-CB 4.03Å; C908-C944 WeakPolarHBondContact CB-SG 3.42Å; C908-C944 WeakPolarHBondContact SG-CB 3.06Å; C908-C944 CovalentContact SG-SG 2.03Å; C908-C944 PolarHBondContact SG-SG 2.92Å; C908-V946 HydrophobicContact CB-CG2 4.35Å
909	S	81.9	Confident	80	Confident	80 Å²	80	68.1 Å²	68.1	56%	0.559	39%	0.39	S	S	*	.	S	Bend	trans	-63.1	-20.5	-174.9	67	0	0	0	0	114.2	A907 T916	A907-S909 PolarHBondContact O-N 3.38Å; S909-T916 WeakPolarHBondContact CB-O 3.4Å; S909-T916 PolarHBondContact N-O 2.84Å; S909-T916 PolarHBondContact OG-N 3.37Å; S909-T916 PolarHBondContact OG-O 3.06Å; S909-T916 PolarHBondContact OG-OG1 2.89Å
910	S	70.5	Confident	80.4	Confident	35 Å²	35	68.9 Å²	68.9	25%	0.245	41%	0.405	C	S	.	.			trans	-119.7	132.1	-176.9	-49.5	0	0	0	0	108.8	C908 C912 Q914 G915 V946	C908-S910 PolarHBondContact O-N 2.8Å; C908-S910 VanDerWaalsContact O-N 3.14Å; S910-C912 VanDerWaalsContact C-N 3.29Å; S910-C912 VanDerWaalsContact CB-O 3.24Å; S910-C912 WeakPolarHBondContact CB-O 3.11Å; S910-Q914 PolarHBondContact OG-O 2.96Å; S910-Q914 VanDerWaalsContact OG-O 3.08Å; S910-G915 WeakPolarHBondContact OG-CA 3.37Å; S910-V946 VanDerWaalsContact O-CG2 3.26Å; S910-V946 WeakPolarHBondContact O-CG2 3.09Å
911	T	73.9	Confident	80.5	Confident	107 Å²	107	69.6 Å²	69.6	66%	0.656	40%	0.399	S	S	*	.	S	Bend	trans	-81.2	-11.9	174.7	50.6	0	0	0	0	112.8	V946	T911-V946 WeakPolarHBondContact O-CG1 3.48Å
912	C	73.3	Confident	80.5	Confident	9 Å²	9	71.3 Å²	71.3	6%	0.061	40%	0.396	C	S	.	.	S	Bend	trans	-143.2	155.5	172	68.5	0	0	0	0	109.5	S910 T947 C949	S910-C912 VanDerWaalsContact C-N 3.29Å; S910-C912 VanDerWaalsContact CB-O 3.24Å; S910-C912 WeakPolarHBondContact CB-O 3.11Å; C912-T947 CarbonylContact C-O 3.44Å; C912-T947 WeakPolarHBondContact CA-O 3.31Å; C912-T947 WeakPolarHBondContact CB-O 3.27Å; C912-C949 HydrophobicContact CB-CB 4.08Å; C912-C949 WeakPolarHBondContact CB-SG 3.09Å; C912-C949 PolarHBondContact O-SG 3.34Å; C912-C949 WeakPolarHBondContact SG-CB 3.27Å; C912-C949 CovalentContact SG-SG 2.06Å; C912-C949 PolarHBondContact SG-SG 2.89Å
913	G	65.7	Low	80.1	Confident	21 Å²	21	69.4 Å²	69.4	22%	0.216	39%	0.394	C	S	.	.	S	Bend	trans	70.4	-154.8	177.3	0	0	0	0	0	113.5	V946 T947	G913-V946 PolarHBondContact O-N 3.11Å; G913-T947 PolarHBondContact N-O 3.49Å
914	Q	77.5	Confident	79	Confident	157 Å²	157	71.2 Å²	71.2	73%	0.734	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.9	172.5	-69.2	-160.9	-5.9	0	0	110.1	S910 C944	S910-Q914 PolarHBondContact OG-O 2.96Å; S910-Q914 VanDerWaalsContact OG-O 3.08Å; Q914-C944 WeakPolarHBondContact CA-O 3.44Å
915	G	82.1	Confident	77.7	Confident	4 Å²	4	64.6 Å²	64.6	4%	0.041	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-174.8	167.7	0	0	0	0	0	111.1	S910 S943 C944	S910-G915 WeakPolarHBondContact OG-CA 3.37Å; G915-S943 WeakPolarHBondContact O-CA 3.48Å; G915-C944 CarbonylContact C-O 3.6Å; G915-C944 PolarHBondContact N-O 3.41Å; G915-C944 PolarHBondContact O-N 3.1Å; G915-C944 VanDerWaalsContact O-O 3.04Å; G915-C944 PolarHBondContact O-SG 3.33Å; G915-C944 VanDerWaalsContact O-SG 3.4Å
916	T	84.6	Confident	76.2	Confident	58 Å²	58	70.9 Å²	70.9	36%	0.356	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.5	176.9	55.4	0	0	0	0	110.6	S909 V941 R942 C944	S909-T916 WeakPolarHBondContact CB-O 3.4Å; S909-T916 PolarHBondContact N-O 2.84Å; S909-T916 PolarHBondContact OG-N 3.37Å; S909-T916 PolarHBondContact OG-O 3.06Å; S909-T916 PolarHBondContact OG-OG1 2.89Å; T916-V941 HydrophobicContact CG2-CG1 3.92Å; T916-R942 CarbonylContact C-O 3.48Å; T916-R942 WeakPolarHBondContact CA-O 3.3Å; T916-C944 VanDerWaalsContact C-SG 3.54Å; T916-C944 PolarHBondContact N-SG 2.76Å; T916-C944 VanDerWaalsContact N-SG 3.36Å
917	Q	87	Confident	74.5	Confident	36 Å²	36	78.2 Å²	78.2	17%	0.168	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146.4	166.6	-59.3	-174.7	-70.5	0	0	108.1	W905 S906 C908 V941 R942 C944	W905-Q917 HydrophobicContact CB-CB 4.41Å; W905-Q917 HydrophobicContact CD2-CB 4.42Å; W905-Q917 HydrophobicContact CE3-CB 3.7Å; W905-Q917 HydrophobicContact CZ3-CB 4.39Å; W905-Q917 WeakPolarHBondContact CZ3-O 3.46Å; S906-Q917 WeakPolarHBondContact O-CG 3.4Å; S906-Q917 PolarHBondContact O-NE2 3.28Å; C908-Q917 HydrophobicContact CB-CG 4.44Å; Q917-V941 VanDerWaalsContact O-CA 3.32Å; Q917-V941 WeakPolarHBondContact O-CA 3.31Å; Q917-R942 HydrophobicContact CB-CG 4.21Å; Q917-R942 PolarHBondContact N-O 2.79Å; Q917-R942 PolarHBondContact O-N 3.09Å; Q917-R942 VanDerWaalsContact OE1-CZ 3.29Å; Q917-C944 HydrophobicContact CG-CB 4.23Å
918	K	82.6	Confident	72.7	Confident	123 Å²	123	77.9 Å²	77.9	54%	0.535	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.2	176.2	-108.1	-178.1	177.3	-175	0	110.4	S906 E940 V941	S906-K918 WeakPolarHBondContact CB-O 3.34Å; S906-K918 PolarHBondContact N-O 2.86Å; S906-K918 PolarHBondContact OG-N 2.89Å; S906-K918 PolarHBondContact OG-O 3.36Å; K918-E940 WeakPolarHBondContact CA-O 3.5Å; K918-V941 HydrophobicContact CD-CG2 4.18Å; K918-V941 VanDerWaalsContact CE-CG2 3.41Å; K918-V941 HydrophobicContact CG-CB 4.35Å; K918-V941 HydrophobicContact CG-CG1 4.33Å; K918-V941 HydrophobicContact CG-CG2 3.64Å
919	R	87.5	Confident	70.8	Confident	64 Å²	64	81.2 Å²	81.2	24%	0.242	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.2	163.9	62.7	174.6	179.8	-177.4	-1.1	109.7	W902 G903 W905 A939 E940	W902-R919 HydrophobicContact CD2-CG 4.43Å; W902-R919 HydrophobicContact CE3-CB 4.48Å; W902-R919 HydrophobicContact CE3-CG 3.73Å; W902-R919 HydrophobicContact CZ3-CG 4.16Å; G903-R919 WeakPolarHBondContact O-CB 3.49Å; W905-R919 HydrophobicContact CD2-CB 3.95Å; W905-R919 HydrophobicContact CD2-CG 3.82Å; W905-R919 HydrophobicContact CE3-CB 3.93Å; W905-R919 HydrophobicContact CE3-CG 3.83Å; W905-R919 HydrophobicContact CG-CB 4.34Å; W905-R919 HydrophobicContact CH2-CG 3.8Å; W905-R919 HydrophobicContact CZ2-CG 3.78Å; W905-R919 VanDerWaalsContact CZ2-NE 3.26Å; W905-R919 HydrophobicContact CZ3-CB 4.34Å; W905-R919 HydrophobicContact CZ3-CG 3.81Å; R919-A939 CarbonylContact O-C 3.54Å; R919-A939 VanDerWaalsContact O-CA 3.22Å; R919-A939 WeakPolarHBondContact O-CA 3.08Å; R919-E940 HydrophobicContact CG-CB 4.03Å; R919-E940 IonicContact CZ-OE2 3.9Å; R919-E940 PolarHBondContact N-O 2.9Å; R919-E940 IonicContact NE-OE2 2.68Å; R919-E940 PolarHBondContact NE-OE2 2.84Å; R919-E940 IonicContact NH2-OE1 3.71Å; R919-E940 IonicContact NH2-OE2 2.7Å; R919-E940 PolarHBondContact NH2-OE2 3.28Å; R919-E940 PolarHBondContact O-N 3.06Å
920	S	83.1	Confident	69.1	Low	78 Å²	78	83.3 Å²	83.3	55%	0.545	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.8	179.1	54.4	0	0	0	0	111.8	G903 S938	G903-S920 WeakPolarHBondContact CA-O 3.47Å; G903-S920 PolarHBondContact N-O 3.41Å; S920-S938 CarbonylContact C-O 3.58Å; S920-S938 WeakPolarHBondContact CA-O 3.31Å; S920-S938 WeakPolarHBondContact CB-O 3.46Å
921	R	79.8	Confident	68	Low	54 Å²	54	85.6 Å²	85.6	20%	0.204	49%	0.489	C	S	.	.			trans	-127.9	151.7	173.4	51.1	-178.8	-176.3	172.5	0.5	109.4	W899 A900 W902 D937 S938	W899-R921 VanDerWaalsContact CD1-CZ 3.45Å; W899-R921 HydrophobicContact CD2-CG 4.11Å; W899-R921 HydrophobicContact CE3-CB 4.34Å; W899-R921 HydrophobicContact CE3-CG 3.57Å; W899-R921 HydrophobicContact CZ3-CG 4.14Å; A900-R921 WeakPolarHBondContact O-CB 3.4Å; W902-R921 HydrophobicContact CD2-CB 4.25Å; W902-R921 HydrophobicContact CD2-CG 3.98Å; W902-R921 VanDerWaalsContact CE2-CD 3.49Å; W902-R921 HydrophobicContact CE3-CB 4.03Å; W902-R921 HydrophobicContact CE3-CG 3.76Å; W902-R921 HydrophobicContact CH2-CG 3.98Å; W902-R921 HydrophobicContact CZ2-CG 4.2Å; W902-R921 HydrophobicContact CZ3-CB 4.46Å; W902-R921 HydrophobicContact CZ3-CG 3.76Å; R921-D937 VanDerWaalsContact CZ-O 3.3Å; R921-D937 PolarHBondContact NE-O 2.63Å; R921-D937 PolarHBondContact NH2-O 3.44Å; R921-S938 PolarHBondContact N-O 3.38Å
922	M	76.5	Confident	67	Low	150 Å²	150	83.1 Å²	83.1	74%	0.739	48%	0.476	S	S	*	.			trans	-95.5	149.2	178.3	-68.2	-177.8	72	0	0	111	A900	A900-M922 VanDerWaalsContact CB-O 3.26Å; A900-M922 WeakPolarHBondContact CB-O 3.23Å; A900-M922 PolarHBondContact N-O 2.77Å
923	C	73.5	Confident	66.4	Low	38 Å²	38	87.1 Å²	87.1	26%	0.257	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.9	173.4	179.3	0	0	0	0	109.2	W899 S932 C934	W899-C923 HydrophobicContact CE3-CB 4.16Å; W899-C923 HydrophobicContact CH2-CB 4.28Å; W899-C923 HydrophobicContact CZ3-CB 3.85Å; C923-S932 VanDerWaalsContact SG-C 3.6Å; C923-S932 PolarHBondContact SG-O 2.92Å; C923-C934 WeakPolarHBondContact CA-SG 3.47Å; C923-C934 HydrophobicContact CB-CB 3.76Å; C923-C934 WeakPolarHBondContact CB-SG 3.42Å; C923-C934 WeakPolarHBondContact SG-CB 3.17Å; C923-C934 PolarHBondContact SG-N 3.04Å; C923-C934 VanDerWaalsContact SG-N 3.4Å; C923-C934 CovalentContact SG-SG 2.01Å; C923-C934 PolarHBondContact SG-SG 2.66Å
924	S	60.1	Low	66.5	Low	72 Å²	72	86.8 Å²	86.8	50%	0.503	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.6	175.1	-52.2	0	0	0	0	108.9	Q898	Q898-S924 PolarHBondContact N-O 3.34Å; Q898-S924 VanDerWaalsContact N-O 3.1Å; Q898-S924 PolarHBondContact O-N 2.98Å
925	G	58.2	Low	66	Low	42 Å²	42	83.7 Å²	83.7	43%	0.433	48%	0.479	S	S	.	.			trans	-120	159.9	166.1	0	0	0	0	0	110	S932	G925-S932 VanDerWaalsContact CA-OG 3.27Å; G925-S932 WeakPolarHBondContact CA-OG 3.44Å; G925-S932 PolarHBondContact N-OG 2.91Å
926	E	54.5	Low	65.4	Low	186 Å²	186	86 Å²	86	87%	0.869	50%	0.503	S	S	*	.			trans	-66.6	147.6	178.3	-65.8	-167.7	161.8	0	0	111.5	G928	E926-G928 PolarHBondContact O-N 2.91Å; E926-G928 VanDerWaalsContact O-N 3.17Å
927	E	45.8	Very low	65	Low	207 Å²	207	88.8 Å²	88.8	97%	0.967	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	115.5	-174.5	-70.6	-176.9	154.6	0	0	112
928	G	46.5	Very low	64.6	Low	77 Å²	77	90.2 Å²	90.2	79%	0.794	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.9	-15.7	164.5	0	0	0	0	0	115.8	E926	E926-G928 PolarHBondContact O-N 2.91Å; E926-G928 VanDerWaalsContact O-N 3.17Å
929	D	43.4	Very low	64.6	Low	107 Å²	107	86.2 Å²	86.2	57%	0.572	52%	0.519	S	S	*	.			trans	-115.7	119.6	178.4	-149.4	7.3	0	0	0	111.3	T931	D929-T931 PolarHBondContact O-N 3.1Å
930	S	46.3	Very low	64.3	Low	124 Å²	124	86.5 Å²	86.5	87%	0.867	52%	0.524	S	S	*	.	S	Bend	trans	-78.3	21.6	-167.2	-52.1	0	0	0	0	113.4
931	T	46.4	Very low	64.5	Low	84 Å²	84	86.4 Å²	86.4	52%	0.515	52%	0.519	S	S	.	.			trans	-136.9	48.3	-169.4	27.4	0	0	0	0	111.4	D929 N933	D929-T931 PolarHBondContact O-N 3.1Å; T931-N933 VanDerWaalsContact C-N 3.33Å; T931-N933 PolarHBondContact O-N 2.79Å
932	S	51.9	Low	64.5	Low	54 Å²	54	89.5 Å²	89.5	38%	0.378	53%	0.531	S	S	.	.			trans	-64.8	89.4	171.2	-56.6	0	0	0	0	110.6	C923 G925	C923-S932 VanDerWaalsContact SG-C 3.6Å; C923-S932 PolarHBondContact SG-O 2.92Å; G925-S932 VanDerWaalsContact CA-OG 3.27Å; G925-S932 WeakPolarHBondContact CA-OG 3.44Å; G925-S932 PolarHBondContact N-OG 2.91Å
933	N	60.6	Low	64.7	Low	94 Å²	94	86.8 Å²	86.8	50%	0.503	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	99.8	-174.6	-149.3	10.1	0	0	0	108.6	C859 C896 G897 T931	C859-N933 HydrophobicContact CB-CB 4.5Å; C859-N933 WeakPolarHBondContact SG-CB 3.37Å; C859-N933 VanDerWaalsContact SG-CG 3.54Å; C859-N933 PolarHBondContact SG-ND2 2.65Å; C859-N933 VanDerWaalsContact SG-ND2 3.38Å; C896-N933 WeakPolarHBondContact CA-O 3.43Å; G897-N933 PolarHBondContact N-O 3.03Å; G897-N933 VanDerWaalsContact N-O 3.07Å; T931-N933 VanDerWaalsContact C-N 3.33Å; T931-N933 PolarHBondContact O-N 2.79Å
934	C	69.6	Low	64.9	Low	13 Å²	13	86 Å²	86	9%	0.088	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.7	-178.9	-69.3	0	0	0	0	111.3	G897 Q898 W899 C923	G897-C934 PolarHBondContact O-SG 3.24Å; Q898-C934 PolarHBondContact N-SG 3.05Å; Q898-C934 VanDerWaalsContact N-SG 3.38Å; Q898-C934 PolarHBondContact O-SG 3.46Å; Q898-C934 VanDerWaalsContact O-SG 3.33Å; W899-C934 HydrophobicContact CD2-CB 3.66Å; W899-C934 HydrophobicContact CE3-CB 4.17Å; W899-C934 HydrophobicContact CG-CB 4.11Å; W899-C934 HydrophobicContact CH2-CB 3.86Å; W899-C934 HydrophobicContact CZ2-CB 3.37Å; W899-C934 WeakPolarHBondContact CZ2-O 3.37Å; W899-C934 HydrophobicContact CZ3-CB 4.27Å; C923-C934 WeakPolarHBondContact CA-SG 3.47Å; C923-C934 HydrophobicContact CB-CB 3.76Å; C923-C934 WeakPolarHBondContact CB-SG 3.42Å; C923-C934 WeakPolarHBondContact SG-CB 3.17Å; C923-C934 PolarHBondContact SG-N 3.04Å; C923-C934 VanDerWaalsContact SG-N 3.4Å; C923-C934 CovalentContact SG-SG 2.01Å; C923-C934 PolarHBondContact SG-SG 2.66Å
935	L	65.7	Low	65.2	Low	92 Å²	92	87 Å²	87	48%	0.482	53%	0.529	S	S	.	.	S	Bend	trans	-85.4	129.2	179.1	-76	168.2	0	0	0	113	C896 W899	C896-L935 HydrophobicContact CB-CD1 4.33Å; C896-L935 WeakPolarHBondContact SG-CD1 3.42Å; W899-L935 VanDerWaalsContact NE1-C 3.33Å; W899-L935 PolarHBondContact NE1-O 3.45Å
936	G	69	Low	65.7	Low	52 Å²	52	88 Å²	88	54%	0.536	53%	0.526	S	S	.	.	S	Bend	trans	109.5	171.9	-176.1	0	0	0	0	0	112.2	W899 S938	W899-G936 WeakPolarHBondContact CZ2-O 3.48Å; G936-S938 PolarHBondContact O-N 3.01Å
937	D	76.4	Confident	66.3	Low	117 Å²	117	84.4 Å²	84.4	63%	0.626	52%	0.517	S	S	*	.			trans	-71.7	133.8	-173.5	-60.1	-51.6	0	0	0	111.9	W902 R921 A939	W902-D937 VanDerWaalsContact CH2-O 3.27Å; W902-D937 WeakPolarHBondContact CH2-O 3.05Å; R921-D937 VanDerWaalsContact CZ-O 3.3Å; R921-D937 PolarHBondContact NE-O 2.63Å; R921-D937 PolarHBondContact NH2-O 3.44Å; D937-A939 WeakPolarHBondContact CB-O 3.05Å
938	S	79.5	Confident	66.6	Low	66 Å²	66	79.2 Å²	79.2	46%	0.462	51%	0.509	S	S	.	.	S	Bend	trans	-75.2	-18.7	170.1	63.3	0	0	0	0	112.3	S920 R921 G936	S920-S938 CarbonylContact C-O 3.58Å; S920-S938 WeakPolarHBondContact CA-O 3.31Å; S920-S938 WeakPolarHBondContact CB-O 3.46Å; R921-S938 PolarHBondContact N-O 3.38Å; G936-S938 PolarHBondContact O-N 3.01Å
939	A	82	Confident	66.9	Low	39 Å²	39	78.6 Å²	78.6	32%	0.322	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.1	-176.9	0	0	0	0	0	110.8	R919 D937	R919-A939 CarbonylContact O-C 3.54Å; R919-A939 VanDerWaalsContact O-CA 3.22Å; R919-A939 WeakPolarHBondContact O-CA 3.08Å; D937-A939 WeakPolarHBondContact CB-O 3.05Å
940	E	82	Confident	67.4	Low	71 Å²	71	79.8 Å²	79.8	33%	0.332	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.6	176.8	-164.4	-173.8	165.3	0	0	109.6	W902 W905 K918 R919	W902-E940 HydrophobicContact CH2-CB 3.78Å; W902-E940 HydrophobicContact CZ2-CB 4.38Å; W902-E940 HydrophobicContact CZ3-CB 3.92Å; W905-E940 HydrophobicContact CH2-CB 3.93Å; W905-E940 HydrophobicContact CH2-CG 3.83Å; W905-E940 HydrophobicContact CZ2-CG 4.45Å; W905-E940 VanDerWaalsContact CZ3-O 3.26Å; W905-E940 WeakPolarHBondContact CZ3-O 2.88Å; K918-E940 WeakPolarHBondContact CA-O 3.5Å; R919-E940 HydrophobicContact CG-CB 4.03Å; R919-E940 IonicContact CZ-OE2 3.9Å; R919-E940 PolarHBondContact N-O 2.9Å; R919-E940 IonicContact NE-OE2 2.68Å; R919-E940 PolarHBondContact NE-OE2 2.84Å; R919-E940 IonicContact NH2-OE1 3.71Å; R919-E940 IonicContact NH2-OE2 2.7Å; R919-E940 PolarHBondContact NH2-OE2 3.28Å; R919-E940 PolarHBondContact O-N 3.06Å
941	V	87.4	Confident	67.4	Low	75 Å²	75	82.1 Å²	82.1	46%	0.455	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.5	-179.6	-167.1	0	0	0	0	109.4	T916 Q917 K918	T916-V941 HydrophobicContact CG2-CG1 3.92Å; Q917-V941 VanDerWaalsContact O-CA 3.32Å; Q917-V941 WeakPolarHBondContact O-CA 3.31Å; K918-V941 HydrophobicContact CD-CG2 4.18Å; K918-V941 VanDerWaalsContact CE-CG2 3.41Å; K918-V941 HydrophobicContact CG-CB 4.35Å; K918-V941 HydrophobicContact CG-CG1 4.33Å; K918-V941 HydrophobicContact CG-CG2 3.64Å
942	R	79.9	Confident	67.4	Low	119 Å²	119	82.9 Å²	82.9	45%	0.449	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150	171.8	78.5	177.4	-175	-172.4	-1.3	112	W905 T916 Q917	W905-R942 HydrophobicContact CE3-CG 4.17Å; W905-R942 HydrophobicContact CH2-CB 3.88Å; W905-R942 HydrophobicContact CH2-CG 3.91Å; W905-R942 HydrophobicContact CZ2-CB 4.46Å; W905-R942 HydrophobicContact CZ2-CG 4.27Å; W905-R942 HydrophobicContact CZ3-CB 4.14Å; W905-R942 HydrophobicContact CZ3-CG 3.86Å; T916-R942 CarbonylContact C-O 3.48Å; T916-R942 WeakPolarHBondContact CA-O 3.3Å; Q917-R942 HydrophobicContact CB-CG 4.21Å; Q917-R942 PolarHBondContact N-O 2.79Å; Q917-R942 PolarHBondContact O-N 3.09Å; Q917-R942 VanDerWaalsContact OE1-CZ 3.29Å
943	S	81.3	Confident	67.2	Low	94 Å²	94	86.4 Å²	86.4	66%	0.657	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.7	177	-45.8	0	0	0	0	111.9	G915	G915-S943 WeakPolarHBondContact O-CA 3.48Å
944	C	75.7	Confident	66.8	Low	20 Å²	20	84.2 Å²	84.2	14%	0.135	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.5	170	45.9	0	0	0	0	109.1	C908 Q914 G915 T916 Q917	C908-C944 VanDerWaalsContact CA-SG 3.52Å; C908-C944 HydrophobicContact CB-CB 4.03Å; C908-C944 WeakPolarHBondContact CB-SG 3.42Å; C908-C944 WeakPolarHBondContact SG-CB 3.06Å; C908-C944 CovalentContact SG-SG 2.03Å; C908-C944 PolarHBondContact SG-SG 2.92Å; Q914-C944 WeakPolarHBondContact CA-O 3.44Å; G915-C944 CarbonylContact C-O 3.6Å; G915-C944 PolarHBondContact N-O 3.41Å; G915-C944 PolarHBondContact O-N 3.1Å; G915-C944 VanDerWaalsContact O-O 3.04Å; G915-C944 PolarHBondContact O-SG 3.33Å; G915-C944 VanDerWaalsContact O-SG 3.4Å; T916-C944 VanDerWaalsContact C-SG 3.54Å; T916-C944 PolarHBondContact N-SG 2.76Å; T916-C944 VanDerWaalsContact N-SG 3.36Å; Q917-C944 HydrophobicContact CG-CB 4.23Å
945	S	67.3	Low	66.1	Low	95 Å²	95	88 Å²	88	66%	0.664	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	175.9	-64.9	0	0	0	0	109.5
946	V	69.1	Low	66.2	Low	62 Å²	62	88.3 Å²	88.3	38%	0.376	53%	0.529	S	S	.	.			trans	-102	-174.5	166.5	-162.5	0	0	0	0	107.6	C908 S910 T911 G913	C908-V946 HydrophobicContact CB-CG2 4.35Å; S910-V946 VanDerWaalsContact O-CG2 3.26Å; S910-V946 WeakPolarHBondContact O-CG2 3.09Å; T911-V946 WeakPolarHBondContact O-CG1 3.48Å; G913-V946 PolarHBondContact O-N 3.11Å
947	T	66.2	Low	66.6	Low	110 Å²	110	88.2 Å²	88.2	68%	0.675	52%	0.519	S	S	*	.	S	Bend	trans	-68.1	149	-179.9	29.9	0	0	0	0	113.3	C912 G913	C912-T947 CarbonylContact C-O 3.44Å; C912-T947 WeakPolarHBondContact CA-O 3.31Å; C912-T947 WeakPolarHBondContact CB-O 3.27Å; G913-T947 PolarHBondContact N-O 3.49Å
948	A	53.3	Low	66.6	Low	98 Å²	98	90.6 Å²	90.6	81%	0.81	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53.9	141.9	-174.4	0	0	0	0	0	114.5
949	C	52.3	Low	66.6	Low	64 Å²	64	90.6 Å²	90.6	43%	0.432	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-84.1	145.4	176.9	-58.8	0	0	0	0	111.6	C912	C912-C949 HydrophobicContact CB-CB 4.08Å; C912-C949 WeakPolarHBondContact CB-SG 3.09Å; C912-C949 PolarHBondContact O-SG 3.34Å; C912-C949 WeakPolarHBondContact SG-CB 3.27Å; C912-C949 CovalentContact SG-SG 2.06Å; C912-C949 PolarHBondContact SG-SG 2.89Å
950	D	52.9	Low	66.7	Low	133 Å²	133	92.6 Å²	92.6	71%	0.711	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-98.3	134.4	-179.6	-168	5.1	0	0	0	111.3
951	E	46.3	Very low	66.6	Low	172 Å²	172	94.5 Å²	94.5	80%	0.804	55%	0.545	S	S	*	.			trans	-105.1	1.3	-162.6	-70.2	-155.5	160	0	0	115.8	T953	E951-T953 PolarHBondContact O-N 2.97Å
952	T	47.7	Very low	66.3	Low	100 Å²	100	92.9 Å²	92.9	61%	0.613	54%	0.537	S	S	*	.			trans	-84.5	117.6	-174	49.5	0	0	0	0	113.3
953	T	47.3	Very low	66.4	Low	128 Å²	128	91.6 Å²	91.6	79%	0.785	55%	0.546	S	S	*	.			trans	97	84.4	161.7	-28.9	0	0	0	0	116.6	E951	E951-T953 PolarHBondContact O-N 2.97Å
954	N	51.7	Low	65.7	Low	49 Å²	49	88.5 Å²	88.5	26%	0.262	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	120	173.1	-76.3	-51.7	0	0	0	112	K975 C983	N954-K975 HydrophobicContact CB-CD 3.59Å; N954-K975 HydrophobicContact CB-CG 3.92Å; N954-K975 VanDerWaalsContact O-CE 3.23Å; N954-K975 WeakPolarHBondContact O-CE 3.06Å; N954-C983 PolarHBondContact OD1-SG 2.85Å
955	S	54.8	Low	65.3	Low	91 Å²	91	94.5 Å²	94.5	64%	0.636	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	153	174.2	53.1	0	0	0	0	112.2	K975 Q976	S955-K975 WeakPolarHBondContact O-CG 3.3Å; S955-Q976 PolarHBondContact O-N 3.35Å; S955-Q976 VanDerWaalsContact O-N 3.09Å
956	W	68.2	Low	65.3	Low	99 Å²	99	93.5 Å²	93.5	38%	0.375	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.4	145.8	-178.3	-71.5	96	0	0	0	111.9	R973 K975 E988	W956-R973 HydrophobicContact CE3-CG 3.79Å; W956-R973 HydrophobicContact CZ3-CG 4.14Å; W956-K975 HydrophobicContact CD2-CB 4.1Å; W956-K975 HydrophobicContact CD2-CG 3.97Å; W956-K975 HydrophobicContact CE3-CB 3.92Å; W956-K975 HydrophobicContact CE3-CG 4.32Å; W956-K975 HydrophobicContact CG-CG 4.29Å; W956-K975 HydrophobicContact CH2-CB 4.32Å; W956-K975 HydrophobicContact CZ2-CB 4.48Å; W956-K975 HydrophobicContact CZ2-CD 4.19Å; W956-K975 HydrophobicContact CZ2-CG 4.43Å; W956-K975 HydrophobicContact CZ3-CB 4.04Å; W956-E988 HydrophobicContact CH2-CB 3.88Å; W956-E988 HydrophobicContact CZ3-CB 3.81Å
957	T	76.4	Confident	64.6	Low	50 Å²	50	91.4 Å²	91.4	31%	0.307	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-73.9	164.8	165	68.4	0	0	0	0	111	R974	T957-R974 WeakPolarHBondContact CB-O 3.43Å; T957-R974 VanDerWaalsContact CG2-O 3.32Å; T957-R974 WeakPolarHBondContact CG2-O 3.45Å; T957-R974 PolarHBondContact N-O 2.98Å; T957-R974 PolarHBondContact OG1-N 3.05Å; T957-R974 PolarHBondContact OG1-O 3.09Å
958	E	78.2	Confident	64.7	Low	168 Å²	168	94.1 Å²	94.1	79%	0.785	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-58.1	153.5	167.1	-69.1	-58.5	138.1	0	0	112
959	W	79.1	Confident	65.9	Low	66 Å²	66	89.5 Å²	89.5	25%	0.25	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-70.6	141.8	173.2	-72.3	95.9	0	0	0	110.9	K971 R973 E988 A990	W959-K971 HydrophobicContact CB-CD 4.19Å; W959-K971 HydrophobicContact CD2-CD 3.96Å; W959-K971 HydrophobicContact CD2-CG 4.19Å; W959-K971 HydrophobicContact CE3-CB 3.97Å; W959-K971 HydrophobicContact CE3-CD 3.91Å; W959-K971 HydrophobicContact CE3-CG 3.59Å; W959-K971 HydrophobicContact CG-CD 4.11Å; W959-K971 HydrophobicContact CZ3-CG 4.02Å; W959-K971 VanDerWaalsContact CZ3-O 3.25Å; W959-K971 WeakPolarHBondContact CZ3-O 3.41Å; W959-R973 HydrophobicContact CD2-CB 3.99Å; W959-R973 HydrophobicContact CD2-CG 3.8Å; W959-R973 VanDerWaalsContact CE2-CD 3.41Å; W959-R973 HydrophobicContact CE3-CB 4.03Å; W959-R973 HydrophobicContact CE3-CG 3.9Å; W959-R973 HydrophobicContact CG-CB 4.3Å; W959-R973 HydrophobicContact CG-CG 4.45Å; W959-R973 HydrophobicContact CH2-CG 3.96Å; W959-R973 HydrophobicContact CZ2-CG 3.85Å; W959-R973 VanDerWaalsContact CZ2-NE 3.28Å; W959-R973 HydrophobicContact CZ3-CB 4.49Å; W959-R973 HydrophobicContact CZ3-CG 3.97Å; W959-E988 HydrophobicContact CH2-CB 4.09Å; W959-E988 HydrophobicContact CH2-CG 3.82Å; W959-E988 HydrophobicContact CZ2-CG 4.45Å; W959-E988 WeakPolarHBondContact CZ3-O 3.28Å; W959-A990 HydrophobicContact CH2-CB 3.67Å; W959-A990 HydrophobicContact CZ2-CB 4.42Å; W959-A990 HydrophobicContact CZ3-CB 3.94Å
960	T	83.2	Confident	67.1	Low	80 Å²	80	90.7 Å²	90.7	49%	0.491	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-64.7	158.2	168	62.1	0	0	0	0	111.1	K971 S972	T960-K971 WeakPolarHBondContact O-CB 3.29Å; T960-S972 WeakPolarHBondContact CG2-O 3.36Å; T960-S972 PolarHBondContact N-O 3.16Å; T960-S972 PolarHBondContact OG1-N 3.27Å; T960-S972 PolarHBondContact OG1-O 3.1Å
961	S	81.1	Confident	68.6	Low	111 Å²	111	87.7 Å²	87.7	78%	0.776	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-51.9	146.9	164.1	-48.5	0	0	0	0	110.9
962	C	80.3	Confident	70.2	Confident	41 Å²	41	81 Å²	81	28%	0.277	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-64.2	137.5	178.3	-166.1	0	0	0	0	110.1	A964 C992 N993	C962-A964 PolarHBondContact O-N 3.27Å; C962-A964 PolarHBondContact SG-O 3.48Å; C962-C992 VanDerWaalsContact CA-SG 3.55Å; C962-C992 HydrophobicContact CB-CB 4.06Å; C962-C992 WeakPolarHBondContact CB-SG 3.34Å; C962-C992 WeakPolarHBondContact SG-CB 3.5Å; C962-C992 CovalentContact SG-SG 2.04Å; C962-C992 PolarHBondContact SG-SG 3.35Å; C962-N993 PolarHBondContact SG-ND2 3.23Å
963	S	81.5	Confident	71.5	Confident	92 Å²	92	79.5 Å²	79.5	64%	0.643	45%	0.45	S	S	*	.	S	Bend	trans	-67.9	-16.9	-178.7	65.6	0	0	0	0	114.4	G969 I970	S963-G969 WeakPolarHBondContact OG-CA 3.34Å; S963-I970 PolarHBondContact N-O 3.14Å; S963-I970 VanDerWaalsContact N-O 3.12Å; S963-I970 PolarHBondContact OG-N 2.88Å; S963-I970 PolarHBondContact OG-O 3.45Å
964	A	66.3	Low	72.7	Confident	29 Å²	29	80.1 Å²	80.1	24%	0.24	44%	0.437	C	S	.	.			trans	-130.3	141.6	179	0	0	0	0	0	110.1	C962 N993	C962-A964 PolarHBondContact O-N 3.27Å; C962-A964 PolarHBondContact SG-O 3.48Å; A964-N993 PolarHBondContact O-ND2 3.46Å
965	T	67.9	Low	73.4	Confident	147 Å²	147	79.9 Å²	79.9	90%	0.902	43%	0.434	S	S	*	.	S	Bend	trans	-85.4	-19.4	-179.7	47.4	0	0	0	0	113.4
966	C	68.3	Low	73.7	Confident	73 Å²	73	82.1 Å²	82.1	49%	0.493	44%	0.435	S	S	.	.	S	Bend	trans	-147.8	155.5	163.8	83.7	0	0	0	0	108.9	C997	C966-C997 HydrophobicContact CB-CB 4.24Å; C966-C997 WeakPolarHBondContact CB-SG 3.46Å; C966-C997 WeakPolarHBondContact SG-CB 3.39Å; C966-C997 CovalentContact SG-SG 2.07Å; C966-C997 PolarHBondContact SG-SG 3.05Å
967	G	54.2	Low	73.4	Confident	18 Å²	18	79.6 Å²	79.6	19%	0.186	43%	0.432	C	S	.	.	S	Bend	trans	76.5	-178.4	-175.4	0	0	0	0	0	113.4	G969 N993 C997	G967-G969 PolarHBondContact O-N 3.2Å; G967-N993 CarbonylContact C-O 3.16Å; G967-N993 WeakPolarHBondContact CA-O 3.24Å; G967-N993 CarbonylContact O-C 3.58Å; G967-N993 WeakPolarHBondContact O-CB 3.33Å; G967-C997 PolarHBondContact N-SG 3.14Å
968	E	68	Low	72.4	Confident	167 Å²	167	79.8 Å²	79.8	78%	0.78	44%	0.443	S	S	*	.	S	Bend	trans	-64.5	92.9	-171.8	-61.4	-163.6	144.4	0	0	112.9	L994	E968-L994 HydrophobicContact CG-CD2 4.42Å
969	G	77.8	Confident	71.3	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.01	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	172.3	169.8	0	0	0	0	0	112.2	S963 G967 P991 C992	S963-G969 WeakPolarHBondContact OG-CA 3.34Å; G967-G969 PolarHBondContact O-N 3.2Å; G969-P991 CarbonylContact O-C 3.24Å; G969-P991 WeakPolarHBondContact O-CA 3.43Å; G969-C992 PolarHBondContact N-O 3.05Å; G969-C992 PolarHBondContact O-N 2.88Å
970	I	78.7	Confident	70	Confident	89 Å²	89	82 Å²	82	46%	0.456	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.7	176.8	-57.6	172.8	0	0	0	108.9	S963 K989 A990	S963-I970 PolarHBondContact N-O 3.14Å; S963-I970 VanDerWaalsContact N-O 3.12Å; S963-I970 PolarHBondContact OG-N 2.88Å; S963-I970 PolarHBondContact OG-O 3.45Å; I970-K989 HydrophobicContact CG2-CB 4.04Å; I970-K989 HydrophobicContact CG2-CD 4.48Å; I970-A990 WeakPolarHBondContact CA-O 3.43Å
971	K	84.2	Confident	68.6	Low	70 Å²	70	84.3 Å²	84.3	30%	0.304	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.6	166	58.1	175.5	-176.7	-179.1	0	109.8	W959 T960 K989 A990 C992	W959-K971 HydrophobicContact CB-CD 4.19Å; W959-K971 HydrophobicContact CD2-CD 3.96Å; W959-K971 HydrophobicContact CD2-CG 4.19Å; W959-K971 HydrophobicContact CE3-CB 3.97Å; W959-K971 HydrophobicContact CE3-CD 3.91Å; W959-K971 HydrophobicContact CE3-CG 3.59Å; W959-K971 HydrophobicContact CG-CD 4.11Å; W959-K971 HydrophobicContact CZ3-CG 4.02Å; W959-K971 VanDerWaalsContact CZ3-O 3.25Å; W959-K971 WeakPolarHBondContact CZ3-O 3.41Å; T960-K971 WeakPolarHBondContact O-CB 3.29Å; K971-K989 WeakPolarHBondContact O-CA 3.45Å; K971-A990 HydrophobicContact CG-CB 4.33Å; K971-A990 PolarHBondContact N-O 2.02Å; K971-A990 PolarHBondContact O-N 3.49Å; K971-C992 HydrophobicContact CD-CB 4.43Å; K971-C992 HydrophobicContact CG-CB 4.31Å
972	S	79.7	Confident	67.1	Low	32 Å²	32	84.2 Å²	84.2	22%	0.224	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.9	-179.1	-52	0	0	0	0	111.9	T960 E988	T960-S972 WeakPolarHBondContact CG2-O 3.36Å; T960-S972 PolarHBondContact N-O 3.16Å; T960-S972 PolarHBondContact OG1-N 3.27Å; T960-S972 PolarHBondContact OG1-O 3.1Å; S972-E988 CarbonylContact C-O 3.26Å; S972-E988 WeakPolarHBondContact CA-O 3.16Å
973	R	74.6	Confident	65.9	Low	68 Å²	68	84.2 Å²	84.2	26%	0.257	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.2	168.4	62.3	173.5	176.9	-168.2	-2.7	111.2	W956 W959 V987 E988	W956-R973 HydrophobicContact CE3-CG 3.79Å; W956-R973 HydrophobicContact CZ3-CG 4.14Å; W959-R973 HydrophobicContact CD2-CB 3.99Å; W959-R973 HydrophobicContact CD2-CG 3.8Å; W959-R973 VanDerWaalsContact CE2-CD 3.41Å; W959-R973 HydrophobicContact CE3-CB 4.03Å; W959-R973 HydrophobicContact CE3-CG 3.9Å; W959-R973 HydrophobicContact CG-CB 4.3Å; W959-R973 HydrophobicContact CG-CG 4.45Å; W959-R973 HydrophobicContact CH2-CG 3.96Å; W959-R973 HydrophobicContact CZ2-CG 3.85Å; W959-R973 VanDerWaalsContact CZ2-NE 3.28Å; W959-R973 HydrophobicContact CZ3-CB 4.49Å; W959-R973 HydrophobicContact CZ3-CG 3.97Å; R973-V987 WeakPolarHBondContact O-CA 3.35Å; R973-E988 HydrophobicContact CG-CB 4.13Å; R973-E988 IonicContact CZ-OE2 3.76Å; R973-E988 PolarHBondContact N-O 2.87Å; R973-E988 IonicContact NE-OE2 2.72Å; R973-E988 PolarHBondContact NE-OE2 3.35Å; R973-E988 IonicContact NH2-OE1 2.63Å; R973-E988 IonicContact NH2-OE2 3.05Å; R973-E988 PolarHBondContact NH2-OE2 3.09Å; R973-E988 PolarHBondContact O-N 3.25Å
974	R	72.2	Confident	64.6	Low	141 Å²	141	83.6 Å²	83.6	53%	0.532	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.9	-177.5	-174.4	-179.3	-73.5	-104.9	4.4	110.7	T957 Y986 V987	T957-R974 WeakPolarHBondContact CB-O 3.43Å; T957-R974 VanDerWaalsContact CG2-O 3.32Å; T957-R974 WeakPolarHBondContact CG2-O 3.45Å; T957-R974 PolarHBondContact N-O 2.98Å; T957-R974 PolarHBondContact OG1-N 3.05Å; T957-R974 PolarHBondContact OG1-O 3.09Å; R974-Y986 CarbonylContact C-O 3.57Å; R974-Y986 VanDerWaalsContact CA-O 3.29Å; R974-Y986 WeakPolarHBondContact CA-O 3.45Å; R974-V987 HydrophobicContact CB-CG2 4.37Å; R974-V987 HydrophobicContact CG-CG2 4.09Å
975	K	65.9	Low	64.2	Low	45 Å²	45	84.5 Å²	84.5	20%	0.196	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.9	172.1	-148.3	-176.7	-164.6	-169.1	0	108.9	N954 S955 W956 Y986	N954-K975 HydrophobicContact CB-CD 3.59Å; N954-K975 HydrophobicContact CB-CG 3.92Å; N954-K975 VanDerWaalsContact O-CE 3.23Å; N954-K975 WeakPolarHBondContact O-CE 3.06Å; S955-K975 WeakPolarHBondContact O-CG 3.3Å; W956-K975 HydrophobicContact CD2-CB 4.1Å; W956-K975 HydrophobicContact CD2-CG 3.97Å; W956-K975 HydrophobicContact CE3-CB 3.92Å; W956-K975 HydrophobicContact CE3-CG 4.32Å; W956-K975 HydrophobicContact CG-CG 4.29Å; W956-K975 HydrophobicContact CH2-CB 4.32Å; W956-K975 HydrophobicContact CZ2-CB 4.48Å; W956-K975 HydrophobicContact CZ2-CD 4.19Å; W956-K975 HydrophobicContact CZ2-CG 4.43Å; W956-K975 HydrophobicContact CZ3-CB 4.04Å; K975-Y986 HydrophobicContact CD-CD2 3.9Å; K975-Y986 PolarHBondContact N-O 3.08Å
976	Q	62.6	Low	64	Low	138 Å²	138	83.5 Å²	83.5	65%	0.645	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	128	-175.6	-152.6	164.2	5.5	0	0	109.8	S955	S955-Q976 PolarHBondContact O-N 3.35Å; S955-Q976 VanDerWaalsContact O-N 3.09Å
977	C	60.5	Low	64.2	Low	46 Å²	46	83.6 Å²	83.6	31%	0.311	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.2	-179.9	-74.3	0	0	0	0	111	C983	C977-C983 VanDerWaalsContact CA-SG 3.52Å; C977-C983 HydrophobicContact CB-CB 3.55Å; C977-C983 WeakPolarHBondContact CB-SG 3.41Å; C977-C983 WeakPolarHBondContact SG-CB 3.31Å; C977-C983 PolarHBondContact SG-O 3.42Å; C977-C983 VanDerWaalsContact SG-O 3.34Å; C977-C983 CovalentContact SG-SG 2.04Å; C977-C983 PolarHBondContact SG-SG 3.04Å
978	G	55.9	Low	65.2	Low	53 Å²	53	86.1 Å²	86.1	55%	0.546	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-64.3	168.5	160.9	0	0	0	0	0	111.3	Q980	G978-Q980 PolarHBondContact O-N 2.84Å
979	S	54.8	Low	65.6	Low	135 Å²	135	85.4 Å²	85.4	94%	0.944	46%	0.461	S	S	*	.	S	Bend	trans	-67.8	23.9	-172.9	57.1	0	0	0	0	116
980	Q	52.4	Low	65.7	Low	146 Å²	146	86.4 Å²	86.4	68%	0.682	47%	0.47	S	S	*	.			trans	-93.3	130	173.4	-70.3	-170.1	-7.1	0	0	110.9	G978 N982 C983	G978-Q980 PolarHBondContact O-N 2.84Å; Q980-N982 PolarHBondContact O-N 3.36Å; Q980-C983 PolarHBondContact O-N 2.9Å
981	S	53.4	Low	65.4	Low	129 Å²	129	86.3 Å²	86.3	90%	0.902	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-3.4	-167.7	-130.1	0	0	0	0	116.2
982	N	49.5	Very low	65.1	Low	109 Å²	109	83.8 Å²	83.8	58%	0.583	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	21.1	-175.8	-81.7	-8.6	0	0	0	114.1	Q980	Q980-N982 PolarHBondContact O-N 3.36Å
983	C	54.7	Low	64.3	Low	41 Å²	41	85.8 Å²	85.8	28%	0.277	47%	0.474	S	S	.	.			trans	-93.1	131.8	176.5	175.1	0	0	0	0	112.7	N954 C977 Q980	N954-C983 PolarHBondContact OD1-SG 2.85Å; C977-C983 VanDerWaalsContact CA-SG 3.52Å; C977-C983 HydrophobicContact CB-CB 3.55Å; C977-C983 WeakPolarHBondContact CB-SG 3.41Å; C977-C983 WeakPolarHBondContact SG-CB 3.31Å; C977-C983 PolarHBondContact SG-O 3.42Å; C977-C983 VanDerWaalsContact SG-O 3.34Å; C977-C983 CovalentContact SG-SG 2.04Å; C977-C983 PolarHBondContact SG-SG 3.04Å; Q980-C983 PolarHBondContact O-N 2.9Å
984	V	54.6	Low	63.4	Low	79 Å²	79	88.4 Å²	88.4	48%	0.479	49%	0.492	S	S	.	.			trans	-97.3	123.6	177	-177.7	0	0	0	0	110.3	Y986	V984-Y986 HydrophobicContact CB-CE2 4.38Å; V984-Y986 WeakPolarHBondContact O-CD2 3.44Å; V984-Y986 VanDerWaalsContact O-CE2 3.31Å; V984-Y986 WeakPolarHBondContact O-CE2 3.39Å; V984-Y986 PolarHBondContact O-N 2.8Å
985	A	58.7	Low	62.3	Low	48 Å²	48	84 Å²	84	40%	0.397	49%	0.491	S	S	.	.			trans	-75.5	114.7	176.1	0	0	0	0	0	110.9
986	Y	62.7	Low	61.4	Low	125 Å²	125	90.8 Å²	90.8	49%	0.49	52%	0.523	S	S	.	.			trans	-87.7	143.8	175.9	-65.2	-87.5	0	0	0	111.1	R974 K975 V984	R974-Y986 CarbonylContact C-O 3.57Å; R974-Y986 VanDerWaalsContact CA-O 3.29Å; R974-Y986 WeakPolarHBondContact CA-O 3.45Å; K975-Y986 HydrophobicContact CD-CD2 3.9Å; K975-Y986 PolarHBondContact N-O 3.08Å; V984-Y986 HydrophobicContact CB-CE2 4.38Å; V984-Y986 WeakPolarHBondContact O-CD2 3.44Å; V984-Y986 VanDerWaalsContact O-CE2 3.31Å; V984-Y986 WeakPolarHBondContact O-CE2 3.39Å; V984-Y986 PolarHBondContact O-N 2.8Å
987	V	73.8	Confident	60.7	Low	75 Å²	75	86 Å²	86	46%	0.455	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.2	171.7	178.8	0	0	0	0	108.4	R973 R974	R973-V987 WeakPolarHBondContact O-CA 3.35Å; R974-V987 HydrophobicContact CB-CG2 4.37Å; R974-V987 HydrophobicContact CG-CG2 4.09Å
988	E	74.1	Confident	60.1	Low	72 Å²	72	93.5 Å²	93.5	34%	0.336	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.4	176.7	-165	-174.6	172.9	0	0	109.1	W956 W959 S972 R973	W956-E988 HydrophobicContact CH2-CB 3.88Å; W956-E988 HydrophobicContact CZ3-CB 3.81Å; W959-E988 HydrophobicContact CH2-CB 4.09Å; W959-E988 HydrophobicContact CH2-CG 3.82Å; W959-E988 HydrophobicContact CZ2-CG 4.45Å; W959-E988 WeakPolarHBondContact CZ3-O 3.28Å; S972-E988 CarbonylContact C-O 3.26Å; S972-E988 WeakPolarHBondContact CA-O 3.16Å; R973-E988 HydrophobicContact CG-CB 4.13Å; R973-E988 IonicContact CZ-OE2 3.76Å; R973-E988 PolarHBondContact N-O 2.87Å; R973-E988 IonicContact NE-OE2 2.72Å; R973-E988 PolarHBondContact NE-OE2 3.35Å; R973-E988 IonicContact NH2-OE1 2.63Å; R973-E988 IonicContact NH2-OE2 3.05Å; R973-E988 PolarHBondContact NH2-OE2 3.09Å; R973-E988 PolarHBondContact O-N 3.25Å
989	K	77.7	Confident	59.5	Low	151 Å²	151	94.2 Å²	94.2	66%	0.657	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.3	175.9	-61.3	-171.3	177.8	179.3	0	109	I970 K971	I970-K989 HydrophobicContact CG2-CB 4.04Å; I970-K989 HydrophobicContact CG2-CD 4.48Å; K971-K989 WeakPolarHBondContact O-CA 3.45Å
990	A	78.3	Confident	59.1	Low	23 Å²	23	93.9 Å²	93.9	19%	0.19	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.6	177.5	0	0	0	0	0	111.1	W959 I970 K971	W959-A990 HydrophobicContact CH2-CB 3.67Å; W959-A990 HydrophobicContact CZ2-CB 4.42Å; W959-A990 HydrophobicContact CZ3-CB 3.94Å; I970-A990 WeakPolarHBondContact CA-O 3.43Å; K971-A990 HydrophobicContact CG-CB 4.33Å; K971-A990 PolarHBondContact N-O 2.02Å; K971-A990 PolarHBondContact O-N 3.49Å
991	P	73.1	Confident	59	Low	87 Å²	87	93.2 Å²	93.2	57%	0.565	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	145.9	173.1	27.2	-32.5	0	0	0	111.2	G969 L994	G969-P991 CarbonylContact O-C 3.24Å; G969-P991 WeakPolarHBondContact O-CA 3.43Å; P991-L994 HydrophobicContact CB-CD2 4.28Å
992	C	77.3	Confident	59.1	Low	16 Å²	16	92.3 Å²	92.3	11%	0.108	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.8	176.7	49.8	0	0	0	0	110.7	C962 G969 K971	C962-C992 VanDerWaalsContact CA-SG 3.55Å; C962-C992 HydrophobicContact CB-CB 4.06Å; C962-C992 WeakPolarHBondContact CB-SG 3.34Å; C962-C992 WeakPolarHBondContact SG-CB 3.5Å; C962-C992 CovalentContact SG-SG 2.04Å; C962-C992 PolarHBondContact SG-SG 3.35Å; G969-C992 PolarHBondContact N-O 3.05Å; G969-C992 PolarHBondContact O-N 2.88Å; K971-C992 HydrophobicContact CD-CB 4.43Å; K971-C992 HydrophobicContact CG-CB 4.31Å
993	N	63.2	Low	60	Low	74 Å²	74	90.8 Å²	90.8	40%	0.396	50%	0.498	S	S	.	.			trans	60.7	42.8	-178.5	-63.3	-17.4	0	0	0	115.1	C962 A964 G967 G995	C962-N993 PolarHBondContact SG-ND2 3.23Å; A964-N993 PolarHBondContact O-ND2 3.46Å; G967-N993 CarbonylContact C-O 3.16Å; G967-N993 WeakPolarHBondContact CA-O 3.24Å; G967-N993 CarbonylContact O-C 3.58Å; G967-N993 WeakPolarHBondContact O-CB 3.33Å; N993-G995 PolarHBondContact O-N 3.42Å
994	L	56.2	Low	60.8	Low	123 Å²	123	92 Å²	92	64%	0.644	50%	0.499	S	S	*	.			trans	-63.4	11.9	175.7	-63.2	166.7	0	0	0	115.2	E968 P991	E968-L994 HydrophobicContact CG-CD2 4.42Å; P991-L994 HydrophobicContact CB-CD2 4.28Å
995	G	48.9	Very low	61.6	Low	50 Å²	50	89.7 Å²	89.7	52%	0.515	48%	0.484	S	S	.	.	S	Bend	trans	-88.4	136.8	174.3	0	0	0	0	0	110.5	N993 C997	N993-G995 PolarHBondContact O-N 3.42Å; G995-C997 PolarHBondContact O-N 3.4Å
996	E	47.8	Very low	62.8	Low	186 Å²	186	88.6 Å²	88.6	87%	0.869	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-57	124.9	174.8	-63.4	-177.4	167.9	0	0	110.7	K998	E996-K998 PolarHBondContact O-N 3.44Å
997	C	48.3	Very low	63.7	Low	38 Å²	38	90 Å²	90	26%	0.257	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-64.9	116.7	164.6	-57.7	0	0	0	0	106.5	C966 G967 G995 L999	C966-C997 HydrophobicContact CB-CB 4.24Å; C966-C997 WeakPolarHBondContact CB-SG 3.46Å; C966-C997 WeakPolarHBondContact SG-CB 3.39Å; C966-C997 CovalentContact SG-SG 2.07Å; C966-C997 PolarHBondContact SG-SG 3.05Å; G967-C997 PolarHBondContact N-SG 3.14Å; G995-C997 PolarHBondContact O-N 3.4Å; C997-L999 HydrophobicContact CB-CD1 3.76Å; C997-L999 HydrophobicContact CB-CG 3.71Å; C997-L999 PolarHBondContact O-N 3.15Å
998	K	47.2	Very low	64.2	Low	204 Å²	204	89.8 Å²	89.8	89%	0.887	48%	0.48	S	S	*	.			trans	-69.5	79.6	176.9	-65	-177.5	-179.7	-178.3	0	109.5	E996	E996-K998 PolarHBondContact O-N 3.44Å
999	L	44.2	Very low	65	Low	67 Å²	67	91.1 Å²	91.1	35%	0.351	49%	0.487	S	S	.	.			trans	-94	-8.5	-167.3	-81.4	168.8	0	0	0	115.4	C997 Y1036	C997-L999 HydrophobicContact CB-CD1 3.76Å; C997-L999 HydrophobicContact CB-CG 3.71Å; C997-L999 PolarHBondContact O-N 3.15Å; L999-Y1036 HydrophobicContact CD2-CD1 3.72Å; L999-Y1036 HydrophobicContact CD2-CE1 3.96Å; L999-Y1036 HydrophobicContact CD2-CG 4.35Å
1000	L	44.8	Very low	65.5	Low	128 Å²	128	89.4 Å²	89.4	67%	0.67	49%	0.493	S	S	*	.			trans	-127.4	86.4	-169.8	-74	155.9	0	0	0	111.3
1001	Q	50	Low	65.9	Low	133 Å²	133	91.2 Å²	91.2	62%	0.621	50%	0.495	S	S	*	.			trans	-105	126.7	156.3	-77.6	-173.9	-32.8	0	0	108.5	S1003 F1004	Q1001-S1003 PolarHBondContact O-N 3.27Å; Q1001-F1004 HydrophobicContact CB-CD2 4.06Å; Q1001-F1004 HydrophobicContact CB-CE2 3.86Å; Q1001-F1004 WeakPolarHBondContact O-CD2 3.42Å; Q1001-F1004 PolarHBondContact O-N 2.88Å
1002	S	57.1	Low	66.5	Low	110 Å²	110	89.4 Å²	89.4	77%	0.769	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-57.3	-15.2	-177.9	59	0	0	0	0	114.3	F1004	S1002-F1004 PolarHBondContact O-N 2.86Å
1003	S	67.7	Low	66.8	Low	76 Å²	76	95.8 Å²	95.8	53%	0.531	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14.6	177.5	47.7	0	0	0	0	115.1	Q1001	Q1001-S1003 PolarHBondContact O-N 3.27Å
1004	F	70.4	Confident	67.8	Low	67 Å²	67	94.3 Å²	94.3	29%	0.294	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-94.6	3.1	-176.8	-60.4	-60.5	0	0	0	114.3	Q1001 S1002 L1030	Q1001-F1004 HydrophobicContact CB-CD2 4.06Å; Q1001-F1004 HydrophobicContact CB-CE2 3.86Å; Q1001-F1004 WeakPolarHBondContact O-CD2 3.42Å; Q1001-F1004 PolarHBondContact O-N 2.88Å; S1002-F1004 PolarHBondContact O-N 2.86Å; F1004-L1030 PolarHBondContact O-N 2.9Å
1005	L	73.2	Confident	69.1	Low	31 Å²	31	92.8 Å²	92.8	16%	0.162	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-114	134.2	-176.8	-67.2	156.8	0	0	0	109.2	C1037 L1042	L1005-C1037 HydrophobicContact CD2-CB 4.38Å; L1005-L1042 HydrophobicContact CD2-CD2 3.86Å
1006	S	82.5	Confident	70	Confident	25 Å²	25	91.8 Å²	91.8	18%	0.175	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-69.4	166.6	173.2	80.5	0	0	0	0	111	D1028	S1006-D1028 WeakPolarHBondContact CB-O 3.23Å; S1006-D1028 PolarHBondContact N-O 2.78Å; S1006-D1028 PolarHBondContact OG-N 2.02Å; S1006-D1028 PolarHBondContact OG-O 3.32Å
1007	D	83.3	Confident	71.2	Confident	153 Å²	153	88.3 Å²	88.3	82%	0.818	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-59.7	148.4	164.3	-67.7	-43.4	0	0	0	110.2
1008	W	84.2	Confident	72.2	Confident	72 Å²	72	89 Å²	89	27%	0.273	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-66.9	138.1	178	-71.9	101.6	0	0	0	111.4	R1025 R1027 L1042 E1044	W1008-R1025 HydrophobicContact CB-CG 4.48Å; W1008-R1025 HydrophobicContact CD2-CG 4.17Å; W1008-R1025 HydrophobicContact CE3-CB 4.39Å; W1008-R1025 HydrophobicContact CE3-CG 3.7Å; W1008-R1025 HydrophobicContact CZ3-CG 4.29Å; W1008-R1025 VanDerWaalsContact CZ3-O 3.28Å; W1008-R1025 WeakPolarHBondContact CZ3-O 3.46Å; W1008-R1027 HydrophobicContact CD2-CB 3.96Å; W1008-R1027 HydrophobicContact CD2-CG 4.03Å; W1008-R1027 HydrophobicContact CE3-CB 3.7Å; W1008-R1027 HydrophobicContact CE3-CG 3.8Å; W1008-R1027 HydrophobicContact CG-CB 4.43Å; W1008-R1027 HydrophobicContact CH2-CG 3.86Å; W1008-R1027 HydrophobicContact CZ2-CG 4.1Å; W1008-R1027 VanDerWaalsContact CZ2-CZ 3.44Å; W1008-R1027 VanDerWaalsContact CZ2-NE 3.31Å; W1008-R1027 HydrophobicContact CZ3-CB 4.08Å; W1008-R1027 HydrophobicContact CZ3-CG 3.71Å; W1008-L1042 WeakPolarHBondContact CZ3-O 3.49Å; W1008-E1044 HydrophobicContact CE3-CB 4.39Å; W1008-E1044 HydrophobicContact CH2-CB 3.59Å; W1008-E1044 HydrophobicContact CZ2-CB 4.03Å; W1008-E1044 HydrophobicContact CZ3-CB 3.78Å
1009	Q	90.3	Very high	72.5	Confident	100 Å²	100	80.2 Å²	80.2	47%	0.467	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-63.3	168.7	166.7	-64.7	175.5	4.2	0	0	111	R1025 I1026	Q1009-R1025 WeakPolarHBondContact O-CB 3.38Å; Q1009-I1026 WeakPolarHBondContact CB-O 3.37Å; Q1009-I1026 WeakPolarHBondContact CG-O 3.42Å; Q1009-I1026 PolarHBondContact N-O 2.8Å
1010	S	87.6	Confident	73.2	Confident	114 Å²	114	82.5 Å²	82.5	80%	0.797	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-63.6	146.2	173.1	-63.2	0	0	0	0	110.7
1011	W	87.1	Confident	74.8	Confident	62 Å²	62	76.4 Å²	76.4	24%	0.235	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-61.8	139.4	173.1	-72.2	100.6	0	0	0	110.9	R1023 Q1024 R1025 E1044 Q1046	W1011-R1023 HydrophobicContact CD2-CG 4.23Å; W1011-R1023 HydrophobicContact CE3-CB 4.17Å; W1011-R1023 HydrophobicContact CE3-CG 3.68Å; W1011-R1023 HydrophobicContact CZ3-CG 4.24Å; W1011-R1023 VanDerWaalsContact CZ3-O 3.24Å; W1011-R1023 WeakPolarHBondContact CZ3-O 3.05Å; W1011-Q1024 VanDerWaalsContact CE3-C 3.42Å; W1011-R1025 HydrophobicContact CD2-CB 3.95Å; W1011-R1025 HydrophobicContact CD2-CG 3.83Å; W1011-R1025 HydrophobicContact CE3-CB 3.9Å; W1011-R1025 HydrophobicContact CE3-CG 3.83Å; W1011-R1025 HydrophobicContact CG-CB 4.34Å; W1011-R1025 HydrophobicContact CH2-CG 3.79Å; W1011-R1025 HydrophobicContact CZ2-CG 3.8Å; W1011-R1025 HydrophobicContact CZ3-CB 4.3Å; W1011-R1025 HydrophobicContact CZ3-CG 3.8Å; W1011-E1044 HydrophobicContact CH2-CB 4.18Å; W1011-E1044 HydrophobicContact CH2-CG 3.83Å; W1011-E1044 HydrophobicContact CZ2-CG 4.5Å; W1011-E1044 VanDerWaalsContact CZ3-O 3.3Å; W1011-E1044 WeakPolarHBondContact CZ3-O 3.5Å; W1011-Q1046 HydrophobicContact CE3-CB 4.44Å; W1011-Q1046 HydrophobicContact CH2-CB 3.43Å; W1011-Q1046 VanDerWaalsContact CH2-CB 3.43Å; W1011-Q1046 HydrophobicContact CZ2-CB 4.11Å; W1011-Q1046 HydrophobicContact CZ3-CB 3.62Å
1012	S	85.2	Confident	76.2	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-62	163.1	168	74.4	0	0	0	0	111.3	R1023 Q1024	S1012-R1023 VanDerWaalsContact O-CB 3.29Å; S1012-R1023 WeakPolarHBondContact O-CB 3.31Å; S1012-R1023 WeakPolarHBondContact OG-CA 3.45Å; S1012-Q1024 WeakPolarHBondContact CB-O 2.99Å; S1012-Q1024 PolarHBondContact N-O 3.39Å; S1012-Q1024 PolarHBondContact OG-N 3.32Å; S1012-Q1024 PolarHBondContact OG-O 2.94Å
1013	D	84.5	Confident	77.5	Confident	150 Å²	150	73.7 Å²	73.7	80%	0.802	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-58.1	154.8	164.3	-67.7	-43.8	0	0	0	110.8	S1015	D1013-S1015 PolarHBondContact O-N 3.26Å
1014	C	83.8	Confident	78.4	Confident	42 Å²	42	74.7 Å²	74.7	28%	0.284	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-66.4	129.5	177.7	-168.7	0	0	0	0	109.6	A1016 C1048	C1014-A1016 PolarHBondContact O-N 3.35Å; C1014-A1016 VanDerWaalsContact O-N 3.1Å; C1014-C1048 WeakPolarHBondContact CA-SG 3.28Å; C1014-C1048 HydrophobicContact CB-CB 3.96Å; C1014-C1048 WeakPolarHBondContact CB-SG 3.46Å; C1014-C1048 WeakPolarHBondContact SG-CB 3.38Å; C1014-C1048 CovalentContact SG-SG 2.03Å; C1014-C1048 PolarHBondContact SG-SG 3.06Å
1015	S	83.3	Confident	79.1	Confident	92 Å²	92	74.6 Å²	74.6	64%	0.643	41%	0.413	S	S	*	.	S	Bend	trans	-65.8	-13.1	-177.3	71.3	0	0	0	0	114.4	D1013 H1022	D1013-S1015 PolarHBondContact O-N 3.26Å; S1015-H1022 VanDerWaalsContact CB-O 3.26Å; S1015-H1022 WeakPolarHBondContact CB-O 3.42Å; S1015-H1022 PolarHBondContact N-O 3.07Å; S1015-H1022 PolarHBondContact OG-N 2.68Å; S1015-H1022 PolarHBondContact OG-O 2.92Å
1016	A	68	Low	79.7	Confident	28 Å²	28	76.1 Å²	76.1	23%	0.231	42%	0.42	C	S	.	.			trans	-124.9	141.1	-179.9	0	0	0	0	0	110.5	C1014 G1021 V1050	C1014-A1016 PolarHBondContact O-N 3.35Å; C1014-A1016 VanDerWaalsContact O-N 3.1Å; A1016-G1021 VanDerWaalsContact CB-CA 3.46Å; A1016-V1050 VanDerWaalsContact O-CG2 3.26Å; A1016-V1050 WeakPolarHBondContact O-CG2 2.98Å
1017	S	72.6	Confident	79.8	Confident	114 Å²	114	76.5 Å²	76.5	80%	0.797	42%	0.418	S	S	*	.	S	Bend	trans	-96	-6.5	178.1	53.9	0	0	0	0	113.9	V1050	S1017-V1050 VanDerWaalsContact C-CG1 3.49Å; S1017-V1050 WeakPolarHBondContact O-CG1 3.02Å
1018	C	69.8	Low	79.7	Confident	51 Å²	51	73.4 Å²	73.4	35%	0.345	40%	0.401	S	S	.	.	S	Bend	trans	-152	152	167	71.1	0	0	0	0	108.4	T1051 C1053	C1018-T1051 CarbonylContact C-O 3.53Å; C1018-T1051 WeakPolarHBondContact CA-O 3.35Å; C1018-T1051 WeakPolarHBondContact CB-O 3.47Å; C1018-C1053 HydrophobicContact CB-CB 4.14Å; C1018-C1053 WeakPolarHBondContact CB-SG 3.31Å; C1018-C1053 PolarHBondContact O-SG 3.29Å; C1018-C1053 WeakPolarHBondContact SG-CB 3.31Å; C1018-C1053 CovalentContact SG-SG 2.06Å; C1018-C1053 PolarHBondContact SG-SG 2.97Å
1019	G	53.6	Low	79.6	Confident	21 Å²	21	71.9 Å²	71.9	22%	0.216	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.1	-158.2	-175	0	0	0	0	0	113.8	G1021 V1050 T1051	G1019-G1021 PolarHBondContact O-N 2.79Å; G1019-V1050 WeakPolarHBondContact CA-O 3.42Å; G1019-V1050 PolarHBondContact N-O 3.18Å; G1019-V1050 WeakPolarHBondContact O-CA 3.27Å; G1019-V1050 WeakPolarHBondContact O-CB 3.05Å; G1019-V1050 PolarHBondContact O-N 2.9Å; G1019-T1051 PolarHBondContact N-O 3.41Å
1020	I	58.9	Low	79.2	Confident	114 Å²	114	72.6 Å²	72.6	59%	0.585	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	118	-177.5	-52.2	179	0	0	0	109.2
1021	G	78.4	Confident	78.5	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	179.1	165.7	0	0	0	0	0	111.2	A1016 G1019 S1047 C1048	A1016-G1021 VanDerWaalsContact CB-CA 3.46Å; G1019-G1021 PolarHBondContact O-N 2.79Å; G1021-S1047 CarbonylContact O-C 3.45Å; G1021-S1047 WeakPolarHBondContact O-CA 3.24Å; G1021-C1048 PolarHBondContact N-O 2.82Å; G1021-C1048 PolarHBondContact O-N 2.8Å; G1021-C1048 VanDerWaalsContact O-O 3.14Å; G1021-C1048 PolarHBondContact O-SG 3.41Å; G1021-C1048 VanDerWaalsContact O-SG 3.34Å
1022	H	78.1	Confident	77.8	Confident	93 Å²	93	73.7 Å²	73.7	43%	0.431	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.3	170.5	-63.1	-75.4	0	0	0	109.7	S1015 V1045 Q1046 S1047 C1048	S1015-H1022 VanDerWaalsContact CB-O 3.26Å; S1015-H1022 WeakPolarHBondContact CB-O 3.42Å; S1015-H1022 PolarHBondContact N-O 3.07Å; S1015-H1022 PolarHBondContact OG-N 2.68Å; S1015-H1022 PolarHBondContact OG-O 2.92Å; H1022-V1045 HydrophobicContact CB-CG1 3.94Å; H1022-Q1046 CarbonylContact C-O 3.51Å; H1022-Q1046 WeakPolarHBondContact CA-O 3.44Å; H1022-S1047 PolarHBondContact CE1-OG 3.35Å; H1022-S1047 PolarHBondContact ND1-OG 2.03Å; H1022-C1048 VanDerWaalsContact C-SG 3.57Å
1023	R	85.5	Confident	76.9	Confident	92 Å²	92	75.4 Å²	75.4	35%	0.347	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.8	166.9	57.3	-179.5	-170.8	-178.7	-1.2	108.4	W1011 S1012 Q1046	W1011-R1023 HydrophobicContact CD2-CG 4.23Å; W1011-R1023 HydrophobicContact CE3-CB 4.17Å; W1011-R1023 HydrophobicContact CE3-CG 3.68Å; W1011-R1023 HydrophobicContact CZ3-CG 4.24Å; W1011-R1023 VanDerWaalsContact CZ3-O 3.24Å; W1011-R1023 WeakPolarHBondContact CZ3-O 3.05Å; S1012-R1023 VanDerWaalsContact O-CB 3.29Å; S1012-R1023 WeakPolarHBondContact O-CB 3.31Å; S1012-R1023 WeakPolarHBondContact OG-CA 3.45Å; R1023-Q1046 HydrophobicContact CG-CB 4.36Å; R1023-Q1046 PolarHBondContact N-O 3.19Å; R1023-Q1046 VanDerWaalsContact NE-OE1 3.09Å; R1023-Q1046 PolarHBondContact O-N 3.15Å
1024	Q	85.4	Confident	75.8	Confident	98 Å²	98	77.1 Å²	77.1	46%	0.458	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.3	-179.7	61.4	-175.5	-15.6	0	0	110.6	W1011 S1012 E1044 V1045	W1011-Q1024 VanDerWaalsContact CE3-C 3.42Å; S1012-Q1024 WeakPolarHBondContact CB-O 2.99Å; S1012-Q1024 PolarHBondContact N-O 3.39Å; S1012-Q1024 PolarHBondContact OG-N 3.32Å; S1012-Q1024 PolarHBondContact OG-O 2.94Å; Q1024-E1044 CarbonylContact C-O 3.54Å; Q1024-E1044 VanDerWaalsContact CA-O 3.23Å; Q1024-E1044 WeakPolarHBondContact CA-O 3.35Å; Q1024-V1045 HydrophobicContact CB-CG2 4.14Å
1025	R	85.4	Confident	74.7	Confident	65 Å²	65	78 Å²	78	25%	0.245	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.7	166.2	62.8	179.1	-178.2	-175.6	-5.9	109.1	W1008 Q1009 W1011 E1044	W1008-R1025 HydrophobicContact CB-CG 4.48Å; W1008-R1025 HydrophobicContact CD2-CG 4.17Å; W1008-R1025 HydrophobicContact CE3-CB 4.39Å; W1008-R1025 HydrophobicContact CE3-CG 3.7Å; W1008-R1025 HydrophobicContact CZ3-CG 4.29Å; W1008-R1025 VanDerWaalsContact CZ3-O 3.28Å; W1008-R1025 WeakPolarHBondContact CZ3-O 3.46Å; Q1009-R1025 WeakPolarHBondContact O-CB 3.38Å; W1011-R1025 HydrophobicContact CD2-CB 3.95Å; W1011-R1025 HydrophobicContact CD2-CG 3.83Å; W1011-R1025 HydrophobicContact CE3-CB 3.9Å; W1011-R1025 HydrophobicContact CE3-CG 3.83Å; W1011-R1025 HydrophobicContact CG-CB 4.34Å; W1011-R1025 HydrophobicContact CH2-CG 3.79Å; W1011-R1025 HydrophobicContact CZ2-CG 3.8Å; W1011-R1025 HydrophobicContact CZ3-CB 4.3Å; W1011-R1025 HydrophobicContact CZ3-CG 3.8Å; R1025-E1044 HydrophobicContact CG-CB 4.06Å; R1025-E1044 IonicContact CZ-OE2 3.13Å; R1025-E1044 PolarHBondContact N-O 3.29Å; R1025-E1044 IonicContact NE-OE2 2.77Å; R1025-E1044 PolarHBondContact NE-OE2 3.05Å; R1025-E1044 IonicContact NH2-OE1 2.68Å; R1025-E1044 PolarHBondContact NH2-OE1 3.27Å; R1025-E1044 IonicContact NH2-OE2 3.11Å; R1025-E1044 PolarHBondContact NH2-OE2 3.46Å; R1025-E1044 PolarHBondContact O-N 2.76Å
1026	I	86.8	Confident	73.9	Confident	63 Å²	63	77.8 Å²	77.8	32%	0.323	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.1	-173.5	-54.3	178.3	0	0	0	108	Q1009 L1042 V1043	Q1009-I1026 WeakPolarHBondContact CB-O 3.37Å; Q1009-I1026 WeakPolarHBondContact CG-O 3.42Å; Q1009-I1026 PolarHBondContact N-O 2.8Å; I1026-L1042 CarbonylContact C-O 3.59Å; I1026-L1042 VanDerWaalsContact CA-O 3.26Å; I1026-L1042 WeakPolarHBondContact CA-O 3.38Å; I1026-L1042 WeakPolarHBondContact CG2-O 3.37Å; I1026-V1043 HydrophobicContact CG1-CG1 4.35Å; I1026-V1043 HydrophobicContact CG1-CG2 4.17Å; I1026-V1043 HydrophobicContact CG2-CG2 4.3Å
1027	R	83.8	Confident	73.9	Confident	32 Å²	32	76.7 Å²	76.7	12%	0.121	40%	0.403	C	S	.	.			trans	-129.4	156.8	168.7	66	-179.5	173	-173.3	-3.2	109.5	W1008 E1041 L1042	W1008-R1027 HydrophobicContact CD2-CB 3.96Å; W1008-R1027 HydrophobicContact CD2-CG 4.03Å; W1008-R1027 HydrophobicContact CE3-CB 3.7Å; W1008-R1027 HydrophobicContact CE3-CG 3.8Å; W1008-R1027 HydrophobicContact CG-CB 4.43Å; W1008-R1027 HydrophobicContact CH2-CG 3.86Å; W1008-R1027 HydrophobicContact CZ2-CG 4.1Å; W1008-R1027 VanDerWaalsContact CZ2-CZ 3.44Å; W1008-R1027 VanDerWaalsContact CZ2-NE 3.31Å; W1008-R1027 HydrophobicContact CZ3-CB 4.08Å; W1008-R1027 HydrophobicContact CZ3-CG 3.71Å; R1027-E1041 PolarHBondContact NE-O 3.49Å; R1027-E1041 PolarHBondContact NH2-O 3.5Å; R1027-E1041 IonicContact NH2-OE2 2.76Å; R1027-E1041 PolarHBondContact NH2-OE2 2.89Å; R1027-L1042 HydrophobicContact CG-CD2 4.35Å; R1027-L1042 PolarHBondContact N-O 3.23Å; R1027-L1042 WeakPolarHBondContact O-CD2 3.4Å
1028	D	81.9	Confident	73.7	Confident	89 Å²	89	73.9 Å²	73.9	48%	0.476	38%	0.382	S	S	.	.			trans	-99	150.8	-177.4	-63.5	-51.8	0	0	0	111	S1006	S1006-D1028 WeakPolarHBondContact CB-O 3.23Å; S1006-D1028 PolarHBondContact N-O 2.78Å; S1006-D1028 PolarHBondContact OG-N 2.02Å; S1006-D1028 PolarHBondContact OG-O 3.32Å
1029	C	82	Confident	73.6	Confident	39 Å²	39	76.5 Å²	76.5	26%	0.264	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-82.1	122.3	170	-174.2	0	0	0	0	109.6	S1031 C1037 L1042	C1029-S1031 VanDerWaalsContact C-N 3.34Å; C1029-C1037 HydrophobicContact CB-CB 3.37Å; C1029-C1037 WeakPolarHBondContact CB-SG 3.37Å; C1029-C1037 WeakPolarHBondContact SG-CB 3.29Å; C1029-C1037 CovalentContact SG-SG 2.03Å; C1029-C1037 PolarHBondContact SG-SG 2.84Å; C1029-L1042 HydrophobicContact CB-CD2 4.24Å
1030	L	80.5	Confident	74.1	Confident	115 Å²	115	84 Å²	84	60%	0.602	43%	0.428	S	S	*	.			trans	-84.4	-10.4	177.3	-61.4	173.2	0	0	0	112.6	F1004	F1004-L1030 PolarHBondContact O-N 2.9Å
1031	S	74.7	Confident	74.7	Confident	26 Å²	26	83 Å²	83	18%	0.182	42%	0.421	C	S	.	.	S	Bend	trans	-84.4	139.2	175.7	-172.2	0	0	0	0	111.7	C1029 D1033	C1029-S1031 VanDerWaalsContact C-N 3.34Å; S1031-D1033 PolarHBondContact O-N 2.89Å; S1031-D1033 PolarHBondContact OG-N 3.01Å
1032	N	72.1	Confident	74.9	Confident	173 Å²	173	84.7 Å²	84.7	93%	0.925	43%	0.429	S	S	*	.	S	Bend	trans	-68.8	-20.9	174.7	-79.6	-29.1	0	0	0	113.3
1033	D	66.4	Low	75.1	Confident	85 Å²	85	83 Å²	83	46%	0.455	43%	0.426	S	S	.	.	S	Bend	trans	-99.7	108	179.2	-173.9	-4.1	0	0	0	109.5	S1031 A1035 Y1036	S1031-D1033 PolarHBondContact O-N 2.89Å; S1031-D1033 PolarHBondContact OG-N 3.01Å; D1033-A1035 PolarHBondContact O-N 2.96Å; D1033-A1035 PolarHBondContact OD1-N 3.27Å; D1033-Y1036 HydrophobicContact CB-CD2 3.7Å; D1033-Y1036 HydrophobicContact CB-CE2 3.71Å; D1033-Y1036 WeakPolarHBondContact O-CD2 3.15Å; D1033-Y1036 PolarHBondContact O-N 2.71Å; D1033-Y1036 VanDerWaalsContact O-N 3.16Å
1034	K	60.7	Low	75	Confident	186 Å²	186	81.7 Å²	81.7	81%	0.809	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-62.3	-14.5	-174.1	-67.8	-172.6	178.4	-175.3	0	113.3	Y1036 C1037	K1034-Y1036 PolarHBondContact O-N 3.23Å; K1034-C1037 PolarHBondContact O-N 3Å
1035	A	61.4	Low	74.8	Confident	60 Å²	60	81.3 Å²	81.3	50%	0.496	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.9	175.9	0	0	0	0	0	113.3	D1033	D1033-A1035 PolarHBondContact O-N 2.96Å; D1033-A1035 PolarHBondContact OD1-N 3.27Å
1036	Y	65.3	Low	74.5	Confident	88 Å²	88	82 Å²	82	35%	0.345	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-80.2	-16.5	-178.7	-67.4	-79.7	0	0	0	114.4	L999 D1033 K1034	L999-Y1036 HydrophobicContact CD2-CD1 3.72Å; L999-Y1036 HydrophobicContact CD2-CE1 3.96Å; L999-Y1036 HydrophobicContact CD2-CG 4.35Å; D1033-Y1036 HydrophobicContact CB-CD2 3.7Å; D1033-Y1036 HydrophobicContact CB-CE2 3.71Å; D1033-Y1036 WeakPolarHBondContact O-CD2 3.15Å; D1033-Y1036 PolarHBondContact O-N 2.71Å; D1033-Y1036 VanDerWaalsContact O-N 3.16Å; K1034-Y1036 PolarHBondContact O-N 3.23Å
1037	C	68.2	Low	73.8	Confident	6 Å²	6	82 Å²	82	4%	0.041	44%	0.439	C	S	.	.	S	Bend	trans	-125.5	84.6	-178.1	-56.5	0	0	0	0	109.7	L1005 C1029 K1034 L1042	L1005-C1037 HydrophobicContact CD2-CB 4.38Å; C1029-C1037 HydrophobicContact CB-CB 3.37Å; C1029-C1037 WeakPolarHBondContact CB-SG 3.37Å; C1029-C1037 WeakPolarHBondContact SG-CB 3.29Å; C1029-C1037 CovalentContact SG-SG 2.03Å; C1029-C1037 PolarHBondContact SG-SG 2.84Å; K1034-C1037 PolarHBondContact O-N 3Å; C1037-L1042 HydrophobicContact CB-CD2 4.13Å
1038	P	67.8	Low	73.4	Confident	55 Å²	55	81.3 Å²	81.3	36%	0.357	44%	0.439	S	S	.	.			trans	-57.7	141.5	177.4	20.3	-29	0	0	0	110.6	E1040 E1041	P1038-E1040 PolarHBondContact O-N 3.46Å; P1038-E1040 VanDerWaalsContact O-N 3.08Å; P1038-E1041 HydrophobicContact CG-CB 4.34Å; P1038-E1041 HydrophobicContact CG-CG 4.02Å; P1038-E1041 PolarHBondContact O-N 2.81Å
1039	P	69.5	Low	72.2	Confident	106 Å²	106	84.4 Å²	84.4	69%	0.688	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-56.4	-31.5	-172.5	-25.2	32.7	0	0	0	114.5	E1041 L1042	P1039-E1041 PolarHBondContact O-N 3.49Å; P1039-L1042 PolarHBondContact O-N 2.03Å; P1039-L1042 VanDerWaalsContact O-N 3.14Å
1040	E	63.7	Low	71	Confident	178 Å²	178	84.8 Å²	84.8	83%	0.832	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-65.4	-26.7	179.8	-60	179.1	-171.4	0	0	112.6	P1038 L1042	P1038-E1040 PolarHBondContact O-N 3.46Å; P1038-E1040 VanDerWaalsContact O-N 3.08Å; E1040-L1042 VanDerWaalsContact C-N 3.35Å
1041	E	70.6	Confident	69.7	Low	92 Å²	92	84.4 Å²	84.4	43%	0.43	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-84.9	-8	177.2	-74.9	-67.7	155.2	0	0	112.7	R1027 P1038 P1039	R1027-E1041 PolarHBondContact NE-O 3.49Å; R1027-E1041 PolarHBondContact NH2-O 3.5Å; R1027-E1041 IonicContact NH2-OE2 2.76Å; R1027-E1041 PolarHBondContact NH2-OE2 2.89Å; P1038-E1041 HydrophobicContact CG-CB 4.34Å; P1038-E1041 HydrophobicContact CG-CG 4.02Å; P1038-E1041 PolarHBondContact O-N 2.81Å; P1039-E1041 PolarHBondContact O-N 3.49Å
1042	L	82.6	Confident	68	Low	37 Å²	37	87.7 Å²	87.7	19%	0.194	48%	0.475	C	S	.	.	S	Bend	trans	-91.5	-12.7	-179	-61.4	178.6	0	0	0	112.8	L1005 W1008 I1026 R1027 C1029 C1037 P1039 E1040	L1005-L1042 HydrophobicContact CD2-CD2 3.86Å; W1008-L1042 WeakPolarHBondContact CZ3-O 3.49Å; I1026-L1042 CarbonylContact C-O 3.59Å; I1026-L1042 VanDerWaalsContact CA-O 3.26Å; I1026-L1042 WeakPolarHBondContact CA-O 3.38Å; I1026-L1042 WeakPolarHBondContact CG2-O 3.37Å; R1027-L1042 HydrophobicContact CG-CD2 4.35Å; R1027-L1042 PolarHBondContact N-O 3.23Å; R1027-L1042 WeakPolarHBondContact O-CD2 3.4Å; C1029-L1042 HydrophobicContact CB-CD2 4.24Å; C1037-L1042 HydrophobicContact CB-CD2 4.13Å; P1039-L1042 PolarHBondContact O-N 2.03Å; P1039-L1042 VanDerWaalsContact O-N 3.14Å; E1040-L1042 VanDerWaalsContact C-N 3.35Å
1043	V	83.3	Confident	66.9	Low	59 Å²	59	83.3 Å²	83.3	36%	0.358	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.4	-176.3	-176.5	0	0	0	0	109.9	I1026 V1045	I1026-V1043 HydrophobicContact CG1-CG1 4.35Å; I1026-V1043 HydrophobicContact CG1-CG2 4.17Å; I1026-V1043 HydrophobicContact CG2-CG2 4.3Å; V1043-V1045 HydrophobicContact CG1-CG2 4.24Å
1044	E	82.8	Confident	65.8	Low	64 Å²	64	86.9 Å²	86.9	30%	0.299	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.5	174.3	-168.1	-171.9	161.6	0	0	109.5	W1008 W1011 Q1024 R1025	W1008-E1044 HydrophobicContact CE3-CB 4.39Å; W1008-E1044 HydrophobicContact CH2-CB 3.59Å; W1008-E1044 HydrophobicContact CZ2-CB 4.03Å; W1008-E1044 HydrophobicContact CZ3-CB 3.78Å; W1011-E1044 HydrophobicContact CH2-CB 4.18Å; W1011-E1044 HydrophobicContact CH2-CG 3.83Å; W1011-E1044 HydrophobicContact CZ2-CG 4.5Å; W1011-E1044 VanDerWaalsContact CZ3-O 3.3Å; W1011-E1044 WeakPolarHBondContact CZ3-O 3.5Å; Q1024-E1044 CarbonylContact C-O 3.54Å; Q1024-E1044 VanDerWaalsContact CA-O 3.23Å; Q1024-E1044 WeakPolarHBondContact CA-O 3.35Å; R1025-E1044 HydrophobicContact CG-CB 4.06Å; R1025-E1044 IonicContact CZ-OE2 3.13Å; R1025-E1044 PolarHBondContact N-O 3.29Å; R1025-E1044 IonicContact NE-OE2 2.77Å; R1025-E1044 PolarHBondContact NE-OE2 3.05Å; R1025-E1044 IonicContact NH2-OE1 2.68Å; R1025-E1044 PolarHBondContact NH2-OE1 3.27Å; R1025-E1044 IonicContact NH2-OE2 3.11Å; R1025-E1044 PolarHBondContact NH2-OE2 3.46Å; R1025-E1044 PolarHBondContact O-N 2.76Å
1045	V	81.5	Confident	65.2	Low	90 Å²	90	81.2 Å²	81.2	55%	0.545	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.6	179.6	-175	0	0	0	0	109.1	H1022 Q1024 V1043	H1022-V1045 HydrophobicContact CB-CG1 3.94Å; Q1024-V1045 HydrophobicContact CB-CG2 4.14Å; V1043-V1045 HydrophobicContact CG1-CG2 4.24Å
1046	Q	78.5	Confident	64.4	Low	78 Å²	78	87.1 Å²	87.1	36%	0.364	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.8	179.2	-174.9	179.7	56.1	0	0	110.8	W1011 H1022 R1023	W1011-Q1046 HydrophobicContact CE3-CB 4.44Å; W1011-Q1046 HydrophobicContact CH2-CB 3.43Å; W1011-Q1046 VanDerWaalsContact CH2-CB 3.43Å; W1011-Q1046 HydrophobicContact CZ2-CB 4.11Å; W1011-Q1046 HydrophobicContact CZ3-CB 3.62Å; H1022-Q1046 CarbonylContact C-O 3.51Å; H1022-Q1046 WeakPolarHBondContact CA-O 3.44Å; R1023-Q1046 HydrophobicContact CG-CB 4.36Å; R1023-Q1046 PolarHBondContact N-O 3.19Å; R1023-Q1046 VanDerWaalsContact NE-OE1 3.09Å; R1023-Q1046 PolarHBondContact O-N 3.15Å
1047	S	72.7	Confident	64.1	Low	63 Å²	63	84 Å²	84	44%	0.441	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.8	172.6	-45.5	0	0	0	0	111.4	G1021 H1022	G1021-S1047 CarbonylContact O-C 3.45Å; G1021-S1047 WeakPolarHBondContact O-CA 3.24Å; H1022-S1047 PolarHBondContact CE1-OG 3.35Å; H1022-S1047 PolarHBondContact ND1-OG 2.03Å
1048	C	76.3	Confident	63.9	Low	18 Å²	18	88.2 Å²	88.2	12%	0.122	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.7	172.8	43.6	0	0	0	0	109.4	C1014 G1021 H1022	C1014-C1048 WeakPolarHBondContact CA-SG 3.28Å; C1014-C1048 HydrophobicContact CB-CB 3.96Å; C1014-C1048 WeakPolarHBondContact CB-SG 3.46Å; C1014-C1048 WeakPolarHBondContact SG-CB 3.38Å; C1014-C1048 CovalentContact SG-SG 2.03Å; C1014-C1048 PolarHBondContact SG-SG 3.06Å; G1021-C1048 PolarHBondContact N-O 2.82Å; G1021-C1048 PolarHBondContact O-N 2.8Å; G1021-C1048 VanDerWaalsContact O-O 3.14Å; G1021-C1048 PolarHBondContact O-SG 3.41Å; G1021-C1048 VanDerWaalsContact O-SG 3.34Å; H1022-C1048 VanDerWaalsContact C-SG 3.57Å
1049	H	56.2	Low	64.2	Low	155 Å²	155	88.3 Å²	88.3	72%	0.718	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.2	180	-63.1	99.4	0	0	0	109.3
1050	V	57.5	Low	64.6	Low	47 Å²	47	84.6 Å²	84.6	29%	0.285	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	156.9	168.5	-165.2	0	0	0	0	108.7	A1016 S1017 G1019	A1016-V1050 VanDerWaalsContact O-CG2 3.26Å; A1016-V1050 WeakPolarHBondContact O-CG2 2.98Å; S1017-V1050 VanDerWaalsContact C-CG1 3.49Å; S1017-V1050 WeakPolarHBondContact O-CG1 3.02Å; G1019-V1050 WeakPolarHBondContact CA-O 3.42Å; G1019-V1050 PolarHBondContact N-O 3.18Å; G1019-V1050 WeakPolarHBondContact O-CA 3.27Å; G1019-V1050 WeakPolarHBondContact O-CB 3.05Å; G1019-V1050 PolarHBondContact O-N 2.9Å
1051	T	52	Low	65.4	Low	106 Å²	106	84.3 Å²	84.3	65%	0.65	46%	0.461	S	S	*	.			trans	-49.4	146.3	-176.6	31.6	0	0	0	0	113	C1018 G1019 C1053	C1018-T1051 CarbonylContact C-O 3.53Å; C1018-T1051 WeakPolarHBondContact CA-O 3.35Å; C1018-T1051 WeakPolarHBondContact CB-O 3.47Å; G1019-T1051 PolarHBondContact N-O 3.41Å; T1051-C1053 PolarHBondContact O-N 3.13Å
1052	P	39.9	Very low	66	Low	95 Å²	95	83.2 Å²	83.2	62%	0.617	45%	0.453	S	S	*	.			trans	-59	134.9	-172	-9.4	16.1	0	0	0	112.1	L1054	P1052-L1054 HydrophobicContact CB-CD2 4.5Å; P1052-L1054 HydrophobicContact CB-CG 4.37Å; P1052-L1054 PolarHBondContact O-N 2.71Å
1053	C	49	Very low	66.1	Low	81 Å²	81	84.2 Å²	84.2	55%	0.547	46%	0.463	S	S	.	.			trans	-73.1	89.2	173.4	-50	0	0	0	0	109.1	C1018 T1051 S1055	C1018-C1053 HydrophobicContact CB-CB 4.14Å; C1018-C1053 WeakPolarHBondContact CB-SG 3.31Å; C1018-C1053 PolarHBondContact O-SG 3.29Å; C1018-C1053 WeakPolarHBondContact SG-CB 3.31Å; C1018-C1053 CovalentContact SG-SG 2.06Å; C1018-C1053 PolarHBondContact SG-SG 2.97Å; T1051-C1053 PolarHBondContact O-N 3.13Å; C1053-S1055 PolarHBondContact O-N 3.3Å
1054	L	43.2	Very low	66.4	Low	161 Å²	161	90.1 Å²	90.1	84%	0.843	49%	0.487	S	S	*	.			trans	-87.7	99.7	178.8	-66	173.1	0	0	0	110.6	P1052	P1052-L1054 HydrophobicContact CB-CD2 4.5Å; P1052-L1054 HydrophobicContact CB-CG 4.37Å; P1052-L1054 PolarHBondContact O-N 2.71Å
1055	S	47.3	Very low	66.4	Low	66 Å²	66	90.4 Å²	90.4	46%	0.462	49%	0.486	S	S	.	.			trans	-156.9	111.6	156.6	64	0	0	0	0	109.5	C1053	C1053-S1055 PolarHBondContact O-N 3.3Å
1056	E	45.6	Very low	66.6	Low	184 Å²	184	89.4 Å²	89.4	86%	0.86	48%	0.48	S	S	*	.			trans	-73.5	141.6	-174	-63.1	-174.7	161.1	0	0	112.8
1057	S	58.3	Low	66.8	Low	23 Å²	23	91.9 Å²	91.9	16%	0.161	50%	0.5	C	S	.	.			trans	-85.9	135.7	170.8	37.8	0	0	0	0	110.6	A1091	S1057-A1091 WeakPolarHBondContact CB-O 3.47Å; S1057-A1091 PolarHBondContact OG-O 2.94Å
1058	V	63.9	Low	67.2	Low	95 Å²	95	90 Å²	90	58%	0.576	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.5	-168.6	-175.7	0	0	0	0	110	I1084	V1058-I1084 WeakPolarHBondContact O-CB 3.41Å; V1058-I1084 PolarHBondContact O-N 3.26Å
1059	W	73.3	Confident	67.3	Low	56 Å²	56	93.3 Å²	93.3	21%	0.212	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.6	170.6	-75.7	107.7	0	0	0	111.1	R1081 C1083 C1093 N1094 G1095	W1059-R1081 HydrophobicContact CD2-CG 4.2Å; W1059-R1081 HydrophobicContact CE3-CB 4.42Å; W1059-R1081 HydrophobicContact CE3-CG 3.62Å; W1059-R1081 HydrophobicContact CZ3-CG 4.09Å; W1059-C1083 HydrophobicContact CE3-CB 4.27Å; W1059-C1083 HydrophobicContact CZ3-CB 4.06Å; W1059-C1093 HydrophobicContact CD2-CB 3.73Å; W1059-C1093 HydrophobicContact CE3-CB 4.15Å; W1059-C1093 HydrophobicContact CG-CB 4.3Å; W1059-C1093 HydrophobicContact CH2-CB 3.84Å; W1059-C1093 HydrophobicContact CZ2-CB 3.36Å; W1059-C1093 WeakPolarHBondContact CZ2-O 3.45Å; W1059-C1093 HydrophobicContact CZ3-CB 4.21Å; W1059-N1094 PolarHBondContact NE1-O 3.46Å; W1059-G1095 WeakPolarHBondContact CH2-O 3.34Å; W1059-G1095 WeakPolarHBondContact CZ2-O 3.13Å
1060	S	78.9	Confident	67.8	Low	29 Å²	29	87.3 Å²	87.3	20%	0.203	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-62.2	163	164.7	78.6	0	0	0	0	110.9	S1082	S1060-S1082 VanDerWaalsContact CB-O 3.27Å; S1060-S1082 WeakPolarHBondContact CB-O 3.45Å; S1060-S1082 PolarHBondContact N-O 3.23Å; S1060-S1082 PolarHBondContact OG-N 3.32Å; S1060-S1082 PolarHBondContact OG-O 3.4Å
1061	E	79.8	Confident	68.6	Low	171 Å²	171	92.2 Å²	92.2	80%	0.799	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.4	147.3	164.1	-67	-59.3	142	0	0	110.8
1062	W	83.4	Confident	69.6	Low	69 Å²	69	89.4 Å²	89.4	26%	0.261	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-68.1	142.5	174.1	-75	101.5	0	0	0	110.7	R1079 R1080 R1081 E1099	W1062-R1079 HydrophobicContact CD2-CG 4.24Å; W1062-R1079 HydrophobicContact CE3-CB 4.25Å; W1062-R1079 HydrophobicContact CE3-CG 3.66Å; W1062-R1079 HydrophobicContact CZ3-CG 4.11Å; W1062-R1079 WeakPolarHBondContact CZ3-O 2.96Å; W1062-R1080 VanDerWaalsContact CE3-C 3.46Å; W1062-R1081 HydrophobicContact CD2-CB 3.97Å; W1062-R1081 HydrophobicContact CD2-CG 3.94Å; W1062-R1081 VanDerWaalsContact CE2-CD 3.42Å; W1062-R1081 HydrophobicContact CE3-CB 3.83Å; W1062-R1081 HydrophobicContact CE3-CG 3.78Å; W1062-R1081 HydrophobicContact CG-CB 4.41Å; W1062-R1081 HydrophobicContact CH2-CG 3.81Å; W1062-R1081 VanDerWaalsContact CZ2-CD 3.47Å; W1062-R1081 HydrophobicContact CZ2-CG 3.97Å; W1062-R1081 HydrophobicContact CZ3-CB 4.23Å; W1062-R1081 HydrophobicContact CZ3-CG 3.71Å; W1062-E1099 HydrophobicContact CH2-CB 3.75Å; W1062-E1099 HydrophobicContact CZ2-CB 4.39Å; W1062-E1099 HydrophobicContact CZ3-CB 3.96Å
1063	S	85.8	Confident	70.4	Confident	58 Å²	58	87.4 Å²	87.4	41%	0.406	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.8	160.3	165.5	76.6	0	0	0	0	110.4	R1079 R1080	S1063-R1079 WeakPolarHBondContact O-CB 3.21Å; S1063-R1079 WeakPolarHBondContact OG-CA 3.12Å; S1063-R1080 WeakPolarHBondContact CB-O 3.42Å; S1063-R1080 PolarHBondContact N-O 3.42Å; S1063-R1080 PolarHBondContact OG-N 3.05Å; S1063-R1080 PolarHBondContact OG-O 2.8Å
1064	Q	88	Confident	71.1	Confident	184 Å²	184	85.5 Å²	85.5	86%	0.86	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-59.4	149.3	163.6	-63.5	-164	-14.3	0	0	109.7
1065	W	84	Confident	72.6	Confident	70 Å²	70	78.2 Å²	78.2	27%	0.265	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-59.9	138.7	171.5	-70.7	102.6	0	0	0	109.5	Q1077 S1078 R1079 E1099 Q1101	W1065-Q1077 HydrophobicContact CB-CB 4.44Å; W1065-Q1077 HydrophobicContact CB-CG 4.49Å; W1065-Q1077 HydrophobicContact CD2-CG 4.16Å; W1065-Q1077 HydrophobicContact CE3-CB 4.06Å; W1065-Q1077 HydrophobicContact CE3-CG 3.64Å; W1065-Q1077 HydrophobicContact CZ3-CG 4.18Å; W1065-Q1077 WeakPolarHBondContact CZ3-O 3.26Å; W1065-S1078 VanDerWaalsContact CE3-C 3.46Å; W1065-R1079 HydrophobicContact CD2-CB 4.03Å; W1065-R1079 HydrophobicContact CD2-CG 3.91Å; W1065-R1079 VanDerWaalsContact CE2-CD 3.42Å; W1065-R1079 HydrophobicContact CE3-CB 3.95Å; W1065-R1079 HydrophobicContact CE3-CG 3.84Å; W1065-R1079 HydrophobicContact CG-CB 4.46Å; W1065-R1079 HydrophobicContact CH2-CG 3.83Å; W1065-R1079 HydrophobicContact CZ2-CG 3.89Å; W1065-R1079 VanDerWaalsContact CZ2-NE 3.27Å; W1065-R1079 HydrophobicContact CZ3-CB 4.35Å; W1065-R1079 HydrophobicContact CZ3-CG 3.81Å; W1065-E1099 HydrophobicContact CH2-CB 4.37Å; W1065-E1099 HydrophobicContact CH2-CG 4.03Å; W1065-Q1101 HydrophobicContact CH2-CB 3.77Å; W1065-Q1101 HydrophobicContact CZ2-CB 4.49Å; W1065-Q1101 HydrophobicContact CZ3-CB 3.96Å
1066	T	84.8	Confident	74.1	Confident	69 Å²	69	83.1 Å²	83.1	42%	0.423	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-58.3	156.4	168.2	58.6	0	0	0	0	110.2	C1068 Q1077 S1078	T1066-C1068 PolarHBondContact O-N 3.46Å; T1066-Q1077 WeakPolarHBondContact O-CB 3.09Å; T1066-Q1077 WeakPolarHBondContact OG1-CA 3.16Å; T1066-S1078 WeakPolarHBondContact CG2-O 3.48Å; T1066-S1078 PolarHBondContact N-O 3.15Å; T1066-S1078 PolarHBondContact OG1-N 3.45Å; T1066-S1078 PolarHBondContact OG1-O 2.74Å
1067	T	83.8	Confident	75.9	Confident	130 Å²	130	76.4 Å²	76.4	80%	0.798	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-54.3	141.2	167.9	51.1	0	0	0	0	109.7	S1069	T1067-S1069 PolarHBondContact O-N 2.97Å
1068	C	80.1	Confident	77	Confident	22 Å²	22	77 Å²	77	15%	0.149	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-58.1	134	178	-165.7	0	0	0	0	109.7	T1066 A1070 C1103 N1104	T1066-C1068 PolarHBondContact O-N 3.46Å; C1068-A1070 PolarHBondContact O-N 3.37Å; C1068-A1070 PolarHBondContact SG-O 3.19Å; C1068-C1103 WeakPolarHBondContact CA-SG 3.4Å; C1068-C1103 HydrophobicContact CB-CB 3.93Å; C1068-C1103 WeakPolarHBondContact CB-SG 3.13Å; C1068-C1103 VanDerWaalsContact SG-C 3.57Å; C1068-C1103 WeakPolarHBondContact SG-CB 3.34Å; C1068-C1103 CovalentContact SG-SG 2.02Å; C1068-C1103 PolarHBondContact SG-SG 3.3Å; C1068-N1104 WeakPolarHBondContact CB-ND2 3.35Å; C1068-N1104 PolarHBondContact SG-ND2 3.31Å
1069	S	78.7	Confident	78.1	Confident	89 Å²	89	75.6 Å²	75.6	62%	0.622	42%	0.416	S	S	*	.	S	Bend	trans	-64.3	-12.3	-177.5	71.6	0	0	0	0	114.3	T1067 G1075 R1076	T1067-S1069 PolarHBondContact O-N 2.97Å; S1069-G1075 VanDerWaalsContact OG-CA 3.31Å; S1069-G1075 WeakPolarHBondContact OG-CA 3.32Å; S1069-R1076 PolarHBondContact N-O 3.13Å; S1069-R1076 PolarHBondContact OG-N 3.16Å
1070	A	66.7	Low	78.7	Confident	29 Å²	29	79.4 Å²	79.4	24%	0.24	43%	0.431	C	S	.	.			trans	-146.7	136.4	176.7	0	0	0	0	0	109.6	C1068 C1072 N1104	C1068-A1070 PolarHBondContact O-N 3.37Å; C1068-A1070 PolarHBondContact SG-O 3.19Å; A1070-C1072 VanDerWaalsContact C-N 3.27Å; A1070-C1072 PolarHBondContact O-N 3.11Å; A1070-N1104 WeakPolarHBondContact O-CB 3.1Å; A1070-N1104 PolarHBondContact O-ND2 2.89Å
1071	D	73.6	Confident	78.7	Confident	149 Å²	149	80.4 Å²	80.4	80%	0.797	43%	0.43	S	S	*	.	S	Bend	trans	-76.2	-17.2	-179.2	-63.4	-47	0	0	0	113
1072	C	73.9	Confident	78.8	Confident	48 Å²	48	76 Å²	76	32%	0.324	42%	0.418	S	S	.	.	S	Bend	trans	-158.8	161.4	176.7	54.2	0	0	0	0	110	A1070 S1106 C1108	A1070-C1072 VanDerWaalsContact C-N 3.27Å; A1070-C1072 PolarHBondContact O-N 3.11Å; C1072-S1106 CarbonylContact C-O 3.51Å; C1072-C1108 HydrophobicContact CB-CB 3.86Å; C1072-C1108 WeakPolarHBondContact CB-SG 3.26Å; C1072-C1108 PolarHBondContact O-SG 2.99Å; C1072-C1108 VanDerWaalsContact O-SG 3.4Å; C1072-C1108 WeakPolarHBondContact SG-CA 3.45Å; C1072-C1108 WeakPolarHBondContact SG-CB 3.49Å; C1072-C1108 CovalentContact SG-SG 2.02Å; C1072-C1108 PolarHBondContact SG-SG 2.93Å
1073	G	56.9	Low	78.2	Confident	53 Å²	53	74.7 Å²	74.7	55%	0.546	42%	0.419	S	S	.	.	S	Bend	trans	85.3	4.1	177.6	0	0	0	0	0	115.5	N1104 S1106	G1073-N1104 PolarHBondContact N-O 3.22Å; G1073-S1106 PolarHBondContact N-O 2.92Å
1074	G	62.8	Low	77.3	Confident	41 Å²	41	77 Å²	77	42%	0.423	43%	0.426	S	S	.	.			trans	91.8	113.3	-174.4	0	0	0	0	0	112.4	C1103 N1104	G1074-C1103 CarbonylContact C-O 3.37Å; G1074-C1103 WeakPolarHBondContact CA-O 3.31Å; G1074-N1104 WeakPolarHBondContact CA-O 3.48Å; G1074-N1104 PolarHBondContact N-O 3.2Å
1075	G	75.2	Confident	75.9	Confident	7 Å²	7	74.2 Å²	74.2	7%	0.072	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	180	169.7	0	0	0	0	0	112.2	S1069 S1102 C1103	S1069-G1075 VanDerWaalsContact OG-CA 3.31Å; S1069-G1075 WeakPolarHBondContact OG-CA 3.32Å; G1075-S1102 WeakPolarHBondContact O-CA 3.12Å; G1075-C1103 PolarHBondContact N-O 3.13Å; G1075-C1103 PolarHBondContact O-N 3.19Å; G1075-C1103 PolarHBondContact O-SG 3.42Å
1076	R	78.9	Confident	74.3	Confident	170 Å²	170	76 Å²	76	64%	0.642	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.5	172.7	-67.9	-176.4	-161.8	-179	5.3	110.8	S1069 Q1101	S1069-R1076 PolarHBondContact N-O 3.13Å; S1069-R1076 PolarHBondContact OG-N 3.16Å; R1076-Q1101 WeakPolarHBondContact CA-O 3.37Å
1077	Q	82.4	Confident	72.7	Confident	42 Å²	42	78.5 Å²	78.5	20%	0.196	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.8	167.5	57.4	-178.3	5.6	0	0	109	W1065 T1066 Q1101 C1103	W1065-Q1077 HydrophobicContact CB-CB 4.44Å; W1065-Q1077 HydrophobicContact CB-CG 4.49Å; W1065-Q1077 HydrophobicContact CD2-CG 4.16Å; W1065-Q1077 HydrophobicContact CE3-CB 4.06Å; W1065-Q1077 HydrophobicContact CE3-CG 3.64Å; W1065-Q1077 HydrophobicContact CZ3-CG 4.18Å; W1065-Q1077 WeakPolarHBondContact CZ3-O 3.26Å; T1066-Q1077 WeakPolarHBondContact O-CB 3.09Å; T1066-Q1077 WeakPolarHBondContact OG1-CA 3.16Å; Q1077-Q1101 HydrophobicContact CG-CB 4.5Å; Q1077-Q1101 PolarHBondContact N-O 3.38Å; Q1077-Q1101 PolarHBondContact O-N 3.35Å; Q1077-C1103 HydrophobicContact CG-CB 4.15Å
1078	S	83.1	Confident	70.9	Confident	37 Å²	37	80 Å²	80	26%	0.259	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.1	179	52.9	0	0	0	0	110.9	W1065 T1066 E1099	W1065-S1078 VanDerWaalsContact CE3-C 3.46Å; T1066-S1078 WeakPolarHBondContact CG2-O 3.48Å; T1066-S1078 PolarHBondContact N-O 3.15Å; T1066-S1078 PolarHBondContact OG1-N 3.45Å; T1066-S1078 PolarHBondContact OG1-O 2.74Å; S1078-E1099 CarbonylContact C-O 3.45Å; S1078-E1099 VanDerWaalsContact CA-O 3.23Å; S1078-E1099 WeakPolarHBondContact CA-O 3.39Å
1079	R	85.6	Confident	69.2	Low	64 Å²	64	79.9 Å²	79.9	24%	0.242	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.8	172.1	61.6	176.1	-178.4	-171.8	-3.1	110.2	W1062 S1063 W1065 I1098 E1099	W1062-R1079 HydrophobicContact CD2-CG 4.24Å; W1062-R1079 HydrophobicContact CE3-CB 4.25Å; W1062-R1079 HydrophobicContact CE3-CG 3.66Å; W1062-R1079 HydrophobicContact CZ3-CG 4.11Å; W1062-R1079 WeakPolarHBondContact CZ3-O 2.96Å; S1063-R1079 WeakPolarHBondContact O-CB 3.21Å; S1063-R1079 WeakPolarHBondContact OG-CA 3.12Å; W1065-R1079 HydrophobicContact CD2-CB 4.03Å; W1065-R1079 HydrophobicContact CD2-CG 3.91Å; W1065-R1079 VanDerWaalsContact CE2-CD 3.42Å; W1065-R1079 HydrophobicContact CE3-CB 3.95Å; W1065-R1079 HydrophobicContact CE3-CG 3.84Å; W1065-R1079 HydrophobicContact CG-CB 4.46Å; W1065-R1079 HydrophobicContact CH2-CG 3.83Å; W1065-R1079 HydrophobicContact CZ2-CG 3.89Å; W1065-R1079 VanDerWaalsContact CZ2-NE 3.27Å; W1065-R1079 HydrophobicContact CZ3-CB 4.35Å; W1065-R1079 HydrophobicContact CZ3-CG 3.81Å; R1079-I1098 WeakPolarHBondContact O-CA 3.34Å; R1079-E1099 HydrophobicContact CG-CB 4.15Å; R1079-E1099 IonicContact CZ-OE2 2.81Å; R1079-E1099 PolarHBondContact N-O 2.79Å; R1079-E1099 IonicContact NE-OE2 3.99Å; R1079-E1099 PolarHBondContact NE-OE2 2.92Å; R1079-E1099 IonicContact NH2-OE1 2.76Å; R1079-E1099 IonicContact NH2-OE2 3.08Å; R1079-E1099 PolarHBondContact NH2-OE2 2.89Å; R1079-E1099 PolarHBondContact O-N 2.91Å
1080	R	87	Confident	67.6	Low	137 Å²	137	85.9 Å²	85.9	52%	0.517	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.6	-173.2	-141.3	174.5	-146.7	-76.5	8.8	111.3	W1062 S1063 S1097 I1098	W1062-R1080 VanDerWaalsContact CE3-C 3.46Å; S1063-R1080 WeakPolarHBondContact CB-O 3.42Å; S1063-R1080 PolarHBondContact N-O 3.42Å; S1063-R1080 PolarHBondContact OG-N 3.05Å; S1063-R1080 PolarHBondContact OG-O 2.8Å; R1080-S1097 CarbonylContact C-O 3.56Å; R1080-S1097 VanDerWaalsContact CA-O 3.27Å; R1080-S1097 WeakPolarHBondContact CA-O 3.5Å; R1080-S1097 WeakPolarHBondContact CG-O 3.46Å; R1080-S1097 PolarHBondContact NH1-OG 3.03Å; R1080-I1098 HydrophobicContact CG-CG1 3.72Å; R1080-I1098 VanDerWaalsContact CZ-CD1 3.44Å; R1080-I1098 VanDerWaalsContact CZ-CG1 3.46Å
1081	R	79.3	Confident	66.5	Low	49 Å²	49	86.9 Å²	86.9	19%	0.185	47%	0.473	C	S	.	.			trans	-135.3	155.3	170.1	60.7	177.6	179.5	-171.1	1	109.9	W1059 W1062 F1096 S1097	W1059-R1081 HydrophobicContact CD2-CG 4.2Å; W1059-R1081 HydrophobicContact CE3-CB 4.42Å; W1059-R1081 HydrophobicContact CE3-CG 3.62Å; W1059-R1081 HydrophobicContact CZ3-CG 4.09Å; W1062-R1081 HydrophobicContact CD2-CB 3.97Å; W1062-R1081 HydrophobicContact CD2-CG 3.94Å; W1062-R1081 VanDerWaalsContact CE2-CD 3.42Å; W1062-R1081 HydrophobicContact CE3-CB 3.83Å; W1062-R1081 HydrophobicContact CE3-CG 3.78Å; W1062-R1081 HydrophobicContact CG-CB 4.41Å; W1062-R1081 HydrophobicContact CH2-CG 3.81Å; W1062-R1081 VanDerWaalsContact CZ2-CD 3.47Å; W1062-R1081 HydrophobicContact CZ2-CG 3.97Å; W1062-R1081 HydrophobicContact CZ3-CB 4.23Å; W1062-R1081 HydrophobicContact CZ3-CG 3.71Å; R1081-F1096 PolarHBondContact NE-O 2.98Å; R1081-F1096 VanDerWaalsContact NE-O 3.11Å; R1081-F1096 PolarHBondContact NH2-O 2.87Å; R1081-S1097 PolarHBondContact N-O 2.88Å; R1081-S1097 WeakPolarHBondContact O-CB 3.11Å
1082	S	80.2	Confident	65.7	Low	80 Å²	80	84.6 Å²	84.6	56%	0.559	47%	0.468	S	S	*	.			trans	-114.4	140.5	-177.5	-62.2	0	0	0	0	110	S1060 I1084	S1060-S1082 VanDerWaalsContact CB-O 3.27Å; S1060-S1082 WeakPolarHBondContact CB-O 3.45Å; S1060-S1082 PolarHBondContact N-O 3.23Å; S1060-S1082 PolarHBondContact OG-N 3.32Å; S1060-S1082 PolarHBondContact OG-O 3.4Å; S1082-I1084 PolarHBondContact O-N 2.87Å
1083	C	71.3	Confident	65.1	Low	41 Å²	41	82.9 Å²	82.9	28%	0.277	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	117.5	174.6	-179.1	0	0	0	0	109.3	W1059 Q1085 C1093	W1059-C1083 HydrophobicContact CE3-CB 4.27Å; W1059-C1083 HydrophobicContact CZ3-CB 4.06Å; C1083-Q1085 PolarHBondContact O-N 3.45Å; C1083-C1093 WeakPolarHBondContact CA-SG 3.38Å; C1083-C1093 HydrophobicContact CB-CB 3.62Å; C1083-C1093 WeakPolarHBondContact CB-SG 3.42Å; C1083-C1093 WeakPolarHBondContact SG-CB 3.33Å; C1083-C1093 PolarHBondContact SG-N 2.9Å; C1083-C1093 VanDerWaalsContact SG-N 3.37Å; C1083-C1093 CovalentContact SG-SG 2.02Å; C1083-C1093 PolarHBondContact SG-SG 2.94Å
1084	I	66.7	Low	65.1	Low	106 Å²	106	88 Å²	88	54%	0.544	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	99.3	175.4	-54.7	175.4	0	0	0	106.9	V1058 S1082	V1058-I1084 WeakPolarHBondContact O-CB 3.41Å; V1058-I1084 PolarHBondContact O-N 3.26Å; S1082-I1084 PolarHBondContact O-N 2.87Å
1085	Q	59.2	Low	65.2	Low	125 Å²	125	88 Å²	88	58%	0.584	47%	0.472	S	S	*	.			trans	-80.2	122.2	174.7	-70.6	-178.8	-25.4	0	0	109.4	C1083	C1083-Q1085 PolarHBondContact O-N 3.45Å
1086	N	50.9	Low	65	Low	107 Å²	107	95.3 Å²	95.3	57%	0.572	50%	0.502	S	S	*	.			trans	-80.1	134	163.4	-153.6	-7.2	0	0	0	108.1	L1088 S1089	N1086-L1088 PolarHBondContact O-N 2.77Å; N1086-S1089 PolarHBondContact O-N 3.4Å; N1086-S1089 PolarHBondContact O-OG 2.79Å
1087	S	50.4	Low	65	Low	122 Å²	122	89.2 Å²	89.2	85%	0.853	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-6.8	-164.3	-54.4	0	0	0	0	115.6
1088	L	46.8	Very low	64.5	Low	162 Å²	162	90.7 Å²	90.7	85%	0.848	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-9.4	178.6	-76.1	108.1	0	0	0	114.9	N1086	N1086-L1088 PolarHBondContact O-N 2.77Å
1089	S	42.9	Very low	64.4	Low	20 Å²	20	92.6 Å²	92.6	14%	0.14	50%	0.499	C	S	.	.			trans	-121.4	117.9	180	62.5	0	0	0	0	111.6	N1086 A1091	N1086-S1089 PolarHBondContact O-N 3.4Å; N1086-S1089 PolarHBondContact O-OG 2.79Å; S1089-A1091 PolarHBondContact O-N 3.01Å
1090	K	46.6	Very low	64.1	Low	214 Å²	214	95.4 Å²	95.4	93%	0.93	52%	0.515	S	S	*	.			trans	-75.9	10.2	169.1	-88	-175.7	177.4	179.7	0	113.6	S1092	K1090-S1092 PolarHBondContact O-N 3.24Å
1091	A	43.9	Very low	63.7	Low	51 Å²	51	93.9 Å²	93.9	42%	0.421	51%	0.514	S	S	.	.			trans	-66.2	116	176.2	0	0	0	0	0	110.1	S1057 S1089	S1057-A1091 WeakPolarHBondContact CB-O 3.47Å; S1057-A1091 PolarHBondContact OG-O 2.94Å; S1089-A1091 PolarHBondContact O-N 3.01Å
1092	S	55.4	Low	63.5	Low	100 Å²	100	96.1 Å²	96.1	70%	0.699	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-72.6	140.6	173.7	-171.4	0	0	0	0	110.3	K1090 N1094	K1090-S1092 PolarHBondContact O-N 3.24Å; S1092-N1094 PolarHBondContact O-N 3.34Å
1093	C	62	Low	63.3	Low	13 Å²	13	93 Å²	93	9%	0.088	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-67.6	133.3	178.3	-62.5	0	0	0	0	110.9	W1059 C1083	W1059-C1093 HydrophobicContact CD2-CB 3.73Å; W1059-C1093 HydrophobicContact CE3-CB 4.15Å; W1059-C1093 HydrophobicContact CG-CB 4.3Å; W1059-C1093 HydrophobicContact CH2-CB 3.84Å; W1059-C1093 HydrophobicContact CZ2-CB 3.36Å; W1059-C1093 WeakPolarHBondContact CZ2-O 3.45Å; W1059-C1093 HydrophobicContact CZ3-CB 4.21Å; C1083-C1093 WeakPolarHBondContact CA-SG 3.38Å; C1083-C1093 HydrophobicContact CB-CB 3.62Å; C1083-C1093 WeakPolarHBondContact CB-SG 3.42Å; C1083-C1093 WeakPolarHBondContact SG-CB 3.33Å; C1083-C1093 PolarHBondContact SG-N 2.9Å; C1083-C1093 VanDerWaalsContact SG-N 3.37Å; C1083-C1093 CovalentContact SG-SG 2.02Å; C1083-C1093 PolarHBondContact SG-SG 2.94Å
1094	N	56.5	Low	63.2	Low	159 Å²	159	94.5 Å²	94.5	85%	0.85	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-87	130.3	-178.7	-148	-1.3	0	0	0	111.1	W1059 S1092	W1059-N1094 PolarHBondContact NE1-O 3.46Å; S1092-N1094 PolarHBondContact O-N 3.34Å
1095	G	64.4	Low	62.7	Low	43 Å²	43	93.6 Å²	93.6	44%	0.443	53%	0.529	S	S	.	.	S	Bend	trans	112.8	171.4	-175.8	0	0	0	0	0	114.6	W1059	W1059-G1095 WeakPolarHBondContact CH2-O 3.34Å; W1059-G1095 WeakPolarHBondContact CZ2-O 3.13Å
1096	F	71.3	Confident	62.5	Low	160 Å²	160	91.8 Å²	91.8	70%	0.702	53%	0.53	S	S	*	.			trans	-77.6	144.7	-177.6	-58.5	-74.7	0	0	0	112.2	R1081 I1098	R1081-F1096 PolarHBondContact NE-O 2.98Å; R1081-F1096 VanDerWaalsContact NE-O 3.11Å; R1081-F1096 PolarHBondContact NH2-O 2.87Å; F1096-I1098 VanDerWaalsContact C-N 3.33Å; F1096-I1098 WeakPolarHBondContact CB-O 3.39Å
1097	S	78.5	Confident	62.5	Low	42 Å²	42	91.9 Å²	91.9	29%	0.294	54%	0.537	S	S	.	.	S	Bend	trans	-83.5	-9.8	172.6	61.7	0	0	0	0	113.1	R1080 R1081	R1080-S1097 CarbonylContact C-O 3.56Å; R1080-S1097 VanDerWaalsContact CA-O 3.27Å; R1080-S1097 WeakPolarHBondContact CA-O 3.5Å; R1080-S1097 WeakPolarHBondContact CG-O 3.46Å; R1080-S1097 PolarHBondContact NH1-OG 3.03Å; R1081-S1097 PolarHBondContact N-O 2.88Å; R1081-S1097 WeakPolarHBondContact O-CB 3.11Å
1098	I	73.4	Confident	62.6	Low	72 Å²	72	89.2 Å²	89.2	37%	0.369	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.4	-179.7	-63.7	158.9	0	0	0	109.1	R1079 R1080 F1096 E1100	R1079-I1098 WeakPolarHBondContact O-CA 3.34Å; R1080-I1098 HydrophobicContact CG-CG1 3.72Å; R1080-I1098 VanDerWaalsContact CZ-CD1 3.44Å; R1080-I1098 VanDerWaalsContact CZ-CG1 3.46Å; F1096-I1098 VanDerWaalsContact C-N 3.33Å; F1096-I1098 WeakPolarHBondContact CB-O 3.39Å; I1098-E1100 HydrophobicContact CG2-CG 4.37Å
1099	E	79.9	Confident	62.9	Low	77 Å²	77	89.4 Å²	89.4	36%	0.36	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.6	169.5	-169.3	-179.9	-172.5	0	0	109.7	W1062 W1065 S1078 R1079	W1062-E1099 HydrophobicContact CH2-CB 3.75Å; W1062-E1099 HydrophobicContact CZ2-CB 4.39Å; W1062-E1099 HydrophobicContact CZ3-CB 3.96Å; W1065-E1099 HydrophobicContact CH2-CB 4.37Å; W1065-E1099 HydrophobicContact CH2-CG 4.03Å; S1078-E1099 CarbonylContact C-O 3.45Å; S1078-E1099 VanDerWaalsContact CA-O 3.23Å; S1078-E1099 WeakPolarHBondContact CA-O 3.39Å; R1079-E1099 HydrophobicContact CG-CB 4.15Å; R1079-E1099 IonicContact CZ-OE2 2.81Å; R1079-E1099 PolarHBondContact N-O 2.79Å; R1079-E1099 IonicContact NE-OE2 3.99Å; R1079-E1099 PolarHBondContact NE-OE2 2.92Å; R1079-E1099 IonicContact NH2-OE1 2.76Å; R1079-E1099 IonicContact NH2-OE2 3.08Å; R1079-E1099 PolarHBondContact NH2-OE2 2.89Å; R1079-E1099 PolarHBondContact O-N 2.91Å
1100	E	79.8	Confident	62.9	Low	124 Å²	124	94.8 Å²	94.8	58%	0.579	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.2	142.9	178.3	-62.1	-159.4	142.8	0	0	111.3	I1098	I1098-E1100 HydrophobicContact CG2-CG 4.37Å
1101	Q	78.7	Confident	62.5	Low	104 Å²	104	91.1 Å²	91.1	49%	0.486	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.6	177.1	-163.3	-179.1	9.5	0	0	111.7	W1065 R1076 Q1077	W1065-Q1101 HydrophobicContact CH2-CB 3.77Å; W1065-Q1101 HydrophobicContact CZ2-CB 4.49Å; W1065-Q1101 HydrophobicContact CZ3-CB 3.96Å; R1076-Q1101 WeakPolarHBondContact CA-O 3.37Å; Q1077-Q1101 HydrophobicContact CG-CB 4.5Å; Q1077-Q1101 PolarHBondContact N-O 3.38Å; Q1077-Q1101 PolarHBondContact O-N 3.35Å
1102	S	74.6	Confident	61.8	Low	97 Å²	97	97.6 Å²	97.6	68%	0.678	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.6	142.3	169.4	36.4	0	0	0	0	112.2	G1075	G1075-S1102 WeakPolarHBondContact O-CA 3.12Å
1103	C	75.3	Confident	60.6	Low	15 Å²	15	104.3 Å²	104.3	10%	0.101	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140	163.7	178.9	50.3	0	0	0	0	111	C1068 G1074 G1075 Q1077 A1105	C1068-C1103 WeakPolarHBondContact CA-SG 3.4Å; C1068-C1103 HydrophobicContact CB-CB 3.93Å; C1068-C1103 WeakPolarHBondContact CB-SG 3.13Å; C1068-C1103 VanDerWaalsContact SG-C 3.57Å; C1068-C1103 WeakPolarHBondContact SG-CB 3.34Å; C1068-C1103 CovalentContact SG-SG 2.02Å; C1068-C1103 PolarHBondContact SG-SG 3.3Å; G1074-C1103 CarbonylContact C-O 3.37Å; G1074-C1103 WeakPolarHBondContact CA-O 3.31Å; G1075-C1103 PolarHBondContact N-O 3.13Å; G1075-C1103 PolarHBondContact O-N 3.19Å; G1075-C1103 PolarHBondContact O-SG 3.42Å; Q1077-C1103 HydrophobicContact CG-CB 4.15Å; C1103-A1105 PolarHBondContact O-N 3.03Å
1104	N	69.2	Low	59.1	Low	71 Å²	71	110.8 Å²	110.8	38%	0.38	61%	0.612	S	S	.	*			trans	49.3	45.7	176.4	-63.1	-17.2	0	0	0	115.7	C1068 A1070 G1073 G1074 S1106	C1068-N1104 WeakPolarHBondContact CB-ND2 3.35Å; C1068-N1104 PolarHBondContact SG-ND2 3.31Å; A1070-N1104 WeakPolarHBondContact O-CB 3.1Å; A1070-N1104 PolarHBondContact O-ND2 2.89Å; G1073-N1104 PolarHBondContact N-O 3.22Å; G1074-N1104 WeakPolarHBondContact CA-O 3.48Å; G1074-N1104 PolarHBondContact N-O 3.2Å; N1104-S1106 PolarHBondContact O-N 2.98Å
1105	A	56.4	Low	57.8	Low	88 Å²	88	108.9 Å²	108.9	73%	0.727	61%	0.611	S	S	*	*			trans	-66.6	-3.8	-177.8	0	0	0	0	0	115.2	C1103	C1103-A1105 PolarHBondContact O-N 3.03Å
1106	S	56	Low	56.1	Low	87 Å²	87	113.7 Å²	113.7	61%	0.608	63%	0.631	S	S	*	*	S	Bend	trans	-76	133.2	178.3	-60.7	0	0	0	0	111	C1072 G1073 N1104	C1072-S1106 CarbonylContact C-O 3.51Å; G1073-S1106 PolarHBondContact N-O 2.92Å; N1104-S1106 PolarHBondContact O-N 2.98Å
1107	P	50.5	Low	54	Low	109 Å²	109	118 Å²	118	71%	0.708	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-59.3	144.8	179.3	21.9	-30.6	0	0	0	112.3	N1109	P1107-N1109 PolarHBondContact O-N 2.86Å
1108	C	52.8	Low	51.7	Low	66 Å²	66	119.1 Å²	119.1	45%	0.446	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-65.7	118.9	174.7	-62.1	0	0	0	0	110.2	C1072 T1110	C1072-C1108 HydrophobicContact CB-CB 3.86Å; C1072-C1108 WeakPolarHBondContact CB-SG 3.26Å; C1072-C1108 PolarHBondContact O-SG 2.99Å; C1072-C1108 VanDerWaalsContact O-SG 3.4Å; C1072-C1108 WeakPolarHBondContact SG-CA 3.45Å; C1072-C1108 WeakPolarHBondContact SG-CB 3.49Å; C1072-C1108 CovalentContact SG-SG 2.02Å; C1072-C1108 PolarHBondContact SG-SG 2.93Å; C1108-T1110 PolarHBondContact O-N 2.84Å; C1108-T1110 VanDerWaalsContact O-N 3.12Å
1109	N	53.6	Low	49.5	Very low	166 Å²	166	124.6 Å²	124.6	89%	0.888	69%	0.685	S	S	*	*			trans	-66.1	114.3	174.5	-91.6	-14.3	0	0	0	109.7	P1107	P1107-N1109 PolarHBondContact O-N 2.86Å
1110	T	42.9	Very low	46.9	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	71%	0.711	S	S	*	*			trans	-73.4	135.7	175	47.5	0	0	0	0	110.6	C1108	C1108-T1110 PolarHBondContact O-N 2.84Å; C1108-T1110 VanDerWaalsContact O-N 3.12Å
1111	V	36.7	Very low	44.3	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	72%	0.723	S	S	*	*			trans	-45.3	135.8	-179.7	179.4	0	0	0	0	113.3	R1113	V1111-R1113 PolarHBondContact O-N 3.4Å
1112	E	29.3	Very low	41.8	Very low	187 Å²	187	135.2 Å²	135.2	87%	0.874	74%	0.739	S	S	*	*			trans	-40.7	116.1	170.9	-63	168.1	160.8	0	0	112.6
1113	R	31.4	Very low	39.6	Very low	241 Å²	241	140.4 Å²	140.4	91%	0.909	75%	0.749	S	S	*	*			trans	-126.9	103	156.5	-107.8	-172.4	-166.2	-178.9	5.5	109.2	V1111	V1111-R1113 PolarHBondContact O-N 3.4Å
1114	D	30.6	Very low	37.3	Very low	149 Å²	149	146.8 Å²	146.8	80%	0.797	78%	0.782	S	S	*	*			trans	12.1	118.2	157.2	-67.7	-43.4	0	0	0	119.7
1115	S	27.5	Very low	35.4	Very low	119 Å²	119	152 Å²	152	83%	0.832	80%	0.804	S	S	*	*			trans	35.6	86.8	130.7	-75.8	0	0	0	0	117.8
1116	V	30.3	Very low	34.5	Very low	143 Å²	143	155.4 Å²	155.4	87%	0.867	80%	0.798	S	S	*	*			trans	-122.6	100.7	141	-176.4	0	0	0	0	108.4
1117	R	27.5	Very low	33.6	Very low	251 Å²	251	161.9 Å²	161.9	95%	0.947	81%	0.809	S	S	*	*			trans	-66.3	123.1	168.7	-131.1	175.1	176.7	158.5	-2.2	107.8
1118	G	28.2	Very low	33.5	Very low	65 Å²	65	163.6 Å²	163.6	67%	0.67	81%	0.805	S	S	*	*			trans	170.2	70.6	175.6	0	0	0	0	0	114.1	F1120	G1118-F1120 PolarHBondContact O-N 2.07Å
1119	E	27.9	Very low	33.5	Very low	187 Å²	187	163.7 Å²	163.7	87%	0.874	80%	0.804	S	S	*	*			trans	22.3	78.9	149.2	-63.2	-175.7	148.8	0	0	118.7
1120	F	25.6	Very low	33.5	Very low	209 Å²	209	160.3 Å²	160.3	92%	0.917	79%	0.791	S	S	*	*			trans	-154.5	62.7	152.3	-96.1	-77.6	0	0	0	109.8	G1118	G1118-F1120 PolarHBondContact O-N 2.07Å
1121	I	24.5	Very low	34.6	Very low	163 Å²	163	155.1 Å²	155.1	84%	0.836	76%	0.759	S	S	*	*			trans	-116.4	78	172.3	-52.6	177.8	0	0	0	108.9
1122	I	26.7	Very low	36.4	Very low	157 Å²	157	152.2 Å²	152.2	81%	0.805	74%	0.742	S	S	*	*			trans	-143.2	56.1	152.1	-44.7	177.4	0	0	0	108.9
1123	F	27.7	Very low	38.6	Very low	206 Å²	206	146.4 Å²	146.4	90%	0.904	71%	0.712	S	S	*	*	S	Bend	trans	-129.6	109.5	152	-115.9	-92.1	0	0	0	107.6
1124	L	28.4	Very low	41	Very low	149 Å²	149	136.1 Å²	136.1	78%	0.78	68%	0.677	S	S	*	*			trans	-58.3	136.6	-167.1	-68.7	152.6	0	0	0	112.1	R1126	L1124-R1126 PolarHBondContact O-N 3.49Å
1125	E	28.7	Very low	43.5	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	68%	0.676	S	S	*	*			trans	-51.8	81.4	155.7	-64.8	176.7	165.9	0	0	110.4	R1127	E1125-R1127 PolarHBondContact O-N 3.29Å
1126	R	37.1	Very low	46.3	Very low	160 Å²	160	131.9 Å²	131.9	60%	0.604	65%	0.649	S	S	*	*			trans	-74.8	96.9	164.2	-83.2	-172.1	175	-160.8	-1.7	107.1	L1124 F1128	L1124-R1126 PolarHBondContact O-N 3.49Å; R1126-F1128 VanDerWaalsContact O-CD2 3.31Å; R1126-F1128 WeakPolarHBondContact O-CD2 3.48Å; R1126-F1128 PolarHBondContact O-N 2.76Å
1127	R	37.3	Very low	48.9	Very low	222 Å²	222	126 Å²	126	84%	0.838	61%	0.614	S	S	*	*			trans	-55.3	104	168.2	-69.3	-172.8	-174.4	-172.5	1.7	108.6	E1125 T1129	E1125-R1127 PolarHBondContact O-N 3.29Å; R1127-T1129 PolarHBondContact O-N 3.29Å
1128	F	49.1	Very low	51.7	Low	146 Å²	146	118.6 Å²	118.6	64%	0.64	60%	0.6	S	S	*	*			trans	-67.7	117	174.9	-68	-81.1	0	0	0	109.3	R1126 P1130 T1162	R1126-F1128 VanDerWaalsContact O-CD2 3.31Å; R1126-F1128 WeakPolarHBondContact O-CD2 3.48Å; R1126-F1128 PolarHBondContact O-N 2.76Å; F1128-P1130 WeakPolarHBondContact O-CD 3.28Å; F1128-T1162 HydrophobicContact CB-CG2 4.28Å; F1128-T1162 HydrophobicContact CD1-CG2 3.81Å
1129	T	52.9	Low	54.4	Low	68 Å²	68	119.4 Å²	119.4	42%	0.417	58%	0.584	S	S	.	*			trans	-90.1	112.7	172.9	52.1	0	0	0	0	108.8	R1127	R1127-T1129 PolarHBondContact O-N 3.29Å
1130	P	54	Low	57.1	Low	95 Å²	95	111.1 Å²	111.1	62%	0.617	55%	0.546	S	S	*	.			trans	-62.4	153.5	177.1	24.4	-32.1	0	0	0	111.2	F1128	F1128-P1130 WeakPolarHBondContact O-CD 3.28Å
1131	P	65.6	Low	59.9	Low	23 Å²	23	107.2 Å²	107.2	15%	0.149	53%	0.525	C	S	.	.			trans	-59.2	139.9	176.5	-21.4	32	0	0	0	111.9	C1155 I1156 V1157 G1164	P1131-C1155 WeakPolarHBondContact CB-SG 3.31Å; P1131-I1156 VanDerWaalsContact CA-O 3.26Å; P1131-I1156 WeakPolarHBondContact CA-O 3.2Å; P1131-V1157 HydrophobicContact CB-CG2 4.17Å; P1131-V1157 HydrophobicContact CG-CG2 4.27Å; P1131-G1164 WeakPolarHBondContact CG-O 3.35Å
1132	T	73.6	Confident	62.6	Low	77 Å²	77	100.3 Å²	100.3	47%	0.472	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147	-178.4	52.8	0	0	0	0	110.9	I1156	T1132-I1156 PolarHBondContact N-O 3.39Å; T1132-I1156 WeakPolarHBondContact O-CA 3.37Å; T1132-I1156 WeakPolarHBondContact O-CB 3.4Å; T1132-I1156 PolarHBondContact O-N 3.28Å
1133	W	76.7	Confident	65.1	Low	65 Å²	65	93.9 Å²	93.9	25%	0.246	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.6	171.1	-74.4	114.8	0	0	0	110.5	R1153 M1154 C1155 C1166 L1167 G1168	W1133-R1153 HydrophobicContact CD2-CG 4.13Å; W1133-R1153 HydrophobicContact CE3-CB 4.31Å; W1133-R1153 HydrophobicContact CE3-CG 3.51Å; W1133-R1153 HydrophobicContact CZ3-CG 3.86Å; W1133-M1154 CarbonylContact C-O 3.33Å; W1133-M1154 WeakPolarHBondContact CA-O 3.25Å; W1133-C1155 HydrophobicContact CE3-CB 4.42Å; W1133-C1155 HydrophobicContact CZ3-CB 4.21Å; W1133-C1166 HydrophobicContact CD2-CB 3.56Å; W1133-C1166 HydrophobicContact CE3-CB 4.09Å; W1133-C1166 HydrophobicContact CG-CB 4.04Å; W1133-C1166 HydrophobicContact CH2-CB 3.96Å; W1133-C1166 HydrophobicContact CZ2-CB 3.4Å; W1133-C1166 VanDerWaalsContact CZ2-CB 3.4Å; W1133-C1166 WeakPolarHBondContact CZ2-O 3.28Å; W1133-C1166 HydrophobicContact CZ3-CB 4.28Å; W1133-L1167 PolarHBondContact NE1-O 2.99Å; W1133-G1168 VanDerWaalsContact CZ2-O 3.24Å; W1133-G1168 WeakPolarHBondContact CZ2-O 3.35Å
1134	S	81	Confident	67.3	Low	24 Å²	24	85.3 Å²	85.3	17%	0.168	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-62.9	166.6	160.6	73.9	0	0	0	0	110.3	M1154	S1134-M1154 PolarHBondContact N-O 2.97Å; S1134-M1154 PolarHBondContact OG-N 3.13Å; S1134-M1154 PolarHBondContact OG-O 3.5Å
1135	S	83.9	Confident	69	Low	110 Å²	110	83.8 Å²	83.8	77%	0.769	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-55.5	147.9	160.1	-57.2	0	0	0	0	110.1
1136	W	84.8	Confident	71.2	Confident	70 Å²	70	79.2 Å²	79.2	27%	0.265	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-62.8	144.7	168.5	-73	106	0	0	0	110.5	R1151 R1153 E1172	W1136-R1151 HydrophobicContact CD2-CG 4.21Å; W1136-R1151 HydrophobicContact CE3-CB 4.3Å; W1136-R1151 HydrophobicContact CE3-CG 3.68Å; W1136-R1151 HydrophobicContact CZ3-CG 4.13Å; W1136-R1151 WeakPolarHBondContact CZ3-O 3.44Å; W1136-R1153 HydrophobicContact CD2-CB 3.87Å; W1136-R1153 HydrophobicContact CD2-CG 3.89Å; W1136-R1153 VanDerWaalsContact CE2-CD 3.44Å; W1136-R1153 HydrophobicContact CE3-CB 3.65Å; W1136-R1153 HydrophobicContact CE3-CG 3.67Å; W1136-R1153 HydrophobicContact CG-CB 4.37Å; W1136-R1153 HydrophobicContact CH2-CG 3.69Å; W1136-R1153 VanDerWaalsContact CZ2-CD 3.46Å; W1136-R1153 HydrophobicContact CZ2-CG 3.92Å; W1136-R1153 VanDerWaalsContact CZ2-CZ 3.45Å; W1136-R1153 HydrophobicContact CZ3-CB 4.04Å; W1136-R1153 HydrophobicContact CZ3-CG 3.57Å; W1136-E1172 HydrophobicContact CH2-CB 3.74Å; W1136-E1172 HydrophobicContact CZ2-CB 4.29Å; W1136-E1172 HydrophobicContact CZ3-CB 3.97Å
1137	S	85.7	Confident	73	Confident	19 Å²	19	75.1 Å²	75.1	13%	0.133	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62.9	164.9	165.4	72.5	0	0	0	0	110.7	V1152 L1215	S1137-V1152 WeakPolarHBondContact CB-O 3.39Å; S1137-V1152 PolarHBondContact N-O 3.18Å; S1137-V1152 PolarHBondContact OG-N 2.71Å; S1137-V1152 PolarHBondContact OG-O 3.4Å; S1137-L1215 WeakPolarHBondContact OG-CD1 3.25Å
1138	S	86.5	Confident	74.9	Confident	95 Å²	95	64.8 Å²	64.8	66%	0.664	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-55.1	149.5	158.9	-60	0	0	0	0	109.8
1139	W	85.4	Confident	76.6	Confident	83 Å²	83	59.8 Å²	59.8	31%	0.314	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-59.8	141.6	169.8	-72.3	102.7	0	0	0	110	H1149 I1150 R1151 E1172 A1174	W1139-H1149 AromaticContact CD2-CD2 3.78Å; W1139-H1149 AromaticContact CD2-CE1 3.88Å; W1139-H1149 AromaticContact CD2-NE2 3.68Å; W1139-H1149 HydrophobicContact CE3-CB 4.17Å; W1139-H1149 AromaticContact CE3-CD2 3.29Å; W1139-H1149 AromaticContact CE3-CG 3.64Å; W1139-H1149 AromaticContact CE3-NE2 3.69Å; W1139-H1149 AromaticContact CG-CE1 3.84Å; W1139-H1149 AromaticContact CG-ND1 3.94Å; W1139-H1149 AromaticContact CZ3-CD2 3.63Å; W1139-H1149 VanDerWaalsContact CZ3-O 3.24Å; W1139-H1149 WeakPolarHBondContact CZ3-O 3.39Å; W1139-I1150 CarbonylContact C-O 3.59Å; W1139-R1151 HydrophobicContact CD2-CB 3.97Å; W1139-R1151 HydrophobicContact CD2-CG 3.98Å; W1139-R1151 HydrophobicContact CE3-CB 3.86Å; W1139-R1151 HydrophobicContact CE3-CG 3.88Å; W1139-R1151 HydrophobicContact CG-CB 4.43Å; W1139-R1151 HydrophobicContact CH2-CG 3.82Å; W1139-R1151 HydrophobicContact CZ2-CG 3.92Å; W1139-R1151 HydrophobicContact CZ3-CB 4.22Å; W1139-R1151 HydrophobicContact CZ3-CG 3.79Å; W1139-E1172 HydrophobicContact CH2-CB 4.35Å; W1139-E1172 HydrophobicContact CH2-CG 3.99Å; W1139-E1172 WeakPolarHBondContact CZ3-O 3.4Å; W1139-A1174 HydrophobicContact CH2-CB 3.56Å; W1139-A1174 HydrophobicContact CZ2-CB 4.13Å; W1139-A1174 HydrophobicContact CZ3-CB 3.93Å
1140	S	83.8	Confident	78.2	Confident	12 Å²	12	59.3 Å²	59.3	8%	0.084	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-58.4	161.5	169.4	72.1	0	0	0	0	109.8	H1149 I1150	S1140-H1149 WeakPolarHBondContact O-CB 3.44Å; S1140-H1149 WeakPolarHBondContact OG-CA 3.29Å; S1140-I1150 WeakPolarHBondContact CB-O 3.47Å; S1140-I1150 PolarHBondContact N-O 2.76Å; S1140-I1150 PolarHBondContact OG-N 3.19Å; S1140-I1150 PolarHBondContact OG-O 2.7Å
1141	R	83.9	Confident	79.8	Confident	127 Å²	127	57.7 Å²	57.7	48%	0.479	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-55.4	149.3	159.8	-77.4	-126.9	-133.1	171.2	11	109	S1143 T1180 V1184 A1217	R1141-S1143 PolarHBondContact O-N 3.04Å; R1141-T1180 PolarHBondContact NH1-OG1 3.33Å; R1141-V1184 HydrophobicContact CB-CG2 4.12Å; R1141-V1184 HydrophobicContact CG-CG2 3.96Å; R1141-A1217 HydrophobicContact CB-CB 4.31Å
1142	C	81.9	Confident	80.6	Confident	18 Å²	18	57.6 Å²	57.6	12%	0.122	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-60.5	121	178.4	-165.8	0	0	0	0	109.7	C1144 C1176 A1178 N1218	C1142-C1144 PolarHBondContact O-N 3.33Å; C1142-C1176 WeakPolarHBondContact CA-SG 3.1Å; C1142-C1176 HydrophobicContact CB-CB 3.86Å; C1142-C1176 WeakPolarHBondContact CB-SG 3.18Å; C1142-C1176 WeakPolarHBondContact SG-CB 3.43Å; C1142-C1176 PolarHBondContact SG-O 3.36Å; C1142-C1176 VanDerWaalsContact SG-O 3.34Å; C1142-C1176 CovalentContact SG-SG 2.02Å; C1142-C1176 PolarHBondContact SG-SG 2.8Å; C1142-A1178 HydrophobicContact CB-CB 3.78Å; C1142-N1218 PolarHBondContact O-OD1 3.12Å
1143	S	79	Confident	81	Confident	22 Å²	22	56 Å²	56	15%	0.154	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-68.1	112.9	173	169.1	0	0	0	0	107.5	R1141 H1145 T1146 S1147 S1148 N1218	R1141-S1143 PolarHBondContact O-N 3.04Å; S1143-H1145 PolarHBondContact O-N 3.29Å; S1143-H1145 PolarHBondContact OG-N 2.79Å; S1143-T1146 WeakPolarHBondContact CB-OG1 3.33Å; S1143-T1146 PolarHBondContact O-N 3.14Å; S1143-T1146 PolarHBondContact OG-N 2.91Å; S1143-T1146 PolarHBondContact OG-OG1 2.86Å; S1143-S1147 WeakPolarHBondContact O-CA 3.21Å; S1143-S1147 PolarHBondContact O-N 2.73Å; S1143-S1148 WeakPolarHBondContact CB-O 3.21Å; S1143-S1148 PolarHBondContact N-O 3.43Å; S1143-N1218 WeakPolarHBondContact CA-OD1 3.4Å
1144	C	73.2	Confident	81.1	Confident	27 Å²	27	54.6 Å²	54.6	18%	0.182	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.8	179.5	63.6	0	0	0	0	113.1	C1142 A1178 C1181 N1218	C1142-C1144 PolarHBondContact O-N 3.33Å; C1144-A1178 HydrophobicContact CB-CB 3.87Å; C1144-C1181 HydrophobicContact CB-CB 4.23Å; C1144-C1181 WeakPolarHBondContact CB-SG 3.03Å; C1144-C1181 WeakPolarHBondContact SG-CB 3.31Å; C1144-C1181 CovalentContact SG-SG 2.03Å; C1144-C1181 PolarHBondContact SG-SG 3Å; C1144-N1218 PolarHBondContact N-OD1 3.5Å
1145	H	65.9	Low	80.5	Confident	117 Å²	117	55.2 Å²	55.2	54%	0.542	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-39.2	173.2	-58	-66.4	0	0	0	112.4	S1143	S1143-H1145 PolarHBondContact O-N 3.29Å; S1143-H1145 PolarHBondContact OG-N 2.79Å
1146	T	74.8	Confident	79.9	Confident	84 Å²	84	52.5 Å²	52.5	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-7.6	-176.4	55.1	0	0	0	0	113.5	S1143 S1148	S1143-T1146 WeakPolarHBondContact CB-OG1 3.33Å; S1143-T1146 PolarHBondContact O-N 3.14Å; S1143-T1146 PolarHBondContact OG-N 2.91Å; S1143-T1146 PolarHBondContact OG-OG1 2.86Å; T1146-S1148 VanDerWaalsContact CB-OG 3.32Å; T1146-S1148 WeakPolarHBondContact CB-OG 3.36Å; T1146-S1148 PolarHBondContact O-N 3.42Å; T1146-S1148 PolarHBondContact OG1-OG 3.44Å
1147	S	74.9	Confident	79	Confident	73 Å²	73	51.2 Å²	51.2	51%	0.51	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	34	-171.4	-55.6	0	0	0	0	112.8	S1143 S1175 C1176	S1143-S1147 WeakPolarHBondContact O-CA 3.21Å; S1143-S1147 PolarHBondContact O-N 2.73Å; S1147-S1175 WeakPolarHBondContact O-CA 3.48Å; S1147-C1176 PolarHBondContact O-N 3.24Å
1148	S	76.5	Confident	77.9	Confident	6 Å²	6	52.8 Å²	52.8	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.3	-179.1	62.7	0	0	0	0	110.6	S1143 T1146 E1173 A1174 C1176	S1143-S1148 WeakPolarHBondContact CB-O 3.21Å; S1143-S1148 PolarHBondContact N-O 3.43Å; T1146-S1148 VanDerWaalsContact CB-OG 3.32Å; T1146-S1148 WeakPolarHBondContact CB-OG 3.36Å; T1146-S1148 PolarHBondContact O-N 3.42Å; T1146-S1148 PolarHBondContact OG1-OG 3.44Å; S1148-E1173 WeakPolarHBondContact CB-OE1 3.38Å; S1148-E1173 PolarHBondContact OG-OE1 3.45Å; S1148-A1174 CarbonylContact C-O 3.53Å; S1148-A1174 WeakPolarHBondContact CA-O 3.36Å; S1148-A1174 WeakPolarHBondContact CB-O 3.29Å; S1148-C1176 VanDerWaalsContact CA-SG 3.54Å; S1148-C1176 PolarHBondContact O-SG 3.32Å
1149	H	85.3	Confident	76.7	Confident	41 Å²	41	49.5 Å²	49.5	19%	0.19	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	155	167.3	55.2	-172.4	0	0	0	108.7	W1139 S1140 E1173 A1174 C1176	W1139-H1149 AromaticContact CD2-CD2 3.78Å; W1139-H1149 AromaticContact CD2-CE1 3.88Å; W1139-H1149 AromaticContact CD2-NE2 3.68Å; W1139-H1149 HydrophobicContact CE3-CB 4.17Å; W1139-H1149 AromaticContact CE3-CD2 3.29Å; W1139-H1149 AromaticContact CE3-CG 3.64Å; W1139-H1149 AromaticContact CE3-NE2 3.69Å; W1139-H1149 AromaticContact CG-CE1 3.84Å; W1139-H1149 AromaticContact CG-ND1 3.94Å; W1139-H1149 AromaticContact CZ3-CD2 3.63Å; W1139-H1149 VanDerWaalsContact CZ3-O 3.24Å; W1139-H1149 WeakPolarHBondContact CZ3-O 3.39Å; S1140-H1149 WeakPolarHBondContact O-CB 3.44Å; S1140-H1149 WeakPolarHBondContact OG-CA 3.29Å; H1149-E1173 WeakPolarHBondContact O-CA 3.35Å; H1149-A1174 PolarHBondContact CD2-O 3.35Å; H1149-A1174 PolarHBondContact N-O 3.13Å; H1149-A1174 PolarHBondContact O-N 3.44Å; H1149-C1176 PolarHBondContact N-SG 2.02Å
1150	I	85.1	Confident	75.1	Confident	57 Å²	57	48.2 Å²	48.2	29%	0.292	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.8	178.5	61.6	169.1	0	0	0	110.3	W1139 S1140 V1171 E1172 E1173 L1215	W1139-I1150 CarbonylContact C-O 3.59Å; S1140-I1150 WeakPolarHBondContact CB-O 3.47Å; S1140-I1150 PolarHBondContact N-O 2.76Å; S1140-I1150 PolarHBondContact OG-N 3.19Å; S1140-I1150 PolarHBondContact OG-O 2.7Å; I1150-V1171 HydrophobicContact CB-CG1 4.28Å; I1150-E1172 CarbonylContact C-O 3.59Å; I1150-E1172 WeakPolarHBondContact CA-O 3.43Å; I1150-E1173 HydrophobicContact CG2-CB 4.03Å; I1150-E1173 HydrophobicContact CG2-CG 4Å; I1150-L1215 HydrophobicContact CG1-CD1 4.49Å; I1150-L1215 VanDerWaalsContact O-CD1 3.27Å; I1150-L1215 WeakPolarHBondContact O-CD1 3.37Å
1151	R	88	Confident	73.5	Confident	62 Å²	62	53.2 Å²	53.2	23%	0.234	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.4	164.3	62.7	177.6	-176.7	-167.3	-5.2	109.2	W1136 W1139 V1171 E1172	W1136-R1151 HydrophobicContact CD2-CG 4.21Å; W1136-R1151 HydrophobicContact CE3-CB 4.3Å; W1136-R1151 HydrophobicContact CE3-CG 3.68Å; W1136-R1151 HydrophobicContact CZ3-CG 4.13Å; W1136-R1151 WeakPolarHBondContact CZ3-O 3.44Å; W1139-R1151 HydrophobicContact CD2-CB 3.97Å; W1139-R1151 HydrophobicContact CD2-CG 3.98Å; W1139-R1151 HydrophobicContact CE3-CB 3.86Å; W1139-R1151 HydrophobicContact CE3-CG 3.88Å; W1139-R1151 HydrophobicContact CG-CB 4.43Å; W1139-R1151 HydrophobicContact CH2-CG 3.82Å; W1139-R1151 HydrophobicContact CZ2-CG 3.92Å; W1139-R1151 HydrophobicContact CZ3-CB 4.22Å; W1139-R1151 HydrophobicContact CZ3-CG 3.79Å; R1151-V1171 WeakPolarHBondContact O-CA 3.48Å; R1151-E1172 HydrophobicContact CG-CB 3.99Å; R1151-E1172 IonicContact CZ-OE1 3.88Å; R1151-E1172 IonicContact CZ-OE2 3.44Å; R1151-E1172 PolarHBondContact N-O 2.84Å; R1151-E1172 IonicContact NE-OE2 3.06Å; R1151-E1172 PolarHBondContact NE-OE2 3.41Å; R1151-E1172 VanDerWaalsContact NH2-CD 3.25Å; R1151-E1172 IonicContact NH2-OE1 2.78Å; R1151-E1172 PolarHBondContact NH2-OE1 3.48Å; R1151-E1172 VanDerWaalsContact NH2-OE1 3.15Å; R1151-E1172 IonicContact NH2-OE2 2.7Å; R1151-E1172 PolarHBondContact NH2-OE2 3.06Å; R1151-E1172 PolarHBondContact O-N 2.96Å
1152	V	83.6	Confident	71.7	Confident	20 Å²	20	48.2 Å²	48.2	12%	0.121	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.9	-176	-54.7	0	0	0	0	110.7	S1137 S1170 V1171 L1210 L1215	S1137-V1152 WeakPolarHBondContact CB-O 3.39Å; S1137-V1152 PolarHBondContact N-O 3.18Å; S1137-V1152 PolarHBondContact OG-N 2.71Å; S1137-V1152 PolarHBondContact OG-O 3.4Å; V1152-S1170 CarbonylContact C-O 3.52Å; V1152-S1170 VanDerWaalsContact CA-O 3.31Å; V1152-S1170 WeakPolarHBondContact CA-O 3.43Å; V1152-V1171 HydrophobicContact CG1-CG1 4.32Å; V1152-V1171 HydrophobicContact CG1-CG2 4.04Å; V1152-L1210 HydrophobicContact CG2-CD2 4.25Å; V1152-L1215 HydrophobicContact CG1-CD2 3.97Å; V1152-L1215 HydrophobicContact CG2-CD2 3.83Å
1153	R	81.6	Confident	69.8	Low	43 Å²	43	52.1 Å²	52.1	16%	0.162	30%	0.298	C	S	.	.			trans	-139.2	161.1	169.7	63	174.7	177.3	-173.7	-0.4	108.8	W1133 W1136 P1169 S1170	W1133-R1153 HydrophobicContact CD2-CG 4.13Å; W1133-R1153 HydrophobicContact CE3-CB 4.31Å; W1133-R1153 HydrophobicContact CE3-CG 3.51Å; W1133-R1153 HydrophobicContact CZ3-CG 3.86Å; W1136-R1153 HydrophobicContact CD2-CB 3.87Å; W1136-R1153 HydrophobicContact CD2-CG 3.89Å; W1136-R1153 VanDerWaalsContact CE2-CD 3.44Å; W1136-R1153 HydrophobicContact CE3-CB 3.65Å; W1136-R1153 HydrophobicContact CE3-CG 3.67Å; W1136-R1153 HydrophobicContact CG-CB 4.37Å; W1136-R1153 HydrophobicContact CH2-CG 3.69Å; W1136-R1153 VanDerWaalsContact CZ2-CD 3.46Å; W1136-R1153 HydrophobicContact CZ2-CG 3.92Å; W1136-R1153 VanDerWaalsContact CZ2-CZ 3.45Å; W1136-R1153 HydrophobicContact CZ3-CB 4.04Å; W1136-R1153 HydrophobicContact CZ3-CG 3.57Å; R1153-P1169 PolarHBondContact NE-O 2.8Å; R1153-P1169 PolarHBondContact NH2-O 3.04Å; R1153-S1170 PolarHBondContact N-O 3.24Å
1154	M	77.9	Confident	68.2	Low	37 Å²	37	52.3 Å²	52.3	18%	0.182	30%	0.303	C	S	.	.			trans	-123.3	156.1	179.1	69.8	-175.7	-54.8	0	0	114	W1133 S1134 I1156 F1208 L1210	W1133-M1154 CarbonylContact C-O 3.33Å; W1133-M1154 WeakPolarHBondContact CA-O 3.25Å; S1134-M1154 PolarHBondContact N-O 2.97Å; S1134-M1154 PolarHBondContact OG-N 3.13Å; S1134-M1154 PolarHBondContact OG-O 3.5Å; M1154-I1156 HydrophobicContact CG-CG1 4.44Å; M1154-I1156 PolarHBondContact O-N 3.14Å; M1154-F1208 HydrophobicContact CE-CB 3.94Å; M1154-F1208 HydrophobicContact CE-CD1 3.99Å; M1154-F1208 HydrophobicContact CE-CD2 2.94Å; M1154-F1208 HydrophobicContact CE-CE1 4.23Å; M1154-F1208 HydrophobicContact CE-CE2 3.21Å; M1154-F1208 HydrophobicContact CE-CG 3.34Å; M1154-F1208 HydrophobicContact CE-CZ 3.86Å; M1154-F1208 HydrophobicContact CG-CE2 4.15Å; M1154-F1208 HydrophobicContact SD-CD2 3.14Å; M1154-F1208 WeakPolarHBondContact SD-CD2 3.19Å; M1154-F1208 HydrophobicContact SD-CE2 3.11Å; M1154-F1208 WeakPolarHBondContact SD-CE2 3.18Å; M1154-F1208 HydrophobicContact SD-CG 4.16Å; M1154-F1208 HydrophobicContact SD-CZ 4.15Å; M1154-L1210 HydrophobicContact CB-CD1 3.83Å; M1154-L1210 HydrophobicContact CB-CD2 4.2Å; M1154-L1210 HydrophobicContact CB-CG 4.27Å; M1154-L1210 HydrophobicContact CG-CD1 3.6Å; M1154-L1210 HydrophobicContact CG-CG 4.32Å; M1154-L1210 HydrophobicContact SD-CD1 3.37Å; M1154-L1210 WeakPolarHBondContact SD-CD1 2.98Å; M1154-L1210 HydrophobicContact SD-CD2 4.49Å; M1154-L1210 HydrophobicContact SD-CG 3.67Å
1155	C	69	Low	67.1	Low	36 Å²	36	58.8 Å²	58.8	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.2	173.8	-169.2	0	0	0	0	110	P1131 W1133 C1166	P1131-C1155 WeakPolarHBondContact CB-SG 3.31Å; W1133-C1155 HydrophobicContact CE3-CB 4.42Å; W1133-C1155 HydrophobicContact CZ3-CB 4.21Å; C1155-C1166 WeakPolarHBondContact CA-SG 3.32Å; C1155-C1166 HydrophobicContact CB-CB 3.68Å; C1155-C1166 WeakPolarHBondContact CB-SG 3.44Å; C1155-C1166 WeakPolarHBondContact SG-CB 3.32Å; C1155-C1166 PolarHBondContact SG-N 3.48Å; C1155-C1166 CovalentContact SG-SG 2.04Å; C1155-C1166 PolarHBondContact SG-SG 3.38Å
1156	I	71.2	Confident	66.8	Low	53 Å²	53	54.2 Å²	54.2	27%	0.272	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.4	177.8	-58	179.3	0	0	0	108.5	P1131 T1132 M1154 F1208	P1131-I1156 VanDerWaalsContact CA-O 3.26Å; P1131-I1156 WeakPolarHBondContact CA-O 3.2Å; T1132-I1156 PolarHBondContact N-O 3.39Å; T1132-I1156 WeakPolarHBondContact O-CA 3.37Å; T1132-I1156 WeakPolarHBondContact O-CB 3.4Å; T1132-I1156 PolarHBondContact O-N 3.28Å; M1154-I1156 HydrophobicContact CG-CG1 4.44Å; M1154-I1156 PolarHBondContact O-N 3.14Å; I1156-F1208 HydrophobicContact CB-CZ 4.2Å; I1156-F1208 HydrophobicContact CG1-CE2 4.35Å; I1156-F1208 HydrophobicContact CG1-CZ 3.95Å; I1156-F1208 HydrophobicContact CG2-CZ 4.05Å
1157	V	65	Low	65.5	Low	43 Å²	43	58 Å²	58	26%	0.261	33%	0.326	S	S	.	.			trans	-107.8	101.2	175.2	-177.3	0	0	0	0	108.7	P1131 D1159	P1131-V1157 HydrophobicContact CB-CG2 4.17Å; P1131-V1157 HydrophobicContact CG-CG2 4.27Å; V1157-D1159 VanDerWaalsContact CG1-O 3.24Å; V1157-D1159 WeakPolarHBondContact CG1-O 3.44Å
1158	S	63.7	Low	64.4	Low	52 Å²	52	56.9 Å²	56.9	36%	0.364	33%	0.326	S	S	.	.	S	Bend	trans	-72.9	-32	-177.7	-40.6	0	0	0	0	112.9
1159	D	61.2	Low	63.4	Low	26 Å²	26	60.4 Å²	60.4	14%	0.139	35%	0.348	C	S	.	.			trans	-120.7	111.8	178.7	-172.1	-10.7	0	0	0	109.7	V1157 Q1161 T1162	V1157-D1159 VanDerWaalsContact CG1-O 3.24Å; V1157-D1159 WeakPolarHBondContact CG1-O 3.44Å; D1159-Q1161 PolarHBondContact O-N 3Å; D1159-Q1161 WeakPolarHBondContact OD1-CB 3.21Å; D1159-Q1161 PolarHBondContact OD1-N 3.45Å; D1159-T1162 HydrophobicContact CB-CG2 4.26Å; D1159-T1162 PolarHBondContact O-N 2.95Å; D1159-T1162 PolarHBondContact O-OG1 2.94Å
1160	V	51.9	Low	62.8	Low	56 Å²	56	61.4 Å²	61.4	34%	0.339	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.9	-179.2	-171	0	0	0	0	111.9	T1198 L1206	V1160-T1198 HydrophobicContact CB-CG2 3.85Å; V1160-T1198 HydrophobicContact CG1-CG2 3.77Å; V1160-T1198 HydrophobicContact CG2-CG2 4.13Å; V1160-L1206 HydrophobicContact CG1-CD2 4.12Å; V1160-L1206 HydrophobicContact CG2-CD2 3.84Å; V1160-L1206 HydrophobicContact CG2-CG 4.15Å
1161	Q	49.6	Very low	62.4	Low	118 Å²	118	62.2 Å²	62.2	55%	0.551	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.1	175.2	-59.9	-167.3	-6.9	0	0	113.7	D1159 A1163 T1198	D1159-Q1161 PolarHBondContact O-N 3Å; D1159-Q1161 WeakPolarHBondContact OD1-CB 3.21Å; D1159-Q1161 PolarHBondContact OD1-N 3.45Å; Q1161-A1163 PolarHBondContact O-N 2.89Å; Q1161-T1198 PolarHBondContact NE2-O 2.97Å
1162	T	45.4	Very low	62	Low	22 Å²	22	61.9 Å²	61.9	14%	0.135	37%	0.369	C	S	.	.			trans	-80.5	105.4	176	47.4	0	0	0	0	111.5	F1128 D1159 G1164	F1128-T1162 HydrophobicContact CB-CG2 4.28Å; F1128-T1162 HydrophobicContact CD1-CG2 3.81Å; D1159-T1162 HydrophobicContact CB-CG2 4.26Å; D1159-T1162 PolarHBondContact O-N 2.95Å; D1159-T1162 PolarHBondContact O-OG1 2.94Å; T1162-G1164 VanDerWaalsContact C-N 3.32Å; T1162-G1164 PolarHBondContact O-N 3.01Å
1163	A	42.4	Very low	61.7	Low	100 Å²	100	66.8 Å²	66.8	83%	0.826	39%	0.39	S	S	*	.			trans	-75.5	82.7	168.1	0	0	0	0	0	109.8	Q1161	Q1161-A1163 PolarHBondContact O-N 2.89Å
1164	G	45.6	Very low	61.3	Low	26 Å²	26	66.4 Å²	66.4	27%	0.268	40%	0.396	S	S	.	.			trans	-139.8	156.2	174.2	0	0	0	0	0	111.3	P1131 T1162	P1131-G1164 WeakPolarHBondContact CG-O 3.35Å; T1162-G1164 VanDerWaalsContact C-N 3.32Å; T1162-G1164 PolarHBondContact O-N 3.01Å
1165	F	50.8	Low	61.2	Low	163 Å²	163	70.1 Å²	70.1	72%	0.715	43%	0.426	S	S	*	.			trans	-122.4	150.1	171.1	-56.1	-88	0	0	0	108.9
1166	C	59.4	Low	61.7	Low	20 Å²	20	69.6 Å²	69.6	14%	0.135	42%	0.422	C	S	.	.			trans	-76	134.5	175.1	-59.8	0	0	0	0	109.9	W1133 C1155	W1133-C1166 HydrophobicContact CD2-CB 3.56Å; W1133-C1166 HydrophobicContact CE3-CB 4.09Å; W1133-C1166 HydrophobicContact CG-CB 4.04Å; W1133-C1166 HydrophobicContact CH2-CB 3.96Å; W1133-C1166 HydrophobicContact CZ2-CB 3.4Å; W1133-C1166 VanDerWaalsContact CZ2-CB 3.4Å; W1133-C1166 WeakPolarHBondContact CZ2-O 3.28Å; W1133-C1166 HydrophobicContact CZ3-CB 4.28Å; C1155-C1166 WeakPolarHBondContact CA-SG 3.32Å; C1155-C1166 HydrophobicContact CB-CB 3.68Å; C1155-C1166 WeakPolarHBondContact CB-SG 3.44Å; C1155-C1166 WeakPolarHBondContact SG-CB 3.32Å; C1155-C1166 PolarHBondContact SG-N 3.48Å; C1155-C1166 CovalentContact SG-SG 2.04Å; C1155-C1166 PolarHBondContact SG-SG 3.38Å
1167	L	47.8	Very low	62.1	Low	164 Å²	164	75 Å²	75	86%	0.859	45%	0.451	S	S	*	.	S	Bend	trans	-82.9	132.1	178.7	-69.4	168.9	0	0	0	111.1	W1133	W1133-L1167 PolarHBondContact NE1-O 2.99Å
1168	G	51.7	Low	62.3	Low	49 Å²	49	75 Å²	75	51%	0.505	46%	0.456	S	S	.	.	S	Bend	trans	114.9	174.6	179.7	0	0	0	0	0	113.1	W1133	W1133-G1168 VanDerWaalsContact CZ2-O 3.24Å; W1133-G1168 WeakPolarHBondContact CZ2-O 3.35Å
1169	P	55.6	Low	62.6	Low	80 Å²	80	81.9 Å²	81.9	52%	0.519	48%	0.482	S	S	.	.			trans	-73.3	145.4	-178.7	29.8	-35	0	0	0	111.4	R1153 V1171	R1153-P1169 PolarHBondContact NE-O 2.8Å; R1153-P1169 PolarHBondContact NH2-O 3.04Å; P1169-V1171 WeakPolarHBondContact CB-O 3.27Å
1170	S	71.5	Confident	63.1	Low	63 Å²	63	83.6 Å²	83.6	44%	0.441	49%	0.494	S	S	.	.	S	Bend	trans	-85.9	-14.4	169.9	52.3	0	0	0	0	112.9	V1152 R1153	V1152-S1170 CarbonylContact C-O 3.52Å; V1152-S1170 VanDerWaalsContact CA-O 3.31Å; V1152-S1170 WeakPolarHBondContact CA-O 3.43Å; R1153-S1170 PolarHBondContact N-O 3.24Å
1171	V	77.4	Confident	64.3	Low	73 Å²	73	84.3 Å²	84.3	44%	0.442	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.6	-179.6	-174.8	0	0	0	0	109.1	I1150 R1151 V1152 P1169	I1150-V1171 HydrophobicContact CB-CG1 4.28Å; R1151-V1171 WeakPolarHBondContact O-CA 3.48Å; V1152-V1171 HydrophobicContact CG1-CG1 4.32Å; V1152-V1171 HydrophobicContact CG1-CG2 4.04Å; P1169-V1171 WeakPolarHBondContact CB-O 3.27Å
1172	E	79.6	Confident	65.8	Low	56 Å²	56	83 Å²	83	26%	0.262	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.2	174.2	-171.3	-179.8	172.2	0	0	109.1	W1136 W1139 I1150 R1151	W1136-E1172 HydrophobicContact CH2-CB 3.74Å; W1136-E1172 HydrophobicContact CZ2-CB 4.29Å; W1136-E1172 HydrophobicContact CZ3-CB 3.97Å; W1139-E1172 HydrophobicContact CH2-CB 4.35Å; W1139-E1172 HydrophobicContact CH2-CG 3.99Å; W1139-E1172 WeakPolarHBondContact CZ3-O 3.4Å; I1150-E1172 CarbonylContact C-O 3.59Å; I1150-E1172 WeakPolarHBondContact CA-O 3.43Å; R1151-E1172 HydrophobicContact CG-CB 3.99Å; R1151-E1172 IonicContact CZ-OE1 3.88Å; R1151-E1172 IonicContact CZ-OE2 3.44Å; R1151-E1172 PolarHBondContact N-O 2.84Å; R1151-E1172 IonicContact NE-OE2 3.06Å; R1151-E1172 PolarHBondContact NE-OE2 3.41Å; R1151-E1172 VanDerWaalsContact NH2-CD 3.25Å; R1151-E1172 IonicContact NH2-OE1 2.78Å; R1151-E1172 PolarHBondContact NH2-OE1 3.48Å; R1151-E1172 VanDerWaalsContact NH2-OE1 3.15Å; R1151-E1172 IonicContact NH2-OE2 2.7Å; R1151-E1172 PolarHBondContact NH2-OE2 3.06Å; R1151-E1172 PolarHBondContact O-N 2.96Å
1173	E	76.8	Confident	67.7	Low	123 Å²	123	86.1 Å²	86.1	58%	0.575	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.8	-178.2	-175.5	174.9	-171.6	0	0	110.1	S1148 H1149 I1150	S1148-E1173 WeakPolarHBondContact CB-OE1 3.38Å; S1148-E1173 PolarHBondContact OG-OE1 3.45Å; H1149-E1173 WeakPolarHBondContact O-CA 3.35Å; I1150-E1173 HydrophobicContact CG2-CB 4.03Å; I1150-E1173 HydrophobicContact CG2-CG 4Å
1174	A	74.5	Confident	69.7	Low	35 Å²	35	82.1 Å²	82.1	29%	0.289	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.3	176	0	0	0	0	0	111.2	W1139 S1148 H1149	W1139-A1174 HydrophobicContact CH2-CB 3.56Å; W1139-A1174 HydrophobicContact CZ2-CB 4.13Å; W1139-A1174 HydrophobicContact CZ3-CB 3.93Å; S1148-A1174 CarbonylContact C-O 3.53Å; S1148-A1174 WeakPolarHBondContact CA-O 3.36Å; S1148-A1174 WeakPolarHBondContact CB-O 3.29Å; H1149-A1174 PolarHBondContact CD2-O 3.35Å; H1149-A1174 PolarHBondContact N-O 3.13Å; H1149-A1174 PolarHBondContact O-N 3.44Å
1175	S	75.1	Confident	71.7	Confident	114 Å²	114	85 Å²	85	80%	0.797	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.7	179.1	-49.8	0	0	0	0	111.9	S1147	S1147-S1175 WeakPolarHBondContact O-CA 3.48Å
1176	C	79.8	Confident	73.3	Confident	25 Å²	25	77.9 Å²	77.9	17%	0.169	47%	0.465	C	S	.	.			trans	-147.1	167.5	177.8	58.5	0	0	0	0	111.4	C1142 S1147 S1148 H1149	C1142-C1176 WeakPolarHBondContact CA-SG 3.1Å; C1142-C1176 HydrophobicContact CB-CB 3.86Å; C1142-C1176 WeakPolarHBondContact CB-SG 3.18Å; C1142-C1176 WeakPolarHBondContact SG-CB 3.43Å; C1142-C1176 PolarHBondContact SG-O 3.36Å; C1142-C1176 VanDerWaalsContact SG-O 3.34Å; C1142-C1176 CovalentContact SG-SG 2.02Å; C1142-C1176 PolarHBondContact SG-SG 2.8Å; S1147-C1176 PolarHBondContact O-N 3.24Å; S1148-C1176 VanDerWaalsContact CA-SG 3.54Å; S1148-C1176 PolarHBondContact O-SG 3.32Å; H1149-C1176 PolarHBondContact N-SG 2.02Å
1177	L	78.1	Confident	74.7	Confident	166 Å²	166	77.8 Å²	77.8	87%	0.869	47%	0.467	S	S	*	.			trans	-113.8	120.8	173.1	-71.9	164.4	0	0	0	109
1178	A	70.7	Confident	76.7	Confident	45 Å²	45	72.8 Å²	72.8	37%	0.372	44%	0.437	S	S	.	.			trans	-82.5	124.9	-177.6	0	0	0	0	0	111.4	C1142 C1144	C1142-A1178 HydrophobicContact CB-CB 3.78Å; C1144-A1178 HydrophobicContact CB-CB 3.87Å
1179	E	68.8	Low	78.3	Confident	196 Å²	196	71.6 Å²	71.6	92%	0.916	42%	0.422	S	S	*	.	S	Bend	trans	-74.7	-38.1	171.8	-66.6	-178.4	172.5	0	0	112
1180	T	72.8	Confident	79.8	Confident	62 Å²	62	75.6 Å²	75.6	38%	0.38	44%	0.438	S	S	.	.			trans	-142.9	143.3	-177.2	60.9	0	0	0	0	111	R1141	R1141-T1180 PolarHBondContact NH1-OG1 3.33Å
1181	C	77.6	Confident	80.4	Confident	70 Å²	70	76 Å²	76	47%	0.473	43%	0.43	S	S	.	.			trans	-95.6	21.7	179.7	-82.6	0	0	0	0	114.3	C1144	C1144-C1181 HydrophobicContact CB-CB 4.23Å; C1144-C1181 WeakPolarHBondContact CB-SG 3.03Å; C1144-C1181 WeakPolarHBondContact SG-CB 3.31Å; C1144-C1181 CovalentContact SG-SG 2.03Å; C1144-C1181 PolarHBondContact SG-SG 3Å
1182	D	81.2	Confident	80.4	Confident	91 Å²	91	73.9 Å²	73.9	49%	0.487	42%	0.419	S	S	.	.			trans	-63.5	135.9	-177.4	-56.9	-37.4	0	0	0	110.4	V1184 N1218	D1182-V1184 PolarHBondContact O-N 3.41Å; D1182-N1218 PolarHBondContact O-ND2 2.98Å
1183	P	83.5	Confident	80.5	Confident	87 Å²	87	79.5 Å²	79.5	57%	0.565	45%	0.445	S	S	*	.			trans	-55.2	131	171.7	-24.1	33.3	0	0	0	110.6	N1218	P1183-N1218 WeakPolarHBondContact CA-O 2.97Å; P1183-N1218 WeakPolarHBondContact CB-O 3.4Å
1184	V	84.6	Confident	80.6	Confident	16 Å²	16	77 Å²	77	10%	0.097	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-112.5	103.8	175.4	-177.5	0	0	0	0	107	R1141 D1182 P1214 P1216 A1217 G1220	R1141-V1184 HydrophobicContact CB-CG2 4.12Å; R1141-V1184 HydrophobicContact CG-CG2 3.96Å; D1182-V1184 PolarHBondContact O-N 3.41Å; V1184-P1214 HydrophobicContact CG1-CB 4.01Å; V1184-P1214 HydrophobicContact CG1-CG 3.69Å; V1184-P1216 CarbonylContact O-C 3.57Å; V1184-P1216 WeakPolarHBondContact O-CA 3.08Å; V1184-A1217 HydrophobicContact CB-CB 4.2Å; V1184-A1217 HydrophobicContact CG2-CB 4.47Å; V1184-A1217 PolarHBondContact N-O 3.12Å; V1184-A1217 PolarHBondContact O-N 2.89Å; V1184-G1220 WeakPolarHBondContact O-CA 3.41Å
1185	D	87.9	Confident	80.5	Confident	86 Å²	86	76 Å²	76	46%	0.46	42%	0.421	S	S	.	.			trans	-65.3	139.3	172.6	-70.5	-7	0	0	0	109.6	G1220 N1221	D1185-G1220 VanDerWaalsContact OD1-CA 3.29Å; D1185-G1220 WeakPolarHBondContact OD1-CA 3.32Å; D1185-N1221 HydrophobicContact CB-CB 4.46Å; D1185-N1221 PolarHBondContact OD1-N 2.99Å; D1185-N1221 PolarHBondContact OD1-ND2 2.71Å; D1185-N1221 PolarHBondContact OD2-ND2 3.23Å
1186	G	85.9	Confident	80.4	Confident	15 Å²	15	74.2 Å²	74.2	16%	0.155	41%	0.409	C	S	.	.			trans	-68.2	137	179.2	0	0	0	0	0	111.8	P1214 N1221 C1223	G1186-P1214 WeakPolarHBondContact CA-O 3.39Å; G1186-N1221 PolarHBondContact N-O 3.48Å; G1186-C1223 PolarHBondContact O-SG 3.26Å
1187	G	88.4	Confident	79.9	Confident	17 Å²	17	75.7 Å²	75.7	18%	0.175	42%	0.418	C	S	.	.			trans	-115	148.6	172.3	0	0	0	0	0	112.7	C1211 S1212 D1213 P1214 C1223	G1187-C1211 CarbonylContact O-C 3.29Å; G1187-C1211 WeakPolarHBondContact O-CA 3.24Å; G1187-S1212 PolarHBondContact O-N 2.73Å; G1187-D1213 CarbonylContact C-O 3.54Å; G1187-D1213 VanDerWaalsContact C-O 3.31Å; G1187-D1213 WeakPolarHBondContact CA-O 3.29Å; G1187-D1213 CarbonylContact O-C 3.51Å; G1187-D1213 PolarHBondContact O-N 2.68Å; G1187-P1214 PolarHBondContact N-O 2.98Å; G1187-C1223 PolarHBondContact N-SG 2.9Å; G1187-C1223 VanDerWaalsContact N-SG 3.4Å; G1187-C1223 PolarHBondContact O-SG 2.92Å
1188	W	88.9	Confident	79.2	Confident	59 Å²	59	70.4 Å²	70.4	22%	0.223	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-79.5	128.4	179.6	-74.9	114.3	0	0	0	111.4	R1209 L1210 C1211 C1223 A1224 G1225 A1227	W1188-R1209 HydrophobicContact CD2-CG 4.03Å; W1188-R1209 HydrophobicContact CE3-CB 4.11Å; W1188-R1209 HydrophobicContact CE3-CG 3.51Å; W1188-R1209 HydrophobicContact CZ3-CG 3.98Å; W1188-R1209 WeakPolarHBondContact CZ3-O 3.26Å; W1188-L1210 WeakPolarHBondContact CA-O 2.75Å; W1188-C1211 HydrophobicContact CE3-CB 4.21Å; W1188-C1211 HydrophobicContact CH2-CB 4.26Å; W1188-C1211 HydrophobicContact CZ3-CB 3.94Å; W1188-C1223 HydrophobicContact CD2-CB 3.85Å; W1188-C1223 HydrophobicContact CE3-CB 4.47Å; W1188-C1223 HydrophobicContact CG-CB 4.24Å; W1188-C1223 HydrophobicContact CH2-CB 4.15Å; W1188-C1223 HydrophobicContact CZ2-CB 3.5Å; W1188-C1223 VanDerWaalsContact CZ2-CB 3.5Å; W1188-A1224 PolarHBondContact NE1-O 2.93Å; W1188-G1225 VanDerWaalsContact CZ2-O 3.29Å; W1188-G1225 WeakPolarHBondContact CZ2-O 3.41Å; W1188-A1227 HydrophobicContact CH2-CB 3.67Å; W1188-A1227 HydrophobicContact CZ3-CB 3.84Å
1189	A	85.6	Confident	78.5	Confident	24 Å²	24	70.3 Å²	70.3	20%	0.198	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-64.4	166.3	163.7	0	0	0	0	0	111.4	L1210 D1213	A1189-L1210 HydrophobicContact CB-CB 4.41Å; A1189-L1210 PolarHBondContact N-O 2.7Å; A1189-D1213 HydrophobicContact CB-CB 4.36Å
1190	L	87.1	Confident	78.2	Confident	164 Å²	164	65.6 Å²	65.6	86%	0.859	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-56.9	143.8	173.3	-66.8	174.4	0	0	0	110.9
1191	W	83.6	Confident	77.5	Confident	73 Å²	73	65.9 Å²	65.9	28%	0.277	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.1	143.7	171.4	-73.6	98.4	0	0	0	110.7	R1207 F1208 R1209	W1191-R1207 HydrophobicContact CD2-CG 4.22Å; W1191-R1207 HydrophobicContact CE3-CB 4.2Å; W1191-R1207 HydrophobicContact CE3-CG 3.57Å; W1191-R1207 HydrophobicContact CZ3-CG 4.04Å; W1191-R1207 WeakPolarHBondContact CZ3-O 3.27Å; W1191-F1208 CarbonylContact C-O 3.22Å; W1191-F1208 WeakPolarHBondContact CA-O 3.39Å; W1191-R1209 HydrophobicContact CD2-CB 4.04Å; W1191-R1209 HydrophobicContact CD2-CG 3.94Å; W1191-R1209 VanDerWaalsContact CE2-CD 3.45Å; W1191-R1209 HydrophobicContact CE3-CB 4Å; W1191-R1209 HydrophobicContact CE3-CG 3.85Å; W1191-R1209 HydrophobicContact CG-CB 4.44Å; W1191-R1209 HydrophobicContact CH2-CG 3.77Å; W1191-R1209 VanDerWaalsContact CZ2-CD 3.46Å; W1191-R1209 HydrophobicContact CZ2-CG 3.87Å; W1191-R1209 HydrophobicContact CZ3-CB 4.37Å; W1191-R1209 HydrophobicContact CZ3-CG 3.77Å
1192	S	78.8	Confident	76.6	Confident	28 Å²	28	65.3 Å²	65.3	20%	0.196	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.2	162	166.2	75.2	0	0	0	0	111.5	R1207 F1208	S1192-R1207 WeakPolarHBondContact OG-CA 3.21Å; S1192-F1208 PolarHBondContact N-O 3.21Å; S1192-F1208 PolarHBondContact OG-N 2.79Å
1193	E	80.3	Confident	76.1	Confident	173 Å²	173	61.1 Å²	61.1	81%	0.808	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-54.9	148.2	160.7	-65.9	-56.4	138.8	0	0	110.2
1194	W	78.9	Confident	75.4	Confident	72 Å²	72	62.2 Å²	62.2	27%	0.273	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-65.6	137.6	174.2	-76.2	101.3	0	0	0	110.4	K1205 L1206 R1207 S1229 E1231	W1194-K1205 HydrophobicContact CB-CD 4Å; W1194-K1205 HydrophobicContact CD2-CD 3.71Å; W1194-K1205 HydrophobicContact CD2-CG 4.08Å; W1194-K1205 HydrophobicContact CE3-CB 3.92Å; W1194-K1205 HydrophobicContact CE3-CD 3.71Å; W1194-K1205 HydrophobicContact CE3-CG 3.52Å; W1194-K1205 HydrophobicContact CG-CD 3.86Å; W1194-K1205 HydrophobicContact CZ3-CD 4.41Å; W1194-K1205 HydrophobicContact CZ3-CG 3.95Å; W1194-K1205 WeakPolarHBondContact CZ3-O 3.32Å; W1194-L1206 VanDerWaalsContact CE3-C 3.41Å; W1194-R1207 HydrophobicContact CD2-CB 3.98Å; W1194-R1207 HydrophobicContact CD2-CG 3.9Å; W1194-R1207 VanDerWaalsContact CE2-CD 3.44Å; W1194-R1207 HydrophobicContact CE3-CB 3.88Å; W1194-R1207 HydrophobicContact CE3-CG 3.81Å; W1194-R1207 HydrophobicContact CG-CB 4.45Å; W1194-R1207 HydrophobicContact CH2-CG 3.72Å; W1194-R1207 VanDerWaalsContact CZ2-CD 3.48Å; W1194-R1207 HydrophobicContact CZ2-CG 3.82Å; W1194-R1207 HydrophobicContact CZ3-CB 4.24Å; W1194-R1207 HydrophobicContact CZ3-CG 3.72Å; W1194-S1229 WeakPolarHBondContact CZ3-O 3.34Å; W1194-E1231 HydrophobicContact CH2-CB 3.49Å; W1194-E1231 VanDerWaalsContact CH2-CB 3.49Å; W1194-E1231 HydrophobicContact CZ2-CB 4.13Å; W1194-E1231 VanDerWaalsContact CZ2-OE2 3.31Å; W1194-E1231 WeakPolarHBondContact CZ2-OE2 3.44Å; W1194-E1231 HydrophobicContact CZ3-CB 3.8Å
1195	S	72.6	Confident	75.1	Confident	12 Å²	12	63.6 Å²	63.6	8%	0.084	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-60	161.6	169.5	78.4	0	0	0	0	111.2	K1205 L1206	S1195-K1205 WeakPolarHBondContact O-CB 3.43Å; S1195-L1206 WeakPolarHBondContact CB-O 3.15Å; S1195-L1206 PolarHBondContact N-O 2.74Å; S1195-L1206 PolarHBondContact OG-N 3.16Å; S1195-L1206 PolarHBondContact OG-O 3.06Å
1196	S	73.3	Confident	74.5	Confident	78 Å²	78	61.8 Å²	61.8	55%	0.545	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-57.6	147.5	163.6	-65.4	0	0	0	0	110.4	T1198	S1196-T1198 PolarHBondContact O-N 2.84Å
1197	C	69.7	Low	74.3	Confident	55 Å²	55	64.5 Å²	64.5	37%	0.372	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.5	133	175.1	-65.1	0	0	0	0	110.5	A1199 C1233	C1197-A1199 WeakPolarHBondContact CB-O 3.32Å; C1197-A1199 PolarHBondContact O-N 3.46Å; C1197-A1199 VanDerWaalsContact O-N 3.15Å; C1197-C1233 HydrophobicContact CB-CB 3.78Å; C1197-C1233 WeakPolarHBondContact CB-SG 3.21Å; C1197-C1233 WeakPolarHBondContact SG-CB 3.28Å; C1197-C1233 CovalentContact SG-SG 2.02Å; C1197-C1233 PolarHBondContact SG-SG 2.95Å
1198	T	62.3	Low	73.9	Confident	55 Å²	55	65 Å²	65	34%	0.337	36%	0.362	S	S	.	.	S	Bend	trans	-60.6	-24.8	178.3	54.9	0	0	0	0	113.6	V1160 Q1161 S1196 G1203 K1204	V1160-T1198 HydrophobicContact CB-CG2 3.85Å; V1160-T1198 HydrophobicContact CG1-CG2 3.77Å; V1160-T1198 HydrophobicContact CG2-CG2 4.13Å; Q1161-T1198 PolarHBondContact NE2-O 2.97Å; S1196-T1198 PolarHBondContact O-N 2.84Å; T1198-G1203 WeakPolarHBondContact OG1-CA 3.22Å; T1198-K1204 WeakPolarHBondContact CG2-O 3.34Å; T1198-K1204 PolarHBondContact N-O 2.68Å; T1198-K1204 PolarHBondContact OG1-N 2.99Å; T1198-K1204 PolarHBondContact OG1-O 2.94Å
1199	A	57.5	Low	73.7	Confident	43 Å²	43	64.7 Å²	64.7	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-148	154.2	175.2	0	0	0	0	0	110.8	C1197 C1201	C1197-A1199 WeakPolarHBondContact CB-O 3.32Å; C1197-A1199 PolarHBondContact O-N 3.46Å; C1197-A1199 VanDerWaalsContact O-N 3.15Å; A1199-C1201 VanDerWaalsContact C-N 3.33Å; A1199-C1201 PolarHBondContact O-N 2.85Å
1200	S	61.8	Low	73.5	Confident	97 Å²	97	65.7 Å²	65.7	68%	0.678	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.8	-179.1	29	0	0	0	0	114.1	Q1236	S1200-Q1236 WeakPolarHBondContact O-CB 3.49Å
1201	C	57.3	Low	73.5	Confident	69 Å²	69	58.6 Å²	58.6	47%	0.466	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	133.9	170.4	174.2	0	0	0	0	108.6	A1199 G1203 C1237	A1199-C1201 VanDerWaalsContact C-N 3.33Å; A1199-C1201 PolarHBondContact O-N 2.85Å; C1201-G1203 PolarHBondContact O-N 2.94Å; C1201-C1237 HydrophobicContact CB-CB 4.3Å; C1201-C1237 WeakPolarHBondContact CB-SG 3.4Å; C1201-C1237 WeakPolarHBondContact SG-CB 3.31Å; C1201-C1237 CovalentContact SG-SG 2.07Å; C1201-C1237 PolarHBondContact SG-SG 3.47Å
1202	G	59.9	Low	73.5	Confident	58 Å²	58	55.8 Å²	55.8	60%	0.598	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	8.7	-177.1	0	0	0	0	0	115.1	C1233	G1202-C1233 PolarHBondContact N-O 3.09Å
1203	G	69.7	Low	73.8	Confident	2 Å²	2	59.7 Å²	59.7	2%	0.021	34%	0.337	C	S	.	.			trans	-70.9	172.2	174.8	0	0	0	0	0	112.7	T1198 C1201 C1233	T1198-G1203 WeakPolarHBondContact OG1-CA 3.22Å; C1201-G1203 PolarHBondContact O-N 2.94Å; G1203-C1233 PolarHBondContact O-N 3.1Å
1204	K	69.2	Low	74.1	Confident	111 Å²	111	54.6 Å²	54.6	48%	0.483	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.4	173.8	-69.2	177.9	173.9	-171.3	0	109.1	T1198 I1230 E1231 N1232	T1198-K1204 WeakPolarHBondContact CG2-O 3.34Å; T1198-K1204 PolarHBondContact N-O 2.68Å; T1198-K1204 PolarHBondContact OG1-N 2.99Å; T1198-K1204 PolarHBondContact OG1-O 2.94Å; K1204-I1230 HydrophobicContact CB-CG2 3.86Å; K1204-I1230 HydrophobicContact CD-CG2 3.77Å; K1204-I1230 HydrophobicContact CG-CG2 4.1Å; K1204-E1231 CarbonylContact C-O 3.49Å; K1204-E1231 VanDerWaalsContact CA-O 3.31Å; K1204-E1231 WeakPolarHBondContact CA-O 3.24Å; K1204-N1232 WeakPolarHBondContact CG-OD1 3.38Å
1205	K	78.1	Confident	74.5	Confident	45 Å²	45	51.7 Å²	51.7	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.7	164.2	55.4	173.9	-170.9	165.8	0	107.7	W1194 S1195 I1230 E1231	W1194-K1205 HydrophobicContact CB-CD 4Å; W1194-K1205 HydrophobicContact CD2-CD 3.71Å; W1194-K1205 HydrophobicContact CD2-CG 4.08Å; W1194-K1205 HydrophobicContact CE3-CB 3.92Å; W1194-K1205 HydrophobicContact CE3-CD 3.71Å; W1194-K1205 HydrophobicContact CE3-CG 3.52Å; W1194-K1205 HydrophobicContact CG-CD 3.86Å; W1194-K1205 HydrophobicContact CZ3-CD 4.41Å; W1194-K1205 HydrophobicContact CZ3-CG 3.95Å; W1194-K1205 WeakPolarHBondContact CZ3-O 3.32Å; S1195-K1205 WeakPolarHBondContact O-CB 3.43Å; K1205-I1230 WeakPolarHBondContact O-CA 3.36Å; K1205-E1231 VanDerWaalsContact CE-CD 3.45Å; K1205-E1231 WeakPolarHBondContact CE-OE2 3.16Å; K1205-E1231 HydrophobicContact CG-CB 4.18Å; K1205-E1231 WeakPolarHBondContact CG-O 3.4Å; K1205-E1231 PolarHBondContact N-O 3.31Å; K1205-E1231 IonicContact NZ-OE1 3.34Å; K1205-E1231 IonicContact NZ-OE2 2.68Å; K1205-E1231 PolarHBondContact NZ-OE2 2.69Å; K1205-E1231 PolarHBondContact O-N 3.15Å
1206	L	75.2	Confident	75.1	Confident	47 Å²	47	53 Å²	53	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.1	178.3	59.7	90.6	0	0	0	110.6	V1160 W1194 S1195 S1229 I1230	V1160-L1206 HydrophobicContact CG1-CD2 4.12Å; V1160-L1206 HydrophobicContact CG2-CD2 3.84Å; V1160-L1206 HydrophobicContact CG2-CG 4.15Å; W1194-L1206 VanDerWaalsContact CE3-C 3.41Å; S1195-L1206 WeakPolarHBondContact CB-O 3.15Å; S1195-L1206 PolarHBondContact N-O 2.74Å; S1195-L1206 PolarHBondContact OG-N 3.16Å; S1195-L1206 PolarHBondContact OG-O 3.06Å; L1206-S1229 CarbonylContact C-O 3.52Å; L1206-S1229 VanDerWaalsContact CA-O 3.25Å; L1206-S1229 WeakPolarHBondContact CA-O 3.34Å; L1206-I1230 HydrophobicContact CB-CG1 4.19Å
1207	R	81.3	Confident	75.5	Confident	72 Å²	72	49.8 Å²	49.8	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	159.4	170.1	61.9	173.8	-179.9	176.2	0.7	108.6	W1191 S1192 W1194 V1228 S1229	W1191-R1207 HydrophobicContact CD2-CG 4.22Å; W1191-R1207 HydrophobicContact CE3-CB 4.2Å; W1191-R1207 HydrophobicContact CE3-CG 3.57Å; W1191-R1207 HydrophobicContact CZ3-CG 4.04Å; W1191-R1207 WeakPolarHBondContact CZ3-O 3.27Å; S1192-R1207 WeakPolarHBondContact OG-CA 3.21Å; W1194-R1207 HydrophobicContact CD2-CB 3.98Å; W1194-R1207 HydrophobicContact CD2-CG 3.9Å; W1194-R1207 VanDerWaalsContact CE2-CD 3.44Å; W1194-R1207 HydrophobicContact CE3-CB 3.88Å; W1194-R1207 HydrophobicContact CE3-CG 3.81Å; W1194-R1207 HydrophobicContact CG-CB 4.45Å; W1194-R1207 HydrophobicContact CH2-CG 3.72Å; W1194-R1207 VanDerWaalsContact CZ2-CD 3.48Å; W1194-R1207 HydrophobicContact CZ2-CG 3.82Å; W1194-R1207 HydrophobicContact CZ3-CB 4.24Å; W1194-R1207 HydrophobicContact CZ3-CG 3.72Å; R1207-V1228 WeakPolarHBondContact O-CA 3.48Å; R1207-S1229 PolarHBondContact N-O 2.73Å; R1207-S1229 PolarHBondContact O-N 2.76Å
1208	F	80.8	Confident	76	Confident	27 Å²	27	47.5 Å²	47.5	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	163.3	-175.8	49.1	-106.7	0	0	0	111.7	M1154 I1156 W1191 S1192 A1227 V1228	M1154-F1208 HydrophobicContact CE-CB 3.94Å; M1154-F1208 HydrophobicContact CE-CD1 3.99Å; M1154-F1208 HydrophobicContact CE-CD2 2.94Å; M1154-F1208 HydrophobicContact CE-CE1 4.23Å; M1154-F1208 HydrophobicContact CE-CE2 3.21Å; M1154-F1208 HydrophobicContact CE-CG 3.34Å; M1154-F1208 HydrophobicContact CE-CZ 3.86Å; M1154-F1208 HydrophobicContact CG-CE2 4.15Å; M1154-F1208 HydrophobicContact SD-CD2 3.14Å; M1154-F1208 WeakPolarHBondContact SD-CD2 3.19Å; M1154-F1208 HydrophobicContact SD-CE2 3.11Å; M1154-F1208 WeakPolarHBondContact SD-CE2 3.18Å; M1154-F1208 HydrophobicContact SD-CG 4.16Å; M1154-F1208 HydrophobicContact SD-CZ 4.15Å; I1156-F1208 HydrophobicContact CB-CZ 4.2Å; I1156-F1208 HydrophobicContact CG1-CE2 4.35Å; I1156-F1208 HydrophobicContact CG1-CZ 3.95Å; I1156-F1208 HydrophobicContact CG2-CZ 4.05Å; W1191-F1208 CarbonylContact C-O 3.22Å; W1191-F1208 WeakPolarHBondContact CA-O 3.39Å; S1192-F1208 PolarHBondContact N-O 3.21Å; S1192-F1208 PolarHBondContact OG-N 2.79Å; F1208-A1227 CarbonylContact C-O 3.58Å; F1208-A1227 WeakPolarHBondContact CA-O 3.49Å; F1208-V1228 HydrophobicContact CB-CG2 4.32Å
1209	R	85.1	Confident	76.6	Confident	54 Å²	54	49.9 Å²	49.9	20%	0.204	30%	0.298	C	S	.	.			trans	-143.8	153.1	172.5	54	174.4	180	177.5	2.9	109.5	W1188 W1191 E1226 A1227	W1188-R1209 HydrophobicContact CD2-CG 4.03Å; W1188-R1209 HydrophobicContact CE3-CB 4.11Å; W1188-R1209 HydrophobicContact CE3-CG 3.51Å; W1188-R1209 HydrophobicContact CZ3-CG 3.98Å; W1188-R1209 WeakPolarHBondContact CZ3-O 3.26Å; W1191-R1209 HydrophobicContact CD2-CB 4.04Å; W1191-R1209 HydrophobicContact CD2-CG 3.94Å; W1191-R1209 VanDerWaalsContact CE2-CD 3.45Å; W1191-R1209 HydrophobicContact CE3-CB 4Å; W1191-R1209 HydrophobicContact CE3-CG 3.85Å; W1191-R1209 HydrophobicContact CG-CB 4.44Å; W1191-R1209 HydrophobicContact CH2-CG 3.77Å; W1191-R1209 VanDerWaalsContact CZ2-CD 3.46Å; W1191-R1209 HydrophobicContact CZ2-CG 3.87Å; W1191-R1209 HydrophobicContact CZ3-CB 4.37Å; W1191-R1209 HydrophobicContact CZ3-CG 3.77Å; R1209-E1226 VanDerWaalsContact CZ-O 3.32Å; R1209-E1226 PolarHBondContact NE-O 2.85Å; R1209-E1226 PolarHBondContact NH2-O 3.18Å; R1209-A1227 PolarHBondContact N-O 2.79Å
1210	L	82.1	Confident	77.6	Confident	44 Å²	44	48.6 Å²	48.6	23%	0.23	29%	0.289	C	S	.	.			trans	-105	142.9	179.9	-81.9	150.5	0	0	0	110.9	V1152 M1154 W1188 A1189 S1212	V1152-L1210 HydrophobicContact CG2-CD2 4.25Å; M1154-L1210 HydrophobicContact CB-CD1 3.83Å; M1154-L1210 HydrophobicContact CB-CD2 4.2Å; M1154-L1210 HydrophobicContact CB-CG 4.27Å; M1154-L1210 HydrophobicContact CG-CD1 3.6Å; M1154-L1210 HydrophobicContact CG-CG 4.32Å; M1154-L1210 HydrophobicContact SD-CD1 3.37Å; M1154-L1210 WeakPolarHBondContact SD-CD1 2.98Å; M1154-L1210 HydrophobicContact SD-CD2 4.49Å; M1154-L1210 HydrophobicContact SD-CG 3.67Å; W1188-L1210 WeakPolarHBondContact CA-O 2.75Å; A1189-L1210 HydrophobicContact CB-CB 4.41Å; A1189-L1210 PolarHBondContact N-O 2.7Å; L1210-S1212 WeakPolarHBondContact CB-OG 2.99Å; L1210-S1212 PolarHBondContact O-N 2.86Å
1211	C	85.8	Confident	78.4	Confident	15 Å²	15	49.1 Å²	49.1	10%	0.101	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-79.3	72.3	169.8	-174.6	0	0	0	0	109.1	G1187 W1188 L1215 C1223	G1187-C1211 CarbonylContact O-C 3.29Å; G1187-C1211 WeakPolarHBondContact O-CA 3.24Å; W1188-C1211 HydrophobicContact CE3-CB 4.21Å; W1188-C1211 HydrophobicContact CH2-CB 4.26Å; W1188-C1211 HydrophobicContact CZ3-CB 3.94Å; C1211-L1215 WeakPolarHBondContact O-CD2 3.45Å; C1211-C1223 WeakPolarHBondContact CA-SG 3.36Å; C1211-C1223 HydrophobicContact CB-CB 3.75Å; C1211-C1223 WeakPolarHBondContact CB-SG 3.26Å; C1211-C1223 WeakPolarHBondContact SG-CB 3.49Å; C1211-C1223 PolarHBondContact SG-N 3.05Å; C1211-C1223 CovalentContact SG-SG 2.02Å; C1211-C1223 PolarHBondContact SG-SG 2.85Å
1212	S	84	Confident	79.5	Confident	14 Å²	14	52.3 Å²	52.3	10%	0.098	29%	0.292	C	S	.	.			trans	-140.9	8.9	-168.3	69	0	0	0	0	115.2	G1187 L1210 P1214	G1187-S1212 PolarHBondContact O-N 2.73Å; L1210-S1212 WeakPolarHBondContact CB-OG 2.99Å; L1210-S1212 PolarHBondContact O-N 2.86Å; S1212-P1214 CarbonylContact C-O 3.47Å
1213	D	84.2	Confident	80.7	Confident	110 Å²	110	50.2 Å²	50.2	59%	0.588	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	76.6	-178.8	-163.1	13.5	0	0	0	112.3	G1187 A1189	G1187-D1213 CarbonylContact C-O 3.54Å; G1187-D1213 VanDerWaalsContact C-O 3.31Å; G1187-D1213 WeakPolarHBondContact CA-O 3.29Å; G1187-D1213 CarbonylContact O-C 3.51Å; G1187-D1213 PolarHBondContact O-N 2.68Å; A1189-D1213 HydrophobicContact CB-CB 4.36Å
1214	P	87.2	Confident	81.2	Confident	66 Å²	66	54.4 Å²	54.4	43%	0.429	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.6	168	-2.4	34.1	-35	0	0	0	113.2	V1184 G1186 G1187 S1212	V1184-P1214 HydrophobicContact CG1-CB 4.01Å; V1184-P1214 HydrophobicContact CG1-CG 3.69Å; G1186-P1214 WeakPolarHBondContact CA-O 3.39Å; G1187-P1214 PolarHBondContact N-O 2.98Å; S1212-P1214 CarbonylContact C-O 3.47Å
1215	L	87.2	Confident	81.8	Confident	11 Å²	11	51.8 Å²	51.8	6%	0.058	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.3	138.1	167.2	-82.1	164.1	0	0	0	110.4	S1137 I1150 V1152 C1211 A1217	S1137-L1215 WeakPolarHBondContact OG-CD1 3.25Å; I1150-L1215 HydrophobicContact CG1-CD1 4.49Å; I1150-L1215 VanDerWaalsContact O-CD1 3.27Å; I1150-L1215 WeakPolarHBondContact O-CD1 3.37Å; V1152-L1215 HydrophobicContact CG1-CD2 3.97Å; V1152-L1215 HydrophobicContact CG2-CD2 3.83Å; C1211-L1215 WeakPolarHBondContact O-CD2 3.45Å; L1215-A1217 PolarHBondContact O-N 2.79Å
1216	P	86.1	Confident	81.5	Confident	39 Å²	39	56.5 Å²	56.5	25%	0.253	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-64.3	134.5	176	24.6	-30.8	0	0	0	111.1	V1184	V1184-P1216 CarbonylContact O-C 3.57Å; V1184-P1216 WeakPolarHBondContact O-CA 3.08Å
1217	A	81.1	Confident	81.5	Confident	11 Å²	11	56.2 Å²	56.2	9%	0.091	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-148.1	161	179.8	0	0	0	0	0	111.2	R1141 V1184 L1215 S1219 G1220	R1141-A1217 HydrophobicContact CB-CB 4.31Å; V1184-A1217 HydrophobicContact CB-CB 4.2Å; V1184-A1217 HydrophobicContact CG2-CB 4.47Å; V1184-A1217 PolarHBondContact N-O 3.12Å; V1184-A1217 PolarHBondContact O-N 2.89Å; L1215-A1217 PolarHBondContact O-N 2.79Å; A1217-S1219 PolarHBondContact O-N 3.05Å; A1217-G1220 PolarHBondContact O-N 3.12Å
1218	N	80.9	Confident	81.3	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.043	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	47	174.8	-56.6	-33.2	0	0	0	113.9	C1142 S1143 C1144 D1182 P1183 G1220	C1142-N1218 PolarHBondContact O-OD1 3.12Å; S1143-N1218 WeakPolarHBondContact CA-OD1 3.4Å; C1144-N1218 PolarHBondContact N-OD1 3.5Å; D1182-N1218 PolarHBondContact O-ND2 2.98Å; P1183-N1218 WeakPolarHBondContact CA-O 2.97Å; P1183-N1218 WeakPolarHBondContact CB-O 3.4Å; N1218-G1220 PolarHBondContact O-N 3.03Å
1219	S	74.7	Confident	81.3	Confident	104 Å²	104	56.7 Å²	56.7	73%	0.727	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	22.1	-177.9	-51.4	0	0	0	0	115.1	A1217	A1217-S1219 PolarHBondContact O-N 3.05Å
1220	G	78	Confident	80.9	Confident	16 Å²	16	59.1 Å²	59.1	17%	0.165	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-68.4	152.9	167	0	0	0	0	0	112.5	V1184 D1185 A1217 N1218	V1184-G1220 WeakPolarHBondContact O-CA 3.41Å; D1185-G1220 VanDerWaalsContact OD1-CA 3.29Å; D1185-G1220 WeakPolarHBondContact OD1-CA 3.32Å; A1217-G1220 PolarHBondContact O-N 3.12Å; N1218-G1220 PolarHBondContact O-N 3.03Å
1221	N	78	Confident	80.8	Confident	108 Å²	108	61.3 Å²	61.3	58%	0.578	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-64.4	140.4	-178.8	-63.1	-59.1	0	0	0	111.1	D1185 G1186	D1185-N1221 HydrophobicContact CB-CB 4.46Å; D1185-N1221 PolarHBondContact OD1-N 2.99Å; D1185-N1221 PolarHBondContact OD1-ND2 2.71Å; D1185-N1221 PolarHBondContact OD2-ND2 3.23Å; G1186-N1221 PolarHBondContact N-O 3.48Å
1222	H	80.9	Confident	80.3	Confident	137 Å²	137	64 Å²	64	63%	0.634	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-66.1	149.3	168.2	-165	-59.7	0	0	0	110	A1224	H1222-A1224 PolarHBondContact O-N 3.19Å
1223	C	85.9	Confident	79.7	Confident	13 Å²	13	63.8 Å²	63.8	9%	0.088	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-52.4	132.9	176	-56.5	0	0	0	0	112.4	G1186 G1187 W1188 C1211	G1186-C1223 PolarHBondContact O-SG 3.26Å; G1187-C1223 PolarHBondContact N-SG 2.9Å; G1187-C1223 VanDerWaalsContact N-SG 3.4Å; G1187-C1223 PolarHBondContact O-SG 2.92Å; W1188-C1223 HydrophobicContact CD2-CB 3.85Å; W1188-C1223 HydrophobicContact CE3-CB 4.47Å; W1188-C1223 HydrophobicContact CG-CB 4.24Å; W1188-C1223 HydrophobicContact CH2-CB 4.15Å; W1188-C1223 HydrophobicContact CZ2-CB 3.5Å; W1188-C1223 VanDerWaalsContact CZ2-CB 3.5Å; C1211-C1223 WeakPolarHBondContact CA-SG 3.36Å; C1211-C1223 HydrophobicContact CB-CB 3.75Å; C1211-C1223 WeakPolarHBondContact CB-SG 3.26Å; C1211-C1223 WeakPolarHBondContact SG-CB 3.49Å; C1211-C1223 PolarHBondContact SG-N 3.05Å; C1211-C1223 CovalentContact SG-SG 2.02Å; C1211-C1223 PolarHBondContact SG-SG 2.85Å
1224	A	80.3	Confident	78.7	Confident	90 Å²	90	65.9 Å²	65.9	74%	0.744	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-85.9	141.2	174.6	0	0	0	0	0	112.3	W1188 H1222	W1188-A1224 PolarHBondContact NE1-O 2.93Å; H1222-A1224 PolarHBondContact O-N 3.19Å
1225	G	80.5	Confident	77.2	Confident	56 Å²	56	68.2 Å²	68.2	58%	0.577	41%	0.407	S	S	*	.	S	Bend	trans	100.3	179.7	176.9	0	0	0	0	0	114.5	W1188	W1188-G1225 VanDerWaalsContact CZ2-O 3.29Å; W1188-G1225 WeakPolarHBondContact CZ2-O 3.41Å
1226	E	72.2	Confident	75.4	Confident	144 Å²	144	74.6 Å²	74.6	67%	0.673	44%	0.437	S	S	*	.			trans	-75.9	135.1	-172.1	-62	-59.7	143.9	0	0	112.8	R1209 V1228	R1209-E1226 VanDerWaalsContact CZ-O 3.32Å; R1209-E1226 PolarHBondContact NE-O 2.85Å; R1209-E1226 PolarHBondContact NH2-O 3.18Å; E1226-V1228 VanDerWaalsContact C-N 3.33Å
1227	A	75.3	Confident	73.5	Confident	41 Å²	41	75.8 Å²	75.8	34%	0.339	45%	0.445	S	S	.	.	S	Bend	trans	-79.2	-17.7	172.1	0	0	0	0	0	112.7	W1188 F1208 R1209	W1188-A1227 HydrophobicContact CH2-CB 3.67Å; W1188-A1227 HydrophobicContact CZ3-CB 3.84Å; F1208-A1227 CarbonylContact C-O 3.58Å; F1208-A1227 WeakPolarHBondContact CA-O 3.49Å; R1209-A1227 PolarHBondContact N-O 2.79Å
1228	V	76.9	Confident	72	Confident	75 Å²	75	85.1 Å²	85.1	46%	0.455	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.5	-176.6	-177.6	0	0	0	0	109.3	R1207 F1208 E1226 I1230	R1207-V1228 WeakPolarHBondContact O-CA 3.48Å; F1208-V1228 HydrophobicContact CB-CG2 4.32Å; E1226-V1228 VanDerWaalsContact C-N 3.33Å; V1228-I1230 HydrophobicContact CG1-CG1 4.31Å
1229	S	80.4	Confident	70.1	Confident	35 Å²	35	95.2 Å²	95.2	25%	0.245	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.8	176.5	179.3	0	0	0	0	109.3	W1194 L1206 R1207	W1194-S1229 WeakPolarHBondContact CZ3-O 3.34Å; L1206-S1229 CarbonylContact C-O 3.52Å; L1206-S1229 VanDerWaalsContact CA-O 3.25Å; L1206-S1229 WeakPolarHBondContact CA-O 3.34Å; R1207-S1229 PolarHBondContact N-O 2.73Å; R1207-S1229 PolarHBondContact O-N 2.76Å
1230	I	76.5	Confident	68.2	Low	105 Å²	105	93.2 Å²	93.2	54%	0.538	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.3	-176.5	-54.6	175.3	0	0	0	108.4	K1204 K1205 L1206 V1228	K1204-I1230 HydrophobicContact CB-CG2 3.86Å; K1204-I1230 HydrophobicContact CD-CG2 3.77Å; K1204-I1230 HydrophobicContact CG-CG2 4.1Å; K1205-I1230 WeakPolarHBondContact O-CA 3.36Å; L1206-I1230 HydrophobicContact CB-CG1 4.19Å; V1228-I1230 HydrophobicContact CG1-CG1 4.31Å
1231	E	80.8	Confident	66.1	Low	90 Å²	90	100.3 Å²	100.3	42%	0.421	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.7	144.7	-179.5	-169.4	-175.1	173	0	0	110.5	W1194 K1204 K1205	W1194-E1231 HydrophobicContact CH2-CB 3.49Å; W1194-E1231 VanDerWaalsContact CH2-CB 3.49Å; W1194-E1231 HydrophobicContact CZ2-CB 4.13Å; W1194-E1231 VanDerWaalsContact CZ2-OE2 3.31Å; W1194-E1231 WeakPolarHBondContact CZ2-OE2 3.44Å; W1194-E1231 HydrophobicContact CZ3-CB 3.8Å; K1204-E1231 CarbonylContact C-O 3.49Å; K1204-E1231 VanDerWaalsContact CA-O 3.31Å; K1204-E1231 WeakPolarHBondContact CA-O 3.24Å; K1205-E1231 VanDerWaalsContact CE-CD 3.45Å; K1205-E1231 WeakPolarHBondContact CE-OE2 3.16Å; K1205-E1231 HydrophobicContact CG-CB 4.18Å; K1205-E1231 WeakPolarHBondContact CG-O 3.4Å; K1205-E1231 PolarHBondContact N-O 3.31Å; K1205-E1231 IonicContact NZ-OE1 3.34Å; K1205-E1231 IonicContact NZ-OE2 2.68Å; K1205-E1231 PolarHBondContact NZ-OE2 2.69Å; K1205-E1231 PolarHBondContact O-N 3.15Å
1232	N	75.8	Confident	63.6	Low	71 Å²	71	100.6 Å²	100.6	38%	0.38	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.9	138.6	178.1	-67.7	-28.2	0	0	0	111.1	K1204 F1234	K1204-N1232 WeakPolarHBondContact CG-OD1 3.38Å; N1232-F1234 HydrophobicContact CB-CD2 4.15Å; N1232-F1234 HydrophobicContact CB-CE1 4.07Å; N1232-F1234 HydrophobicContact CB-CE2 3.43Å; N1232-F1234 VanDerWaalsContact CB-CE2 3.43Å; N1232-F1234 HydrophobicContact CB-CZ 3.39Å
1233	C	70.8	Confident	61	Low	9 Å²	9	105.2 Å²	105.2	6%	0.061	58%	0.579	C	S	.	*			trans	-90.2	110.8	174.7	-63.1	0	0	0	0	110.5	C1197 G1202 G1203	C1197-C1233 HydrophobicContact CB-CB 3.78Å; C1197-C1233 WeakPolarHBondContact CB-SG 3.21Å; C1197-C1233 WeakPolarHBondContact SG-CB 3.28Å; C1197-C1233 CovalentContact SG-SG 2.02Å; C1197-C1233 PolarHBondContact SG-SG 2.95Å; G1202-C1233 PolarHBondContact N-O 3.09Å; G1203-C1233 PolarHBondContact O-N 3.1Å
1234	F	62.5	Low	58.2	Low	155 Å²	155	109.9 Å²	109.9	68%	0.68	61%	0.609	S	S	*	*			trans	-107.3	-3.7	-178.2	-63.3	-67.9	0	0	0	115	N1232 Q1236	N1232-F1234 HydrophobicContact CB-CD2 4.15Å; N1232-F1234 HydrophobicContact CB-CE1 4.07Å; N1232-F1234 HydrophobicContact CB-CE2 3.43Å; N1232-F1234 VanDerWaalsContact CB-CE2 3.43Å; N1232-F1234 HydrophobicContact CB-CZ 3.39Å; F1234-Q1236 PolarHBondContact O-N 2.97Å
1235	S	56.6	Low	55.7	Low	115 Å²	115	110 Å²	110	80%	0.804	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-5.5	-162	55.3	0	0	0	0	117.1
1236	Q	49.8	Very low	53	Low	145 Å²	145	114.4 Å²	114.4	68%	0.678	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	19.7	-179	-60.5	-158.7	8.3	0	0	116.5	S1200 F1234 K1238	S1200-Q1236 WeakPolarHBondContact O-CB 3.49Å; F1234-Q1236 PolarHBondContact O-N 2.97Å; Q1236-K1238 PolarHBondContact O-N 3.16Å
1237	C	45.2	Very low	50.7	Low	63 Å²	63	113.2 Å²	113.2	43%	0.426	62%	0.622	S	S	.	*			trans	-73.4	98	171.2	-54.4	0	0	0	0	108.7	C1201 K1239	C1201-C1237 HydrophobicContact CB-CB 4.3Å; C1201-C1237 WeakPolarHBondContact CB-SG 3.4Å; C1201-C1237 WeakPolarHBondContact SG-CB 3.31Å; C1201-C1237 CovalentContact SG-SG 2.07Å; C1201-C1237 PolarHBondContact SG-SG 3.47Å; C1237-K1239 PolarHBondContact O-N 3.49Å; C1237-K1239 VanDerWaalsContact O-N 3.09Å
1238	K	51.2	Low	48.1	Very low	208 Å²	208	118.4 Å²	118.4	90%	0.904	64%	0.641	S	S	*	*			trans	-56.7	116.1	176.2	-81.9	-172.5	177.5	-179.8	0	109.1	Q1236 G1240	Q1236-K1238 PolarHBondContact O-N 3.16Å; K1238-G1240 PolarHBondContact O-N 2.7Å
1239	K	39.4	Very low	45.6	Very low	220 Å²	220	120.9 Å²	120.9	96%	0.957	66%	0.656	S	S	*	*	S	Bend	trans	-58.4	96.9	172.2	-72.7	-179.5	176.6	178.8	0	109.2	C1237	C1237-K1239 PolarHBondContact O-N 3.49Å; C1237-K1239 VanDerWaalsContact O-N 3.09Å
1240	G	34.8	Very low	43	Very low	61 Å²	61	124.6 Å²	124.6	63%	0.629	68%	0.678	S	S	*	*			trans	175.3	49.1	-178	0	0	0	0	0	115.4	K1238	K1238-G1240 PolarHBondContact O-N 2.7Å
1241	N	34.1	Very low	40.5	Very low	165 Å²	165	128.1 Å²	128.1	88%	0.882	69%	0.689	S	S	*	*			trans	-177.6	84.7	139.1	-98.9	-19.1	0	0	0	108.4	R1243	N1241-R1243 PolarHBondContact O-N 3.08Å
1242	S	26.5	Very low	38	Very low	115 Å²	115	133.4 Å²	133.4	80%	0.804	71%	0.711	S	S	*	*			trans	-60.3	94.2	167.7	47.3	0	0	0	0	110.2
1243	R	25.9	Very low	35.7	Very low	234 Å²	234	135.7 Å²	135.7	88%	0.883	72%	0.724	S	S	*	*			trans	-116.4	107.6	142.1	-82.1	-171.4	176.6	-178.1	-0.2	107.2	N1241 A1245	N1241-R1243 PolarHBondContact O-N 3.08Å; R1243-A1245 PolarHBondContact O-N 3.13Å
1244	P	27.7	Very low	33.5	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	77%	0.765	S	S	*	*			trans	-70.8	98.7	178.6	28.7	-29.5	0	0	0	107.6	L1246	P1244-L1246 PolarHBondContact O-N 2.9Å
1245	A	27.2	Very low	31.9	Very low	91 Å²	91	147.6 Å²	147.6	75%	0.752	79%	0.791	S	S	*	*			trans	-70.4	95.2	155.8	0	0	0	0	0	105.5	R1243 V1247	R1243-A1245 PolarHBondContact O-N 3.13Å; A1245-V1247 PolarHBondContact O-N 3.03Å
1246	L	23.4	Very low	30.7	Very low	150 Å²	150	149.2 Å²	149.2	79%	0.785	79%	0.791	S	S	*	*			trans	-63.1	72	178.5	-153.7	105.9	0	0	0	109.1	P1244 M1248	P1244-L1246 PolarHBondContact O-N 2.9Å; L1246-M1248 PolarHBondContact O-N 3.2Å
1247	V	24	Very low	29.7	Very low	119 Å²	119	149.4 Å²	149.4	72%	0.721	80%	0.797	S	S	*	*			trans	-90	95.5	167.2	-177.5	0	0	0	0	105.6	A1245 V1249	A1245-V1247 PolarHBondContact O-N 3.03Å; V1247-V1249 PolarHBondContact O-N 3.13Å
1248	M	21.8	Very low	28.8	Very low	149 Å²	149	154.2 Å²	154.2	73%	0.734	82%	0.817	S	S	*	*			trans	-56.5	109.2	170.2	-75.4	-149.2	-68.9	0	0	108.9	L1246 T1250	L1246-M1248 PolarHBondContact O-N 3.2Å; M1248-T1250 PolarHBondContact O-N 3.28Å
1249	V	23.6	Very low	27.5	Very low	128 Å²	128	151.1 Å²	151.1	78%	0.776	81%	0.812	S	S	*	*			trans	-88.3	86.6	165.1	-178.8	0	0	0	0	105.9	V1247 F1251	V1247-V1249 PolarHBondContact O-N 3.13Å; V1249-F1251 PolarHBondContact O-N 3.22Å
1250	T	24.7	Very low	26.7	Very low	113 Å²	113	146.8 Å²	146.8	69%	0.693	80%	0.803	S	S	*	*			trans	-87.1	96.2	169.1	47.3	0	0	0	0	108.9	M1248 F1252	M1248-T1250 PolarHBondContact O-N 3.28Å; T1250-F1252 PolarHBondContact O-N 3.34Å
1251	F	25.8	Very low	26.2	Very low	178 Å²	178	152.5 Å²	152.5	78%	0.781	82%	0.815	S	S	*	*			trans	10.6	97.1	135.8	-90.7	-103.2	0	0	0	115.8	V1249	V1249-F1251 PolarHBondContact O-N 3.22Å
1252	F	28.3	Very low	25.6	Very low	201 Å²	201	151.6 Å²	151.6	88%	0.882	81%	0.81	S	S	*	*			trans	-148.9	130.9	134.4	-97	-77.1	0	0	0	106.7	T1250	T1250-F1252 PolarHBondContact O-N 3.34Å
1253	D	26.3	Very low	25.6	Very low	120 Å²	120	154.4 Å²	154.4	64%	0.642	81%	0.81	S	S	*	*			trans	-53.7	147.1	-169.1	-53.7	-71.4	0	0	0	113.2	L1255	D1253-L1255 VanDerWaalsContact C-N 3.26Å
1254	L	24.8	Very low	25.5	Very low	177 Å²	177	147.8 Å²	147.8	93%	0.927	80%	0.804	S	S	*	*				45.8	48.9	54.6	-107.2	163.8	0	0	0	112
1255	L	28.7	Very low	25.3	Very low	236 Å²	236	151.1 Å²	151.1	100%	1.236	81%	0.812	S	S	*	*			trans	-98.4	0	151.1	-98.2	159.8	0	0	0	109.2	D1253	D1253-L1255 VanDerWaalsContact C-N 3.26Å

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