A0A096LYB2_POEFO Loading...

phosphatidate phosphatase

AlphaFold DB , UniProt , Accession A0A096LYB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 930 aa.

						>A0A096LYB2_POEFO|A0A096LYB2
MNYVGQLAGQVLVTVKELYKGINQATLSGCIDVIVVRQPDGTFHCSPFHVRFGKLGVLRSREKVIDIEINGEPVELHMKLGDNGEAFFVQEAERSNEIIPAHLVTSPIPTEEVLIRSREARCAGSAESCLPPVVPETDSANPQLCPSSSGRKKRRRRRKHKAEPRKEEPTCAGGEQELCECSSDEEQHANSGRASSLSIAKDSVEQRQHSPLTALEWDSYPFSDGDWSPCPMNLTEPASPRSDSELMVKPTESMFRSDSHMQWSWGELPESTRVNKKSETKTQSITPSESTHFRVILSSAAMEDEPIVQQSSSEPVCNIVKPEPRTVKPRQCSCSPQLPESHGANNKQDFSDRKSSSFSSQSSPAISDSDSNNVRKPRWTSSPPSRRNSGSAPGTGSSEAGEPLTGCPDAKAASKTTDSPIKGKVVRKRSQHQGPEDIYLEDLSALEPAVAARYFPKSEAEPVPKHWVETGRRSGSQSPQSVGSAAADSGTECLSDSASDLPDVTLSLCGGVGENSEISKEKFMEHMITYNDFAENPAIIDNPNLVVRIGNRYYNWTLAAPLILCMQAFQKNLPKTTEEAWVKEKMPKKSGRWWFWRKSSTKQLLTESKLERQESASRESPALHQAPDTQQKASEWSSDEETKELNGAAPSMKPTERVQSEGVATCHSYRKSLRLSSDQIASLKLRDGPNDVTFSITTQYQGTCRCEGTIYLWNWDDKVIISDIDGTITKSDVFGQILPQLGKDWTHRGIAKLYNSVHENGYRFLYCSARAIGMADMTRGYLHWVNDSGTLLPQGPLMLSPSSLFSAFHREVIEKKPEKFKIECLTDIKNLFHPNTQPFYAAFGNRENDVFAYKQVGVPACRIFKVNPKGELILEQSKGNKTSYSRLSELVEHVFPLRSTQHCATFSCPDFSSFCYWRQPIAEVCFEELL
					

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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	40	Very low	36.2	Very low	187 Å²	187	106.5 Å²	106.5	92%	0.921	58%	0.582	S	S	*	*				0	78	0	-71.5	132	68.4	0	0	108.8	W265	M1-W265 HydrophobicContact CE-CH2 3.99Å; M1-W265 HydrophobicContact CE-CZ3 3.66Å; M1-W265 HydrophobicContact SD-CZ3 4.37Å
2	N	41.5	Very low	36.3	Very low	127 Å²	127	107.6 Å²	107.6	68%	0.679	59%	0.586	S	S	*	*			trans	-102.3	-10.4	-159.7	-65.7	20.9	0	0	0	115.4	V4 G5 Q6	N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 3.33Å; N2-G5 PolarHBondContact O-N 3.39Å; N2-G5 VanDerWaalsContact O-N 3.12Å; N2-Q6 PolarHBondContact O-N 3.48Å
3	Y	28.6	Very low	36.6	Very low	189 Å²	189	105.1 Å²	105.1	74%	0.741	58%	0.576	S	S	*	*	H	α-helix	trans	-58.5	-35.9	-179.3	-100	-88.7	0	0	0	113.7	L7	Y3-L7 PolarHBondContact O-N 3.23Å; Y3-L7 VanDerWaalsContact O-N 3.11Å
4	V	36.9	Very low	37.1	Very low	118 Å²	118	101.1 Å²	101.1	72%	0.715	56%	0.556	S	S	*	*	H	α-helix	trans	-66.7	-39.3	178.1	-174.2	0	0	0	0	111.3	N2 A8	N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 3.33Å; V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.46Å; V4-A8 PolarHBondContact O-N 2.88Å
5	G	33.1	Very low	37.2	Very low	51 Å²	51	96.5 Å²	96.5	53%	0.526	53%	0.532	S	S	.	.	H	α-helix	trans	-68.5	-37.5	178.7	0	0	0	0	0	113.3	N2 G9	N2-G5 PolarHBondContact O-N 3.39Å; N2-G5 VanDerWaalsContact O-N 3.12Å; G5-G9 PolarHBondContact O-N 3.11Å
6	Q	35.8	Very low	37.4	Very low	132 Å²	132	98.1 Å²	98.1	62%	0.617	53%	0.532	S	S	*	.	H	α-helix	trans	-70.7	-41.1	175.4	-78.1	179.8	-63.7	0	0	112.5	N2 G9 Q10	N2-Q6 PolarHBondContact O-N 3.48Å; Q6-G9 PolarHBondContact O-N 3.47Å; Q6-Q10 PolarHBondContact O-N 3.07Å
7	L	35.4	Very low	37.7	Very low	104 Å²	104	99.7 Å²	99.7	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-46.2	172.7	-100.2	75.1	0	0	0	111.8	Y3 G9 Q10 V11	Y3-L7 PolarHBondContact O-N 3.23Å; Y3-L7 VanDerWaalsContact O-N 3.11Å; L7-G9 VanDerWaalsContact C-N 3.32Å; L7-G9 PolarHBondContact O-N 2.78Å; L7-Q10 PolarHBondContact O-N 3Å; L7-V11 WeakPolarHBondContact O-CB 3.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.44Å
8	A	36	Very low	38.1	Very low	48 Å²	48	95.9 Å²	95.9	40%	0.397	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-41.3	177.1	0	0	0	0	0	111.8	V4 L12	V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.46Å; V4-A8 PolarHBondContact O-N 2.88Å; A8-L12 VanDerWaalsContact O-CB 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.4Å; A8-L12 WeakPolarHBondContact O-CG 3.25Å; A8-L12 PolarHBondContact O-N 3Å
9	G	34.4	Very low	38.2	Very low	34 Å²	34	96.6 Å²	96.6	35%	0.351	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-47.8	175.5	0	0	0	0	0	113.1	G5 Q6 L7 L12 V13	G5-G9 PolarHBondContact O-N 3.11Å; Q6-G9 PolarHBondContact O-N 3.47Å; L7-G9 VanDerWaalsContact C-N 3.32Å; L7-G9 PolarHBondContact O-N 2.78Å; G9-L12 PolarHBondContact O-N 3.43Å; G9-V13 WeakPolarHBondContact O-CG2 3.49Å; G9-V13 PolarHBondContact O-N 3.34Å
10	Q	38.2	Very low	38.3	Very low	135 Å²	135	99.9 Å²	99.9	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-48.6	176.5	-75	-177.5	-66.1	0	0	111.5	Q6 L7 L12 V13 T14	Q6-Q10 PolarHBondContact O-N 3.07Å; L7-Q10 PolarHBondContact O-N 3Å; Q10-L12 VanDerWaalsContact C-N 3.35Å; Q10-L12 PolarHBondContact O-N 2.93Å; Q10-V13 PolarHBondContact O-N 3.18Å; Q10-V13 VanDerWaalsContact O-N 3.17Å; Q10-T14 PolarHBondContact O-N 3.35Å; Q10-T14 PolarHBondContact O-OG1 3.24Å; Q10-T14 VanDerWaalsContact O-OG1 3.11Å
11	V	38.8	Very low	38.3	Very low	47 Å²	47	98.4 Å²	98.4	29%	0.285	53%	0.529	S	S	.	.	H	α-helix	trans	-58.7	-44.6	178.1	170.7	0	0	0	0	111.4	L7 V13 T14 V15 L741	L7-V11 WeakPolarHBondContact O-CB 3.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.44Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 3.37Å; V11-T14 PolarHBondContact O-N 3.34Å; V11-V15 HydrophobicContact CG1-CG2 4.28Å; V11-V15 WeakPolarHBondContact O-CB 3.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.37Å; V11-V15 PolarHBondContact O-N 3.5Å; V11-L741 HydrophobicContact CG1-CD1 4.23Å; V11-L741 HydrophobicContact CG1-CD2 3.93Å; V11-L741 HydrophobicContact CG2-CD1 4.36Å; V11-L741 HydrophobicContact CG2-CD2 4.2Å
12	L	37.5	Very low	38.7	Very low	119 Å²	119	92.4 Å²	92.4	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-66	-33.4	177.8	-79.2	166.5	0	0	0	113.3	A8 G9 Q10 K16	A8-L12 VanDerWaalsContact O-CB 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.4Å; A8-L12 WeakPolarHBondContact O-CG 3.25Å; A8-L12 PolarHBondContact O-N 3Å; G9-L12 PolarHBondContact O-N 3.43Å; Q10-L12 VanDerWaalsContact C-N 3.35Å; Q10-L12 PolarHBondContact O-N 2.93Å; L12-K16 VanDerWaalsContact O-CB 3.25Å; L12-K16 WeakPolarHBondContact O-CB 3.3Å; L12-K16 PolarHBondContact O-N 3.34Å
13	V	40.2	Very low	39.1	Very low	75 Å²	75	90.3 Å²	90.3	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-50.8	173.5	170	0	0	0	0	110.2	G9 Q10 V11 V15 K16 E17	G9-V13 WeakPolarHBondContact O-CG2 3.49Å; G9-V13 PolarHBondContact O-N 3.34Å; Q10-V13 PolarHBondContact O-N 3.18Å; Q10-V13 VanDerWaalsContact O-N 3.17Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 3.37Å; V13-V15 VanDerWaalsContact C-N 3.34Å; V13-V15 PolarHBondContact O-N 2.99Å; V13-K16 CarbonylContact O-C 3.16Å; V13-K16 WeakPolarHBondContact O-CA 3.49Å; V13-K16 WeakPolarHBondContact O-CB 3.42Å; V13-K16 PolarHBondContact O-N 3.23Å; V13-E17 HydrophobicContact CG1-CG 4.42Å; V13-E17 PolarHBondContact O-N 3.2Å
14	T	42.9	Very low	40	Very low	50 Å²	50	83.2 Å²	83.2	31%	0.307	46%	0.462	S	S	.	.	H	α-helix	trans	-57	-45.9	178.3	-53.7	0	0	0	0	111.6	Q10 V11 K16 E17 L18	Q10-T14 PolarHBondContact O-N 3.35Å; Q10-T14 PolarHBondContact O-OG1 3.24Å; Q10-T14 VanDerWaalsContact O-OG1 3.11Å; V11-T14 PolarHBondContact O-N 3.34Å; T14-K16 PolarHBondContact O-N 2.91Å; T14-E17 PolarHBondContact O-N 3.18Å; T14-L18 VanDerWaalsContact O-CA 3.29Å; T14-L18 WeakPolarHBondContact O-CA 3.34Å; T14-L18 WeakPolarHBondContact O-CB 3.46Å; T14-L18 PolarHBondContact O-N 2.96Å
15	V	39	Very low	40.4	Very low	31 Å²	31	78.4 Å²	78.4	19%	0.188	44%	0.435	C	S	.	.	H	α-helix	trans	-61.1	-29.9	176.2	170.1	0	0	0	0	113	V11 V13 L18 Y19 I737	V11-V15 HydrophobicContact CG1-CG2 4.28Å; V11-V15 WeakPolarHBondContact O-CB 3.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.37Å; V11-V15 PolarHBondContact O-N 3.5Å; V13-V15 VanDerWaalsContact C-N 3.34Å; V13-V15 PolarHBondContact O-N 2.99Å; V15-L18 VanDerWaalsContact O-CA 3.3Å; V15-L18 WeakPolarHBondContact O-CA 3.4Å; V15-L18 WeakPolarHBondContact O-CB 3.49Å; V15-Y19 PolarHBondContact O-N 2.97Å; V15-I737 HydrophobicContact CG1-CD1 4.11Å; V15-I737 HydrophobicContact CG2-CD1 4.39Å; V15-I737 HydrophobicContact CG2-CG2 3.63Å
16	K	40.4	Very low	41.4	Very low	123 Å²	123	79.6 Å²	79.6	54%	0.535	43%	0.432	S	S	.	.	H	α-helix	trans	-85.7	-22.6	178.9	-166.7	170.7	-171.9	171.8	0	113.1	L12 V13 T14 K20	L12-K16 VanDerWaalsContact O-CB 3.25Å; L12-K16 WeakPolarHBondContact O-CB 3.3Å; L12-K16 PolarHBondContact O-N 3.34Å; V13-K16 CarbonylContact O-C 3.16Å; V13-K16 WeakPolarHBondContact O-CA 3.49Å; V13-K16 WeakPolarHBondContact O-CB 3.42Å; V13-K16 PolarHBondContact O-N 3.23Å; T14-K16 PolarHBondContact O-N 2.91Å; K16-K20 WeakPolarHBondContact O-CB 3.39Å; K16-K20 WeakPolarHBondContact O-CD 3.42Å; K16-K20 WeakPolarHBondContact O-CG 3.32Å
17	E	42.4	Very low	43.1	Very low	125 Å²	125	75.2 Å²	75.2	58%	0.584	41%	0.413	S	S	*	.	H	α-helix	trans	-84.5	-50.4	176.4	-71.3	175.5	163.5	0	0	111.1	V13 T14 K20 G21	V13-E17 HydrophobicContact CG1-CG 4.42Å; V13-E17 PolarHBondContact O-N 3.2Å; T14-E17 PolarHBondContact O-N 3.18Å; E17-K20 WeakPolarHBondContact O-CB 3.33Å; E17-K20 PolarHBondContact O-N 3.07Å; E17-K20 VanDerWaalsContact O-N 3.17Å; E17-G21 PolarHBondContact O-N 3Å
18	L	44.1	Very low	45.4	Very low	32 Å²	32	71.3 Å²	71.3	17%	0.168	39%	0.394	C	S	.	.	H	α-helix		46.7	-133.4	106.3	-41.9	177	0	0	0	119.5	T14 V15 K20 G21 I22 Q740	T14-L18 VanDerWaalsContact O-CA 3.29Å; T14-L18 WeakPolarHBondContact O-CA 3.34Å; T14-L18 WeakPolarHBondContact O-CB 3.46Å; T14-L18 PolarHBondContact O-N 2.96Å; V15-L18 VanDerWaalsContact O-CA 3.3Å; V15-L18 WeakPolarHBondContact O-CA 3.4Å; V15-L18 WeakPolarHBondContact O-CB 3.49Å; L18-K20 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact O-N 3.16Å; L18-G21 PolarHBondContact O-N 3.38Å; L18-I22 HydrophobicContact CD2-CD1 3.86Å; L18-I22 HydrophobicContact CD2-CG1 4.46Å; L18-I22 PolarHBondContact O-N 2.86Å; L18-Q740 HydrophobicContact CD1-CB 3.92Å; L18-Q740 HydrophobicContact CD1-CG 3.83Å; L18-Q740 VanDerWaalsContact CD1-OE1 3.28Å
19	Y	41.1	Very low	47.9	Very low	108 Å²	108	69 Å²	69	42%	0.424	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-10.3	173.2	-89.1	-112.9	0	0	0	114.3	V15	V15-Y19 PolarHBondContact O-N 2.97Å
20	K	40.3	Very low	50.7	Low	162 Å²	162	67.5 Å²	67.5	70%	0.704	36%	0.359	S	S	*	.	H	α-helix	trans	-83.1	-36.5	174.4	-82.7	-180	173.2	-170.7	0	112.9	K16 E17 L18	K16-K20 WeakPolarHBondContact O-CB 3.39Å; K16-K20 WeakPolarHBondContact O-CD 3.42Å; K16-K20 WeakPolarHBondContact O-CG 3.32Å; E17-K20 WeakPolarHBondContact O-CB 3.33Å; E17-K20 PolarHBondContact O-N 3.07Å; E17-K20 VanDerWaalsContact O-N 3.17Å; L18-K20 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact O-N 3.16Å
21	G	38	Very low	53.4	Low	69 Å²	69	61.3 Å²	61.3	71%	0.711	33%	0.33	S	S	*	.	H	α-helix	trans	-72.9	-34.6	175	0	0	0	0	0	112.3	E17 L18 N23	E17-G21 PolarHBondContact O-N 3Å; L18-G21 PolarHBondContact O-N 3.38Å; G21-N23 PolarHBondContact O-N 3.14Å
22	I	47.5	Very low	56.2	Low	62 Å²	62	59.1 Å²	59.1	32%	0.318	32%	0.317	S	S	.	.			trans	-92.8	90.4	-175.9	-54.8	178.3	0	0	0	110.8	L18 Q24 L27	L18-I22 HydrophobicContact CD2-CD1 3.86Å; L18-I22 HydrophobicContact CD2-CG1 4.46Å; L18-I22 PolarHBondContact O-N 2.86Å; I22-Q24 HydrophobicContact CG2-CG 4.28Å; I22-Q24 PolarHBondContact O-N 3.46Å; I22-Q24 VanDerWaalsContact O-N 3.14Å; I22-L27 HydrophobicContact CG2-CD1 3.7Å; I22-L27 HydrophobicContact CG2-CD2 3.86Å; I22-L27 HydrophobicContact CG2-CG 3.97Å
23	N	49.7	Very low	59.1	Low	83 Å²	83	53.6 Å²	53.6	44%	0.444	29%	0.288	S	S	.	.			trans	-70.8	105.8	165.4	178.3	7.5	0	0	0	110	G21 A25 T26	G21-N23 PolarHBondContact O-N 3.14Å; N23-A25 PolarHBondContact O-N 2.99Å; N23-A25 WeakPolarHBondContact OD1-CB 3.45Å; N23-A25 PolarHBondContact OD1-N 2.99Å; N23-A25 VanDerWaalsContact OD1-N 3.09Å; N23-T26 WeakPolarHBondContact CB-OG1 3.29Å; N23-T26 PolarHBondContact O-N 3.07Å; N23-T26 PolarHBondContact O-OG1 3.45Å
24	Q	49	Very low	61.9	Low	40 Å²	40	50 Å²	50	19%	0.187	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.9	-176.6	-68.2	170.7	-20.3	0	0	114.5	I22 L27 L804 F805	I22-Q24 HydrophobicContact CG2-CG 4.28Å; I22-Q24 PolarHBondContact O-N 3.46Å; I22-Q24 VanDerWaalsContact O-N 3.14Å; Q24-L27 HydrophobicContact CB-CD1 4.21Å; Q24-L27 HydrophobicContact CG-CD1 3.9Å; Q24-L804 HydrophobicContact CB-CB 4.32Å; Q24-L804 HydrophobicContact CB-CD1 3.8Å; Q24-L804 HydrophobicContact CG-CD1 3.99Å; Q24-F805 HydrophobicContact CB-CE2 4.03Å
25	A	43.8	Very low	64.5	Low	16 Å²	16	47.7 Å²	47.7	13%	0.132	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.8	168.6	0	0	0	0	0	113.8	N23 K54 F805	N23-A25 PolarHBondContact O-N 2.99Å; N23-A25 WeakPolarHBondContact OD1-CB 3.45Å; N23-A25 PolarHBondContact OD1-N 2.99Å; N23-A25 VanDerWaalsContact OD1-N 3.09Å; A25-K54 PolarHBondContact O-N 2.8Å; A25-K54 VanDerWaalsContact O-N 3.1Å; A25-F805 HydrophobicContact CB-CD1 3.84Å; A25-F805 HydrophobicContact CB-CD2 3.61Å; A25-F805 HydrophobicContact CB-CE1 3.81Å; A25-F805 HydrophobicContact CB-CE2 3.6Å; A25-F805 HydrophobicContact CB-CG 3.74Å; A25-F805 HydrophobicContact CB-CZ 3.7Å
26	T	55.8	Low	67.3	Low	76 Å²	76	46.2 Å²	46.2	47%	0.466	24%	0.243	S	C	.	.	S	Bend	trans	-106.1	5.4	-177.4	53	0	0	0	0	112.7	N23 S28 K54	N23-T26 WeakPolarHBondContact CB-OG1 3.29Å; N23-T26 PolarHBondContact O-N 3.07Å; N23-T26 PolarHBondContact O-OG1 3.45Å; T26-S28 PolarHBondContact O-N 3.12Å; T26-K54 HydrophobicContact CG2-CB 4.46Å
27	L	70.8	Confident	70	Confident	41 Å²	41	43.6 Å²	43.6	22%	0.215	23%	0.23	C	C	.	.			trans	-71.2	117.9	166.8	-70.8	173	0	0	0	110.3	I22 Q24 G773 M774	I22-L27 HydrophobicContact CG2-CD1 3.7Å; I22-L27 HydrophobicContact CG2-CD2 3.86Å; I22-L27 HydrophobicContact CG2-CG 3.97Å; Q24-L27 HydrophobicContact CB-CD1 4.21Å; Q24-L27 HydrophobicContact CG-CD1 3.9Å; L27-G773 WeakPolarHBondContact CD1-O 3.17Å; L27-M774 HydrophobicContact CD1-SD 3.7Å
28	S	84.1	Confident	72.6	Confident	22 Å²	22	38.2 Å²	38.2	15%	0.154	21%	0.205	C	C	.	.			trans	-73.1	162.9	155.2	-57.2	0	0	0	0	109.6	T26 R51 F52 G53 C704	T26-S28 PolarHBondContact O-N 3.12Å; S28-R51 CarbonylContact C-O 3.6Å; S28-R51 VanDerWaalsContact CA-O 3.25Å; S28-R51 WeakPolarHBondContact CA-O 3.35Å; S28-F52 WeakPolarHBondContact OG-CA 3.41Å; S28-G53 PolarHBondContact OG-N 3.01Å; S28-C704 PolarHBondContact OG-SG 2.67Å
29	G	88.5	Confident	74.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	149.9	177	0	0	0	0	0	111.3	R51 C706 I772	G29-R51 PolarHBondContact N-O 3.1Å; G29-R51 PolarHBondContact O-N 2.87Å; G29-R51 VanDerWaalsContact O-O 3.1Å; G29-C706 WeakPolarHBondContact CA-SG 3.36Å; G29-I772 WeakPolarHBondContact O-CD1 3.3Å; G29-I772 WeakPolarHBondContact O-CG1 3.38Å
30	C	93.2	Very high	77.4	Confident	1 Å²	1	41 Å²	41	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.3	173.1	73.6	0	0	0	0	111.3	H49 V50 F694 C706 E707 A775 R779	C30-H49 WeakPolarHBondContact CA-O 3.42Å; C30-V50 HydrophobicContact CB-CB 4.22Å; C30-V50 HydrophobicContact CB-CG1 4.17Å; C30-V50 HydrophobicContact CB-CG2 3.9Å; C30-F694 HydrophobicContact CB-CD2 4.25Å; C30-F694 HydrophobicContact CB-CE2 4.25Å; C30-C706 PolarHBondContact N-SG 2.9Å; C30-E707 PolarHBondContact SG-O 3.24Å; C30-A775 WeakPolarHBondContact O-CB 3.27Å; C30-R779 PolarHBondContact O-NH2 3.35Å
31	I	94.8	Very high	79.9	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.026	22%	0.219	C	C	.	.			trans	-91.3	139.9	175.4	-53.6	-172.9	0	0	0	107.8	H49 I772 L797 M798 L799 P801	I31-H49 HydrophobicContact CB-CB 4.06Å; I31-H49 HydrophobicContact CD1-CB 3.7Å; I31-H49 HydrophobicContact CG1-CB 3.83Å; I31-H49 PolarHBondContact N-O 2.83Å; I31-I772 HydrophobicContact CD1-CB 4.49Å; I31-I772 HydrophobicContact CD1-CD1 4.38Å; I31-I772 HydrophobicContact CD1-CG1 4.48Å; I31-I772 HydrophobicContact CG1-CB 4.38Å; I31-I772 HydrophobicContact CG1-CD1 3.94Å; I31-I772 HydrophobicContact CG1-CG1 3.92Å; I31-L797 VanDerWaalsContact CG2-O 3.29Å; I31-L797 WeakPolarHBondContact CG2-O 3.42Å; I31-M798 HydrophobicContact CG2-CE 3.8Å; I31-M798 HydrophobicContact CG2-SD 4.02Å; I31-L799 HydrophobicContact CD1-CB 4.05Å; I31-L799 WeakPolarHBondContact CD1-O 3.36Å; I31-L799 HydrophobicContact CG1-CB 4.23Å; I31-P801 HydrophobicContact CD1-CB 4.16Å
32	D	97.5	Very high	82.7	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.011	20%	0.198	C	C	.	.			trans	-64	145.5	177.5	-64.6	-17.6	0	0	0	110.6	T709 Y711 R779 P796 L797	D32-T709 WeakPolarHBondContact CA-O 3.4Å; D32-T709 WeakPolarHBondContact CB-O 3.37Å; D32-T709 PolarHBondContact OD1-N 2.91Å; D32-T709 VanDerWaalsContact OD1-N 3.12Å; D32-Y711 HydrophobicContact CB-CD2 4.49Å; D32-Y711 HydrophobicContact CB-CE2 4.26Å; D32-R779 IonicContact OD1-CZ 3.21Å; D32-R779 VanDerWaalsContact OD1-CZ 3.27Å; D32-R779 IonicContact OD1-NE 2.89Å; D32-R779 PolarHBondContact OD1-NE 2.86Å; D32-R779 IonicContact OD1-NH2 2.68Å; D32-R779 PolarHBondContact OD1-NH2 2.69Å; D32-R779 IonicContact OD2-NE 2.72Å; D32-P796 HydrophobicContact CB-CB 3.9Å; D32-L797 PolarHBondContact N-O 2.97Å; D32-L797 WeakPolarHBondContact OD2-CB 3.49Å; D32-L797 PolarHBondContact OD2-N 2.99Å
33	V	97.9	Very high	85	Confident	3 Å²	3	33 Å²	33	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.5	-174.9	178.7	0	0	0	0	110	V35 C45 S46 F48 T709 I710 Y711	V33-V35 HydrophobicContact CG1-CG2 4.24Å; V33-C45 HydrophobicContact CG1-CB 4.3Å; V33-S46 WeakPolarHBondContact CA-OG 3.4Å; V33-F48 HydrophobicContact CG1-CD2 4.21Å; V33-F48 HydrophobicContact CG1-CE2 3.81Å; V33-F48 HydrophobicContact CG1-CZ 3.98Å; V33-F48 HydrophobicContact CG2-CD1 3.89Å; V33-F48 HydrophobicContact CG2-CD2 4.23Å; V33-F48 HydrophobicContact CG2-CE1 4.08Å; V33-F48 HydrophobicContact CG2-CE2 4.41Å; V33-F48 HydrophobicContact CG2-CG 3.97Å; V33-F48 HydrophobicContact CG2-CZ 4.33Å; V33-T709 PolarHBondContact N-O 2.9Å; V33-I710 HydrophobicContact CB-CG1 4.27Å; V33-I710 HydrophobicContact CB-CG2 4.25Å; V33-I710 HydrophobicContact CG1-CG2 4.3Å; V33-I710 CarbonylContact O-C 3.5Å; V33-I710 WeakPolarHBondContact O-CA 3.38Å; V33-Y711 PolarHBondContact O-N 3.48Å
34	I	98.4	Very high	87.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.5	173.4	-47.4	-173.3	0	0	0	108	V36 C45 S46 W713 L765 P796 M798 I828 L831	I34-V36 HydrophobicContact CG2-CG2 4.13Å; I34-C45 CarbonylContact O-C 3.55Å; I34-C45 VanDerWaalsContact O-CA 3.24Å; I34-C45 WeakPolarHBondContact O-CA 3.3Å; I34-S46 PolarHBondContact N-OG 2.81Å; I34-S46 PolarHBondContact O-N 2.68Å; I34-W713 HydrophobicContact CD1-CH2 4.47Å; I34-W713 HydrophobicContact CD1-CZ3 4.07Å; I34-W713 HydrophobicContact CG2-CD2 4.27Å; I34-W713 HydrophobicContact CG2-CE3 3.59Å; I34-W713 HydrophobicContact CG2-CZ3 3.89Å; I34-L765 HydrophobicContact CD1-CD1 3.78Å; I34-P796 HydrophobicContact CD1-CB 4.18Å; I34-P796 HydrophobicContact CD1-CG 3.68Å; I34-P796 HydrophobicContact CG1-CB 3.91Å; I34-P796 HydrophobicContact CG1-CG 3.77Å; I34-M798 HydrophobicContact CD1-SD 4.43Å; I34-I828 HydrophobicContact CD1-CD1 3.93Å; I34-I828 HydrophobicContact CD1-CG1 4.09Å; I34-I828 HydrophobicContact CD1-CG2 3.98Å; I34-L831 HydrophobicContact CB-CD1 4.19Å; I34-L831 HydrophobicContact CG2-CD1 4.39Å
35	V	98.3	Very high	89.6	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.6	171.9	179.3	0	0	0	0	108.1	V33 F43 H44 C45 I680 L685 I710 Y711 L712 W713	V33-V35 HydrophobicContact CG1-CG2 4.24Å; V35-F43 HydrophobicContact CG1-CB 4.19Å; V35-F43 HydrophobicContact CG1-CD1 3.98Å; V35-F43 HydrophobicContact CG1-CG 4.46Å; V35-H44 CarbonylContact C-O 3.55Å; V35-H44 WeakPolarHBondContact CA-O 3.2Å; V35-C45 HydrophobicContact CG2-CB 3.96Å; V35-I680 HydrophobicContact CG1-CG2 3.65Å; V35-I680 HydrophobicContact CG2-CG2 4.46Å; V35-L685 HydrophobicContact CB-CD1 4.23Å; V35-L685 HydrophobicContact CG1-CD1 4.27Å; V35-L685 HydrophobicContact CG2-CD1 3.87Å; V35-I710 HydrophobicContact CG2-CG2 3.62Å; V35-Y711 PolarHBondContact N-O 3.37Å; V35-L712 HydrophobicContact CB-CD1 4.02Å; V35-L712 HydrophobicContact CG1-CD1 3.6Å; V35-L712 WeakPolarHBondContact O-CA 3.33Å; V35-W713 PolarHBondContact O-N 3.31Å
36	V	98	Very high	92.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119	178.9	-174.1	0	0	0	0	109.5	I34 Q38 H44 W713 W715 L831 F832	I34-V36 HydrophobicContact CG2-CG2 4.13Å; V36-Q38 PolarHBondContact O-N 3.18Å; V36-Q38 PolarHBondContact O-NE2 3.3Å; V36-H44 PolarHBondContact N-O 2.87Å; V36-H44 PolarHBondContact O-N 2.94Å; V36-H44 VanDerWaalsContact O-N 3.1Å; V36-W713 WeakPolarHBondContact CA-O 3.42Å; V36-W715 HydrophobicContact CG1-CB 4.14Å; V36-L831 HydrophobicContact CB-CB 4.16Å; V36-L831 WeakPolarHBondContact CB-O 3.38Å; V36-L831 WeakPolarHBondContact CG1-O 3.19Å; V36-L831 HydrophobicContact CG2-CB 3.64Å; V36-L831 HydrophobicContact CG2-CD1 4.41Å; V36-F832 HydrophobicContact CG1-CD1 4.02Å; V36-F832 HydrophobicContact CG1-CE1 4.36Å; V36-F832 HydrophobicContact CG1-CG 4.42Å; V36-F832 HydrophobicContact CG2-CD1 4.31Å; V36-F832 HydrophobicContact CG2-CD2 4.38Å; V36-F832 HydrophobicContact CG2-CE1 4.1Å; V36-F832 HydrophobicContact CG2-CE2 4.17Å; V36-F832 HydrophobicContact CG2-CG 4.46Å; V36-F832 HydrophobicContact CG2-CZ 4.03Å
37	R	97.2	Very high	94	Very high	68 Å²	68	27.6 Å²	27.6	26%	0.257	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.5	170.1	-173.5	-173.5	-70.4	130.1	-5.3	109.1	F43 D687 W713 N714 W715	R37-F43 HydrophobicContact CB-CD1 4.19Å; R37-F43 HydrophobicContact CB-CE1 3.99Å; R37-F43 HydrophobicContact CG-CD1 4.44Å; R37-F43 HydrophobicContact CG-CE1 3.94Å; R37-D687 IonicContact CZ-OD1 2.58Å; R37-D687 VanDerWaalsContact CZ-OD1 3.24Å; R37-D687 IonicContact NH1-OD1 3.95Å; R37-D687 PolarHBondContact NH1-OD1 3.21Å; R37-D687 IonicContact NH1-OD2 2.67Å; R37-D687 IonicContact NH2-OD1 3.6Å; R37-D687 PolarHBondContact NH2-OD1 3.36Å; R37-W713 PolarHBondContact N-O 3.46Å; R37-N714 PolarHBondContact NH1-OD1 2.9Å; R37-N714 VanDerWaalsContact NH1-OD1 3.13Å; R37-W715 PolarHBondContact O-N 3.05Å
38	Q	96.4	Very high	95.2	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.056	15%	0.147	C	C	.	.			trans	-78.2	165.2	-179.4	-53.6	-55.4	-74.3	0	0	111	V36 D40 G41 T42 H44 L831 H833	V36-Q38 PolarHBondContact O-N 3.18Å; V36-Q38 PolarHBondContact O-NE2 3.3Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.42Å; Q38-D40 PolarHBondContact O-N 3.47Å; Q38-G41 PolarHBondContact O-N 3.22Å; Q38-G41 VanDerWaalsContact O-N 3.12Å; Q38-T42 WeakPolarHBondContact CB-O 3.45Å; Q38-T42 WeakPolarHBondContact CB-OG1 3.2Å; Q38-T42 WeakPolarHBondContact CG-O 3.32Å; Q38-T42 WeakPolarHBondContact CG-OG1 3.11Å; Q38-T42 PolarHBondContact N-O 3.03Å; Q38-H44 VanDerWaalsContact CD-CD2 3.48Å; Q38-H44 PolarHBondContact OE1-CD2 3.27Å; Q38-L831 PolarHBondContact NE2-O 3.01Å; Q38-H833 PolarHBondContact OE1-O 2.91Å
39	P	93.8	Very high	95.6	Very high	77 Å²	77	26.9 Å²	26.9	50%	0.5	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.8	-178.9	-18.2	28.2	0	0	0	114.9	G41 W715 P834	P39-G41 VanDerWaalsContact C-N 3.34Å; P39-W715 HydrophobicContact CG-CD2 3.78Å; P39-W715 HydrophobicContact CG-CE3 4.42Å; P39-W715 HydrophobicContact CG-CG 3.84Å; P39-W715 HydrophobicContact CG-CZ2 4.4Å; P39-P834 HydrophobicContact CG-CG 4.28Å
40	D	93.3	Very high	95.8	Very high	121 Å²	121	27.2 Å²	27.2	65%	0.647	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.4	178.6	63.8	0	0	0	0	113.5	Q38 T42	Q38-D40 WeakPolarHBondContact CB-OD1 3.42Å; Q38-D40 PolarHBondContact O-N 3.47Å; D40-T42 WeakPolarHBondContact OD1-CB 3.36Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.36Å; D40-T42 PolarHBondContact OD1-N 2.9Å; D40-T42 PolarHBondContact OD1-OG1 2.86Å; D40-T42 PolarHBondContact OD2-OG1 2.72Å
41	G	92.8	Very high	95.6	Very high	43 Å²	43	29.1 Å²	29.1	44%	0.443	16%	0.159	S	C	.	.	S	Bend	trans	87.6	-0.4	-176.5	0	0	0	0	0	114.9	Q38 P39	Q38-G41 PolarHBondContact O-N 3.22Å; Q38-G41 VanDerWaalsContact O-N 3.12Å; P39-G41 VanDerWaalsContact C-N 3.34Å
42	T	95.8	Very high	95.2	Very high	46 Å²	46	28.9 Å²	28.9	28%	0.282	16%	0.158	S	C	.	.			trans	-73.6	168.8	171.4	65.9	0	0	0	0	111.7	Q38 D40 S677	Q38-T42 WeakPolarHBondContact CB-O 3.45Å; Q38-T42 WeakPolarHBondContact CB-OG1 3.2Å; Q38-T42 WeakPolarHBondContact CG-O 3.32Å; Q38-T42 WeakPolarHBondContact CG-OG1 3.11Å; Q38-T42 PolarHBondContact N-O 3.03Å; D40-T42 WeakPolarHBondContact OD1-CB 3.36Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.36Å; D40-T42 PolarHBondContact OD1-N 2.9Å; D40-T42 PolarHBondContact OD1-OG1 2.86Å; D40-T42 PolarHBondContact OD2-OG1 2.72Å; T42-S677 WeakPolarHBondContact CA-OG 3.26Å; T42-S677 WeakPolarHBondContact CB-OG 3.4Å
43	F	97.1	Very high	94.2	Very high	35 Å²	35	29 Å²	29	15%	0.154	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.6	-179.6	-58.4	-81	0	0	0	112.3	V35 R37 S677 I680 A681 L712	V35-F43 HydrophobicContact CG1-CB 4.19Å; V35-F43 HydrophobicContact CG1-CD1 3.98Å; V35-F43 HydrophobicContact CG1-CG 4.46Å; R37-F43 HydrophobicContact CB-CD1 4.19Å; R37-F43 HydrophobicContact CB-CE1 3.99Å; R37-F43 HydrophobicContact CG-CD1 4.44Å; R37-F43 HydrophobicContact CG-CE1 3.94Å; F43-S677 PolarHBondContact N-OG 3.43Å; F43-I680 HydrophobicContact CB-CB 3.93Å; F43-I680 HydrophobicContact CB-CD1 3.87Å; F43-I680 HydrophobicContact CB-CG2 3.63Å; F43-I680 HydrophobicContact CD1-CG2 4.2Å; F43-I680 HydrophobicContact CD2-CB 4.46Å; F43-I680 HydrophobicContact CD2-CG2 4.19Å; F43-I680 HydrophobicContact CG-CB 4.31Å; F43-I680 HydrophobicContact CG-CG2 3.75Å; F43-A681 HydrophobicContact CD2-CB 4.29Å; F43-A681 HydrophobicContact CE2-CB 3.98Å; F43-L712 HydrophobicContact CD1-CD1 4.12Å; F43-L712 HydrophobicContact CE1-CD1 4.03Å
44	H	96.6	Very high	92.7	Very high	81 Å²	81	36.9 Å²	36.9	38%	0.375	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.7	169.1	-67.9	-8.4	0	0	0	109.3	V35 V36 Q38 L831	V35-H44 CarbonylContact C-O 3.55Å; V35-H44 WeakPolarHBondContact CA-O 3.2Å; V36-H44 PolarHBondContact N-O 2.87Å; V36-H44 PolarHBondContact O-N 2.94Å; V36-H44 VanDerWaalsContact O-N 3.1Å; Q38-H44 VanDerWaalsContact CD-CD2 3.48Å; Q38-H44 PolarHBondContact OE1-CD2 3.27Å; H44-L831 HydrophobicContact CB-CD2 4.08Å
45	C	97.3	Very high	90.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.7	179	74.5	0	0	0	0	112.8	V33 I34 V35 F48 R674 I680 L831	V33-C45 HydrophobicContact CG1-CB 4.3Å; I34-C45 CarbonylContact O-C 3.55Å; I34-C45 VanDerWaalsContact O-CA 3.24Å; I34-C45 WeakPolarHBondContact O-CA 3.3Å; V35-C45 HydrophobicContact CG2-CB 3.96Å; C45-F48 HydrophobicContact CB-CE2 4.32Å; C45-R674 PolarHBondContact O-NE 3.06Å; C45-R674 PolarHBondContact O-NH1 3.36Å; C45-R674 PolarHBondContact O-NH2 3.36Å; C45-I680 HydrophobicContact CB-CD1 3.79Å; C45-L831 WeakPolarHBondContact O-CD2 3.23Å
46	S	97	Very high	89.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.			trans	-65.1	168.6	161.4	68.4	0	0	0	0	110.9	V33 I34	V33-S46 WeakPolarHBondContact CA-OG 3.4Å; I34-S46 PolarHBondContact N-OG 2.81Å; I34-S46 PolarHBondContact O-N 2.68Å
47	P	95.4	Very high	87.3	Confident	19 Å²	19	46.5 Å²	46.5	12%	0.123	26%	0.26	C	S	.	.			trans	-69.8	135	177.7	-14.6	29.8	0	0	0	112.1	H49 L673 D827	P47-H49 VanDerWaalsContact C-N 3.3Å; P47-H49 PolarHBondContact O-N 2.88Å; P47-L673 CarbonylContact C-O 3.54Å; P47-L673 WeakPolarHBondContact CA-O 3.1Å; P47-L673 HydrophobicContact CB-CB 3.9Å; P47-L673 HydrophobicContact CB-CD1 4.48Å; P47-D827 WeakPolarHBondContact CD-OD2 3.35Å
48	F	95.6	Very high	85.5	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.018	26%	0.255	C	S	.	.			trans	-74.3	79.6	170.7	-75.5	-110	0	0	0	109.9	V33 C45 V50 M78 F88 L673 L675 F694 I710	V33-F48 HydrophobicContact CG1-CD2 4.21Å; V33-F48 HydrophobicContact CG1-CE2 3.81Å; V33-F48 HydrophobicContact CG1-CZ 3.98Å; V33-F48 HydrophobicContact CG2-CD1 3.89Å; V33-F48 HydrophobicContact CG2-CD2 4.23Å; V33-F48 HydrophobicContact CG2-CE1 4.08Å; V33-F48 HydrophobicContact CG2-CE2 4.41Å; V33-F48 HydrophobicContact CG2-CG 3.97Å; V33-F48 HydrophobicContact CG2-CZ 4.33Å; C45-F48 HydrophobicContact CB-CE2 4.32Å; F48-V50 PolarHBondContact O-N 3.24Å; F48-M78 HydrophobicContact CB-CE 3.9Å; F48-F88 HydrophobicContact CB-CE2 3.77Å; F48-F88 HydrophobicContact CB-CZ 4.32Å; F48-F88 HydrophobicContact CD1-CE2 4.12Å; F48-F88 AromaticContact CD1-CZ 3.92Å; F48-F88 HydrophobicContact CD1-CZ 3.92Å; F48-F88 AromaticContact CD2-CE2 3.8Å; F48-F88 HydrophobicContact CD2-CE2 3.8Å; F48-F88 HydrophobicContact CD2-CZ 4.31Å; F48-F88 HydrophobicContact CE1-CZ 4.29Å; F48-F88 HydrophobicContact CE2-CE2 4.4Å; F48-F88 AromaticContact CG-CE2 3.64Å; F48-F88 HydrophobicContact CG-CE2 3.64Å; F48-F88 AromaticContact CG-CZ 3.94Å; F48-F88 HydrophobicContact CG-CZ 3.94Å; F48-L673 PolarHBondContact N-O 3.04Å; F48-L675 HydrophobicContact CE2-CD1 3.92Å; F48-L675 HydrophobicContact CE2-CG 4.05Å; F48-L675 HydrophobicContact CZ-CD1 3.74Å; F48-L675 HydrophobicContact CZ-CG 4.36Å; F48-F694 HydrophobicContact CD1-CE1 4.26Å; F48-F694 HydrophobicContact CD1-CZ 4Å; F48-F694 HydrophobicContact CE1-CZ 4.45Å; F48-I710 HydrophobicContact CE1-CD1 4.07Å; F48-I710 HydrophobicContact CZ-CD1 4.32Å
49	H	93.5	Very high	83.9	Confident	44 Å²	44	50.4 Å²	50.4	20%	0.204	28%	0.276	C	S	.	.			trans	-79.6	96.8	171.7	-66.8	-62	0	0	0	110	C30 I31 P47 I772 P801	C30-H49 WeakPolarHBondContact CA-O 3.42Å; I31-H49 HydrophobicContact CB-CB 4.06Å; I31-H49 HydrophobicContact CD1-CB 3.7Å; I31-H49 HydrophobicContact CG1-CB 3.83Å; I31-H49 PolarHBondContact N-O 2.83Å; P47-H49 VanDerWaalsContact C-N 3.3Å; P47-H49 PolarHBondContact O-N 2.88Å; H49-I772 HydrophobicContact CB-CD1 4.09Å; H49-I772 WeakPolarHBondContact O-CD1 3.41Å; H49-P801 HydrophobicContact CB-CB 4.3Å
50	V	92.9	Very high	82.5	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.5	172.4	-176.5	0	0	0	0	108.5	C30 F48 F52 M78 A86 F694	C30-V50 HydrophobicContact CB-CB 4.22Å; C30-V50 HydrophobicContact CB-CG1 4.17Å; C30-V50 HydrophobicContact CB-CG2 3.9Å; F48-V50 PolarHBondContact O-N 3.24Å; V50-F52 HydrophobicContact CG1-CE2 3.94Å; V50-F52 HydrophobicContact CG1-CZ 4.45Å; V50-M78 HydrophobicContact CG2-CE 4.35Å; V50-M78 HydrophobicContact CG2-SD 4.25Å; V50-A86 HydrophobicContact CB-CB 3.86Å; V50-A86 HydrophobicContact CG1-CB 4.26Å; V50-A86 WeakPolarHBondContact O-CB 3.4Å; V50-A86 PolarHBondContact O-N 3.42Å; V50-F694 HydrophobicContact CB-CD2 4.47Å; V50-F694 HydrophobicContact CB-CG 4.42Å; V50-F694 HydrophobicContact CG1-CB 3.87Å; V50-F694 HydrophobicContact CG1-CD1 4.32Å; V50-F694 HydrophobicContact CG1-CD2 3.95Å; V50-F694 HydrophobicContact CG1-CG 3.77Å; V50-F694 HydrophobicContact CG2-CD1 3.83Å; V50-F694 HydrophobicContact CG2-CD2 3.64Å; V50-F694 HydrophobicContact CG2-CE1 3.7Å; V50-F694 HydrophobicContact CG2-CE2 3.49Å; V50-F694 VanDerWaalsContact CG2-CE2 3.49Å; V50-F694 HydrophobicContact CG2-CG 3.81Å; V50-F694 HydrophobicContact CG2-CZ 3.53Å
51	R	88.1	Confident	81.1	Confident	42 Å²	42	53 Å²	53	16%	0.158	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.9	177.2	-176.8	-177.2	-179	83.1	7.2	110.1	S28 G29 N83 G84 I772 S803	S28-R51 CarbonylContact C-O 3.6Å; S28-R51 VanDerWaalsContact CA-O 3.25Å; S28-R51 WeakPolarHBondContact CA-O 3.35Å; G29-R51 PolarHBondContact N-O 3.1Å; G29-R51 PolarHBondContact O-N 2.87Å; G29-R51 VanDerWaalsContact O-O 3.1Å; R51-N83 PolarHBondContact NH1-O 2.96Å; R51-N83 VanDerWaalsContact NH1-O 3.08Å; R51-N83 PolarHBondContact NH2-O 2.83Å; R51-G84 WeakPolarHBondContact CA-O 3.33Å; R51-G84 WeakPolarHBondContact CG-O 3.31Å; R51-I772 HydrophobicContact CB-CD1 3.88Å; R51-I772 HydrophobicContact CB-CG1 4.49Å; R51-I772 HydrophobicContact CB-CG2 4.38Å; R51-S803 VanDerWaalsContact NE-CB 3.29Å; R51-S803 PolarHBondContact NE-OG 3.08Å
52	F	86.4	Confident	80	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.			trans	-98.8	149	164.9	-66.1	-89.6	0	0	0	110.3	S28 V50 L55 I65 L80 G84 F694 I696 C704 C706	S28-F52 WeakPolarHBondContact OG-CA 3.41Å; V50-F52 HydrophobicContact CG1-CE2 3.94Å; V50-F52 HydrophobicContact CG1-CZ 4.45Å; F52-L55 HydrophobicContact CB-CD1 3.64Å; F52-L55 HydrophobicContact CG-CD1 4.35Å; F52-I65 HydrophobicContact CD2-CD1 4.2Å; F52-I65 HydrophobicContact CE2-CD1 3.86Å; F52-I65 HydrophobicContact CE2-CG1 4Å; F52-I65 HydrophobicContact CE2-CG2 3.91Å; F52-I65 HydrophobicContact CZ-CG2 4.15Å; F52-L80 HydrophobicContact CB-CD1 4.13Å; F52-L80 HydrophobicContact CD2-CD1 3.71Å; F52-L80 HydrophobicContact CG-CD1 4.32Å; F52-G84 PolarHBondContact N-O 2.71Å; F52-F694 HydrophobicContact CE2-CB 4.47Å; F52-F694 HydrophobicContact CZ-CB 3.98Å; F52-I696 HydrophobicContact CD1-CG2 3.49Å; F52-I696 VanDerWaalsContact CD1-CG2 3.49Å; F52-I696 HydrophobicContact CD2-CG2 4.27Å; F52-I696 HydrophobicContact CE1-CB 4.33Å; F52-I696 HydrophobicContact CE1-CG2 3.5Å; F52-I696 HydrophobicContact CE2-CG2 4.28Å; F52-I696 HydrophobicContact CG-CG2 3.88Å; F52-I696 HydrophobicContact CZ-CB 4.27Å; F52-I696 HydrophobicContact CZ-CG2 3.91Å; F52-C704 HydrophobicContact CD1-CB 4.22Å; F52-C704 HydrophobicContact CE1-CB 4.44Å; F52-C706 HydrophobicContact CE1-CB 4.19Å; F52-C706 HydrophobicContact CZ-CB 4.48Å
53	G	76.3	Confident	79.4	Confident	5 Å²	5	51 Å²	51	5%	0.052	26%	0.256	C	S	.	.			trans	-57.5	170	170.1	0	0	0	0	0	111.9	S28 L55	S28-G53 PolarHBondContact OG-N 3.01Å; G53-L55 VanDerWaalsContact C-N 3.28Å; G53-L55 PolarHBondContact O-N 3.18Å
54	K	66.9	Low	79.1	Confident	167 Å²	167	50.8 Å²	50.8	73%	0.726	26%	0.257	S	S	*	.			trans	-66.2	84.6	179.6	-169.4	173.8	-179.5	173.2	0	113	A25 T26	A25-K54 PolarHBondContact O-N 2.8Å; A25-K54 VanDerWaalsContact O-N 3.1Å; T26-K54 HydrophobicContact CG2-CB 4.46Å
55	L	60.6	Low	78.9	Confident	18 Å²	18	46.9 Å²	46.9	9%	0.094	24%	0.239	C	C	.	.			trans	-61.8	163.1	164	-57.5	139.3	0	0	0	109.7	F52 G53 L58 L80 I696 T698 C704	F52-L55 HydrophobicContact CB-CD1 3.64Å; F52-L55 HydrophobicContact CG-CD1 4.35Å; G53-L55 VanDerWaalsContact C-N 3.28Å; G53-L55 PolarHBondContact O-N 3.18Å; L55-L58 HydrophobicContact CB-CD1 3.97Å; L55-L58 HydrophobicContact CB-CD2 4.22Å; L55-L58 HydrophobicContact CB-CG 4.27Å; L55-L58 HydrophobicContact CD1-CD1 4.21Å; L55-L80 HydrophobicContact CD1-CD2 3.82Å; L55-I696 HydrophobicContact CD1-CD1 4.14Å; L55-I696 HydrophobicContact CD1-CG2 4.18Å; L55-I696 HydrophobicContact CD2-CG2 4.47Å; L55-T698 HydrophobicContact CD2-CG2 3.96Å; L55-C704 HydrophobicContact CD2-CB 4.38Å
56	G	60.3	Low	78.7	Confident	46 Å²	46	49.6 Å²	49.6	47%	0.474	25%	0.253	S	S	.	.			trans	-73.8	-154.1	-172	0	0	0	0	0	115.6	L58	G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 3.44Å
57	V	60.5	Low	78.7	Confident	139 Å²	139	50 Å²	50	84%	0.842	26%	0.256	S	S	*	.	S	Bend	trans	-75.6	88	171.7	-178.1	0	0	0	0	108.9
58	L	60.1	Low	78.7	Confident	28 Å²	28	51.2 Å²	51.2	15%	0.147	26%	0.259	C	S	.	.			trans	-76.1	138.2	-178	-60.4	-179.3	0	0	0	112.5	L55 G56 E62 K63 L80 I696 T698	L55-L58 HydrophobicContact CB-CD1 3.97Å; L55-L58 HydrophobicContact CB-CD2 4.22Å; L55-L58 HydrophobicContact CB-CG 4.27Å; L55-L58 HydrophobicContact CD1-CD1 4.21Å; G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 3.44Å; L58-E62 WeakPolarHBondContact CA-OE2 3.38Å; L58-E62 HydrophobicContact CB-CB 4.19Å; L58-E62 HydrophobicContact CD2-CB 4.24Å; L58-K63 HydrophobicContact CB-CG 4.15Å; L58-K63 HydrophobicContact CD1-CG 4.4Å; L58-L80 HydrophobicContact CD1-CD2 3.55Å; L58-I696 HydrophobicContact CD1-CD1 4.39Å; L58-T698 HydrophobicContact CD2-CG2 3.54Å
59	R	62	Low	78.8	Confident	134 Å²	134	51.4 Å²	51.4	51%	0.506	26%	0.26	S	S	.	.			trans	-70.3	160.1	167.4	-55.2	-177.8	-159	-119.8	4.7	110.3	R61 E62	R59-R61 PolarHBondContact O-N 2.97Å; R59-E62 HydrophobicContact CB-CG 4.17Å; R59-E62 WeakPolarHBondContact CD-OE1 3.47Å; R59-E62 WeakPolarHBondContact CG-OE1 3.44Å; R59-E62 PolarHBondContact N-OE2 3.1Å; R59-E62 IonicContact NE-OE1 2.79Å; R59-E62 PolarHBondContact NE-OE1 3.47Å; R59-E62 WeakPolarHBondContact O-CB 3.43Å; R59-E62 PolarHBondContact O-N 2.99Å
60	S	64.1	Low	78.9	Confident	86 Å²	86	51.1 Å²	51.1	60%	0.601	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.6	178.2	52	0	0	0	0	114.4
61	R	63.7	Low	78.9	Confident	166 Å²	166	53.6 Å²	53.6	63%	0.626	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-73.6	-23.8	173.7	-66.8	-174.2	178.9	-171.3	-3.1	113.8	R59 K63	R59-R61 PolarHBondContact O-N 2.97Å; R61-K63 PolarHBondContact O-N 3.4Å
62	E	70.9	Confident	79.3	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.042	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-88.3	7.9	179.3	-62.4	155	-161	0	0	111.6	L58 R59 I696 Q699	L58-E62 WeakPolarHBondContact CA-OE2 3.38Å; L58-E62 HydrophobicContact CB-CB 4.19Å; L58-E62 HydrophobicContact CD2-CB 4.24Å; R59-E62 HydrophobicContact CB-CG 4.17Å; R59-E62 WeakPolarHBondContact CD-OE1 3.47Å; R59-E62 WeakPolarHBondContact CG-OE1 3.44Å; R59-E62 PolarHBondContact N-OE2 3.1Å; R59-E62 IonicContact NE-OE1 2.79Å; R59-E62 PolarHBondContact NE-OE1 3.47Å; R59-E62 WeakPolarHBondContact O-CB 3.43Å; R59-E62 PolarHBondContact O-N 2.99Å; E62-I696 WeakPolarHBondContact O-CD1 3.45Å; E62-Q699 HydrophobicContact CG-CG 4.49Å; E62-Q699 WeakPolarHBondContact OE1-CG 3.46Å; E62-Q699 PolarHBondContact OE1-NE2 2.68Å; E62-Q699 PolarHBondContact OE1-OE1 3.18Å
63	K	82.3	Confident	79.6	Confident	40 Å²	40	63 Å²	63	17%	0.174	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-105.2	11.6	176.1	-71.2	-173.3	165.5	-164.3	0	113.1	L58 R61 K79 L80 D82	L58-K63 HydrophobicContact CB-CG 4.15Å; L58-K63 HydrophobicContact CD1-CG 4.4Å; R61-K63 PolarHBondContact O-N 3.4Å; K63-K79 CarbonylContact O-C 3.52Å; K63-K79 VanDerWaalsContact O-CA 3.29Å; K63-K79 WeakPolarHBondContact O-CA 3.41Å; K63-L80 HydrophobicContact CB-CB 4.27Å; K63-L80 HydrophobicContact CG-CB 4.41Å; K63-L80 PolarHBondContact O-N 3.13Å; K63-D82 IonicContact NZ-OD1 2.73Å; K63-D82 PolarHBondContact NZ-OD1 2.85Å; K63-D82 IonicContact NZ-OD2 2.69Å
64	V	89.8	Confident	80.5	Confident	29 Å²	29	64.1 Å²	64.1	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.6	168.3	-170.9	0	0	0	0	107.9	H77 I108	V64-H77 HydrophobicContact CG1-CB 3.99Å; V64-I108 HydrophobicContact CG1-CG2 4.27Å; V64-I108 HydrophobicContact CG2-CG2 3.97Å
65	I	92.6	Very high	81.5	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	177.3	-62	158.3	0	0	0	106.8	F52 H77 M78 L80 A86 F694 S695 I696	F52-I65 HydrophobicContact CD2-CD1 4.2Å; F52-I65 HydrophobicContact CE2-CD1 3.86Å; F52-I65 HydrophobicContact CE2-CG1 4Å; F52-I65 HydrophobicContact CE2-CG2 3.91Å; F52-I65 HydrophobicContact CZ-CG2 4.15Å; I65-H77 WeakPolarHBondContact O-CA 3.26Å; I65-M78 HydrophobicContact CB-CB 3.93Å; I65-M78 HydrophobicContact CD1-CB 4.12Å; I65-M78 HydrophobicContact CG2-CB 4.28Å; I65-M78 PolarHBondContact N-O 3.03Å; I65-M78 PolarHBondContact O-N 2.81Å; I65-L80 HydrophobicContact CD1-CB 4Å; I65-L80 HydrophobicContact CD1-CD1 3.88Å; I65-L80 HydrophobicContact CG1-CB 4.44Å; I65-A86 HydrophobicContact CD1-CB 3.46Å; I65-A86 VanDerWaalsContact CD1-CB 3.46Å; I65-F694 HydrophobicContact CG2-CB 4.12Å; I65-S695 CarbonylContact C-O 3.55Å; I65-S695 VanDerWaalsContact CA-O 3.31Å; I65-S695 WeakPolarHBondContact CA-O 3.35Å; I65-S695 WeakPolarHBondContact CG2-O 3.37Å; I65-I696 HydrophobicContact CG1-CB 4.27Å; I65-I696 HydrophobicContact CG1-CD1 4.02Å; I65-I696 HydrophobicContact CG1-CG1 4.37Å
66	D	93.9	Very high	83	Confident	60 Å²	60	65.6 Å²	65.6	32%	0.321	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	147	-178.5	-45.9	-48.5	0	0	0	109.2	H77 S695	D66-H77 IonicContact OD1-CD2 2.86Å; D66-S695 PolarHBondContact N-O 2.86Å; D66-S695 PolarHBondContact O-N 2.91Å
67	I	96.1	Very high	84.4	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.9	-176.1	-51.7	180	0	0	0	109.7	I69 V74 L76 M78 F88 V692 F694	I67-I69 HydrophobicContact CG2-CD1 4.46Å; I67-I69 HydrophobicContact CG2-CG1 4.06Å; I67-V74 HydrophobicContact CB-CG2 3.7Å; I67-V74 HydrophobicContact CG2-CG2 3.82Å; I67-V74 PolarHBondContact O-N 2.99Å; I67-L76 WeakPolarHBondContact CD1-O 3.37Å; I67-L76 WeakPolarHBondContact CG1-O 3.35Å; I67-M78 HydrophobicContact CD1-CG 4.15Å; I67-M78 HydrophobicContact CD1-SD 4.36Å; I67-F88 HydrophobicContact CD1-CE1 3.87Å; I67-F88 HydrophobicContact CD1-CZ 4.33Å; I67-V692 HydrophobicContact CG2-CG2 3.81Å; I67-F694 HydrophobicContact CD1-CD1 4.36Å; I67-F694 HydrophobicContact CD1-CE1 4.1Å; I67-F694 HydrophobicContact CG1-CD1 4Å; I67-F694 HydrophobicContact CG1-CE1 4.18Å; I67-F694 HydrophobicContact CG2-CD1 4.48Å; I67-F694 HydrophobicContact CG2-CE1 4.26Å
68	E	96.6	Very high	86	Confident	44 Å²	44	60.7 Å²	60.7	21%	0.206	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.3	169.4	-56.8	162.2	-169.2	0	0	108.3	E72 V692 T693 R705	E68-E72 CarbonylContact C-O 3.52Å; E68-E72 WeakPolarHBondContact CA-O 3.48Å; E68-V692 WeakPolarHBondContact O-CA 3.28Å; E68-T693 PolarHBondContact N-O 3.48Å; E68-T693 PolarHBondContact O-N 2.85Å; E68-R705 IonicContact OE1-CZ 3.59Å; E68-R705 IonicContact OE1-NH2 2.72Å; E68-R705 PolarHBondContact OE1-NH2 3.24Å; E68-R705 IonicContact OE2-CZ 2.69Å; E68-R705 IonicContact OE2-NH2 3.24Å; E68-R705 PolarHBondContact OE2-NH2 2.88Å
69	I	96.8	Very high	87.5	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.2	176.5	-61.2	-177.7	0	0	0	109.5	I67 G71 E72 V74 L683 L685 N690 D691 V692 I710	I67-I69 HydrophobicContact CG2-CD1 4.46Å; I67-I69 HydrophobicContact CG2-CG1 4.06Å; I69-G71 PolarHBondContact O-N 2.83Å; I69-G71 VanDerWaalsContact O-N 3.1Å; I69-E72 PolarHBondContact N-O 3.37Å; I69-E72 PolarHBondContact O-N 3.14Å; I69-V74 HydrophobicContact CB-CG1 4.33Å; I69-V74 HydrophobicContact CD1-CG1 4.14Å; I69-V74 HydrophobicContact CD1-CG2 4.48Å; I69-V74 HydrophobicContact CG1-CG1 4.22Å; I69-L683 HydrophobicContact CD1-CB 3.99Å; I69-L683 HydrophobicContact CD1-CD1 3.83Å; I69-L683 HydrophobicContact CD1-CD2 3.72Å; I69-L683 HydrophobicContact CD1-CG 4.03Å; I69-L685 HydrophobicContact CD1-CD2 4.46Å; I69-L685 HydrophobicContact CG2-CD2 4.08Å; I69-N690 HydrophobicContact CG2-CB 4.34Å; I69-D691 CarbonylContact C-O 3.59Å; I69-D691 WeakPolarHBondContact CA-O 3.08Å; I69-V692 HydrophobicContact CG1-CB 4.41Å; I69-V692 HydrophobicContact CG1-CG2 4.06Å; I69-I710 HydrophobicContact CD1-CD1 3.97Å
70	N	96.1	Very high	88.7	Confident	39 Å²	39	54.4 Å²	54.4	21%	0.209	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	26	-172.3	-61	-59.2	0	0	0	113.6	N690 D691	N70-N690 PolarHBondContact ND2-OD1 2.86Å; N70-N690 WeakPolarHBondContact OD1-CA 3.48Å; N70-D691 PolarHBondContact N-O 3.29Å; N70-D691 PolarHBondContact OD1-N 3.16Å
71	G	93.4	Very high	89.7	Confident	58 Å²	58	50.7 Å²	50.7	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-6.3	-175.5	0	0	0	0	0	116	I69	I69-G71 PolarHBondContact O-N 2.83Å; I69-G71 VanDerWaalsContact O-N 3.1Å
72	E	95.3	Very high	90.4	Very high	137 Å²	137	49.4 Å²	49.4	64%	0.64	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	131.9	-179.7	-62.5	-67.6	162	0	0	111	E68 I69	E68-E72 CarbonylContact C-O 3.52Å; E68-E72 WeakPolarHBondContact CA-O 3.48Å; I69-E72 PolarHBondContact N-O 3.37Å; I69-E72 PolarHBondContact O-N 3.14Å
73	P	93.8	Very high	90.6	Very high	103 Å²	103	54.1 Å²	54.1	67%	0.669	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.8	176.3	29.6	-34.4	0	0	0	111.4
74	V	93.8	Very high	90.6	Very high	28 Å²	28	52.6 Å²	52.6	17%	0.17	29%	0.29	C	S	.	.			trans	-110.2	150.9	177.8	-61.2	0	0	0	0	112.4	I67 I69 L76 L683	I67-V74 HydrophobicContact CB-CG2 3.7Å; I67-V74 HydrophobicContact CG2-CG2 3.82Å; I67-V74 PolarHBondContact O-N 2.99Å; I69-V74 HydrophobicContact CB-CG1 4.33Å; I69-V74 HydrophobicContact CD1-CG1 4.14Å; I69-V74 HydrophobicContact CD1-CG2 4.48Å; I69-V74 HydrophobicContact CG1-CG1 4.22Å; V74-L76 HydrophobicContact CG2-CB 4.3Å; V74-L76 PolarHBondContact O-N 3.47Å; V74-L683 HydrophobicContact CB-CD2 4.35Å; V74-L683 HydrophobicContact CG1-CD2 4.27Å; V74-L683 HydrophobicContact CG2-CD2 4.2Å
75	E	89.4	Confident	90.4	Very high	186 Å²	186	53.6 Å²	53.6	87%	0.869	29%	0.292	S	S	*	.	S	Bend	trans	-76.4	35.3	179.8	-155.2	179.1	177.5	0	0	113
76	L	90.4	Very high	90.3	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.157	29%	0.293	C	S	.	.			trans	-132.7	127.8	179.4	-72.1	174.5	0	0	0	109.4	I67 V74 L675 Q679 L683	I67-L76 WeakPolarHBondContact CD1-O 3.37Å; I67-L76 WeakPolarHBondContact CG1-O 3.35Å; V74-L76 HydrophobicContact CG2-CB 4.3Å; V74-L76 PolarHBondContact O-N 3.47Å; L76-L675 HydrophobicContact CD1-CD1 4.34Å; L76-L675 HydrophobicContact CD1-CD2 4.36Å; L76-Q679 HydrophobicContact CD1-CB 4.11Å; L76-Q679 HydrophobicContact CD1-CG 4.48Å; L76-Q679 HydrophobicContact CD2-CG 4.31Å; L76-L683 HydrophobicContact CD1-CD2 3.77Å
77	H	90.8	Very high	90.3	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.38	28%	0.28	S	S	.	.			trans	-122	140.8	-173.6	-56.6	77.5	0	0	0	109.8	V64 I65 D66 I108	V64-H77 HydrophobicContact CG1-CB 3.99Å; I65-H77 WeakPolarHBondContact O-CA 3.26Å; D66-H77 IonicContact OD1-CD2 2.86Å; H77-I108 HydrophobicContact CB-CD1 4.12Å; H77-I108 WeakPolarHBondContact O-CD1 3.36Å
78	M	93.4	Very high	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	166.7	167.5	-72.6	172.8	103.3	0	0	110.2	F48 V50 I65 I67 A86 F87 F88 F694	F48-M78 HydrophobicContact CB-CE 3.9Å; V50-M78 HydrophobicContact CG2-CE 4.35Å; V50-M78 HydrophobicContact CG2-SD 4.25Å; I65-M78 HydrophobicContact CB-CB 3.93Å; I65-M78 HydrophobicContact CD1-CB 4.12Å; I65-M78 HydrophobicContact CG2-CB 4.28Å; I65-M78 PolarHBondContact N-O 3.03Å; I65-M78 PolarHBondContact O-N 2.81Å; I67-M78 HydrophobicContact CD1-CG 4.15Å; I67-M78 HydrophobicContact CD1-SD 4.36Å; M78-A86 HydrophobicContact CB-CB 4.27Å; M78-A86 HydrophobicContact CE-CB 3.74Å; M78-A86 HydrophobicContact SD-CB 4.06Å; M78-F87 WeakPolarHBondContact CA-O 3.24Å; M78-F88 HydrophobicContact CE-CD2 4.3Å; M78-F88 HydrophobicContact CE-CE2 3.98Å; M78-F88 HydrophobicContact CE-CZ 4.09Å; M78-F88 HydrophobicContact CG-CD1 3.52Å; M78-F88 HydrophobicContact CG-CE1 3.32Å; M78-F88 HydrophobicContact CG-CE2 4.39Å; M78-F88 HydrophobicContact CG-CG 4.15Å; M78-F88 HydrophobicContact CG-CZ 3.79Å; M78-F88 HydrophobicContact SD-CE1 4.06Å; M78-F88 HydrophobicContact SD-CE2 4.41Å; M78-F88 HydrophobicContact SD-CZ 3.91Å; M78-F694 HydrophobicContact SD-CD1 3.98Å; M78-F694 HydrophobicContact SD-CE1 3.85Å
79	K	91.2	Very high	89.8	Confident	22 Å²	22	50.7 Å²	50.7	10%	0.096	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.1	176.8	-176.6	177.1	172.2	-163	0	110.2	K63 A86 F87 V89 T105 S106 I108	K63-K79 CarbonylContact O-C 3.52Å; K63-K79 VanDerWaalsContact O-CA 3.29Å; K63-K79 WeakPolarHBondContact O-CA 3.41Å; K79-A86 WeakPolarHBondContact O-CA 3.43Å; K79-F87 HydrophobicContact CB-CD2 4.26Å; K79-F87 HydrophobicContact CB-CE2 3.84Å; K79-F87 HydrophobicContact CB-CZ 4.25Å; K79-F87 HydrophobicContact CD-CE2 3.85Å; K79-F87 HydrophobicContact CD-CZ 4.08Å; K79-F87 HydrophobicContact CG-CE2 4.05Å; K79-F87 HydrophobicContact CG-CZ 4.09Å; K79-F87 PolarHBondContact N-O 2.93Å; K79-F87 PolarHBondContact O-N 2.85Å; K79-V89 HydrophobicContact CB-CG2 3.97Å; K79-V89 HydrophobicContact CD-CG2 3.77Å; K79-T105 PolarHBondContact NZ-OG1 3.02Å; K79-S106 PolarHBondContact NZ-O 3.11Å; K79-S106 PolarHBondContact NZ-OG 3.37Å; K79-I108 HydrophobicContact CB-CG1 4.42Å
80	L	89	Confident	89.2	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.6	177.4	-162.1	81.8	0	0	0	111.5	F52 L55 L58 K63 I65 I696	F52-L80 HydrophobicContact CB-CD1 4.13Å; F52-L80 HydrophobicContact CD2-CD1 3.71Å; F52-L80 HydrophobicContact CG-CD1 4.32Å; L55-L80 HydrophobicContact CD1-CD2 3.82Å; L58-L80 HydrophobicContact CD1-CD2 3.55Å; K63-L80 HydrophobicContact CB-CB 4.27Å; K63-L80 HydrophobicContact CG-CB 4.41Å; K63-L80 PolarHBondContact O-N 3.13Å; I65-L80 HydrophobicContact CD1-CB 4Å; I65-L80 HydrophobicContact CD1-CD1 3.88Å; I65-L80 HydrophobicContact CG1-CB 4.44Å; L80-I696 HydrophobicContact CB-CD1 4.02Å; L80-I696 HydrophobicContact CD1-CD1 4.25Å; L80-I696 HydrophobicContact CD2-CD1 3.79Å; L80-I696 HydrophobicContact CG-CD1 4.23Å
81	G	84.3	Confident	88.5	Confident	7 Å²	7	55.7 Å²	55.7	7%	0.072	30%	0.301	C	S	.	.			trans	-79.5	167.4	168.3	0	0	0	0	0	113.5	N83 G84 E85	G81-N83 PolarHBondContact O-N 2.87Å; G81-G84 PolarHBondContact O-N 3.1Å; G81-G84 VanDerWaalsContact O-N 3.15Å; G81-E85 WeakPolarHBondContact CA-OE2 3.44Å; G81-E85 PolarHBondContact N-O 2.72Å
82	D	77.6	Confident	87.4	Confident	139 Å²	139	53.4 Å²	53.4	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.6	-174.4	-63.7	-65.6	0	0	0	114.1	K63	K63-D82 IonicContact NZ-OD1 2.73Å; K63-D82 PolarHBondContact NZ-OD1 2.85Å; K63-D82 IonicContact NZ-OD2 2.69Å
83	N	75.3	Confident	86	Confident	109 Å²	109	55.2 Å²	55.2	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	3.9	174.1	-41.5	-83.6	0	0	0	112.3	R51 G81 E85	R51-N83 PolarHBondContact NH1-O 2.96Å; R51-N83 VanDerWaalsContact NH1-O 3.08Å; R51-N83 PolarHBondContact NH2-O 2.83Å; G81-N83 PolarHBondContact O-N 2.87Å; N83-E85 VanDerWaalsContact C-OE2 3.28Å; N83-E85 WeakPolarHBondContact CA-OE2 3.37Å; N83-E85 WeakPolarHBondContact CB-OE2 3.45Å; N83-E85 PolarHBondContact N-OE2 2.84Å; N83-E85 PolarHBondContact ND2-OE1 2.9Å; N83-E85 PolarHBondContact ND2-OE2 3.24Å
84	G	82.1	Confident	84.2	Confident	7 Å²	7	59 Å²	59	7%	0.072	29%	0.286	C	S	.	.	S	Bend	trans	84.9	5.7	-174.9	0	0	0	0	0	114.6	R51 F52 G81	R51-G84 WeakPolarHBondContact CA-O 3.33Å; R51-G84 WeakPolarHBondContact CG-O 3.31Å; F52-G84 PolarHBondContact N-O 2.71Å; G81-G84 PolarHBondContact O-N 3.1Å; G81-G84 VanDerWaalsContact O-N 3.15Å
85	E	86.8	Confident	82.3	Confident	50 Å²	50	63.4 Å²	63.4	23%	0.234	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-76.7	138.4	174.3	76.4	-76.8	-150.3	0	0	111.6	G81 N83 F87	G81-E85 WeakPolarHBondContact CA-OE2 3.44Å; G81-E85 PolarHBondContact N-O 2.72Å; N83-E85 VanDerWaalsContact C-OE2 3.28Å; N83-E85 WeakPolarHBondContact CA-OE2 3.37Å; N83-E85 WeakPolarHBondContact CB-OE2 3.45Å; N83-E85 PolarHBondContact N-OE2 2.84Å; N83-E85 PolarHBondContact ND2-OE1 2.9Å; N83-E85 PolarHBondContact ND2-OE2 3.24Å; E85-F87 HydrophobicContact CG-CD1 4.41Å
86	A	91.3	Very high	80.5	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.017	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	149.2	170	0	0	0	0	0	111.1	V50 I65 M78 K79 L673	V50-A86 HydrophobicContact CB-CB 3.86Å; V50-A86 HydrophobicContact CG1-CB 4.26Å; V50-A86 WeakPolarHBondContact O-CB 3.4Å; V50-A86 PolarHBondContact O-N 3.42Å; I65-A86 HydrophobicContact CD1-CB 3.46Å; I65-A86 VanDerWaalsContact CD1-CB 3.46Å; M78-A86 HydrophobicContact CB-CB 4.27Å; M78-A86 HydrophobicContact CE-CB 3.74Å; M78-A86 HydrophobicContact SD-CB 4.06Å; K79-A86 WeakPolarHBondContact O-CA 3.43Å; A86-L673 WeakPolarHBondContact O-CD2 3.47Å
87	F	92.9	Very high	79.1	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153	169.6	52.8	-96.9	0	0	0	111.5	M78 K79 E85 V89 T105 K671 L673	M78-F87 WeakPolarHBondContact CA-O 3.24Å; K79-F87 HydrophobicContact CB-CD2 4.26Å; K79-F87 HydrophobicContact CB-CE2 3.84Å; K79-F87 HydrophobicContact CB-CZ 4.25Å; K79-F87 HydrophobicContact CD-CE2 3.85Å; K79-F87 HydrophobicContact CD-CZ 4.08Å; K79-F87 HydrophobicContact CG-CE2 4.05Å; K79-F87 HydrophobicContact CG-CZ 4.09Å; K79-F87 PolarHBondContact N-O 2.93Å; K79-F87 PolarHBondContact O-N 2.85Å; E85-F87 HydrophobicContact CG-CD1 4.41Å; F87-V89 HydrophobicContact CD2-CG2 4.2Å; F87-V89 HydrophobicContact CE2-CG2 3.97Å; F87-T105 HydrophobicContact CE2-CG2 4.13Å; F87-T105 WeakPolarHBondContact CE2-OG1 3.36Å; F87-K671 HydrophobicContact CB-CB 4.18Å; F87-K671 HydrophobicContact CD1-CD 4.01Å; F87-K671 HydrophobicContact CD1-CG 4.12Å; F87-K671 HydrophobicContact CD2-CB 3.96Å; F87-K671 HydrophobicContact CD2-CD 4.42Å; F87-K671 HydrophobicContact CD2-CG 3.64Å; F87-K671 HydrophobicContact CE1-CD 4.03Å; F87-K671 HydrophobicContact CE1-CG 4.21Å; F87-K671 HydrophobicContact CE2-CD 4.44Å; F87-K671 HydrophobicContact CE2-CG 3.75Å; F87-K671 HydrophobicContact CG-CB 4Å; F87-K671 HydrophobicContact CG-CD 4.21Å; F87-K671 HydrophobicContact CG-CG 3.84Å; F87-K671 HydrophobicContact CZ-CD 4.26Å; F87-K671 HydrophobicContact CZ-CG 4.04Å; F87-L673 HydrophobicContact CB-CD2 4.04Å
88	F	93.4	Very high	78	Confident	11 Å²	11	67.6 Å²	67.6	5%	0.048	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	151	165	-58.4	-72	0	0	0	110.1	F48 I67 M78 S672 L675	F48-F88 HydrophobicContact CB-CE2 3.77Å; F48-F88 HydrophobicContact CB-CZ 4.32Å; F48-F88 HydrophobicContact CD1-CE2 4.12Å; F48-F88 AromaticContact CD1-CZ 3.92Å; F48-F88 HydrophobicContact CD1-CZ 3.92Å; F48-F88 AromaticContact CD2-CE2 3.8Å; F48-F88 HydrophobicContact CD2-CE2 3.8Å; F48-F88 HydrophobicContact CD2-CZ 4.31Å; F48-F88 HydrophobicContact CE1-CZ 4.29Å; F48-F88 HydrophobicContact CE2-CE2 4.4Å; F48-F88 AromaticContact CG-CE2 3.64Å; F48-F88 HydrophobicContact CG-CE2 3.64Å; F48-F88 AromaticContact CG-CZ 3.94Å; F48-F88 HydrophobicContact CG-CZ 3.94Å; I67-F88 HydrophobicContact CD1-CE1 3.87Å; I67-F88 HydrophobicContact CD1-CZ 4.33Å; M78-F88 HydrophobicContact CE-CD2 4.3Å; M78-F88 HydrophobicContact CE-CE2 3.98Å; M78-F88 HydrophobicContact CE-CZ 4.09Å; M78-F88 HydrophobicContact CG-CD1 3.52Å; M78-F88 HydrophobicContact CG-CE1 3.32Å; M78-F88 HydrophobicContact CG-CE2 4.39Å; M78-F88 HydrophobicContact CG-CG 4.15Å; M78-F88 HydrophobicContact CG-CZ 3.79Å; M78-F88 HydrophobicContact SD-CE1 4.06Å; M78-F88 HydrophobicContact SD-CE2 4.41Å; M78-F88 HydrophobicContact SD-CZ 3.91Å; F88-S672 PolarHBondContact N-O 2.91Å; F88-S672 PolarHBondContact O-N 2.71Å; F88-L675 HydrophobicContact CD1-CD2 3.81Å; F88-L675 HydrophobicContact CD2-CD2 3.86Å; F88-L675 HydrophobicContact CD2-CG 4.33Å; F88-L675 HydrophobicContact CE1-CD2 3.67Å; F88-L675 HydrophobicContact CE1-CG 4.41Å; F88-L675 HydrophobicContact CE2-CD2 3.71Å; F88-L675 HydrophobicContact CE2-CG 3.83Å; F88-L675 HydrophobicContact CG-CD2 3.91Å; F88-L675 HydrophobicContact CZ-CD1 4.16Å; F88-L675 HydrophobicContact CZ-CD2 3.62Å; F88-L675 HydrophobicContact CZ-CG 3.88Å
89	V	89.7	Confident	76.9	Confident	31 Å²	31	68.7 Å²	68.7	19%	0.188	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.1	174.5	-178	0	0	0	0	108.5	K79 F87 T105 I108 Y669	K79-V89 HydrophobicContact CB-CG2 3.97Å; K79-V89 HydrophobicContact CD-CG2 3.77Å; F87-V89 HydrophobicContact CD2-CG2 4.2Å; F87-V89 HydrophobicContact CE2-CG2 3.97Å; V89-T105 HydrophobicContact CG1-CG2 3.87Å; V89-T105 HydrophobicContact CG2-CG2 4.12Å; V89-I108 HydrophobicContact CB-CD1 4.34Å; V89-I108 HydrophobicContact CB-CG1 4.01Å; V89-I108 HydrophobicContact CG2-CD1 4.18Å; V89-I108 HydrophobicContact CG2-CG1 3.67Å; V89-Y669 HydrophobicContact CG1-CD1 3.77Å; V89-Y669 HydrophobicContact CG1-CG 4.11Å
90	Q	84	Confident	76	Confident	68 Å²	68	70.7 Å²	70.7	32%	0.318	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.6	173.7	-166.2	-178.5	18.2	0	0	109.4	Y669 R670	Q90-Y669 CarbonylContact O-C 3.49Å; Q90-Y669 WeakPolarHBondContact O-CA 3.23Å; Q90-R670 HydrophobicContact CB-CG 4.1Å; Q90-R670 PolarHBondContact N-O 2.86Å; Q90-R670 PolarHBondContact O-N 3.23Å; Q90-R670 VanDerWaalsContact OE1-CZ 3.31Å
91	E	80.2	Confident	74.7	Confident	82 Å²	82	74.7 Å²	74.7	38%	0.383	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	140.3	169.4	-163.9	175.3	124.9	0	0	110.2	H667 Y669	E91-H667 HydrophobicContact CG-CB 4.15Å; E91-H667 IonicContact OE1-CE1 3.44Å; E91-H667 PolarHBondContact OE1-CE1 2.8Å; E91-H667 IonicContact OE1-CG 3.82Å; E91-H667 IonicContact OE1-ND1 2.69Å; E91-H667 PolarHBondContact OE1-ND1 2.84Å; E91-H667 IonicContact OE2-ND1 3.18Å; E91-Y669 HydrophobicContact CB-CD1 4Å; E91-Y669 HydrophobicContact CB-CE1 3.9Å; E91-Y669 HydrophobicContact CG-CD1 4.17Å; E91-Y669 HydrophobicContact CG-CE1 3.83Å
92	A	71.8	Confident	73.8	Confident	10 Å²	10	80.7 Å²	80.7	8%	0.083	43%	0.426	C	S	.	.			trans	-89.6	108.6	177.6	0	0	0	0	0	110.5	R94 I99 S668	A92-R94 PolarHBondContact O-N 2.95Å; A92-I99 HydrophobicContact CB-CD1 3.78Å; A92-S668 WeakPolarHBondContact CB-O 3.39Å; A92-S668 PolarHBondContact N-O 2.84Å
93	E	64.9	Low	73.7	Confident	175 Å²	175	77.1 Å²	77.1	82%	0.818	41%	0.406	S	S	*	.	S	Bend	trans	-66.9	-1.6	-175.2	-61.8	170.5	-173.4	0	0	114.5
94	R	56.1	Low	73.8	Confident	184 Å²	184	75.3 Å²	75.3	69%	0.694	40%	0.399	S	S	*	.			trans	-133.2	119.5	-175.9	-67.3	-178.7	180	173.1	1.2	111.7	A92 N96 E97	A92-R94 PolarHBondContact O-N 2.95Å; R94-N96 PolarHBondContact O-N 3.32Å; R94-E97 HydrophobicContact CB-CB 4.35Å; R94-E97 PolarHBondContact O-N 2.88Å
95	S	53.9	Low	73.7	Confident	120 Å²	120	76.1 Å²	76.1	84%	0.839	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-14.7	175.3	56.9	0	0	0	0	115.1
96	N	50.7	Low	73.3	Confident	140 Å²	140	76.9 Å²	76.9	75%	0.749	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	6.8	-174.2	-61.9	22.8	0	0	0	112.7	R94 I98	R94-N96 PolarHBondContact O-N 3.32Å; N96-I98 PolarHBondContact O-N 2.81Å
97	E	61.3	Low	72.9	Confident	82 Å²	82	79.6 Å²	79.6	38%	0.383	43%	0.431	S	S	.	.			trans	-80.6	114.2	175.7	-164.6	-179.5	144.3	0	0	110.4	R94 I99 R670	R94-E97 HydrophobicContact CB-CB 4.35Å; R94-E97 PolarHBondContact O-N 2.88Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.94Å; E97-R670 IonicContact OE1-CZ 2.69Å; E97-R670 IonicContact OE1-NH1 3.59Å; E97-R670 PolarHBondContact OE1-NH1 3.03Å; E97-R670 IonicContact OE2-NH1 3.67Å; E97-R670 PolarHBondContact OE2-NH1 3.47Å
98	I	69	Low	72.1	Confident	163 Å²	163	81 Å²	81	84%	0.836	44%	0.438	S	S	*	.			trans	-77.7	84.9	-179.8	-54.3	177.6	0	0	0	109.3	N96 P100	N96-I98 PolarHBondContact O-N 2.81Å; I98-P100 WeakPolarHBondContact O-CD 3.38Å
99	I	68.6	Low	70.8	Confident	24 Å²	24	82.6 Å²	82.6	12%	0.123	45%	0.45	C	S	.	.			trans	-66.6	122.4	178.3	-55.2	167	0	0	0	109.7	A92 E97 A101 L103 V104 R670	A92-I99 HydrophobicContact CB-CD1 3.78Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 2.94Å; I99-A101 PolarHBondContact O-N 2.74Å; I99-L103 HydrophobicContact CG2-CB 3.96Å; I99-V104 HydrophobicContact CB-CG2 4.1Å; I99-V104 HydrophobicContact CG2-CG2 3.71Å; I99-R670 HydrophobicContact CD1-CB 4.35Å; I99-R670 HydrophobicContact CG2-CB 4.07Å
100	P	74.1	Confident	69.4	Low	63 Å²	63	84.6 Å²	84.6	41%	0.409	46%	0.462	S	S	.	.			trans	-57.1	135.7	174.3	-26.2	35.2	0	0	0	112	I98 H102 L103 V104	I98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-H102 PolarHBondContact O-N 2.91Å; P100-L103 HydrophobicContact CG-CD1 4.42Å; P100-L103 PolarHBondContact O-N 2.88Å; P100-V104 PolarHBondContact O-N 3.39Å
101	A	59.8	Low	68	Low	93 Å²	93	88.7 Å²	88.7	77%	0.769	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.3	-170.9	0	0	0	0	0	115.1	I99	I99-A101 PolarHBondContact O-N 2.74Å
102	H	66.1	Low	66.6	Low	133 Å²	133	90.9 Å²	90.9	62%	0.616	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.8	176.7	63.8	-95	0	0	0	113.8	P100 K671	P100-H102 PolarHBondContact O-N 2.91Å; H102-K671 WeakPolarHBondContact O-CE 3.37Å; H102-K671 PolarHBondContact O-NZ 2.95Å
103	L	74.8	Confident	65.7	Low	63 Å²	63	94.3 Å²	94.3	33%	0.33	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.1	175.5	-61.8	-176.9	0	0	0	113.3	I99 P100 R670 K671	I99-L103 HydrophobicContact CG2-CB 3.96Å; P100-L103 HydrophobicContact CG-CD1 4.42Å; P100-L103 PolarHBondContact O-N 2.88Å; L103-R670 CarbonylContact O-C 3.54Å; L103-R670 VanDerWaalsContact O-CA 3.31Å; L103-R670 WeakPolarHBondContact O-CA 3.45Å; L103-K671 WeakPolarHBondContact O-CG 3.49Å; L103-K671 PolarHBondContact O-N 3.39Å
104	V	77.9	Confident	64.8	Low	72 Å²	72	89 Å²	89	44%	0.436	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141	177.6	-179	0	0	0	0	110.6	I99 P100	I99-V104 HydrophobicContact CB-CG2 4.1Å; I99-V104 HydrophobicContact CG2-CG2 3.71Å; P100-V104 PolarHBondContact O-N 3.39Å
105	T	80.3	Confident	64.6	Low	24 Å²	24	84.2 Å²	84.2	15%	0.147	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	170.4	175.7	-164.7	0	0	0	0	111.1	K79 F87 V89 Y669 K671	K79-T105 PolarHBondContact NZ-OG1 3.02Å; F87-T105 HydrophobicContact CE2-CG2 4.13Å; F87-T105 WeakPolarHBondContact CE2-OG1 3.36Å; V89-T105 HydrophobicContact CG1-CG2 3.87Å; V89-T105 HydrophobicContact CG2-CG2 4.12Å; T105-Y669 PolarHBondContact N-O 3.24Å; T105-K671 HydrophobicContact CG2-CG 4.19Å
106	S	79.5	Confident	64.2	Low	66 Å²	66	86.8 Å²	86.8	46%	0.462	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-89	161.5	167.7	81.2	0	0	0	0	110.9	K79	K79-S106 PolarHBondContact NZ-O 3.11Å; K79-S106 PolarHBondContact NZ-OG 3.37Å
107	P	81.1	Confident	63.9	Low	59 Å²	59	82.5 Å²	82.5	38%	0.383	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-56.9	162.2	169.4	23.6	-33.3	0	0	0	112.5	Y669	P107-Y669 HydrophobicContact CB-CD1 4.43Å; P107-Y669 HydrophobicContact CB-CD2 4.42Å; P107-Y669 HydrophobicContact CB-CE1 4.03Å; P107-Y669 HydrophobicContact CB-CE2 4.05Å; P107-Y669 HydrophobicContact CG-CD2 4.41Å; P107-Y669 HydrophobicContact CG-CE2 3.98Å
108	I	77.2	Confident	63.1	Low	37 Å²	37	87.9 Å²	87.9	19%	0.19	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-69.6	136.7	167.5	-57.8	-176.1	0	0	0	108	V64 H77 K79 V89 T110	V64-I108 HydrophobicContact CG1-CG2 4.27Å; V64-I108 HydrophobicContact CG2-CG2 3.97Å; H77-I108 HydrophobicContact CB-CD1 4.12Å; H77-I108 WeakPolarHBondContact O-CD1 3.36Å; K79-I108 HydrophobicContact CB-CG1 4.42Å; V89-I108 HydrophobicContact CB-CD1 4.34Å; V89-I108 HydrophobicContact CB-CG1 4.01Å; V89-I108 HydrophobicContact CG2-CD1 4.18Å; V89-I108 HydrophobicContact CG2-CG1 3.67Å; I108-T110 VanDerWaalsContact C-N 3.34Å; I108-T110 PolarHBondContact O-N 2.83Å
109	P	65.2	Low	61.8	Low	46 Å²	46	85.5 Å²	85.5	30%	0.299	45%	0.45	S	S	.	.			trans	-72.1	80.3	-179.3	-18.9	34.1	0	0	0	113.3
110	T	61.8	Low	60.6	Low	72 Å²	72	88 Å²	88	44%	0.442	48%	0.475	S	S	.	.			trans	-66.7	151.2	172.1	57.2	0	0	0	0	111.6	I108 E112 V113	I108-T110 VanDerWaalsContact C-N 3.34Å; I108-T110 PolarHBondContact O-N 2.83Å; T110-E112 VanDerWaalsContact C-N 3.3Å; T110-E112 PolarHBondContact O-N 3.46Å; T110-V113 PolarHBondContact O-N 3Å; T110-V113 WeakPolarHBondContact OG1-CG2 3.39Å
111	E	54.2	Low	59	Low	154 Å²	154	94.8 Å²	94.8	72%	0.72	49%	0.492	S	S	*	.	H	α-helix	trans	-65	-33.9	-176.3	-172.6	156.1	-145.2	0	0	112.4	V113 L114 I115	E111-V113 PolarHBondContact O-N 3.3Å; E111-L114 WeakPolarHBondContact O-CA 3.48Å; E111-L114 WeakPolarHBondContact O-CB 3.48Å; E111-L114 PolarHBondContact O-N 2.82Å; E111-L114 VanDerWaalsContact O-N 3.07Å; E111-I115 HydrophobicContact CG-CD1 4.19Å; E111-I115 WeakPolarHBondContact O-CG1 3.43Å; E111-I115 PolarHBondContact O-N 3.18Å
112	E	51.2	Low	58	Low	129 Å²	129	95.9 Å²	95.9	60%	0.603	49%	0.493	S	S	*	.	H	α-helix	trans	-57.8	-42.4	176.4	-57	-169.2	166.9	0	0	113.6	T110 L114 I115 R116	T110-E112 VanDerWaalsContact C-N 3.3Å; T110-E112 PolarHBondContact O-N 3.46Å; E112-L114 PolarHBondContact O-N 3.02Å; E112-I115 PolarHBondContact O-N 3.09Å; E112-R116 PolarHBondContact O-N 2.71Å
113	V	51.7	Low	56.6	Low	82 Å²	82	93.7 Å²	93.7	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-31.5	179.3	175.3	0	0	0	0	110.4	T110 E111 S117	T110-V113 PolarHBondContact O-N 3Å; T110-V113 WeakPolarHBondContact OG1-CG2 3.39Å; E111-V113 PolarHBondContact O-N 3.3Å; V113-S117 WeakPolarHBondContact O-CB 3.29Å; V113-S117 PolarHBondContact O-N 3.22Å; V113-S117 PolarHBondContact O-OG 2.88Å
114	L	46.9	Very low	54.6	Low	62 Å²	62	94 Å²	94	33%	0.325	52%	0.517	S	S	.	.	H	α-helix	trans	-75.6	-32.3	175.3	-75.4	155.2	0	0	0	112.7	E111 E112 S117 R118	E111-L114 WeakPolarHBondContact O-CA 3.48Å; E111-L114 WeakPolarHBondContact O-CB 3.48Å; E111-L114 PolarHBondContact O-N 2.82Å; E111-L114 VanDerWaalsContact O-N 3.07Å; E112-L114 PolarHBondContact O-N 3.02Å; L114-S117 PolarHBondContact O-N 2.8Å; L114-R118 PolarHBondContact O-N 3.37Å; L114-R118 VanDerWaalsContact O-N 3.14Å
115	I	51.6	Low	52.5	Low	85 Å²	85	96.4 Å²	96.4	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-53.1	171.7	-67.8	166.2	0	0	0	109.9	E111 E112 S117 R118 E119	E111-I115 HydrophobicContact CG-CD1 4.19Å; E111-I115 WeakPolarHBondContact O-CG1 3.43Å; E111-I115 PolarHBondContact O-N 3.18Å; E112-I115 PolarHBondContact O-N 3.09Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 2.92Å; I115-R118 WeakPolarHBondContact O-CA 3.39Å; I115-R118 VanDerWaalsContact O-CB 3.3Å; I115-R118 WeakPolarHBondContact O-CB 3.42Å; I115-R118 PolarHBondContact O-N 3.28Å; I115-E119 WeakPolarHBondContact CG2-OE1 3.34Å; I115-E119 WeakPolarHBondContact O-CG 3.5Å; I115-E119 PolarHBondContact O-N 2.7Å
116	R	45.4	Very low	50.1	Low	173 Å²	173	100.4 Å²	100.4	65%	0.653	57%	0.572	S	S	*	*	H	α-helix	trans	-56.6	-39.6	173.9	-64.2	-172.4	-162.1	173.8	9.8	112.1	E112 R118 E119 A120	E112-R116 PolarHBondContact O-N 2.71Å; R116-R118 PolarHBondContact O-N 3.2Å; R116-E119 WeakPolarHBondContact CA-OE2 3.31Å; R116-E119 PolarHBondContact O-N 3.07Å; R116-A120 VanDerWaalsContact O-CB 3.25Å; R116-A120 WeakPolarHBondContact O-CB 3.36Å; R116-A120 PolarHBondContact O-N 3.07Å
117	S	45.1	Very low	47.9	Very low	51 Å²	51	106.3 Å²	106.3	36%	0.357	59%	0.592	S	S	.	*	H	α-helix	trans	-70.1	-7.7	175.8	-61.8	0	0	0	0	114.6	V113 L114 I115 R121	V113-S117 WeakPolarHBondContact O-CB 3.29Å; V113-S117 PolarHBondContact O-N 3.22Å; V113-S117 PolarHBondContact O-OG 2.88Å; L114-S117 PolarHBondContact O-N 2.8Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 2.92Å; S117-R121 VanDerWaalsContact O-CZ 3.27Å; S117-R121 PolarHBondContact O-NE 2.94Å; S117-R121 PolarHBondContact O-NH2 3.16Å
118	R	44.2	Very low	45.6	Very low	195 Å²	195	108.5 Å²	108.5	74%	0.736	61%	0.609	S	S	*	*	H	α-helix	trans	-97.2	-42.8	172	-172	177.5	-179.7	175.5	-1.8	110.3	L114 I115 R116 R121	L114-R118 PolarHBondContact O-N 3.37Å; L114-R118 VanDerWaalsContact O-N 3.14Å; I115-R118 WeakPolarHBondContact O-CA 3.39Å; I115-R118 VanDerWaalsContact O-CB 3.3Å; I115-R118 WeakPolarHBondContact O-CB 3.42Å; I115-R118 PolarHBondContact O-N 3.28Å; R116-R118 PolarHBondContact O-N 3.2Å; R118-R121 PolarHBondContact O-N 3.01Å
119	E	41.8	Very low	43.4	Very low	112 Å²	112	112.2 Å²	112.2	52%	0.523	64%	0.637	S	S	.	*	H	α-helix	trans	-65.3	-42.9	177.5	-66.8	161.4	158.9	0	0	112.1	I115 R116 R121 C122 A123	I115-E119 WeakPolarHBondContact CG2-OE1 3.34Å; I115-E119 WeakPolarHBondContact O-CG 3.5Å; I115-E119 PolarHBondContact O-N 2.7Å; R116-E119 WeakPolarHBondContact CA-OE2 3.31Å; R116-E119 PolarHBondContact O-N 3.07Å; E119-R121 PolarHBondContact O-N 2.78Å; E119-C122 PolarHBondContact O-N 3.02Å; E119-A123 PolarHBondContact O-N 2.84Å
120	A	42	Very low	41.9	Very low	78 Å²	78	118.5 Å²	118.5	65%	0.645	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-3.9	174.4	0	0	0	0	0	114.5	R116	R116-A120 VanDerWaalsContact O-CB 3.25Å; R116-A120 WeakPolarHBondContact O-CB 3.36Å; R116-A120 PolarHBondContact O-N 3.07Å
121	R	40.2	Very low	40.5	Very low	205 Å²	205	120.6 Å²	120.6	77%	0.774	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	3.3	170.1	-79.6	-178.9	-77	-175.5	-5.3	113.8	S117 R118 E119	S117-R121 VanDerWaalsContact O-CZ 3.27Å; S117-R121 PolarHBondContact O-NE 2.94Å; S117-R121 PolarHBondContact O-NH2 3.16Å; R118-R121 PolarHBondContact O-N 3.01Å; E119-R121 PolarHBondContact O-N 2.78Å
122	C	38.9	Very low	39.8	Very low	115 Å²	115	118.9 Å²	118.9	78%	0.777	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	-26.5	173.3	-65.7	0	0	0	0	113	E119 G124	E119-C122 PolarHBondContact O-N 3.02Å; C122-G124 PolarHBondContact O-N 2.76Å; C122-G124 VanDerWaalsContact O-N 3.11Å
123	A	37.9	Very low	38.7	Very low	88 Å²	88	119.4 Å²	119.4	73%	0.727	70%	0.696	S	S	*	*			trans	-79.8	84.2	172.8	0	0	0	0	0	111.1	E119	E119-A123 PolarHBondContact O-N 2.84Å
124	G	31.4	Very low	37.6	Very low	70 Å²	70	121.7 Å²	121.7	72%	0.722	71%	0.71	S	S	*	*			trans	-146.7	-0.1	-169.3	0	0	0	0	0	118.9	C122	C122-G124 PolarHBondContact O-N 2.76Å; C122-G124 VanDerWaalsContact O-N 3.11Å
125	S	34.7	Very low	37.5	Very low	121 Å²	121	124 Å²	124	85%	0.846	73%	0.728	S	S	*	*	S	Bend	trans	-172.8	87	170.3	57.2	0	0	0	0	113.8
126	A	29	Very low	36.3	Very low	109 Å²	109	127.7 Å²	127.7	90%	0.901	74%	0.744	S	S	*	*			trans	-170.8	108.4	155.2	0	0	0	0	0	109.9
127	E	34.7	Very low	35.3	Very low	190 Å²	190	125.1 Å²	125.1	89%	0.888	75%	0.747	S	S	*	*			trans	-135.7	154.6	168.1	-173.6	169.2	-133.7	0	0	109.5
128	S	33.4	Very low	34.5	Very low	105 Å²	105	129.2 Å²	129.2	73%	0.734	77%	0.765	S	S	*	*			trans	88.4	143	175.3	80	0	0	0	0	119.1
129	C	29.2	Very low	33.7	Very low	115 Å²	115	125 Å²	125	78%	0.777	77%	0.766	S	S	*	*			trans	72.2	103.6	158.8	-62	0	0	0	0	120.1
130	L	34	Very low	33.1	Very low	178 Å²	178	124.5 Å²	124.5	93%	0.932	78%	0.781	S	S	*	*			trans	-67.2	139.4	151.3	-69.1	162.5	0	0	0	111.1
131	P	32.9	Very low	32.5	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	79%	0.787	S	S	*	*			trans	-117.8	166.1	148.4	0.5	22.2	0	0	0	112.3
132	P	39.5	Very low	32.5	Very low	118 Å²	118	123.5 Å²	123.5	77%	0.766	79%	0.786	S	S	*	*			trans	-91.5	170.1	-170.6	36.9	-37.3	0	0	0	115.4
133	V	27.6	Very low	31.9	Very low	140 Å²	140	125.9 Å²	125.9	85%	0.848	79%	0.786	S	S	*	*			trans	-1.6	123.1	156.8	-173.1	0	0	0	0	117.6
134	V	30	Very low	31.4	Very low	130 Å²	130	129.4 Å²	129.4	79%	0.788	79%	0.792	S	S	*	*			trans	-102	155.4	157.9	-115.1	0	0	0	0	108.8
135	P	44.2	Very low	31.2	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	80%	0.796	S	S	*	*				-125.3	-177.6	52.6	35.5	-15.4	0	0	0	112.5
136	E	25.1	Very low	31.2	Very low	164 Å²	164	132.2 Å²	132.2	77%	0.766	80%	0.796	S	S	*	*			cis	-149.3	171.6	35	-57.5	-162.4	115.4	0	0	116.4
137	T	26.4	Very low	31.1	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	79%	0.789	S	S	*	*			trans	72.8	131.4	148.8	42	0	0	0	0	123.1
138	D	26.7	Very low	30.8	Very low	137 Å²	137	128.8 Å²	128.8	73%	0.733	79%	0.786	S	S	*	*			trans	76.4	97.1	141.8	-80.3	-46.4	0	0	0	123.9
139	S	28.7	Very low	30.7	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	79%	0.79	S	S	*	*				76.8	152.1	106.9	-67	0	0	0	0	122.3
140	A	28.3	Very low	30.7	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	79%	0.787	S	S	*	*			trans	81.2	104.6	168.6	0	0	0	0	0	119.5
141	N	29.2	Very low	30.8	Very low	147 Å²	147	131 Å²	131	79%	0.786	79%	0.79	S	S	*	*			trans	-79.5	143.9	152.6	-171.9	11.3	0	0	0	108.4
142	P	41	Very low	31	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	80%	0.797	S	S	*	*				-147.4	170.1	102.1	38.5	-22.6	0	0	0	115.7
143	Q	27.1	Very low	30.8	Very low	166 Å²	166	139.9 Å²	139.9	78%	0.776	80%	0.804	S	S	*	*			trans	-64.4	154.8	169	-58.8	179.3	-12.6	0	0	113
144	L	26.6	Very low	31.1	Very low	162 Å²	162	144.4 Å²	144.4	85%	0.848	81%	0.806	S	S	*	*				-179.2	150.2	112.8	-98.4	159.2	0	0	0	113.5
145	C	27	Very low	31.4	Very low	121 Å²	121	146.9 Å²	146.9	82%	0.818	80%	0.801	S	S	*	*			trans	-100.7	139.2	172.5	-57.9	0	0	0	0	111.5
146	P	34.6	Very low	30.8	Very low	129 Å²	129	153.6 Å²	153.6	84%	0.838	81%	0.812	S	S	*	*			trans	-102.4	175.8	155.3	35.2	-28	0	0	0	111.9
147	S	26.6	Very low	31.2	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	81%	0.811	S	S	*	*			trans	-139.9	167.7	-166.3	67.2	0	0	0	0	114.4
148	S	29.1	Very low	31.6	Very low	118 Å²	118	161.4 Å²	161.4	83%	0.825	82%	0.821	S	S	*	*			trans	68.3	160.3	177	90.1	0	0	0	0	114.4
149	S	30.6	Very low	31.8	Very low	116 Å²	116	164.6 Å²	164.6	81%	0.811	83%	0.829	S	S	*	*			cis	-154.9	159.9	-21.7	49.8	0	0	0	0	106.5
150	G	29	Very low	31.9	Very low	71 Å²	71	168.5 Å²	168.5	73%	0.732	84%	0.835	S	S	*	*			cis	126.2	93.8	12.1	0	0	0	0	0	110.7
151	R	36.3	Very low	31.7	Very low	259 Å²	259	173.7 Å²	173.7	98%	0.977	84%	0.839	S	S	*	*			trans	-136.3	141.2	170.9	-101.7	178.3	177.4	-167.9	-1.4	112.4
152	K	36.7	Very low	31.6	Very low	206 Å²	206	170.9 Å²	170.9	90%	0.896	84%	0.836	S	S	*	*			trans	-124.9	143.9	-168.2	-64	169.5	179.7	166.6	0	111.4
153	K	37.3	Very low	31	Very low	213 Å²	213	171.8 Å²	171.8	93%	0.926	83%	0.83	S	S	*	*			trans	-153.4	133.4	163.1	-155.4	178.2	-174.3	-177.5	0	110.7
154	R	33.1	Very low	31.3	Very low	234 Å²	234	169.6 Å²	169.6	88%	0.883	83%	0.83	S	S	*	*				-159.3	128.2	-51.5	160.8	173	148.2	-178.2	-7.6	107.4
155	R	35.4	Very low	31.2	Very low	182 Å²	182	171.2 Å²	171.2	69%	0.687	83%	0.825	S	S	*	*			trans	-57.5	154.2	-176.6	-97	159.3	41.5	-172.1	-11	114.8
156	R	32.2	Very low	31.2	Very low	251 Å²	251	173.3 Å²	173.3	95%	0.947	82%	0.82	S	S	*	*			trans	-108.4	147.2	139.2	-80	-175.9	169.1	-179.9	-2.6	109.5
157	R	34.3	Very low	30.6	Very low	198 Å²	198	174.6 Å²	174.6	75%	0.747	82%	0.815	S	S	*	*			trans	-142.9	148.2	171.1	-98.4	-165	-177	173.3	-2.4	107.1
158	R	35	Very low	30.4	Very low	248 Å²	248	178 Å²	178	94%	0.936	82%	0.819	S	S	*	*			trans	-123.3	177.4	152.3	-79.4	-172.2	170	-179.2	-3.5	109.3
159	K	30.3	Very low	30.5	Very low	204 Å²	204	177.8 Å²	177.8	89%	0.887	82%	0.815	S	S	*	*				-148.1	136.8	-123.1	-177.8	-175.1	178.8	-171.5	0	112.6
160	H	29.7	Very low	30	Very low	190 Å²	190	177.9 Å²	177.9	88%	0.88	81%	0.811	S	S	*	*			trans	-84.5	145.2	172.9	-69.9	-97.3	0	0	0	113.3
161	K	25.5	Very low	29.6	Very low	210 Å²	210	180.3 Å²	180.3	91%	0.913	82%	0.815	S	S	*	*			trans	178.4	154.7	147.2	-154.8	170.3	-176.9	-173.1	0	108.2
162	A	26.1	Very low	28.9	Very low	88 Å²	88	172.9 Å²	172.9	73%	0.727	81%	0.809	S	S	*	*			cis	-161.7	177.8	-46.2	0	0	0	0	0	108.3
163	E	28.5	Very low	28.3	Very low	134 Å²	134	166.9 Å²	166.9	63%	0.626	81%	0.805	S	S	*	*			trans	-58.7	162.6	-176.2	-143.4	-161.2	-129.8	0	0	115.2	R165	E163-R165 IonicContact OE1-NE 3.43Å; E163-R165 IonicContact OE1-NH2 3.52Å; E163-R165 VanDerWaalsContact OE2-CG 3.23Å; E163-R165 WeakPolarHBondContact OE2-CG 3.47Å; E163-R165 IonicContact OE2-CZ 2.65Å; E163-R165 IonicContact OE2-NE 3.8Å; E163-R165 PolarHBondContact OE2-NE 2.82Å; E163-R165 IonicContact OE2-NH2 2.7Å
164	P	32.9	Very low	27.7	Very low	119 Å²	119	160.2 Å²	160.2	77%	0.773	80%	0.798	S	S	*	*				-141.5	173.3	91.9	41.2	-28	0	0	0	116.5
165	R	25	Very low	27.4	Very low	196 Å²	196	157.7 Å²	157.7	74%	0.74	80%	0.796	S	S	*	*			trans	-82.1	177.4	176.9	-42.3	-177.8	174.7	121.2	3.4	111.6	E163	E163-R165 IonicContact OE1-NE 3.43Å; E163-R165 IonicContact OE1-NH2 3.52Å; E163-R165 VanDerWaalsContact OE2-CG 3.23Å; E163-R165 WeakPolarHBondContact OE2-CG 3.47Å; E163-R165 IonicContact OE2-CZ 2.65Å; E163-R165 IonicContact OE2-NE 3.8Å; E163-R165 PolarHBondContact OE2-NE 2.82Å; E163-R165 IonicContact OE2-NH2 2.7Å
166	K	27.7	Very low	26.9	Very low	166 Å²	166	157.3 Å²	157.3	72%	0.722	80%	0.802	S	S	*	*			cis	-162.6	178	12.6	-157.2	179.1	155.5	-123.1	0	109.9
167	E	21.8	Very low	26.5	Very low	155 Å²	155	153.7 Å²	153.7	72%	0.724	80%	0.796	S	S	*	*			trans	92.3	142.1	153.3	-85.2	145.7	-142.1	0	0	121.3
168	E	22.6	Very low	26.1	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	79%	0.794	S	S	*	*			trans	-82.3	161.6	174.2	-96.4	177.9	117.2	0	0	110.5
169	P	30.3	Very low	25.5	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	79%	0.786	S	S	*	*				-155.8	168.7	53.6	43.1	-21.4	0	0	0	120.4
170	T	20.2	Very low	25.2	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	78%	0.78	S	S	*	*			trans	49.6	114.6	135.8	-54.3	0	0	0	0	123.4
171	C	21.4	Very low	24.8	Very low	121 Å²	121	138.5 Å²	138.5	82%	0.818	77%	0.773	S	S	*	*			trans	76	147.6	143.2	-73.2	0	0	0	0	125.4
172	A	21.3	Very low	24.6	Very low	104 Å²	104	134 Å²	134	86%	0.86	77%	0.767	S	S	*	*			trans	83	150.2	146.3	0	0	0	0	0	121.8
173	G	23.5	Very low	24.5	Very low	79 Å²	79	134.3 Å²	134.3	81%	0.814	77%	0.765	S	S	*	*			trans	84.3	139.1	-177.9	0	0	0	0	0	113.8
174	G	24.9	Very low	24.4	Very low	74 Å²	74	134.7 Å²	134.7	76%	0.763	77%	0.771	S	S	*	*			cis	88.9	133.4	12	0	0	0	0	0	111.6
175	E	25.8	Very low	24.1	Very low	180 Å²	180	137.7 Å²	137.7	84%	0.841	77%	0.774	S	S	*	*			cis	-151	139.6	5.3	-91.7	154.8	-177.8	0	0	107.2
176	Q	25.7	Very low	24.2	Very low	174 Å²	174	136.6 Å²	136.6	81%	0.813	78%	0.778	S	S	*	*				89.8	171.9	85.8	-158.1	163.9	-6.1	0	0	113.7
177	E	25	Very low	24.2	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	78%	0.776	S	S	*	*			trans	74.1	139.5	178.8	-63.4	-158.9	146.8	0	0	117.3
178	L	24.5	Very low	24.4	Very low	137 Å²	137	136.2 Å²	136.2	72%	0.717	78%	0.778	S	S	*	*			cis	-158.6	121.8	-15.5	-168	69.7	0	0	0	105.6
179	C	23.8	Very low	24.6	Very low	112 Å²	112	131.1 Å²	131.1	76%	0.757	77%	0.767	S	S	*	*				80.3	163.7	68.2	-146	0	0	0	0	114.7
180	E	22.2	Very low	24.4	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	77%	0.773	S	S	*	*			trans	70.8	155.8	177	-58.6	-159.8	159.5	0	0	116.8
181	C	22.9	Very low	24.6	Very low	107 Å²	107	133.9 Å²	133.9	72%	0.723	78%	0.781	S	S	*	*			cis	-167.7	164.7	-16.5	-106.9	0	0	0	0	107.8
182	S	20.3	Very low	24.7	Very low	114 Å²	114	131 Å²	131	80%	0.797	77%	0.772	S	S	*	*			cis	-159.4	-167.4	-13.6	-164.2	0	0	0	0	108.5
183	S	23.5	Very low	24.9	Very low	96 Å²	96	138.3 Å²	138.3	67%	0.671	78%	0.778	S	S	*	*			trans	-121.7	-174.2	171.1	-141	0	0	0	0	109.6
184	D	28	Very low	24.9	Very low	142 Å²	142	139.3 Å²	139.3	76%	0.759	78%	0.778	S	S	*	*			cis	-159	-150.1	13.8	-145.7	-78.9	0	0	0	111.2
185	E	25.7	Very low	24.9	Very low	181 Å²	181	141 Å²	141	85%	0.846	78%	0.778	S	S	*	*			trans	115.6	141.6	150.1	-58.4	-150.4	117.6	0	0	121
186	E	26.3	Very low	24.9	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	78%	0.775	S	S	*	*			trans	-113.2	173.2	173.9	-57.1	-179.7	104	0	0	111.4
187	Q	28.2	Very low	24.9	Very low	147 Å²	147	136.6 Å²	136.6	69%	0.687	77%	0.774	S	S	*	*				159.2	136.2	116.7	-86.4	-177.2	19.5	0	0	116
188	H	25.8	Very low	25.1	Very low	166 Å²	166	132.6 Å²	132.6	77%	0.769	77%	0.765	S	S	*	*			trans	59	154.7	140.5	-61.4	-30.6	0	0	0	123
189	A	26.5	Very low	25.5	Very low	73 Å²	73	133.8 Å²	133.8	60%	0.603	77%	0.77	S	S	*	*			cis	-171.9	165.1	-24.7	0	0	0	0	0	113.3
190	N	26.8	Very low	25.7	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	77%	0.77	S	S	*	*			trans	85.4	140.8	143	-75.4	-22.2	0	0	0	125.2
191	S	24.4	Very low	26	Very low	129 Å²	129	132.8 Å²	132.8	90%	0.902	77%	0.767	S	S	*	*			trans	79.1	131.8	156.2	-152.1	0	0	0	0	119
192	G	23.8	Very low	26.2	Very low	61 Å²	61	133.4 Å²	133.4	63%	0.629	76%	0.764	S	S	*	*			cis	158.7	155.2	-8.5	0	0	0	0	0	114.5
193	R	24.8	Very low	26.5	Very low	257 Å²	257	133.2 Å²	133.2	97%	0.97	76%	0.762	S	S	*	*			trans	70.3	152	177.9	-56.1	177	173.1	172.5	-2.4	115
194	A	24.5	Very low	27.1	Very low	100 Å²	100	134.6 Å²	134.6	83%	0.826	77%	0.767	S	S	*	*			cis	-145.5	173	-2.4	0	0	0	0	0	112.4
195	S	24.8	Very low	27.3	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	77%	0.769	S	S	*	*			trans	-71.2	147.1	-179.8	-177.6	0	0	0	0	114.9
196	S	25.1	Very low	27.3	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	78%	0.775	S	S	*	*				-173.6	161.2	114.8	53.4	0	0	0	0	115.6
197	L	26.6	Very low	27.3	Very low	150 Å²	150	137.4 Å²	137.4	79%	0.785	77%	0.768	S	S	*	*			trans	-55.4	168.7	177.5	-76.3	78.1	0	0	0	115.7
198	S	29	Very low	27.4	Very low	90 Å²	90	136.9 Å²	136.9	63%	0.629	77%	0.765	S	S	*	*			cis	-173.8	157.1	-14.9	50.6	0	0	0	0	111.8
199	I	32.5	Very low	27.6	Very low	162 Å²	162	136.5 Å²	136.5	83%	0.831	76%	0.763	S	S	*	*			trans	25.5	121.6	141	-57.6	170	0	0	0	116.9
200	A	27.6	Very low	27.6	Very low	90 Å²	90	138 Å²	138	74%	0.744	77%	0.769	S	S	*	*				-177.6	178.6	57.9	0	0	0	0	0	109.9
201	K	28.2	Very low	28.5	Very low	167 Å²	167	135.4 Å²	135.4	73%	0.726	76%	0.761	S	S	*	*			cis	-173.9	146.4	-21.8	174.1	174	-172.7	-72	0	108.6
202	D	27.2	Very low	28.8	Very low	120 Å²	120	136.7 Å²	136.7	64%	0.642	76%	0.757	S	S	*	*			trans	62	138.2	167.7	-60.8	-13.2	0	0	0	123.1
203	S	27.2	Very low	28.9	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	76%	0.764	S	S	*	*			trans	16.9	148.9	131.6	-53.6	0	0	0	0	121.9
204	V	36.3	Very low	29	Very low	126 Å²	126	131 Å²	131	76%	0.764	75%	0.746	S	S	*	*			cis	-158.7	176.5	0.2	114.5	0	0	0	0	110.6
205	E	31.9	Very low	29.5	Very low	174 Å²	174	133.4 Å²	133.4	81%	0.813	75%	0.745	S	S	*	*			trans	-31.8	151	172.8	-49.9	175.9	131.3	0	0	118.3
206	Q	25	Very low	29.6	Very low	205 Å²	205	135.1 Å²	135.1	96%	0.958	74%	0.741	S	S	*	*			trans	-151.8	161.7	145	-123	173.6	39.9	0	0	115.3
207	R	27.9	Very low	29.9	Very low	177 Å²	177	139.7 Å²	139.7	67%	0.668	74%	0.741	S	S	*	*			trans	-92.8	156.2	-164.7	-163	-173.7	-120.6	142	-3.7	113	E635	R207-E635 IonicContact CZ-OE2 3.58Å; R207-E635 IonicContact NE-OE2 3.37Å; R207-E635 PolarHBondContact NE-OE2 2.87Å; R207-E635 IonicContact NH2-OE2 3.52Å; R207-E635 PolarHBondContact NH2-OE2 2.77Å
208	Q	29	Very low	30.1	Very low	136 Å²	136	138.3 Å²	138.3	64%	0.636	73%	0.734	S	S	*	*			trans	-62.4	157.1	168.1	-57.6	178.8	10.8	0	0	112.1
209	H	30	Very low	30.1	Very low	158 Å²	158	138.7 Å²	138.7	73%	0.731	74%	0.736	S	S	*	*			cis	-167.8	133.5	-21.8	-108.5	-44.8	0	0	0	111.2
210	S	26.6	Very low	29.9	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	74%	0.739	S	S	*	*			trans	71.3	166.4	135.4	84.6	0	0	0	0	119.8
211	P	45.2	Very low	31.2	Very low	107 Å²	107	141.4 Å²	141.4	70%	0.695	73%	0.73	S	S	*	*			cis	-127.2	149.1	5.1	39.7	-24.3	0	0	0	118.3
212	L	31.2	Very low	31.4	Very low	155 Å²	155	142.9 Å²	142.9	81%	0.812	74%	0.736	S	S	*	*			trans	42	136.6	135.8	-54.5	-177.6	0	0	0	119.7
213	T	26.5	Very low	31.6	Very low	127 Å²	127	141.8 Å²	141.8	78%	0.779	74%	0.738	S	S	*	*			cis	-167.9	173.2	21.9	-6.7	0	0	0	0	108.6
214	A	27	Very low	32	Very low	71 Å²	71	144.1 Å²	144.1	59%	0.587	74%	0.742	S	S	*	*			cis	-163	178.2	-1.3	0	0	0	0	0	110.2
215	L	33.5	Very low	31.8	Very low	152 Å²	152	141.9 Å²	141.9	80%	0.796	75%	0.745	S	S	*	*			trans	67.7	141	153.2	-65.7	172.4	0	0	0	118.3
216	E	28.9	Very low	31.8	Very low	144 Å²	144	140.3 Å²	140.3	67%	0.673	74%	0.742	S	S	*	*			cis	-167	141.1	-5.1	-171.5	163.5	-160.5	0	0	113.6
217	W	31.2	Very low	32	Very low	209 Å²	209	141 Å²	141	79%	0.792	74%	0.736	S	S	*	*			trans	72.7	125.6	153.8	-80.8	39.5	0	0	0	127.6
218	D	30.9	Very low	32	Very low	121 Å²	121	137.7 Å²	137.7	65%	0.647	74%	0.74	S	S	*	*				75.1	126.2	124.7	-74.6	32.6	0	0	0	130.9
219	S	28.5	Very low	32.6	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	75%	0.745	S	S	*	*				90	98.1	128.5	-71.1	0	0	0	0	128
220	Y	27.3	Very low	32.7	Very low	226 Å²	226	134.9 Å²	134.9	89%	0.886	75%	0.749	S	S	*	*				70.4	166.9	121.5	-84.2	-50.2	0	0	0	125.5
221	P	56	Low	33.8	Very low	84 Å²	84	135.6 Å²	135.6	55%	0.545	75%	0.751	S	S	.	*			trans	-135.4	-155.7	-131.8	48.8	-30.3	0	0	0	119.8
222	F	31.4	Very low	32.9	Very low	198 Å²	198	138.1 Å²	138.1	87%	0.868	76%	0.755	S	S	*	*			trans	99.1	155.7	169.5	-58.6	-63.2	0	0	0	118.5
223	S	31.1	Very low	32.7	Very low	96 Å²	96	136.7 Å²	136.7	67%	0.671	75%	0.749	S	S	*	*			cis	-166.8	160	-12.2	154.6	0	0	0	0	113.5
224	D	35.8	Very low	32.9	Very low	159 Å²	159	137.5 Å²	137.5	85%	0.85	75%	0.748	S	S	*	*			trans	-1.9	162	164.8	-49.3	-82.9	0	0	0	127.1
225	G	32	Very low	33.1	Very low	80 Å²	80	140.6 Å²	140.6	83%	0.825	76%	0.759	S	S	*	*			trans	166.2	148.3	162.9	0	0	0	0	0	117
226	D	33.5	Very low	33	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	76%	0.758	S	S	*	*			trans	-153.4	157.3	-169.7	-152.2	1.2	0	0	0	117.2
227	W	28.6	Very low	33.7	Very low	219 Å²	219	139.9 Å²	139.9	83%	0.83	76%	0.762	S	S	*	*			trans	51.5	126.1	170.8	-59.9	96.8	0	0	0	126
228	S	27.5	Very low	33.8	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	76%	0.759	S	S	*	*			trans	41.5	167.4	132.9	-118.2	0	0	0	0	124.2
229	P	41.6	Very low	34	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	77%	0.765	S	S	*	*			cis	-132.4	-168.4	-10.8	42.9	-24.4	0	0	0	115.6
230	C	33.2	Very low	35	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	77%	0.773	S	S	*	*			trans	-75.7	175.7	173.2	-67.4	0	0	0	0	113.7
231	P	49	Very low	35.4	Very low	119 Å²	119	136.5 Å²	136.5	77%	0.773	78%	0.776	S	S	*	*			cis	-152.4	-174.4	24.4	45	-23.2	0	0	0	120.7
232	M	26.6	Very low	34.4	Very low	159 Å²	159	137.9 Å²	137.9	78%	0.783	79%	0.788	S	S	*	*			trans	84.1	116.2	143.1	-157.4	-173.3	-115.2	0	0	121.5
233	N	27	Very low	34.9	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	78%	0.78	S	S	*	*				174.9	141	110.3	-97.6	-63.4	0	0	0	118.2
234	L	31	Very low	35.5	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	79%	0.79	S	S	*	*			trans	71.2	115.3	137.8	-79.7	165.2	0	0	0	126.7
235	T	29.8	Very low	35.7	Very low	135 Å²	135	136.9 Å²	136.9	83%	0.828	79%	0.789	S	S	*	*			trans	85.3	143.3	138.4	8.3	0	0	0	0	124.2
236	E	32.4	Very low	35.7	Very low	167 Å²	167	141 Å²	141	78%	0.78	79%	0.791	S	S	*	*			trans	-99.8	175.2	177.1	-149.3	-165.2	-150.9	0	0	110.3
237	P	43.9	Very low	35.5	Very low	115 Å²	115	141.7 Å²	141.7	75%	0.747	79%	0.791	S	S	*	*				-156	157.1	81.5	40.8	-20.8	0	0	0	119.4
238	A	32.3	Very low	35.6	Very low	89 Å²	89	138 Å²	138	74%	0.736	79%	0.792	S	S	*	*			trans	78	142.3	138.5	0	0	0	0	0	123.3
239	S	35.1	Very low	35.8	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	79%	0.793	S	S	*	*			trans	-143.9	162.3	173.2	52.1	0	0	0	0	110.8
240	P	50.3	Low	35.9	Very low	132 Å²	132	141.1 Å²	141.1	86%	0.857	79%	0.793	S	S	*	*			trans	-92.7	164.3	-177	35.5	-34.4	0	0	0	114.8
241	R	35.3	Very low	35.7	Very low	251 Å²	251	141.4 Å²	141.4	95%	0.947	79%	0.791	S	S	*	*			trans	-125.8	157.8	-174.4	-73.1	-179.9	170.8	-176.7	-3.6	114.2
242	S	34.9	Very low	34.6	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	79%	0.79	S	S	*	*			trans	-166	128.2	142.4	-172.8	0	0	0	0	106.9
243	D	42.1	Very low	34.6	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	78%	0.779	S	S	*	*			cis	113.6	119	17.1	-172	22.8	0	0	0	112.7
244	S	43	Very low	34.5	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	78%	0.78	S	S	*	*			trans	-179.5	97.8	159.5	-78.9	0	0	0	0	109.6
245	E	40.1	Very low	34.4	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	78%	0.775	S	S	*	*			trans	-89.8	158.9	174.2	-64.8	-168.9	157.3	0	0	113.5
246	L	31.5	Very low	34.6	Very low	166 Å²	166	143.9 Å²	143.9	87%	0.869	77%	0.772	S	S	*	*			trans	-165.4	134.7	134.8	-111.2	168.6	0	0	0	111.8
247	M	30.7	Very low	34.5	Very low	156 Å²	156	141 Å²	141	77%	0.768	77%	0.771	S	S	*	*			trans	-127.9	141.7	175.1	-65.2	-172.2	77.8	0	0	111.5
248	V	30.3	Very low	33.9	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	78%	0.776	S	S	*	*			trans	-141.3	140.8	157.7	-173.1	0	0	0	0	110.1
249	K	30.8	Very low	33.8	Very low	175 Å²	175	144.1 Å²	144.1	76%	0.761	78%	0.778	S	S	*	*			trans	-148.9	172.9	171	-76.6	-175.1	177.7	179.3	0	106.9
250	P	44.6	Very low	33.5	Very low	115 Å²	115	147 Å²	147	75%	0.747	78%	0.779	S	S	*	*			cis	-110.6	-169	-16.7	35.5	-17.2	0	0	0	109.6
251	T	28.4	Very low	32.4	Very low	126 Å²	126	148.1 Å²	148.1	77%	0.773	77%	0.774	S	S	*	*			cis	-139.8	-138.9	18.7	-28.3	0	0	0	0	109.3
252	E	26.9	Very low	31.9	Very low	162 Å²	162	144.8 Å²	144.8	76%	0.757	77%	0.77	S	S	*	*			cis	-139.4	-173.4	6.6	-131.6	-85.4	73.2	0	0	109.6
253	S	25.6	Very low	32	Very low	80 Å²	80	150.7 Å²	150.7	56%	0.559	78%	0.775	S	S	*	*			trans	-86.5	170.3	-173.7	69.6	0	0	0	0	113
254	M	26.1	Very low	31.6	Very low	141 Å²	141	150 Å²	150	70%	0.695	78%	0.78	S	S	*	*			cis	-157.8	138.5	15	-148.6	-179	-146.5	0	0	112.1
255	F	29.1	Very low	31	Very low	147 Å²	147	153.8 Å²	153.8	65%	0.645	78%	0.775	S	S	*	*			trans	61	141.8	159	-61.3	-35.9	0	0	0	120.7
256	R	32.5	Very low	30.8	Very low	204 Å²	204	149 Å²	149	77%	0.77	77%	0.773	S	S	*	*			cis	-147.2	126.3	-10	-102.3	165.2	-161.5	-175.9	4	106.7
257	S	29.9	Very low	30.9	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	78%	0.775	S	S	*	*				83.1	108.2	70.1	-60	0	0	0	0	113.8
258	D	32.2	Very low	31.1	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	78%	0.777	S	S	*	*			trans	-63.1	151.1	161	-70.2	-73.5	0	0	0	112.2
259	S	29.8	Very low	31.3	Very low	111 Å²	111	150.1 Å²	150.1	78%	0.776	78%	0.778	S	S	*	*				157.5	140.6	107.9	51.7	0	0	0	0	114.4
260	H	28.7	Very low	31.2	Very low	169 Å²	169	150.6 Å²	150.6	78%	0.782	78%	0.783	S	S	*	*			trans	60.8	139	154.6	-106.8	-109.6	0	0	0	122.7
261	M	27.5	Very low	30.7	Very low	155 Å²	155	150.2 Å²	150.2	76%	0.764	78%	0.783	S	S	*	*			trans	53.8	122.4	153.7	-72.9	159.6	54.9	0	0	117.9
262	Q	26.2	Very low	30.8	Very low	182 Å²	182	150.7 Å²	150.7	85%	0.85	79%	0.786	S	S	*	*				-163.3	164.8	66.3	-80.5	173	-86.6	0	0	111.6
263	W	35.8	Very low	31.1	Very low	238 Å²	238	154.1 Å²	154.1	90%	0.902	79%	0.792	S	S	*	*			trans	-98.6	114.1	163.2	-84.8	86.3	0	0	0	110.4
264	S	34.3	Very low	31.3	Very low	116 Å²	116	157.2 Å²	157.2	81%	0.811	81%	0.807	S	S	*	*			trans	-104.6	108.5	171.7	53.3	0	0	0	0	110.5
265	W	30	Very low	31.5	Very low	206 Å²	206	157.3 Å²	157.3	78%	0.78	81%	0.81	S	S	*	*			trans	-85.1	129	171.4	-90.9	97.5	0	0	0	111	M1	M1-W265 HydrophobicContact CE-CH2 3.99Å; M1-W265 HydrophobicContact CE-CZ3 3.66Å; M1-W265 HydrophobicContact SD-CZ3 4.37Å
266	G	36.9	Very low	31.6	Very low	75 Å²	75	160.2 Å²	160.2	77%	0.773	82%	0.823	S	S	*	*			trans	116.6	90.6	158.6	0	0	0	0	0	115.9
267	E	32.1	Very low	31.6	Very low	194 Å²	194	160 Å²	160	91%	0.907	83%	0.828	S	S	*	*			trans	-147.9	149	158.7	-144	169.8	-150	0	0	109.2
268	L	35.8	Very low	31.6	Very low	158 Å²	158	160.4 Å²	160.4	83%	0.827	83%	0.83	S	S	*	*			trans	-102.7	138.6	172.4	-89.7	84.5	0	0	0	109.7	E270	L268-E270 PolarHBondContact O-N 2.94Å
269	P	34.9	Very low	31.4	Very low	132 Å²	132	161.9 Å²	161.9	86%	0.857	83%	0.832	S	S	*	*			trans	-74.9	105	172.3	30.1	-32.9	0	0	0	110.9
270	E	28.7	Very low	31.5	Very low	186 Å²	186	163.6 Å²	163.6	87%	0.869	84%	0.838	S	S	*	*			trans	-74.1	152.8	166.1	-71	-152.5	136.4	0	0	112.1	L268	L268-E270 PolarHBondContact O-N 2.94Å
271	S	34	Very low	31.4	Very low	106 Å²	106	164.8 Å²	164.8	74%	0.741	84%	0.841	S	S	*	*			trans	-87.3	118.1	-171.7	73.4	0	0	0	0	113.6	R273	S271-R273 PolarHBondContact O-N 3.17Å
272	T	29.7	Very low	31.6	Very low	136 Å²	136	164.2 Å²	164.2	83%	0.834	85%	0.846	S	S	*	*			trans	-84	98.6	166.9	43.7	0	0	0	0	111.4	V274	T272-V274 PolarHBondContact O-N 3.01Å
273	R	34.3	Very low	31.7	Very low	235 Å²	235	163.9 Å²	163.9	89%	0.887	84%	0.844	S	S	*	*			trans	-72.2	117.7	164.6	-68.8	178.3	177.1	176.5	-1.1	109.6	S271	S271-R273 PolarHBondContact O-N 3.17Å
274	V	28.3	Very low	31.4	Very low	145 Å²	145	157.9 Å²	157.9	88%	0.879	84%	0.839	S	S	*	*			trans	-123.3	132.6	158.5	179.6	0	0	0	0	108.6	T272	T272-V274 PolarHBondContact O-N 3.01Å
275	N	31.2	Very low	31.5	Very low	142 Å²	142	159.7 Å²	159.7	76%	0.759	84%	0.838	S	S	*	*			trans	-132.7	118.6	-171	175.4	7.9	0	0	0	109.7
276	K	30	Very low	31.8	Very low	208 Å²	208	155.9 Å²	155.9	90%	0.904	84%	0.837	S	S	*	*			trans	-152.7	135.7	159	-119	171.9	-176.9	177.7	0	110.7
277	K	33.8	Very low	31.9	Very low	201 Å²	201	158.1 Å²	158.1	87%	0.874	84%	0.839	S	S	*	*			trans	-83.6	146.6	-178.6	-65.7	176.7	173.9	-179.1	0	111.7
278	S	28.6	Very low	32.2	Very low	115 Å²	115	153.6 Å²	153.6	80%	0.804	83%	0.828	S	S	*	*			trans	-147.3	115.5	145	57.9	0	0	0	0	109.8
279	E	28.7	Very low	32.5	Very low	190 Å²	190	155.6 Å²	155.6	89%	0.888	83%	0.833	S	S	*	*			trans	19.4	123.4	163.1	-57.5	-176	158.3	0	0	121	K281	E279-K281 PolarHBondContact O-N 2.91Å
280	T	32	Very low	33.2	Very low	146 Å²	146	154.1 Å²	154.1	90%	0.896	83%	0.826	S	S	*	*			trans	-68.1	124	163.6	46.9	0	0	0	0	111.3
281	K	27.7	Very low	33.6	Very low	195 Å²	195	150.7 Å²	150.7	85%	0.848	82%	0.818	S	S	*	*			trans	-127.5	102.3	170.5	-146.5	171.6	-166.9	171.3	0	110.5	E279 Q283	E279-K281 PolarHBondContact O-N 2.91Å; K281-Q283 PolarHBondContact O-N 3.26Å
282	T	31.1	Very low	34.4	Very low	143 Å²	143	155 Å²	155	88%	0.877	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-61.9	118.4	177.6	-48.2	0	0	0	0	109.9
283	Q	27.7	Very low	34.6	Very low	174 Å²	174	157.8 Å²	157.8	81%	0.813	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-92.9	123.5	170.2	-65.1	-167.7	11.8	0	0	109.4	K281	K281-Q283 PolarHBondContact O-N 3.26Å
284	S	30.1	Very low	34.9	Very low	113 Å²	113	158.1 Å²	158.1	79%	0.79	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-81.4	127.8	171	-175.3	0	0	0	0	109.1
285	I	36.3	Very low	35.2	Very low	153 Å²	153	157.4 Å²	157.4	79%	0.785	82%	0.824	S	S	*	*			trans	-102.9	112.1	170.9	-60.9	175.9	0	0	0	107.5
286	T	35.8	Very low	35.6	Very low	126 Å²	126	158.1 Å²	158.1	77%	0.773	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-74.8	126.6	172.6	3.4	0	0	0	0	110.1
287	P	38.6	Very low	35.8	Very low	123 Å²	123	155.1 Å²	155.1	80%	0.799	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.9	134	176.2	29.1	-33.5	0	0	0	111
288	S	38.1	Very low	35.7	Very low	98 Å²	98	151.3 Å²	151.3	69%	0.685	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-95.5	141.4	172.6	-172.7	0	0	0	0	110.5	S290	S288-S290 VanDerWaalsContact C-N 3.31Å; S288-S290 PolarHBondContact O-N 2.89Å
289	E	42.4	Very low	36.3	Very low	201 Å²	201	151.3 Å²	151.3	94%	0.939	82%	0.818	S	S	*	*	S	Bend	trans	-77.9	63.4	-171.8	-60.6	-171.6	141.9	0	0	113.8
290	S	49.6	Very low	36.7	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	82%	0.815	S	S	*	*			trans	-151.9	17	178.7	75	0	0	0	0	118.1	S288	S288-S290 VanDerWaalsContact C-N 3.31Å; S288-S290 PolarHBondContact O-N 2.89Å
291	T	37.7	Very low	36.7	Very low	113 Å²	113	144.5 Å²	144.5	69%	0.693	81%	0.809	S	S	*	*			trans	-134.9	125.9	177.4	50	0	0	0	0	113.8	F293	T291-F293 PolarHBondContact O-N 2.82Å
292	H	50.2	Low	36.9	Very low	197 Å²	197	143.9 Å²	143.9	91%	0.912	81%	0.811	S	S	*	*			trans	-88.2	64.3	177.3	-83.4	19.8	0	0	0	112.4
293	F	34.9	Very low	36.9	Very low	195 Å²	195	146.4 Å²	146.4	86%	0.855	81%	0.813	S	S	*	*			trans	-135.2	124.7	166.9	-83.9	-86.1	0	0	0	110.6	T291	T291-F293 PolarHBondContact O-N 2.82Å
294	R	40	Very low	37.1	Very low	242 Å²	242	146.1 Å²	146.1	91%	0.913	82%	0.817	S	S	*	*			trans	-108.2	120.9	166	-73.2	-171	174.8	-152.8	-1	108.6
295	V	35.6	Very low	37.2	Very low	129 Å²	129	147.2 Å²	147.2	78%	0.782	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.3	121.9	170.3	178.5	0	0	0	0	108
296	I	38.1	Very low	37.1	Very low	158 Å²	158	145.8 Å²	145.8	81%	0.81	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.8	116.5	168	-58.9	-179.3	0	0	0	107.1
297	L	34.9	Very low	36.9	Very low	145 Å²	145	146.2 Å²	146.2	76%	0.759	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.4	124.6	172.3	-72	166.5	0	0	0	109	S299	L297-S299 PolarHBondContact O-N 2.81Å
298	S	32.3	Very low	36.3	Very low	120 Å²	120	146.4 Å²	146.4	84%	0.839	81%	0.805	S	S	*	*	S	Bend	trans	-74.4	89.5	-177.7	54	0	0	0	0	111.3
299	S	40.4	Very low	35.8	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	81%	0.807	S	S	*	*			trans	-142.7	13.2	173.6	-51.1	0	0	0	0	113.4	L297	L297-S299 PolarHBondContact O-N 2.81Å
300	A	37.7	Very low	35.1	Very low	102 Å²	102	148.4 Å²	148.4	84%	0.843	80%	0.804	S	S	*	*			trans	-134.9	76.1	-175.7	0	0	0	0	0	110.4
301	A	32.3	Very low	34	Very low	92 Å²	92	148.6 Å²	148.6	76%	0.76	81%	0.805	S	S	*	*			trans	-161.1	37.7	176.9	0	0	0	0	0	112.8
302	M	30.3	Very low	33.6	Very low	181 Å²	181	148.5 Å²	148.5	89%	0.892	81%	0.809	S	S	*	*			trans	-152.9	108.2	170.5	-79.5	-62.8	169	0	0	109
303	E	31.5	Very low	32.9	Very low	197 Å²	197	144.7 Å²	144.7	92%	0.921	80%	0.804	S	S	*	*			trans	171.1	150.5	148.6	-98	167.2	-157.3	0	0	108.8
304	D	32	Very low	33	Very low	167 Å²	167	143.8 Å²	143.8	89%	0.893	80%	0.803	S	S	*	*			trans	-102	164.7	-157.7	-72.1	-69.6	0	0	0	116.6
305	E	31.9	Very low	32.7	Very low	136 Å²	136	138.1 Å²	138.1	64%	0.636	80%	0.797	S	S	*	*			trans	-45.7	154.5	168.8	-86	-69.8	135.4	0	0	115.4	I307	E305-I307 VanDerWaalsContact OE2-CG1 3.31Å; E305-I307 WeakPolarHBondContact OE2-CG1 3.46Å; E305-I307 PolarHBondContact OE2-N 2.8Å
306	P	35.1	Very low	32.5	Very low	123 Å²	123	137.5 Å²	137.5	80%	0.799	79%	0.793	S	S	*	*				-146.1	140.4	63.8	37.1	-16.4	0	0	0	119.7
307	I	30.6	Very low	32.1	Very low	136 Å²	136	135.4 Å²	135.4	70%	0.697	79%	0.792	S	S	*	*			trans	-67	144.5	166.6	-72.2	158.8	0	0	0	113.6	E305	E305-I307 VanDerWaalsContact OE2-CG1 3.31Å; E305-I307 WeakPolarHBondContact OE2-CG1 3.46Å; E305-I307 PolarHBondContact OE2-N 2.8Å
308	V	26.6	Very low	31.9	Very low	126 Å²	126	135.3 Å²	135.3	76%	0.764	79%	0.792	S	S	*	*			trans	-127.2	116.3	157.6	175.7	0	0	0	0	110.8
309	Q	27.6	Very low	31.9	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	79%	0.793	S	S	*	*			trans	27.9	122.1	152.8	-50	176.5	4.4	0	0	120.1
310	Q	28	Very low	31.4	Very low	184 Å²	184	138.4 Å²	138.4	86%	0.86	79%	0.793	S	S	*	*				-172	-177.7	95	-103	177.9	23.8	0	0	112.5
311	S	27.6	Very low	31.1	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	79%	0.788	S	S	*	*			trans	-109.9	167.1	-157.5	53.1	0	0	0	0	115.8
312	S	29.1	Very low	31.1	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	79%	0.788	S	S	*	*			trans	97.1	144.8	155.6	80.1	0	0	0	0	120.1
313	S	35.6	Very low	31.3	Very low	118 Å²	118	142 Å²	142	83%	0.825	78%	0.782	S	S	*	*			trans	72	142.1	175.7	69.4	0	0	0	0	118.8
314	E	36.1	Very low	31.3	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.822	78%	0.777	S	S	*	*			trans	-87.7	148.6	-177.9	-55	176.1	143.4	0	0	112.8
315	P	33.4	Very low	31.3	Very low	122 Å²	122	142.5 Å²	142.5	79%	0.792	78%	0.779	S	S	*	*			trans	-100.6	109.2	160.6	33.8	-26.3	0	0	0	111.8	C317	P315-C317 PolarHBondContact O-N 3.02Å
316	V	31.5	Very low	31.3	Very low	116 Å²	116	142.9 Å²	142.9	70%	0.703	79%	0.791	S	S	*	*			trans	-63.6	128.8	174.6	175.1	0	0	0	0	111.3
317	C	29.1	Very low	31	Very low	115 Å²	115	143.2 Å²	143.2	78%	0.777	79%	0.79	S	S	*	*			trans	-69.3	130.6	173.1	-72.3	0	0	0	0	112.1	P315	P315-C317 PolarHBondContact O-N 3.02Å
318	N	30.9	Very low	31	Very low	142 Å²	142	146.2 Å²	146.2	76%	0.759	80%	0.798	S	S	*	*			trans	-141.4	99.7	165.3	-89.5	-72	0	0	0	110.2
319	I	32	Very low	31.3	Very low	168 Å²	168	146.3 Å²	146.3	86%	0.862	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89.5	120.7	175	-66.2	171.2	0	0	0	108.7
320	V	31.3	Very low	31.2	Very low	133 Å²	133	150.6 Å²	150.6	81%	0.806	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.1	122.8	179.9	179.7	0	0	0	0	110.6
321	K	30.6	Very low	31.2	Very low	171 Å²	171	151.1 Å²	151.1	74%	0.743	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79	124.4	177.5	178.3	-169.5	176.1	-167	0	111.4
322	P	33.6	Very low	31	Very low	115 Å²	115	152.7 Å²	152.7	75%	0.747	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-83.2	147.3	168.7	32.9	-33	0	0	0	112
323	E	33.1	Very low	30.9	Very low	165 Å²	165	152.8 Å²	152.8	77%	0.771	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-103.1	149.9	174.7	-70.2	-163.7	133.8	0	0	112.9
324	P	32.7	Very low	30.3	Very low	126 Å²	126	153.8 Å²	153.8	82%	0.818	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.6	144.8	-175.9	32.7	-35.7	0	0	0	113.3
325	R	31.7	Very low	29.9	Very low	247 Å²	247	150.5 Å²	150.5	93%	0.932	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-95.3	131.8	172.5	-72.3	-179.2	174.3	158.6	-0.8	111.6
326	T	30.5	Very low	29.9	Very low	144 Å²	144	150.8 Å²	150.8	88%	0.883	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.7	144.8	178.8	-16	0	0	0	0	112.1
327	V	30.4	Very low	29.6	Very low	131 Å²	131	153.6 Å²	153.6	79%	0.794	83%	0.833	S	S	*	*			trans	-122.3	133.9	173.6	179.9	0	0	0	0	109.5
328	K	29.3	Very low	29.4	Very low	198 Å²	198	154.9 Å²	154.9	86%	0.861	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-92.1	136.8	175.4	-68.9	-176.6	177.9	-179.2	0	110.8
329	P	34.2	Very low	29.7	Very low	128 Å²	128	153.5 Å²	153.5	83%	0.831	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76	154	175.9	31.7	-34.9	0	0	0	112.4
330	R	25.2	Very low	29.5	Very low	249 Å²	249	154 Å²	154	94%	0.94	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-100.9	149.8	160.8	-81.7	-172.4	170.3	-165.6	-2.1	109.7
331	Q	27	Very low	29.3	Very low	194 Å²	194	153.3 Å²	153.3	91%	0.907	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.4	150.5	174.3	-66.7	170	-41.9	0	0	111.6
332	C	23	Very low	29.2	Very low	138 Å²	138	153.9 Å²	153.9	93%	0.932	83%	0.834	S	S	*	*			trans	-135.7	154.5	153.2	-105.3	0	0	0	0	108.8
333	S	27	Very low	28.8	Very low	112 Å²	112	152.1 Å²	152.1	78%	0.783	84%	0.837	S	S	*	*			trans	-101	143.8	-165	53.5	0	0	0	0	114.3
334	C	24.5	Very low	28.6	Very low	139 Å²	139	149.2 Å²	149.2	94%	0.939	84%	0.842	S	S	*	*			trans	-161.5	150.7	141.4	-109.7	0	0	0	0	110.3
335	S	27.8	Very low	28.4	Very low	108 Å²	108	151 Å²	151	76%	0.755	84%	0.844	S	S	*	*			trans	-137.9	153.1	-178.3	53.7	0	0	0	0	111.5
336	P	32.1	Very low	28.2	Very low	128 Å²	128	146.7 Å²	146.7	83%	0.831	84%	0.84	S	S	*	*			trans	-138.2	169.4	133.6	35.7	-22.4	0	0	0	114.2
337	Q	25	Very low	28	Very low	175 Å²	175	148.4 Å²	148.4	82%	0.818	84%	0.835	S	S	*	*			trans	-112.4	178.3	175.7	-63.5	168.6	-104.9	0	0	109.1
338	L	24.9	Very low	27.9	Very low	141 Å²	141	150 Å²	150	74%	0.738	83%	0.834	S	S	*	*			cis	-143.2	-167	14	-110.9	115.6	0	0	0	106.8
339	P	37.8	Very low	27.7	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	82%	0.821	S	S	*	*			cis	-131.7	-179.7	0.4	40.6	-23	0	0	0	116.1
340	E	27.9	Very low	27.4	Very low	179 Å²	179	149.6 Å²	149.6	84%	0.836	83%	0.825	S	S	*	*			trans	-90	168	165.7	-59.4	177.5	119	0	0	112.3
341	S	27	Very low	27.5	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	82%	0.817	S	S	*	*			trans	-147.3	145.1	158.3	58.8	0	0	0	0	112.8
342	H	29.1	Very low	27.5	Very low	183 Å²	183	140 Å²	140	85%	0.847	81%	0.807	S	S	*	*			trans	-77.6	161	176.5	-41.6	-75.2	0	0	0	110.5
343	G	25.7	Very low	27.6	Very low	78 Å²	78	143 Å²	143	80%	0.804	80%	0.799	S	S	*	*			cis	130.8	117.9	4.6	0	0	0	0	0	110.9
344	A	28.4	Very low	27.8	Very low	105 Å²	105	147.4 Å²	147.4	87%	0.868	80%	0.804	S	S	*	*			trans	-152.5	146.9	179.2	0	0	0	0	0	112.3
345	N	28.1	Very low	27.9	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	79%	0.793	S	S	*	*			trans	-99.4	147.8	-178	-64.6	-61.5	0	0	0	112.4
346	N	28.3	Very low	27.8	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	79%	0.793	S	S	*	*				-159.7	169.2	112.4	-126.9	-29.9	0	0	0	114.5
347	K	26.3	Very low	27.6	Very low	180 Å²	180	143.5 Å²	143.5	78%	0.783	78%	0.781	S	S	*	*			trans	-83.9	159.7	-173.6	-54.6	175.5	-178	177	0	111.9
348	Q	26.7	Very low	27.6	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.762	79%	0.785	S	S	*	*				-165.2	152.6	63.2	-82.5	-172.9	-107.2	0	0	114.4
349	D	25.5	Very low	27.7	Very low	111 Å²	111	142.1 Å²	142.1	59%	0.594	78%	0.777	S	S	*	*			trans	23.8	132.5	138.7	-31.5	-39.2	0	0	0	119.4
350	F	27.6	Very low	27.1	Very low	208 Å²	208	141 Å²	141	91%	0.912	77%	0.772	S	S	*	*			cis	-134.4	164.4	5.3	-74.5	-104.5	0	0	0	108.3
351	S	27.7	Very low	27	Very low	112 Å²	112	141 Å²	141	78%	0.783	77%	0.772	S	S	*	*			cis	-151.7	132.3	24.6	47.7	0	0	0	0	114.6
352	D	26.7	Very low	27	Very low	129 Å²	129	140.4 Å²	140.4	69%	0.69	77%	0.768	S	S	*	*			trans	-76.3	165.2	153.6	-92.4	-32.9	0	0	0	109.1
353	R	26.3	Very low	26.8	Very low	202 Å²	202	137 Å²	137	76%	0.762	77%	0.765	S	S	*	*			cis	-160.3	151.3	-9.1	-107.8	158.9	-158.2	-155.7	10.2	105.4
354	K	31	Very low	27.8	Very low	204 Å²	204	139 Å²	139	89%	0.887	76%	0.763	S	S	*	*			cis	71.2	84.8	27.1	-141.1	-175.9	-167.6	-178.7	0	116
355	S	25.3	Very low	27.6	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	76%	0.758	S	S	*	*			trans	-155	105.2	157.6	54.9	0	0	0	0	107.9
356	S	27.2	Very low	27.5	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	76%	0.759	S	S	*	*				91.5	172.6	95.7	76.7	0	0	0	0	110.8
357	S	27.1	Very low	27.4	Very low	83 Å²	83	135.4 Å²	135.4	58%	0.58	75%	0.747	S	S	*	*			cis	-166.3	147.3	8.7	7.1	0	0	0	0	110.4
358	F	25.7	Very low	27.3	Very low	203 Å²	203	133.5 Å²	133.5	89%	0.89	75%	0.745	S	S	*	*			trans	66.2	166.1	143.4	-77	-128.1	0	0	0	118
359	S	25.4	Very low	27.3	Very low	83 Å²	83	131 Å²	131	58%	0.58	75%	0.747	S	S	*	*			cis	-169.3	164.8	-32.3	58.3	0	0	0	0	112.5
360	S	26.4	Very low	27.3	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	76%	0.756	S	S	*	*			trans	73.1	153.7	137.2	66.1	0	0	0	0	122.8
361	Q	26.5	Very low	27.4	Very low	179 Å²	179	127.4 Å²	127.4	84%	0.836	74%	0.744	S	S	*	*			trans	74.5	147.8	166.9	-53.4	-174.5	22.1	0	0	117.3
362	S	26.9	Very low	27.5	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	74%	0.741	S	S	*	*			cis	-166.4	151	-28.8	50.1	0	0	0	0	110.4
363	S	23.4	Very low	27.6	Very low	112 Å²	112	130 Å²	130	78%	0.783	75%	0.749	S	S	*	*			trans	-78.2	-178.3	174.2	-24.2	0	0	0	0	112.7
364	P	46.7	Very low	27.7	Very low	118 Å²	118	125.1 Å²	125.1	77%	0.766	74%	0.742	S	S	*	*			cis	-140.4	-175.6	-10.6	41.6	-23.6	0	0	0	116.3
365	A	23.8	Very low	27.6	Very low	91 Å²	91	125.7 Å²	125.7	75%	0.752	74%	0.738	S	S	*	*			trans	84.8	168.8	137.9	0	0	0	0	0	123.3
366	I	26.4	Very low	27.9	Very low	174 Å²	174	129.6 Å²	129.6	89%	0.892	74%	0.742	S	S	*	*			trans	95.4	142.4	172.1	-56	-179.3	0	0	0	116.3
367	S	25.9	Very low	28.7	Very low	86 Å²	86	130.2 Å²	130.2	60%	0.601	74%	0.744	S	S	*	*			trans	-126.2	172.6	-166.3	66.6	0	0	0	0	113
368	D	24.7	Very low	28.8	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	75%	0.748	S	S	*	*			trans	47.3	120.8	154.9	-44.7	-45.2	0	0	0	120.7
369	S	27.9	Very low	28.8	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	74%	0.74	S	S	*	*				168.4	134.3	101.9	46.4	0	0	0	0	116.1
370	D	25.5	Very low	29	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	74%	0.744	S	S	*	*			trans	39	100.1	139.8	-66.3	-31.6	0	0	0	125.1
371	S	29.5	Very low	29	Very low	93 Å²	93	136 Å²	136	65%	0.65	75%	0.748	S	S	*	*				98.9	152.8	101	84.2	0	0	0	0	123.9
372	N	29.4	Very low	29.1	Very low	136 Å²	136	133 Å²	133	73%	0.727	75%	0.747	S	S	*	*			trans	76.3	102.3	145.5	-73.5	-51.2	0	0	0	122.9
373	N	28.2	Very low	30.3	Very low	158 Å²	158	133.9 Å²	133.9	85%	0.845	75%	0.75	S	S	*	*				175.3	153.4	118.8	-94	-49.7	0	0	0	109.9
374	V	28.8	Very low	31.2	Very low	101 Å²	101	134.8 Å²	134.8	61%	0.612	75%	0.754	S	S	*	*			cis	-154.7	145.5	4.5	93.3	0	0	0	0	111.3
375	R	29.6	Very low	30.3	Very low	216 Å²	216	134.2 Å²	134.2	82%	0.815	75%	0.752	S	S	*	*			trans	32.1	148.1	148.7	-60.7	168.1	-168.5	-175	2	121.3
376	K	31.3	Very low	30.5	Very low	184 Å²	184	139.4 Å²	139.4	80%	0.8	75%	0.752	S	S	*	*			cis	-172.8	163	-7	-113.2	179.8	-179	-177.3	0	107.1
377	P	43.5	Very low	30.6	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	74%	0.743	S	S	*	*				-140.3	-83.6	50.8	34.5	-11.3	0	0	0	118.8
378	R	28.9	Very low	30.6	Very low	175 Å²	175	142.9 Å²	142.9	66%	0.66	75%	0.753	S	S	*	*			trans	-159.1	139.7	-152.2	-79.7	-169.1	68.2	-162.4	2.1	118
379	W	26.7	Very low	30.9	Very low	193 Å²	193	141.5 Å²	141.5	73%	0.731	75%	0.754	S	S	*	*				63	145.6	128.5	-64.8	42.9	0	0	0	120.4
380	T	28.8	Very low	30.8	Very low	109 Å²	109	139.6 Å²	139.6	67%	0.669	75%	0.752	S	S	*	*			cis	-156.6	-166.7	-15.7	25.8	0	0	0	0	106.2
381	S	27.3	Very low	31.1	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	76%	0.756	S	S	*	*			cis	-158.1	-163	25	-54.7	0	0	0	0	111.4
382	S	28.6	Very low	31.2	Very low	117 Å²	117	138.5 Å²	138.5	82%	0.818	76%	0.761	S	S	*	*			trans	-147.6	168.9	174.2	-56.2	0	0	0	0	110.9
383	P	52.4	Low	31.9	Very low	122 Å²	122	138.4 Å²	138.4	79%	0.792	77%	0.768	S	S	*	*			trans	-99.5	175.6	-165	39.7	-36.9	0	0	0	114.7
384	P	40.8	Very low	31.9	Very low	131 Å²	131	134.7 Å²	134.7	85%	0.851	77%	0.767	S	S	*	*			trans	-127.7	151.2	157.4	37.7	-25.3	0	0	0	115
385	S	28.6	Very low	31.9	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	78%	0.781	S	S	*	*			trans	-105.9	169.9	173.2	60	0	0	0	0	112
386	R	27.6	Very low	31.8	Very low	200 Å²	200	129.9 Å²	129.9	76%	0.755	78%	0.776	S	S	*	*			trans	172.1	138.2	132.1	-98.1	167.5	-176.2	-145.7	2.5	116.7
387	R	28.1	Very low	31.8	Very low	185 Å²	185	126.6 Å²	126.6	70%	0.698	78%	0.776	S	S	*	*			trans	71.2	123.3	135.9	-73.3	173	-169.1	-141	-3.8	119
388	N	27	Very low	31.2	Very low	149 Å²	149	125.5 Å²	125.5	80%	0.797	77%	0.771	S	S	*	*				74.2	142.8	85.6	-68.7	34.4	0	0	0	113.2
389	S	29.5	Very low	31.2	Very low	110 Å²	110	125.7 Å²	125.7	77%	0.769	78%	0.78	S	S	*	*			cis	-174.7	155.6	-2.6	41.9	0	0	0	0	111.9
390	G	26.9	Very low	31.4	Very low	72 Å²	72	121.6 Å²	121.6	74%	0.742	79%	0.787	S	S	*	*			trans	91	153.2	167.2	0	0	0	0	0	114.7
391	S	32.2	Very low	31.3	Very low	126 Å²	126	120.2 Å²	120.2	88%	0.881	79%	0.794	S	S	*	*			cis	-153.6	158.8	-2.4	-71.4	0	0	0	0	111.2
392	A	30.4	Very low	31.4	Very low	93 Å²	93	124.1 Å²	124.1	77%	0.769	80%	0.801	S	S	*	*			trans	-96.9	-177	165.5	0	0	0	0	0	109.9
393	P	45.6	Very low	32.2	Very low	135 Å²	135	122.8 Å²	122.8	88%	0.877	79%	0.79	S	S	*	*			cis	-128	-172.5	-6.1	42.1	-26.4	0	0	0	113.2
394	G	27.6	Very low	31.1	Very low	79 Å²	79	123.6 Å²	123.6	81%	0.814	79%	0.787	S	S	*	*			trans	178.8	106.3	169.2	0	0	0	0	0	115.9
395	T	29.5	Very low	30.5	Very low	148 Å²	148	124 Å²	124	91%	0.908	79%	0.786	S	S	*	*			trans	-83.5	150.5	171.9	45.8	0	0	0	0	113.1
396	G	27.6	Very low	30.3	Very low	68 Å²	68	122.7 Å²	122.7	70%	0.701	79%	0.79	S	S	*	*			trans	132.7	116.3	136.2	0	0	0	0	0	119.9
397	S	30.6	Very low	30.1	Very low	115 Å²	115	119.2 Å²	119.2	80%	0.804	80%	0.795	S	S	*	*			trans	51.1	124.4	133.3	59.3	0	0	0	0	123.7
398	S	29.8	Very low	30.8	Very low	99 Å²	99	115.4 Å²	115.4	69%	0.692	79%	0.794	S	S	*	*			trans	71.5	119.1	131	-69	0	0	0	0	123.7
399	E	30.3	Very low	31	Very low	179 Å²	179	115.5 Å²	115.5	84%	0.836	80%	0.795	S	S	*	*				77.9	129.2	126	-68.5	-179.1	96.8	0	0	123.6
400	A	29.8	Very low	31.3	Very low	107 Å²	107	113.9 Å²	113.9	88%	0.884	79%	0.788	S	S	*	*			trans	68.1	135.8	142.9	0	0	0	0	0	120.7
401	G	27.4	Very low	31.4	Very low	80 Å²	80	120.3 Å²	120.3	83%	0.825	80%	0.795	S	S	*	*			trans	147.2	79	166.7	0	0	0	0	0	116
402	E	29	Very low	31.4	Very low	186 Å²	186	118.8 Å²	118.8	87%	0.869	79%	0.791	S	S	*	*			trans	-75.6	175.5	153.6	-118.6	-147.6	153.9	0	0	109.8
403	P	45.6	Very low	31.6	Very low	89 Å²	89	118.5 Å²	118.5	58%	0.578	79%	0.788	S	S	*	*			cis	-142.5	-161.9	3.1	29.4	-2.6	0	0	0	115.3
404	L	28.7	Very low	31.1	Very low	139 Å²	139	117.4 Å²	117.4	73%	0.728	78%	0.784	S	S	*	*			trans	91.9	122.3	147.1	-69.4	168.4	0	0	0	123
405	T	28	Very low	31.3	Very low	138 Å²	138	122.5 Å²	122.5	85%	0.847	78%	0.783	S	S	*	*			trans	67.1	135.8	138.2	55	0	0	0	0	122.5
406	G	24.2	Very low	31.3	Very low	79 Å²	79	120.8 Å²	120.8	81%	0.814	77%	0.773	S	S	*	*			trans	156.7	78.8	153.2	0	0	0	0	0	118.7
407	C	23.4	Very low	31.4	Very low	128 Å²	128	123.3 Å²	123.3	87%	0.865	78%	0.775	S	S	*	*			trans	-72	169.7	152.2	-70.2	0	0	0	0	109.6
408	P	44.7	Very low	31.2	Very low	105 Å²	105	124.5 Å²	124.5	68%	0.682	77%	0.772	S	S	*	*			cis	-157.7	-172	35.1	46	-23.4	0	0	0	120.1
409	D	30.8	Very low	31.4	Very low	151 Å²	151	124.1 Å²	124.1	81%	0.807	77%	0.77	S	S	*	*			trans	71.6	148.9	143.7	-71.9	-16.3	0	0	0	122.8
410	A	34.7	Very low	32	Very low	75 Å²	75	121 Å²	121	62%	0.62	77%	0.765	S	S	*	*			cis	-173.3	177	-16.7	0	0	0	0	0	112.5
411	K	29.5	Very low	32.2	Very low	207 Å²	207	123.2 Å²	123.2	90%	0.9	76%	0.761	S	S	*	*			trans	85.7	144.4	165.6	-57.8	170.5	-177.9	171.6	0	116
412	A	32.9	Very low	32.3	Very low	95 Å²	95	129.4 Å²	129.4	79%	0.785	77%	0.765	S	S	*	*			cis	-174.9	165.4	-11.4	0	0	0	0	0	109.2
413	A	33.4	Very low	32.3	Very low	86 Å²	86	124.4 Å²	124.4	71%	0.711	76%	0.763	S	S	*	*			cis	-175.3	179.5	-24.5	0	0	0	0	0	109.6
414	S	35.3	Very low	31.9	Very low	113 Å²	113	130.3 Å²	130.3	79%	0.79	78%	0.779	S	S	*	*			trans	77.9	145.9	172.2	84.1	0	0	0	0	117
415	K	31.4	Very low	31.8	Very low	185 Å²	185	129.6 Å²	129.6	80%	0.804	78%	0.781	S	S	*	*			cis	-156.1	145.5	1.6	-129.6	165.7	-174.7	177.8	0	112.6
416	T	29.7	Very low	32.1	Very low	113 Å²	113	129.5 Å²	129.5	69%	0.693	78%	0.779	S	S	*	*			trans	-10	150.7	151.2	57.5	0	0	0	0	118.9
417	T	30.6	Very low	32.2	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	78%	0.782	S	S	*	*			cis	-171.9	174.2	16.9	3	0	0	0	0	109.2
418	D	26.1	Very low	32.7	Very low	139 Å²	139	140.3 Å²	140.3	74%	0.743	78%	0.783	S	S	*	*			cis	-157.8	-149.1	-10.3	-151.5	-44.4	0	0	0	110.3
419	S	33.6	Very low	32	Very low	92 Å²	92	147.1 Å²	147.1	64%	0.643	80%	0.795	S	S	*	*			trans	-123.5	174.1	-167.9	-32.1	0	0	0	0	111.6
420	P	44	Very low	31.9	Very low	113 Å²	113	144.3 Å²	144.3	73%	0.734	79%	0.787	S	S	*	*				-155.5	148.3	58.9	40.1	-17.2	0	0	0	120.6
421	I	32.8	Very low	32.2	Very low	154 Å²	154	149.9 Å²	149.9	79%	0.79	80%	0.8	S	S	*	*			trans	36	118.6	132.9	-45	170.7	0	0	0	120.5
422	K	30.7	Very low	32.5	Very low	210 Å²	210	148.6 Å²	148.6	91%	0.913	80%	0.797	S	S	*	*				-178.9	142.2	124.6	-103.6	163.3	-170.8	172.6	0	116
423	G	27.5	Very low	32.6	Very low	80 Å²	80	153.3 Å²	153.3	83%	0.825	80%	0.803	S	S	*	*			trans	99.1	103.6	141.4	0	0	0	0	0	119.4
424	K	38.3	Very low	32.7	Very low	214 Å²	214	152 Å²	152	93%	0.93	80%	0.798	S	S	*	*			trans	-76.7	128.2	161.2	-72.4	178.9	176.5	177.1	0	110.9
425	V	27.2	Very low	32.8	Very low	124 Å²	124	152.9 Å²	152.9	75%	0.752	80%	0.801	S	S	*	*			trans	-142.3	118.3	149	-179.9	0	0	0	0	109.6	R427	V425-R427 HydrophobicContact CG1-CG 4.22Å
426	V	33.4	Very low	33	Very low	135 Å²	135	152.7 Å²	152.7	82%	0.818	80%	0.803	S	S	*	*			trans	-93.4	128.5	168	173.9	0	0	0	0	109.1
427	R	27.2	Very low	33.5	Very low	233 Å²	233	153.8 Å²	153.8	88%	0.879	81%	0.805	S	S	*	*			trans	-135.9	135.2	162.2	-74.3	-173.1	172.6	171.6	-1.4	109.8	V425	V425-R427 HydrophobicContact CG1-CG 4.22Å
428	K	33.2	Very low	34.1	Very low	201 Å²	201	153.2 Å²	153.2	87%	0.874	80%	0.796	S	S	*	*			trans	-87.5	166.8	-177.9	-76.1	-175.4	172.6	-177.4	0	112
429	R	29.8	Very low	35.1	Very low	249 Å²	249	153.6 Å²	153.6	94%	0.94	79%	0.788	S	S	*	*			trans	87.9	141.5	161.4	-141	167.7	-170.3	163.7	5.2	113.5
430	S	29.3	Very low	35.3	Very low	92 Å²	92	156.7 Å²	156.7	64%	0.643	80%	0.796	S	S	*	*			cis	-130.4	142.5	17.7	52.2	0	0	0	0	116.3	H432	S430-H432 PolarHBondContact O-N 2.78Å
431	Q	39.4	Very low	35.2	Very low	191 Å²	191	158.3 Å²	158.3	89%	0.893	79%	0.794	S	S	*	*			trans	-70.3	101.3	162.5	-67.3	166	-60.5	0	0	110.2
432	H	35.8	Very low	35.9	Very low	180 Å²	180	154.5 Å²	154.5	83%	0.833	78%	0.776	S	S	*	*			trans	-160.3	59.7	159.5	-83.5	-48.8	0	0	0	110.3	S430	S430-H432 PolarHBondContact O-N 2.78Å
433	Q	35.7	Very low	37	Very low	194 Å²	194	149 Å²	149	91%	0.907	76%	0.755	S	S	*	*			trans	-147.1	146.7	165.8	-103.3	155.6	-18.9	0	0	107.2
434	G	36.1	Very low	38.1	Very low	60 Å²	60	150.5 Å²	150.5	62%	0.619	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-73	172.4	171.8	0	0	0	0	0	111.3
435	P	37.5	Very low	38.7	Very low	131 Å²	131	144.5 Å²	144.5	85%	0.851	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61.1	144.1	168.8	29.3	-34.2	0	0	0	109.9
436	E	35.9	Very low	39.9	Very low	180 Å²	180	141.5 Å²	141.5	84%	0.841	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-74.9	148.5	171.9	-63.9	173.4	140.3	0	0	109.4	I438	E436-I438 PolarHBondContact O-N 2.86Å
437	D	40.3	Very low	40.6	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-68	127	-176.6	-61.1	-66.3	0	0	0	111.2	Y439	D437-Y439 HydrophobicContact CB-CE2 4.27Å; D437-Y439 WeakPolarHBondContact O-CD2 3.38Å; D437-Y439 WeakPolarHBondContact O-CE2 3.47Å
438	I	43.3	Very low	41.7	Very low	108 Å²	108	135.7 Å²	135.7	55%	0.554	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-92.8	125.7	177.4	-60.2	176.6	0	0	0	108	E436 D442	E436-I438 PolarHBondContact O-N 2.86Å; I438-D442 HydrophobicContact CG2-CB 3.62Å
439	Y	46.2	Very low	42.5	Very low	148 Å²	148	129.3 Å²	129.3	58%	0.58	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-89.6	162.4	-177.5	-69.9	-97.9	0	0	0	111.1	D437 E441 D442	D437-Y439 HydrophobicContact CB-CE2 4.27Å; D437-Y439 WeakPolarHBondContact O-CD2 3.38Å; D437-Y439 WeakPolarHBondContact O-CE2 3.47Å; Y439-E441 PolarHBondContact O-N 3.47Å; Y439-E441 VanDerWaalsContact O-N 3.11Å; Y439-D442 PolarHBondContact N-OD2 2.87Å; Y439-D442 WeakPolarHBondContact O-CB 3.38Å; Y439-D442 PolarHBondContact O-N 2.85Å
440	L	37.4	Very low	43.6	Very low	156 Å²	156	120 Å²	120	82%	0.817	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-21.9	-174.6	-90	144.2	0	0	0	113.7	L443	L440-L443 HydrophobicContact CD2-CD1 4.02Å
441	E	42.8	Very low	44.8	Very low	148 Å²	148	116.9 Å²	116.9	69%	0.692	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-29.4	174.6	54.3	-135.3	120.5	0	0	114	Y439 L443 S444	Y439-E441 PolarHBondContact O-N 3.47Å; Y439-E441 VanDerWaalsContact O-N 3.11Å; E441-L443 VanDerWaalsContact C-N 3.27Å; E441-L443 PolarHBondContact O-N 2.95Å; E441-S444 PolarHBondContact O-OG 3.18Å
442	D	47.8	Very low	45.5	Very low	74 Å²	74	110.4 Å²	110.4	40%	0.396	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-71.6	-18	-179.7	-62.8	-51.8	0	0	0	113.5	I438 Y439 S444 A445	I438-D442 HydrophobicContact CG2-CB 3.62Å; Y439-D442 PolarHBondContact N-OD2 2.87Å; Y439-D442 WeakPolarHBondContact O-CB 3.38Å; Y439-D442 PolarHBondContact O-N 2.85Å; D442-S444 PolarHBondContact O-N 2.89Å; D442-S444 VanDerWaalsContact O-N 3.1Å; D442-A445 PolarHBondContact O-N 2.92Å
443	L	53.2	Low	46	Very low	93 Å²	93	111.3 Å²	111.3	49%	0.487	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-58	-25.6	179.9	-75.8	168.3	0	0	0	113.2	L440 E441 A445 L446	L440-L443 HydrophobicContact CD2-CD1 4.02Å; E441-L443 VanDerWaalsContact C-N 3.27Å; E441-L443 PolarHBondContact O-N 2.95Å; L443-A445 VanDerWaalsContact C-N 3.32Å; L443-L446 HydrophobicContact CD2-CD1 4.34Å
444	S	49.9	Very low	46.2	Very low	113 Å²	113	110.8 Å²	110.8	79%	0.79	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-73	-19.7	176.7	64.7	0	0	0	0	114.3	E441 D442	E441-S444 PolarHBondContact O-OG 3.18Å; D442-S444 PolarHBondContact O-N 2.89Å; D442-S444 VanDerWaalsContact O-N 3.1Å
445	A	52	Low	46.5	Very low	88 Å²	88	114.7 Å²	114.7	73%	0.727	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-99.4	-2.7	-176.2	0	0	0	0	0	113.8	D442 L443	D442-A445 PolarHBondContact O-N 2.92Å; L443-A445 VanDerWaalsContact C-N 3.32Å
446	L	50.9	Low	46.3	Very low	60 Å²	60	114.6 Å²	114.6	31%	0.314	61%	0.607	S	S	.	*	S	Bend	trans	-84.8	136.5	-178.2	-84.8	163	0	0	0	112.5	L443 V450	L443-L446 HydrophobicContact CD2-CD1 4.34Å; L446-V450 HydrophobicContact CD2-CB 4.43Å; L446-V450 HydrophobicContact CD2-CG1 4.07Å
447	E	49.1	Very low	46.1	Very low	141 Å²	141	114.7 Å²	114.7	66%	0.659	61%	0.605	S	S	*	*			trans	-62.4	134.7	173.3	-128.9	-172.9	-160.3	0	0	110.4	A449 V450 A451	E447-A449 PolarHBondContact O-N 2.85Å; E447-V450 HydrophobicContact CB-CG2 4.2Å; E447-V450 WeakPolarHBondContact O-CB 3.45Å; E447-V450 PolarHBondContact O-N 2.89Å; E447-A451 PolarHBondContact O-N 3.22Å
448	P	50.1	Low	45.7	Very low	105 Å²	105	113.6 Å²	113.6	68%	0.682	61%	0.608	S	S	*	*	H	α-helix	trans	-55.5	-32.8	-174.1	-30	35.9	0	0	0	114.7	V450 A451 A452	P448-V450 PolarHBondContact O-N 2.85Å; P448-A451 PolarHBondContact O-N 3.42Å; P448-A452 WeakPolarHBondContact O-CB 3.09Å; P448-A452 PolarHBondContact O-N 3.31Å
449	A	49.2	Very low	45.1	Very low	68 Å²	68	118 Å²	118	56%	0.562	63%	0.626	S	S	*	*	H	α-helix	trans	-69.3	-18.2	177.4	0	0	0	0	0	114.2	E447	E447-A449 PolarHBondContact O-N 2.85Å
450	V	54.1	Low	44.5	Very low	53 Å²	53	115.1 Å²	115.1	32%	0.321	63%	0.633	S	S	.	*	H	α-helix	trans	-89.5	-44.8	174.5	-175.4	0	0	0	0	110.1	L446 E447 P448 A452 R453	L446-V450 HydrophobicContact CD2-CB 4.43Å; L446-V450 HydrophobicContact CD2-CG1 4.07Å; E447-V450 HydrophobicContact CB-CG2 4.2Å; E447-V450 WeakPolarHBondContact O-CB 3.45Å; E447-V450 PolarHBondContact O-N 2.89Å; P448-V450 PolarHBondContact O-N 2.85Å; V450-A452 VanDerWaalsContact C-N 3.28Å; V450-A452 PolarHBondContact O-N 2.82Å; V450-R453 WeakPolarHBondContact O-CB 3.17Å; V450-R453 PolarHBondContact O-N 2.91Å; V450-R453 VanDerWaalsContact O-N 3.17Å
451	A	53.6	Low	44.1	Very low	27 Å²	27	116.5 Å²	116.5	22%	0.223	64%	0.635	C	S	.	*	H	α-helix	trans	-57.6	-40.4	175.2	0	0	0	0	0	112	E447 P448 R453 Y454	E447-A451 PolarHBondContact O-N 3.22Å; P448-A451 PolarHBondContact O-N 3.42Å; A451-R453 PolarHBondContact O-N 3.21Å; A451-Y454 PolarHBondContact O-N 3.11Å
452	A	53.8	Low	44	Very low	54 Å²	54	114 Å²	114	45%	0.446	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	7.8	177.3	0	0	0	0	0	115.9	P448 V450	P448-A452 WeakPolarHBondContact O-CB 3.09Å; P448-A452 PolarHBondContact O-N 3.31Å; V450-A452 VanDerWaalsContact C-N 3.28Å; V450-A452 PolarHBondContact O-N 2.82Å
453	R	47.6	Very low	43.1	Very low	200 Å²	200	116.5 Å²	116.5	76%	0.755	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-14.7	169.1	-62.8	-176.5	-179.2	164.3	2.6	113.9	V450 A451	V450-R453 WeakPolarHBondContact O-CB 3.17Å; V450-R453 PolarHBondContact O-N 2.91Å; V450-R453 VanDerWaalsContact O-N 3.17Å; A451-R453 PolarHBondContact O-N 3.21Å
454	Y	38.6	Very low	42.1	Very low	182 Å²	182	118 Å²	118	71%	0.714	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-8.2	-176.8	-69.1	-78.2	0	0	0	113.9	A451	A451-Y454 PolarHBondContact O-N 3.11Å
455	F	42.3	Very low	41.3	Very low	142 Å²	142	122.1 Å²	122.1	62%	0.623	67%	0.669	S	S	*	*	S	Bend	trans	-108.8	131.9	175.2	-63	-76.9	0	0	0	111	K457	F455-K457 PolarHBondContact O-N 2.87Å
456	P	33.8	Very low	40	Very low	129 Å²	129	125.4 Å²	125.4	84%	0.838	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.7	132.8	174.2	-21.2	33.1	0	0	0	111.4
457	K	31.3	Very low	38.7	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.796	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-79	124.2	177.8	-65	-173.8	177.3	-172.6	0	110.8	F455	F455-K457 PolarHBondContact O-N 2.87Å
458	S	32.8	Very low	37.6	Very low	113 Å²	113	132 Å²	132	79%	0.79	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-78.4	120.8	167.2	51	0	0	0	0	110.5	A460	S458-A460 PolarHBondContact O-N 2.81Å
459	E	30.8	Very low	36.6	Very low	200 Å²	200	135.4 Å²	135.4	94%	0.935	70%	0.704	S	S	*	*			trans	-79.7	99.2	172.5	-71.2	-166.6	146.3	0	0	111.1
460	A	33	Very low	35.5	Very low	88 Å²	88	138.8 Å²	138.8	73%	0.727	72%	0.717	S	S	*	*			trans	-152	98.6	165.4	0	0	0	0	0	110.1	S458	S458-A460 PolarHBondContact O-N 2.81Å
461	E	29.6	Very low	34.1	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	73%	0.731	S	S	*	*			trans	-157.1	155.3	164.8	-103.8	-71.4	105.5	0	0	108.6
462	P	41.6	Very low	32.9	Very low	97 Å²	97	149.3 Å²	149.3	63%	0.63	76%	0.764	S	S	*	*			trans	-118.6	-148.7	-164.6	34.7	-16.7	0	0	0	114.4
463	V	28.4	Very low	31.6	Very low	126 Å²	126	158 Å²	158	76%	0.764	79%	0.785	S	S	*	*			trans	80.8	143.5	164.2	-165.5	0	0	0	0	116
464	P	31.6	Very low	30.6	Very low	123 Å²	123	154.8 Å²	154.8	80%	0.799	79%	0.793	S	S	*	*			cis	-130.1	-165	-39.1	41.1	-23.6	0	0	0	113.8
465	K	33.6	Very low	30	Very low	201 Å²	201	149.8 Å²	149.8	87%	0.874	80%	0.798	S	S	*	*			trans	-99.8	152	179.6	-49.6	164.5	-178.7	172.1	0	113
466	H	24.2	Very low	29.5	Very low	157 Å²	157	148.3 Å²	148.3	73%	0.727	81%	0.805	S	S	*	*			trans	-167.4	93.6	137.4	-160.9	-82.3	0	0	0	117.8
467	W	24.3	Very low	29.1	Very low	217 Å²	217	151.5 Å²	151.5	82%	0.822	81%	0.809	S	S	*	*			trans	58.3	171.6	152.3	-62.9	72.3	0	0	0	119.3
468	V	25	Very low	29.1	Very low	122 Å²	122	148.1 Å²	148.1	74%	0.739	81%	0.808	S	S	*	*			cis	-132.5	151.5	8.2	179.9	0	0	0	0	110.9
469	E	29.6	Very low	29.4	Very low	177 Å²	177	148.8 Å²	148.8	83%	0.827	81%	0.809	S	S	*	*			trans	-112.2	124.7	173.7	-176.8	-173.6	167.1	0	0	113
470	T	25.5	Very low	29.3	Very low	138 Å²	138	148.1 Å²	148.1	85%	0.847	81%	0.806	S	S	*	*			trans	-171.3	138	154.1	-0.8	0	0	0	0	109.4
471	G	25.6	Very low	29.1	Very low	60 Å²	60	148.8 Å²	148.8	62%	0.619	81%	0.806	S	S	*	*			cis	136	109.2	-15.9	0	0	0	0	0	114.4
472	R	26.9	Very low	29.1	Very low	241 Å²	241	146.8 Å²	146.8	91%	0.909	81%	0.806	S	S	*	*			trans	-178.8	111.4	152.7	-103.3	158.2	-158.2	-94.4	1.6	116.4
473	R	27.6	Very low	28.4	Very low	237 Å²	237	145.3 Å²	145.3	89%	0.894	81%	0.808	S	S	*	*				36.2	137.1	129.7	-61	-172.6	175	-148.2	-1.7	123.6
474	S	27	Very low	28.5	Very low	132 Å²	132	145.4 Å²	145.4	92%	0.923	81%	0.814	S	S	*	*			trans	93.6	135.6	135.3	-154	0	0	0	0	119.4
475	G	25.2	Very low	28.3	Very low	78 Å²	78	144.3 Å²	144.3	80%	0.804	82%	0.816	S	S	*	*			trans	150.5	76.7	172	0	0	0	0	0	114.6
476	S	32.6	Very low	28	Very low	111 Å²	111	139.6 Å²	139.6	78%	0.776	81%	0.814	S	S	*	*			trans	-101.6	143.2	173.5	55.7	0	0	0	0	112
477	Q	25.8	Very low	28.4	Very low	196 Å²	196	136.8 Å²	136.8	92%	0.916	82%	0.818	S	S	*	*			trans	-151.6	153.5	143.8	-78.1	-150.7	-15.2	0	0	110.9
478	S	29.6	Very low	28.6	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	82%	0.82	S	S	*	*			trans	-133.8	166.2	170.8	-52.2	0	0	0	0	108.4
479	P	39.8	Very low	29	Very low	127 Å²	127	134 Å²	134	83%	0.825	83%	0.825	S	S	*	*				-139.8	157.9	128	33.1	-18.2	0	0	0	116.6
480	Q	29.3	Very low	29.1	Very low	187 Å²	187	128.3 Å²	128.3	87%	0.874	81%	0.813	S	S	*	*			trans	-51.8	171.5	157.2	-82.5	157.2	-49.4	0	0	113.8
481	S	27.4	Very low	29.3	Very low	102 Å²	102	127.8 Å²	127.8	71%	0.713	81%	0.81	S	S	*	*			cis	-171.4	-165.2	-6.1	172.5	0	0	0	0	108.1
482	V	30.8	Very low	29.7	Very low	143 Å²	143	132.7 Å²	132.7	87%	0.867	82%	0.817	S	S	*	*			trans	79.4	146.1	174.3	-35.2	0	0	0	0	117.5
483	G	25.8	Very low	29.9	Very low	65 Å²	65	126.4 Å²	126.4	67%	0.67	81%	0.809	S	S	*	*			cis	151.5	112.4	-15.5	0	0	0	0	0	116.5
484	S	30.5	Very low	30	Very low	128 Å²	128	123.1 Å²	123.1	90%	0.895	81%	0.808	S	S	*	*			trans	73.9	119.6	152.5	-57.9	0	0	0	0	122.2
485	A	27.5	Very low	30.5	Very low	101 Å²	101	122.2 Å²	122.2	84%	0.835	80%	0.802	S	S	*	*				97.1	139.9	123.1	0	0	0	0	0	123.6
486	A	27.5	Very low	30.6	Very low	101 Å²	101	125.4 Å²	125.4	84%	0.835	80%	0.801	S	S	*	*			trans	83.5	158	149.6	0	0	0	0	0	120.9
487	A	34.2	Very low	30.6	Very low	99 Å²	99	125.9 Å²	125.9	82%	0.818	80%	0.804	S	S	*	*			trans	62.6	116.7	-172	0	0	0	0	0	114.7
488	D	28.4	Very low	31	Very low	161 Å²	161	120.5 Å²	120.5	86%	0.861	79%	0.793	S	S	*	*			cis	90.8	159.6	26.2	-152.5	11.4	0	0	0	115
489	S	32.6	Very low	31.6	Very low	119 Å²	119	118.2 Å²	118.2	83%	0.832	78%	0.777	S	S	*	*			trans	-85.4	154.3	-157.5	-58.5	0	0	0	0	116.2
490	G	31.1	Very low	31.8	Very low	57 Å²	57	120.4 Å²	120.4	59%	0.588	78%	0.782	S	S	*	*			trans	157.2	135.6	175.8	0	0	0	0	0	107.5
491	T	30.8	Very low	32.8	Very low	128 Å²	128	114 Å²	114	79%	0.785	75%	0.753	S	S	*	*				54.4	124.7	54.4	81.5	0	0	0	0	111.5
492	E	32.8	Very low	34.2	Very low	162 Å²	162	113.5 Å²	113.5	76%	0.757	75%	0.748	S	S	*	*			cis	-162.4	169.9	4.1	51.8	-128	73.1	0	0	113.2
493	C	30.8	Very low	35.9	Very low	110 Å²	110	111.4 Å²	111.4	74%	0.743	73%	0.732	S	S	*	*			trans	59.2	118.9	147.5	-81	0	0	0	0	122.8
494	L	31.2	Very low	38.6	Very low	167 Å²	167	110.6 Å²	110.6	87%	0.874	71%	0.713	S	S	*	*			trans	90.3	137.6	143.7	-58.1	172.6	0	0	0	120.3
495	S	36.4	Very low	41.3	Very low	114 Å²	114	105.1 Å²	105.1	80%	0.797	68%	0.675	S	S	*	*			trans	-44.3	159.4	178.9	-45.5	0	0	0	0	115.6
496	D	28.5	Very low	44.3	Very low	145 Å²	145	102 Å²	102	78%	0.775	64%	0.644	S	S	*	*			cis	-156	141.1	37.7	-174.3	19.1	0	0	0	113.9
497	S	32	Very low	47.3	Very low	120 Å²	120	97.2 Å²	97.2	84%	0.839	60%	0.604	S	S	*	*			trans	-170.2	127.5	168.7	-82.3	0	0	0	0	110.6
498	A	34.3	Very low	49.8	Very low	84 Å²	84	94.8 Å²	94.8	69%	0.694	58%	0.577	S	S	*	*			trans	-83.3	126.3	-165	0	0	0	0	0	115.3
499	S	41.9	Very low	52.3	Low	63 Å²	63	87.5 Å²	87.5	44%	0.441	54%	0.539	S	S	.	.			trans	60.6	101.9	157.9	60.2	0	0	0	0	119.5	K520	S499-K520 PolarHBondContact OG-NZ 2.95Å
500	D	43.3	Very low	54.1	Low	173 Å²	173	83.6 Å²	83.6	93%	0.925	52%	0.517	S	S	*	.				-97.9	120	128.8	-86.2	-48	0	0	0	108.8
501	L	51.4	Low	55.6	Low	51 Å²	51	83.1 Å²	83.1	27%	0.267	51%	0.512	S	S	.	.			trans	-108.4	148.2	163.5	-76.9	173	0	0	0	107.4	M524 M527	L501-M524 HydrophobicContact CD1-CG 4.48Å; L501-M527 HydrophobicContact CD1-CE 4.03Å; L501-M527 HydrophobicContact CD2-CE 3.8Å
502	P	57.4	Low	56.5	Low	93 Å²	93	80.9 Å²	80.9	60%	0.604	50%	0.498	S	S	*	.			trans	-60.2	149	177.6	22.7	-29.2	0	0	0	111.2	V504 T505	P502-V504 CarbonylContact O-C 3.59Å; P502-V504 PolarHBondContact O-N 3.12Å; P502-T505 HydrophobicContact CG-CG2 3.74Å
503	D	64.6	Low	57.1	Low	99 Å²	99	75.7 Å²	75.7	53%	0.529	49%	0.488	S	S	.	.	S	Bend	trans	-58.2	-16.5	-166.6	-160.2	33.7	0	0	0	114.2	I549 G550 M566	D503-I549 WeakPolarHBondContact O-CA 3.47Å; D503-G550 PolarHBondContact O-N 3.03Å; D503-M566 VanDerWaalsContact OD2-CE 3.28Å; D503-M566 WeakPolarHBondContact OD2-CE 3.22Å
504	V	83.9	Confident	57.9	Low	47 Å²	47	78.7 Å²	78.7	29%	0.285	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.8	167.3	-176.6	0	0	0	0	109.5	P502 V547 R548 I549 I563 M566	P502-V504 CarbonylContact O-C 3.59Å; P502-V504 PolarHBondContact O-N 3.12Å; V504-V547 HydrophobicContact CG1-CG1 3.83Å; V504-R548 WeakPolarHBondContact CA-O 3.2Å; V504-I549 HydrophobicContact CG2-CG1 4.41Å; V504-I549 HydrophobicContact CG2-CG2 4.39Å; V504-I563 HydrophobicContact CG1-CD1 3.71Å; V504-I563 HydrophobicContact CG1-CG1 4.06Å; V504-I563 HydrophobicContact CG2-CG1 4.16Å; V504-M566 HydrophobicContact CG2-CE 4.24Å; V504-M566 HydrophobicContact CG2-SD 4.48Å
505	T	87.3	Confident	58.8	Low	13 Å²	13	76 Å²	76	8%	0.08	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.7	174.6	35.1	0	0	0	0	111.8	P502 F523 V547 R548	P502-T505 HydrophobicContact CG-CG2 3.74Å; T505-F523 WeakPolarHBondContact OG1-CE1 3.38Å; T505-V547 WeakPolarHBondContact O-CA 3.44Å; T505-V547 WeakPolarHBondContact O-CG1 3.29Å; T505-R548 PolarHBondContact N-O 3.06Å; T505-R548 PolarHBondContact O-N 2.97Å; T505-R548 WeakPolarHBondContact OG1-CB 3.43Å
506	L	90	Very high	59.3	Low	37 Å²	37	73.5 Å²	73.5	19%	0.194	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.1	-175.6	-58.2	178.2	0	0	0	111.1	M527 I528 F533 L545 V547	L506-M527 WeakPolarHBondContact O-CA 3.46Å; L506-M527 WeakPolarHBondContact O-CG 3.35Å; L506-I528 HydrophobicContact CB-CB 4.07Å; L506-I528 HydrophobicContact CB-CD1 3.8Å; L506-I528 HydrophobicContact CB-CG1 4.5Å; L506-I528 PolarHBondContact O-N 3.45Å; L506-F533 HydrophobicContact CD1-CD2 4.05Å; L506-F533 HydrophobicContact CD1-CE2 4.1Å; L506-L545 HydrophobicContact CB-CD1 4.29Å; L506-L545 HydrophobicContact CD2-CD1 4.39Å; L506-V547 HydrophobicContact CD2-CB 4.23Å; L506-V547 HydrophobicContact CD2-CG1 3.96Å; L506-V547 HydrophobicContact CD2-CG2 3.63Å
507	S	90.6	Very high	60.9	Low	0 Å²	0	73.5 Å²	73.5	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.3	177.4	-176.9	0	0	0	0	112.3	C509 F523 H526 V546	S507-C509 VanDerWaalsContact C-N 3.34Å; S507-F523 VanDerWaalsContact CB-O 3.3Å; S507-F523 WeakPolarHBondContact CB-O 3.36Å; S507-F523 PolarHBondContact OG-O 3.25Å; S507-H526 CarbonylContact C-O 3.58Å; S507-H526 VanDerWaalsContact CA-O 3.26Å; S507-H526 WeakPolarHBondContact CA-O 3.45Å; S507-H526 VanDerWaalsContact OG-C 3.24Å; S507-H526 PolarHBondContact OG-O 2.93Å; S507-H526 VanDerWaalsContact OG-O 3.07Å; S507-V546 PolarHBondContact N-O 3.47Å; S507-V546 PolarHBondContact O-N 3.38Å
508	L	86.3	Confident	62.8	Low	48 Å²	48	70.4 Å²	70.4	25%	0.251	43%	0.429	S	S	.	.	S	Bend	trans	-91.3	17.3	176.7	-70	-178.1	0	0	0	114.4	G510 H526 I528 I539 N542 N544 L545	L508-G510 PolarHBondContact O-N 3.42Å; L508-G510 VanDerWaalsContact O-N 3.15Å; L508-H526 PolarHBondContact N-O 2.94Å; L508-I528 HydrophobicContact CD2-CD1 4.03Å; L508-I528 HydrophobicContact CG-CD1 3.88Å; L508-I528 HydrophobicContact CG-CG1 4.01Å; L508-I539 HydrophobicContact CD2-CG2 4.2Å; L508-N542 HydrophobicContact CD2-CB 3.93Å; L508-N542 WeakPolarHBondContact CD2-ND2 3.47Å; L508-N544 CarbonylContact C-O 3.5Å; L508-N544 VanDerWaalsContact C-O 3.28Å; L508-N544 WeakPolarHBondContact CA-O 3.4Å; L508-N544 WeakPolarHBondContact O-CB 3.39Å; L508-L545 HydrophobicContact CD2-CB 4.35Å; L508-L545 HydrophobicContact CD2-CD1 4.43Å
509	C	80.6	Confident	64.8	Low	8 Å²	8	68.3 Å²	68.3	5%	0.054	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-72.5	0.5	-175.9	69.5	0	0	0	0	115.8	S507 G511 K522 H526	S507-C509 VanDerWaalsContact C-N 3.34Å; C509-G511 VanDerWaalsContact C-N 3.31Å; C509-G511 PolarHBondContact O-N 2.83Å; C509-K522 WeakPolarHBondContact CB-O 3.47Å; C509-H526 HydrophobicContact CB-CB 4.19Å
510	G	71.9	Confident	66.5	Low	37 Å²	37	68.3 Å²	68.3	38%	0.381	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-76.4	-6.6	-171.3	0	0	0	0	0	116.4	L508 N544	L508-G510 PolarHBondContact O-N 3.42Å; L508-G510 VanDerWaalsContact O-N 3.15Å; G510-N544 VanDerWaalsContact CA-O 3.25Å; G510-N544 WeakPolarHBondContact CA-O 3.35Å; G510-N544 PolarHBondContact N-O 3.19Å
511	G	62.2	Low	68.1	Low	47 Å²	47	66 Å²	66	49%	0.485	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-90.6	-1	-178.9	0	0	0	0	0	115.4	C509 N544	C509-G511 VanDerWaalsContact C-N 3.31Å; C509-G511 PolarHBondContact O-N 2.83Å; G511-N544 VanDerWaalsContact CA-OD1 3.26Å; G511-N544 WeakPolarHBondContact CA-OD1 3.47Å
512	V	48.3	Very low	69.3	Low	80 Å²	80	67.4 Å²	67.4	49%	0.485	39%	0.389	S	S	.	.			trans	-76.4	136.2	-174.5	-175.5	0	0	0	0	110.9
513	G	47.2	Very low	70.6	Confident	53 Å²	53	63 Å²	63	55%	0.546	36%	0.36	S	S	.	.			trans	-62.3	156.4	-172.2	0	0	0	0	0	116
514	E	46.6	Very low	71.5	Confident	173 Å²	173	62.9 Å²	62.9	81%	0.808	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	97.4	161.9	-55.8	-150.5	135.4	0	0	118.7	S516	E514-S516 PolarHBondContact O-N 2.94Å
515	N	49.2	Very low	71.4	Confident	110 Å²	110	67.4 Å²	67.4	59%	0.588	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-5.6	152.3	-65.2	-63.9	0	0	0	119.1	E517 K589	N515-E517 PolarHBondContact O-N 2.84Å; N515-K589 WeakPolarHBondContact OD1-CD 3.31Å; N515-K589 WeakPolarHBondContact OD1-CE 2.94Å; N515-K589 PolarHBondContact OD1-NZ 3.44Å
516	S	48.5	Very low	71.2	Confident	63 Å²	63	70.9 Å²	70.9	44%	0.441	39%	0.391	S	S	.	.			trans	-66.1	132	175.5	59.7	0	0	0	0	110.9	E514	E514-S516 PolarHBondContact O-N 2.94Å
517	E	61.4	Low	71.1	Confident	145 Å²	145	72 Å²	72	68%	0.678	40%	0.396	S	S	*	.			trans	-70.2	140.3	168.3	-58.9	-158.4	129.7	0	0	108.5	N515 S519 K588	N515-E517 PolarHBondContact O-N 2.84Å; E517-S519 PolarHBondContact O-N 3.43Å; E517-K588 IonicContact OE1-NZ 2.84Å; E517-K588 PolarHBondContact OE1-NZ 3.09Å
518	I	72.3	Confident	70.9	Confident	55 Å²	55	73 Å²	73	28%	0.282	40%	0.401	S	S	.	.			trans	-64.6	106.6	-172.2	-66.3	156.4	0	0	0	108.8	F523 V546 Y553	I518-F523 HydrophobicContact CG2-CB 4.12Å; I518-F523 HydrophobicContact CG2-CD2 4.41Å; I518-V546 HydrophobicContact CD1-CG1 3.91Å; I518-V546 HydrophobicContact CD1-CG2 3.81Å; I518-Y553 HydrophobicContact CB-CD2 4.02Å; I518-Y553 HydrophobicContact CB-CE2 4.4Å; I518-Y553 HydrophobicContact CB-CG 4.17Å; I518-Y553 HydrophobicContact CG2-CD1 4.08Å; I518-Y553 HydrophobicContact CG2-CD2 4.18Å; I518-Y553 HydrophobicContact CG2-CE1 4.2Å; I518-Y553 HydrophobicContact CG2-CE2 4.29Å; I518-Y553 HydrophobicContact CG2-CG 4.08Å; I518-Y553 WeakPolarHBondContact O-CE2 3.19Å
519	S	76.3	Confident	70.9	Confident	39 Å²	39	74.2 Å²	74.2	27%	0.273	41%	0.411	S	S	.	.			trans	-72.1	151.1	179.6	101.5	0	0	0	0	110.1	E517 E521 K522 F523	E517-S519 PolarHBondContact O-N 3.43Å; S519-E521 WeakPolarHBondContact CB-OE2 3.38Å; S519-E521 PolarHBondContact O-N 3.28Å; S519-E521 PolarHBondContact OG-N 3.34Å; S519-E521 PolarHBondContact OG-OE2 3.27Å; S519-K522 PolarHBondContact O-N 3.03Å; S519-K522 PolarHBondContact OG-N 2.68Å; S519-F523 WeakPolarHBondContact O-CB 3.32Å; S519-F523 PolarHBondContact O-N 2.66Å
520	K	77.3	Confident	70.9	Confident	64 Å²	64	83.3 Å²	83.3	28%	0.278	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-32.3	-178.5	178	-173.3	178.2	-171.9	0	111.1	S499 M524 Y553	S499-K520 PolarHBondContact OG-NZ 2.95Å; K520-M524 HydrophobicContact CG-SD 4.13Å; K520-M524 WeakPolarHBondContact O-CB 3.5Å; K520-M524 VanDerWaalsContact O-CG 3.27Å; K520-M524 WeakPolarHBondContact O-CG 3.42Å; K520-M524 PolarHBondContact O-N 3.46Å; K520-Y553 WeakPolarHBondContact CA-OH 3.36Å
521	E	77.4	Confident	71.3	Confident	123 Å²	123	85.8 Å²	85.8	58%	0.575	45%	0.45	S	S	*	.	H	α-helix	trans	-70.3	-53.7	-178.2	-52.2	66.7	-138.7	0	0	110	S519 F523 M524 E525	S519-E521 WeakPolarHBondContact CB-OE2 3.38Å; S519-E521 PolarHBondContact O-N 3.28Å; S519-E521 PolarHBondContact OG-N 3.34Å; S519-E521 PolarHBondContact OG-OE2 3.27Å; E521-F523 VanDerWaalsContact C-N 3.26Å; E521-F523 PolarHBondContact O-N 3.07Å; E521-M524 PolarHBondContact O-N 2.91Å; E521-M524 VanDerWaalsContact O-N 3.1Å; E521-E525 WeakPolarHBondContact O-CB 3.37Å; E521-E525 PolarHBondContact O-N 3.47Å
522	K	76.7	Confident	72.3	Confident	81 Å²	81	86.7 Å²	86.7	35%	0.352	44%	0.444	S	S	.	.	H	α-helix	trans	-59.8	-35.7	174.4	-70.7	-173.3	177.9	-176.6	0	112.8	C509 S519 H526	C509-K522 WeakPolarHBondContact CB-O 3.47Å; S519-K522 PolarHBondContact O-N 3.03Å; S519-K522 PolarHBondContact OG-N 2.68Å; K522-H526 PolarHBondContact O-N 3.27Å
523	F	84.3	Confident	73.7	Confident	0 Å²	0	86 Å²	86	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-66.6	-40.9	175.5	-178.5	-89.4	0	0	0	111.8	T505 S507 I518 S519 E521 M527 V546 R548 Y553	T505-F523 WeakPolarHBondContact OG1-CE1 3.38Å; S507-F523 VanDerWaalsContact CB-O 3.3Å; S507-F523 WeakPolarHBondContact CB-O 3.36Å; S507-F523 PolarHBondContact OG-O 3.25Å; I518-F523 HydrophobicContact CG2-CB 4.12Å; I518-F523 HydrophobicContact CG2-CD2 4.41Å; S519-F523 WeakPolarHBondContact O-CB 3.32Å; S519-F523 PolarHBondContact O-N 2.66Å; E521-F523 VanDerWaalsContact C-N 3.26Å; E521-F523 PolarHBondContact O-N 3.07Å; F523-M527 HydrophobicContact CD1-CE 4.34Å; F523-M527 HydrophobicContact CE1-CE 4.1Å; F523-M527 PolarHBondContact O-N 2.86Å; F523-V546 HydrophobicContact CD2-CB 4.5Å; F523-V546 HydrophobicContact CD2-CG1 4Å; F523-V546 HydrophobicContact CE2-CB 4.38Å; F523-V546 HydrophobicContact CE2-CG1 3.92Å; F523-R548 HydrophobicContact CE1-CB 3.84Å; F523-R548 HydrophobicContact CE2-CB 3.72Å; F523-R548 HydrophobicContact CZ-CB 3.34Å; F523-R548 HydrophobicContact CZ-CG 4.5Å; F523-Y553 HydrophobicContact CB-CE1 3.97Å; F523-Y553 HydrophobicContact CD1-CE1 4.12Å; F523-Y553 AromaticContact CD2-CD1 3.7Å; F523-Y553 HydrophobicContact CD2-CD1 3.7Å; F523-Y553 AromaticContact CD2-CE1 3.47Å; F523-Y553 HydrophobicContact CD2-CE1 3.47Å; F523-Y553 VanDerWaalsContact CD2-CE1 3.47Å; F523-Y553 AromaticContact CE2-CD1 3.97Å; F523-Y553 HydrophobicContact CE2-CD1 3.97Å; F523-Y553 AromaticContact CE2-CE1 3.97Å; F523-Y553 HydrophobicContact CE2-CE1 3.97Å; F523-Y553 HydrophobicContact CG-CD1 4.27Å; F523-Y553 AromaticContact CG-CE1 3.56Å; F523-Y553 HydrophobicContact CG-CE1 3.56Å; F523-Y553 HydrophobicContact CZ-CE1 4.49Å
524	M	82.8	Confident	74.9	Confident	97 Å²	97	86.2 Å²	86.2	48%	0.478	43%	0.43	S	S	.	.	H	α-helix	trans	-70.6	-39.4	177.1	-76.1	175.3	60	0	0	113	L501 K520 E521 H526 M527	L501-M524 HydrophobicContact CD1-CG 4.48Å; K520-M524 HydrophobicContact CG-SD 4.13Å; K520-M524 WeakPolarHBondContact O-CB 3.5Å; K520-M524 VanDerWaalsContact O-CG 3.27Å; K520-M524 WeakPolarHBondContact O-CG 3.42Å; K520-M524 PolarHBondContact O-N 3.46Å; E521-M524 PolarHBondContact O-N 2.91Å; E521-M524 VanDerWaalsContact O-N 3.1Å; M524-H526 VanDerWaalsContact C-N 3.28Å; M524-H526 PolarHBondContact O-N 2.81Å; M524-M527 HydrophobicContact CG-CE 3.92Å; M524-M527 WeakPolarHBondContact O-CB 3.47Å; M524-M527 PolarHBondContact O-N 2.78Å
525	E	81.4	Confident	76.6	Confident	142 Å²	142	85 Å²	85	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-56.5	-39.6	177.1	-179.2	-173.6	-138.6	0	0	112.8	E521	E521-E525 WeakPolarHBondContact O-CB 3.37Å; E521-E525 PolarHBondContact O-N 3.47Å
526	H	84.1	Confident	78	Confident	87 Å²	87	83.7 Å²	83.7	40%	0.403	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	21.9	-178.5	-67.4	76.8	0	0	0	113	S507 L508 C509 K522 M524 I528	S507-H526 CarbonylContact C-O 3.58Å; S507-H526 VanDerWaalsContact CA-O 3.26Å; S507-H526 WeakPolarHBondContact CA-O 3.45Å; S507-H526 VanDerWaalsContact OG-C 3.24Å; S507-H526 PolarHBondContact OG-O 2.93Å; S507-H526 VanDerWaalsContact OG-O 3.07Å; L508-H526 PolarHBondContact N-O 2.94Å; C509-H526 HydrophobicContact CB-CB 4.19Å; K522-H526 PolarHBondContact O-N 3.27Å; M524-H526 VanDerWaalsContact C-N 3.28Å; M524-H526 PolarHBondContact O-N 2.81Å; H526-I528 PolarHBondContact O-N 3.46Å
527	M	88.5	Confident	79.5	Confident	60 Å²	60	84.4 Å²	84.4	30%	0.296	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-66.1	129.8	-176.6	-168.8	-177.7	-68.3	0	0	111.4	L501 L506 F523 M524	L501-M527 HydrophobicContact CD1-CE 4.03Å; L501-M527 HydrophobicContact CD2-CE 3.8Å; L506-M527 WeakPolarHBondContact O-CA 3.46Å; L506-M527 WeakPolarHBondContact O-CG 3.35Å; F523-M527 HydrophobicContact CD1-CE 4.34Å; F523-M527 HydrophobicContact CE1-CE 4.1Å; F523-M527 PolarHBondContact O-N 2.86Å; M524-M527 HydrophobicContact CG-CE 3.92Å; M524-M527 WeakPolarHBondContact O-CB 3.47Å; M524-M527 PolarHBondContact O-N 2.78Å
528	I	86.6	Confident	80.4	Confident	20 Å²	20	80.3 Å²	80.3	10%	0.103	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-82.1	121.2	177.4	-62.3	152.1	0	0	0	108.3	L506 L508 H526 D532 F533 I539 L545	L506-I528 HydrophobicContact CB-CB 4.07Å; L506-I528 HydrophobicContact CB-CD1 3.8Å; L506-I528 HydrophobicContact CB-CG1 4.5Å; L506-I528 PolarHBondContact O-N 3.45Å; L508-I528 HydrophobicContact CD2-CD1 4.03Å; L508-I528 HydrophobicContact CG-CD1 3.88Å; L508-I528 HydrophobicContact CG-CG1 4.01Å; H526-I528 PolarHBondContact O-N 3.46Å; I528-D532 HydrophobicContact CG2-CB 4.28Å; I528-F533 HydrophobicContact CG2-CB 3.96Å; I528-F533 HydrophobicContact CG2-CD2 4.35Å; I528-I539 HydrophobicContact CD1-CG2 3.45Å; I528-I539 VanDerWaalsContact CD1-CG2 3.45Å; I528-I539 HydrophobicContact CG1-CG2 4.14Å; I528-I539 HydrophobicContact CG2-CD1 4.49Å; I528-I539 HydrophobicContact CG2-CG2 4.45Å; I528-L545 HydrophobicContact CD1-CD1 3.51Å
529	T	86.1	Confident	80.8	Confident	74 Å²	74	78.5 Å²	78.5	45%	0.454	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-80.1	168	173.3	77.7	0	0	0	0	111.2	N531 D532 F533	T529-N531 PolarHBondContact O-N 2.95Å; T529-N531 PolarHBondContact OG1-N 2.97Å; T529-D532 WeakPolarHBondContact CA-OD2 3.47Å; T529-D532 VanDerWaalsContact CB-OD2 3.22Å; T529-D532 WeakPolarHBondContact CB-OD2 3.39Å; T529-D532 WeakPolarHBondContact CG2-OD2 3.35Å; T529-D532 PolarHBondContact N-OD2 2.76Å; T529-D532 PolarHBondContact OG1-N 2.93Å; T529-D532 PolarHBondContact OG1-OD1 2.95Å; T529-D532 PolarHBondContact OG1-OD2 3.25Å; T529-F533 PolarHBondContact O-N 3.15Å
530	Y	78.9	Confident	81.1	Confident	200 Å²	200	79.2 Å²	79.2	78%	0.784	40%	0.403	S	S	*	.	H	α-helix	trans	-58.4	-34.8	173.1	176.1	-98.9	0	0	0	112.5	A534	Y530-A534 HydrophobicContact CE1-CB 4.46Å; Y530-A534 VanDerWaalsContact O-CB 3.29Å; Y530-A534 WeakPolarHBondContact O-CB 3.44Å; Y530-A534 PolarHBondContact O-N 2.61Å
531	N	81.6	Confident	81.2	Confident	88 Å²	88	82.4 Å²	82.4	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-70.7	-48.5	-177.4	-164.4	78.2	0	0	0	111.2	T529 F533 A534 E535	T529-N531 PolarHBondContact O-N 2.95Å; T529-N531 PolarHBondContact OG1-N 2.97Å; N531-F533 PolarHBondContact O-N 2.97Å; N531-A534 PolarHBondContact O-N 3.19Å; N531-E535 VanDerWaalsContact ND2-CD 3.34Å; N531-E535 PolarHBondContact ND2-OE1 3.25Å; N531-E535 PolarHBondContact O-N 3.21Å
532	D	82.1	Confident	81.4	Confident	67 Å²	67	79.1 Å²	79.1	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-58.3	-38.3	177.8	-40.1	-49.7	0	0	0	111.5	I528 T529 N536	I528-D532 HydrophobicContact CG2-CB 4.28Å; T529-D532 WeakPolarHBondContact CA-OD2 3.47Å; T529-D532 VanDerWaalsContact CB-OD2 3.22Å; T529-D532 WeakPolarHBondContact CB-OD2 3.39Å; T529-D532 WeakPolarHBondContact CG2-OD2 3.35Å; T529-D532 PolarHBondContact N-OD2 2.76Å; T529-D532 PolarHBondContact OG1-N 2.93Å; T529-D532 PolarHBondContact OG1-OD1 2.95Å; T529-D532 PolarHBondContact OG1-OD2 3.25Å; D532-N536 PolarHBondContact O-N 2.82Å
533	F	78.5	Confident	81.4	Confident	65 Å²	65	81 Å²	81	29%	0.285	43%	0.43	S	S	.	.	H	α-helix	trans	-71.8	-35.3	176.8	-167.9	-90.2	0	0	0	113.3	L506 I528 T529 N531 N536 P537 I540	L506-F533 HydrophobicContact CD1-CD2 4.05Å; L506-F533 HydrophobicContact CD1-CE2 4.1Å; I528-F533 HydrophobicContact CG2-CB 3.96Å; I528-F533 HydrophobicContact CG2-CD2 4.35Å; T529-F533 PolarHBondContact O-N 3.15Å; N531-F533 PolarHBondContact O-N 2.97Å; F533-N536 CarbonylContact O-C 3.42Å; F533-P537 WeakPolarHBondContact O-CA 3.48Å; F533-I540 HydrophobicContact CE2-CG2 3.55Å; F533-I540 HydrophobicContact CZ-CG2 3.7Å
534	A	73.4	Confident	81.3	Confident	57 Å²	57	83.9 Å²	83.9	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-72.4	-37	177.2	0	0	0	0	0	112.1	Y530 N531	Y530-A534 HydrophobicContact CE1-CB 4.46Å; Y530-A534 VanDerWaalsContact O-CB 3.29Å; Y530-A534 WeakPolarHBondContact O-CB 3.44Å; Y530-A534 PolarHBondContact O-N 2.61Å; N531-A534 PolarHBondContact O-N 3.19Å
535	E	81.8	Confident	81.5	Confident	148 Å²	148	79.6 Å²	79.6	69%	0.692	42%	0.424	S	S	*	.	H	α-helix	trans	-72.8	-37.8	174.8	-70.4	-179.5	-170.9	0	0	112.2	N531	N531-E535 VanDerWaalsContact ND2-CD 3.34Å; N531-E535 PolarHBondContact ND2-OE1 3.25Å; N531-E535 PolarHBondContact O-N 3.21Å
536	N	77.5	Confident	81.8	Confident	83 Å²	83	73.2 Å²	73.2	44%	0.444	40%	0.395	S	S	.	.			trans	-132.8	80.6	179.5	-172.4	3.5	0	0	0	113.3	D532 F533 A538 I539	D532-N536 PolarHBondContact O-N 2.82Å; F533-N536 CarbonylContact O-C 3.42Å; N536-A538 PolarHBondContact O-N 3.42Å; N536-A538 VanDerWaalsContact O-N 3.11Å; N536-A538 WeakPolarHBondContact OD1-CB 3.33Å; N536-A538 PolarHBondContact OD1-N 2.9Å; N536-I539 HydrophobicContact CB-CD1 4.02Å; N536-I539 HydrophobicContact CB-CG1 4.18Å; N536-I539 WeakPolarHBondContact O-CB 3.4Å; N536-I539 WeakPolarHBondContact O-CD1 3.36Å; N536-I539 WeakPolarHBondContact O-CG1 3.43Å; N536-I539 PolarHBondContact O-N 3.07Å; N536-I539 VanDerWaalsContact O-N 3.14Å
537	P	81.1	Confident	82.1	Confident	78 Å²	78	69.1 Å²	69.1	51%	0.506	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-65.5	-14.3	177.4	25.9	-35	0	0	0	113.9	F533 I539 I540	F533-P537 WeakPolarHBondContact O-CA 3.48Å; P537-I539 PolarHBondContact O-N 3.24Å; P537-I540 WeakPolarHBondContact O-CG1 3.49Å; P537-I540 PolarHBondContact O-N 3.3Å
538	A	79.2	Confident	82	Confident	58 Å²	58	67.3 Å²	67.3	48%	0.479	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-72.1	-3.5	174.8	0	0	0	0	0	113.3	N536 I540 D541	N536-A538 PolarHBondContact O-N 3.42Å; N536-A538 VanDerWaalsContact O-N 3.11Å; N536-A538 WeakPolarHBondContact OD1-CB 3.33Å; N536-A538 PolarHBondContact OD1-N 2.9Å; A538-I540 PolarHBondContact O-N 3.12Å; A538-I540 VanDerWaalsContact O-N 3.12Å; A538-D541 PolarHBondContact O-N 2.9Å
539	I	81.9	Confident	81.9	Confident	18 Å²	18	67 Å²	67	9%	0.092	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-53	-26.3	167.1	-74.7	170.5	0	0	0	112	L508 I528 N536 P537 D541 N542	L508-I539 HydrophobicContact CD2-CG2 4.2Å; I528-I539 HydrophobicContact CD1-CG2 3.45Å; I528-I539 VanDerWaalsContact CD1-CG2 3.45Å; I528-I539 HydrophobicContact CG1-CG2 4.14Å; I528-I539 HydrophobicContact CG2-CD1 4.49Å; I528-I539 HydrophobicContact CG2-CG2 4.45Å; N536-I539 HydrophobicContact CB-CD1 4.02Å; N536-I539 HydrophobicContact CB-CG1 4.18Å; N536-I539 WeakPolarHBondContact O-CB 3.4Å; N536-I539 WeakPolarHBondContact O-CD1 3.36Å; N536-I539 WeakPolarHBondContact O-CG1 3.43Å; N536-I539 PolarHBondContact O-N 3.07Å; N536-I539 VanDerWaalsContact O-N 3.14Å; P537-I539 PolarHBondContact O-N 3.24Å; I539-D541 VanDerWaalsContact C-N 3.25Å; I539-D541 PolarHBondContact O-N 2.94Å; I539-N542 VanDerWaalsContact O-CB 3.23Å; I539-N542 WeakPolarHBondContact O-CB 3.31Å; I539-N542 PolarHBondContact O-N 2.76Å
540	I	81.9	Confident	81.6	Confident	53 Å²	53	64.8 Å²	64.8	27%	0.272	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-62.6	-26.7	175.2	67.9	-176	0	0	0	114.6	F533 P537 A538 W556	F533-I540 HydrophobicContact CE2-CG2 3.55Å; F533-I540 HydrophobicContact CZ-CG2 3.7Å; P537-I540 WeakPolarHBondContact O-CG1 3.49Å; P537-I540 PolarHBondContact O-N 3.3Å; A538-I540 PolarHBondContact O-N 3.12Å; A538-I540 VanDerWaalsContact O-N 3.12Å; I540-W556 HydrophobicContact CB-CZ2 4.25Å; I540-W556 HydrophobicContact CG2-CH2 4.49Å; I540-W556 HydrophobicContact CG2-CZ2 4.04Å; I540-W556 VanDerWaalsContact O-CD1 3.32Å
541	D	79.9	Confident	81.5	Confident	132 Å²	132	61.9 Å²	61.9	71%	0.706	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-92.4	0.6	-179.8	-67.3	-47.9	0	0	0	112.3	A538 I539	A538-D541 PolarHBondContact O-N 2.9Å; I539-D541 VanDerWaalsContact C-N 3.25Å; I539-D541 PolarHBondContact O-N 2.94Å
542	N	80.6	Confident	81.5	Confident	53 Å²	53	62.8 Å²	62.8	28%	0.283	35%	0.351	S	S	.	.			trans	-69.4	123.6	177.7	-169.9	-35.2	0	0	0	110.1	L508 I539 N544 L545	L508-N542 HydrophobicContact CD2-CB 3.93Å; L508-N542 WeakPolarHBondContact CD2-ND2 3.47Å; I539-N542 VanDerWaalsContact O-CB 3.23Å; I539-N542 WeakPolarHBondContact O-CB 3.31Å; I539-N542 PolarHBondContact O-N 2.76Å; N542-N544 PolarHBondContact O-N 3.03Å; N542-N544 WeakPolarHBondContact OD1-CB 3.36Å; N542-N544 PolarHBondContact OD1-N 3.43Å; N542-L545 WeakPolarHBondContact O-CB 3.38Å; N542-L545 PolarHBondContact O-N 3.48Å
543	P	78.2	Confident	81.6	Confident	120 Å²	120	62.3 Å²	62.3	78%	0.779	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.3	-179.8	26.8	-36.3	0	0	0	113.7
544	N	80.9	Confident	81.9	Confident	61 Å²	61	59.8 Å²	59.8	33%	0.326	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.6	178.6	-56.7	-8	0	0	0	113	L508 G510 G511 N542 V546	L508-N544 CarbonylContact C-O 3.5Å; L508-N544 VanDerWaalsContact C-O 3.28Å; L508-N544 WeakPolarHBondContact CA-O 3.4Å; L508-N544 WeakPolarHBondContact O-CB 3.39Å; G510-N544 VanDerWaalsContact CA-O 3.25Å; G510-N544 WeakPolarHBondContact CA-O 3.35Å; G510-N544 PolarHBondContact N-O 3.19Å; G511-N544 VanDerWaalsContact CA-OD1 3.26Å; G511-N544 WeakPolarHBondContact CA-OD1 3.47Å; N542-N544 PolarHBondContact O-N 3.03Å; N542-N544 WeakPolarHBondContact OD1-CB 3.36Å; N542-N544 PolarHBondContact OD1-N 3.43Å; N544-V546 PolarHBondContact O-N 2.89Å
545	L	87.4	Confident	82.4	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.042	32%	0.322	C	S	.	.			trans	-70.2	114.5	-179.3	179.5	58.9	0	0	0	112.1	L506 L508 I528 N542 W556	L506-L545 HydrophobicContact CB-CD1 4.29Å; L506-L545 HydrophobicContact CD2-CD1 4.39Å; L508-L545 HydrophobicContact CD2-CB 4.35Å; L508-L545 HydrophobicContact CD2-CD1 4.43Å; I528-L545 HydrophobicContact CD1-CD1 3.51Å; N542-L545 WeakPolarHBondContact O-CB 3.38Å; N542-L545 PolarHBondContact O-N 3.48Å; L545-W556 HydrophobicContact CD2-CB 4.14Å; L545-W556 HydrophobicContact CD2-CD2 4.19Å; L545-W556 HydrophobicContact CD2-CE3 4.2Å; L545-W556 HydrophobicContact CD2-CG 4.17Å
546	V	87.9	Confident	82.6	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135	170.3	178.1	0	0	0	0	109.1	S507 I518 F523 N544 Y553	S507-V546 PolarHBondContact N-O 3.47Å; S507-V546 PolarHBondContact O-N 3.38Å; I518-V546 HydrophobicContact CD1-CG1 3.91Å; I518-V546 HydrophobicContact CD1-CG2 3.81Å; F523-V546 HydrophobicContact CD2-CB 4.5Å; F523-V546 HydrophobicContact CD2-CG1 4Å; F523-V546 HydrophobicContact CE2-CB 4.38Å; F523-V546 HydrophobicContact CE2-CG1 3.92Å; N544-V546 PolarHBondContact O-N 2.89Å; V546-Y553 HydrophobicContact CG1-CD1 3.96Å; V546-Y553 HydrophobicContact CG1-CG 4.34Å
547	V	89.4	Confident	82.7	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	169.1	-171.6	0	0	0	0	109.1	V504 T505 L506 I549 Y553 Y554 W556 A559 I563	V504-V547 HydrophobicContact CG1-CG1 3.83Å; T505-V547 WeakPolarHBondContact O-CA 3.44Å; T505-V547 WeakPolarHBondContact O-CG1 3.29Å; L506-V547 HydrophobicContact CD2-CB 4.23Å; L506-V547 HydrophobicContact CD2-CG1 3.96Å; L506-V547 HydrophobicContact CD2-CG2 3.63Å; V547-I549 HydrophobicContact CG1-CG1 4.03Å; V547-Y553 CarbonylContact O-C 3.41Å; V547-Y553 WeakPolarHBondContact O-CA 3.48Å; V547-Y554 PolarHBondContact N-O 2.8Å; V547-Y554 PolarHBondContact O-N 2.93Å; V547-W556 HydrophobicContact CG2-CE3 3.86Å; V547-W556 HydrophobicContact CG2-CZ3 4.43Å; V547-A559 HydrophobicContact CB-CB 3.45Å; V547-A559 VanDerWaalsContact CB-CB 3.45Å; V547-A559 HydrophobicContact CG1-CB 3.83Å; V547-A559 HydrophobicContact CG2-CB 3.42Å; V547-A559 VanDerWaalsContact CG2-CB 3.42Å; V547-I563 HydrophobicContact CG1-CD1 4.17Å
548	R	86.6	Confident	82.7	Confident	23 Å²	23	53.6 Å²	53.6	9%	0.087	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.1	166.5	177.4	-179.3	173.9	154.7	-1.1	108.8	V504 T505 F523 G550 N551 R552 Y553	V504-R548 WeakPolarHBondContact CA-O 3.2Å; T505-R548 PolarHBondContact N-O 3.06Å; T505-R548 PolarHBondContact O-N 2.97Å; T505-R548 WeakPolarHBondContact OG1-CB 3.43Å; F523-R548 HydrophobicContact CE1-CB 3.84Å; F523-R548 HydrophobicContact CE2-CB 3.72Å; F523-R548 HydrophobicContact CZ-CB 3.34Å; F523-R548 HydrophobicContact CZ-CG 4.5Å; R548-G550 PolarHBondContact NE-O 3.06Å; R548-G550 PolarHBondContact NH2-O 3.22Å; R548-N551 PolarHBondContact NH2-OD1 3.2Å; R548-R552 CarbonylContact C-O 3.59Å; R548-R552 WeakPolarHBondContact CA-O 3.05Å; R548-Y553 HydrophobicContact CB-CD1 3.74Å; R548-Y553 HydrophobicContact CB-CE1 3.75Å; R548-Y553 HydrophobicContact CG-CD1 4.11Å; R548-Y553 HydrophobicContact CG-CE1 3.83Å
549	I	85.2	Confident	83	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.2	169.4	-51.9	177.9	0	0	0	107	D503 V504 V547 N551 R552 Y554 A559 L562 I563 M566	D503-I549 WeakPolarHBondContact O-CA 3.47Å; V504-I549 HydrophobicContact CG2-CG1 4.41Å; V504-I549 HydrophobicContact CG2-CG2 4.39Å; V547-I549 HydrophobicContact CG1-CG1 4.03Å; I549-N551 PolarHBondContact O-N 2.93Å; I549-R552 PolarHBondContact N-O 3.11Å; I549-R552 PolarHBondContact O-N 2.91Å; I549-Y554 HydrophobicContact CB-CD2 4.21Å; I549-Y554 HydrophobicContact CB-CE2 3.81Å; I549-Y554 HydrophobicContact CD1-CD2 4.2Å; I549-Y554 HydrophobicContact CD1-CE2 4.36Å; I549-Y554 HydrophobicContact CG1-CD2 4.08Å; I549-Y554 HydrophobicContact CG1-CE2 4.17Å; I549-A559 HydrophobicContact CD1-CB 4.35Å; I549-L562 HydrophobicContact CD1-CB 3.77Å; I549-L562 HydrophobicContact CD1-CD1 4.2Å; I549-I563 HydrophobicContact CD1-CD1 4.5Å; I549-I563 HydrophobicContact CD1-CG1 3.92Å; I549-M566 HydrophobicContact CG2-CE 3.99Å; I549-M566 HydrophobicContact CG2-SD 3.73Å
550	G	79.8	Confident	83	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-110.3	-168.8	0	0	0	0	0	112.6	D503 R548	D503-G550 PolarHBondContact O-N 3.03Å; R548-G550 PolarHBondContact NE-O 3.06Å; R548-G550 PolarHBondContact NH2-O 3.22Å
551	N	76.6	Confident	82.9	Confident	138 Å²	138	51.5 Å²	51.5	74%	0.738	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	18.5	177.9	-92.2	15.4	0	0	0	114.3	R548 I549	R548-N551 PolarHBondContact NH2-OD1 3.2Å; I549-N551 PolarHBondContact O-N 2.93Å
552	R	80.5	Confident	82.9	Confident	108 Å²	108	45.7 Å²	45.7	41%	0.408	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.4	177.5	-72.8	-167	-73.6	-146	-1.2	111.8	R548 I549 Y554 E578	R548-R552 CarbonylContact C-O 3.59Å; R548-R552 WeakPolarHBondContact CA-O 3.05Å; I549-R552 PolarHBondContact N-O 3.11Å; I549-R552 PolarHBondContact O-N 2.91Å; R552-Y554 HydrophobicContact CB-CD2 4.5Å; R552-Y554 HydrophobicContact CB-CE2 3.5Å; R552-Y554 VanDerWaalsContact CB-CE2 3.5Å; R552-Y554 VanDerWaalsContact CB-OH 3.26Å; R552-Y554 WeakPolarHBondContact CB-OH 3.5Å; R552-Y554 PolarHBondContact NE-OH 3.33Å; R552-Y554 VanDerWaalsContact NE-OH 3.09Å; R552-Y554 VanDerWaalsContact O-CE2 3.32Å; R552-Y554 WeakPolarHBondContact O-CE2 3.34Å; R552-E578 IonicContact CZ-OE1 2.7Å; R552-E578 IonicContact CZ-OE2 2.68Å; R552-E578 IonicContact NE-OE1 3.69Å; R552-E578 PolarHBondContact NE-OE1 3.32Å; R552-E578 IonicContact NH2-OE1 2.6Å; R552-E578 PolarHBondContact NH2-OE1 2.87Å; R552-E578 IonicContact NH2-OE2 3.35Å; R552-E578 PolarHBondContact NH2-OE2 3.1Å
553	Y	85.5	Confident	83	Confident	57 Å²	57	44.9 Å²	44.9	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.2	-178.9	-57.3	-75.6	0	0	0	110.4	I518 K520 F523 V546 V547 R548	I518-Y553 HydrophobicContact CB-CD2 4.02Å; I518-Y553 HydrophobicContact CB-CE2 4.4Å; I518-Y553 HydrophobicContact CB-CG 4.17Å; I518-Y553 HydrophobicContact CG2-CD1 4.08Å; I518-Y553 HydrophobicContact CG2-CD2 4.18Å; I518-Y553 HydrophobicContact CG2-CE1 4.2Å; I518-Y553 HydrophobicContact CG2-CE2 4.29Å; I518-Y553 HydrophobicContact CG2-CG 4.08Å; I518-Y553 WeakPolarHBondContact O-CE2 3.19Å; K520-Y553 WeakPolarHBondContact CA-OH 3.36Å; F523-Y553 HydrophobicContact CB-CE1 3.97Å; F523-Y553 HydrophobicContact CD1-CE1 4.12Å; F523-Y553 AromaticContact CD2-CD1 3.7Å; F523-Y553 HydrophobicContact CD2-CD1 3.7Å; F523-Y553 AromaticContact CD2-CE1 3.47Å; F523-Y553 HydrophobicContact CD2-CE1 3.47Å; F523-Y553 VanDerWaalsContact CD2-CE1 3.47Å; F523-Y553 AromaticContact CE2-CD1 3.97Å; F523-Y553 HydrophobicContact CE2-CD1 3.97Å; F523-Y553 AromaticContact CE2-CE1 3.97Å; F523-Y553 HydrophobicContact CE2-CE1 3.97Å; F523-Y553 HydrophobicContact CG-CD1 4.27Å; F523-Y553 AromaticContact CG-CE1 3.56Å; F523-Y553 HydrophobicContact CG-CE1 3.56Å; F523-Y553 HydrophobicContact CZ-CE1 4.49Å; V546-Y553 HydrophobicContact CG1-CD1 3.96Å; V546-Y553 HydrophobicContact CG1-CG 4.34Å; V547-Y553 CarbonylContact O-C 3.41Å; V547-Y553 WeakPolarHBondContact O-CA 3.48Å; R548-Y553 HydrophobicContact CB-CD1 3.74Å; R548-Y553 HydrophobicContact CB-CE1 3.75Å; R548-Y553 HydrophobicContact CG-CD1 4.11Å; R548-Y553 HydrophobicContact CG-CE1 3.83Å
554	Y	83.7	Confident	83	Confident	11 Å²	11	44.3 Å²	44.3	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.8	-174	-52.3	-98.4	0	0	0	109.8	V547 I549 R552 L558 L562 E578 V582	V547-Y554 PolarHBondContact N-O 2.8Å; V547-Y554 PolarHBondContact O-N 2.93Å; I549-Y554 HydrophobicContact CB-CD2 4.21Å; I549-Y554 HydrophobicContact CB-CE2 3.81Å; I549-Y554 HydrophobicContact CD1-CD2 4.2Å; I549-Y554 HydrophobicContact CD1-CE2 4.36Å; I549-Y554 HydrophobicContact CG1-CD2 4.08Å; I549-Y554 HydrophobicContact CG1-CE2 4.17Å; R552-Y554 HydrophobicContact CB-CD2 4.5Å; R552-Y554 HydrophobicContact CB-CE2 3.5Å; R552-Y554 VanDerWaalsContact CB-CE2 3.5Å; R552-Y554 VanDerWaalsContact CB-OH 3.26Å; R552-Y554 WeakPolarHBondContact CB-OH 3.5Å; R552-Y554 PolarHBondContact NE-OH 3.33Å; R552-Y554 VanDerWaalsContact NE-OH 3.09Å; R552-Y554 VanDerWaalsContact O-CE2 3.32Å; R552-Y554 WeakPolarHBondContact O-CE2 3.34Å; Y554-L558 HydrophobicContact CD1-CB 4.4Å; Y554-L562 HydrophobicContact CD1-CD1 3.68Å; Y554-L562 HydrophobicContact CE1-CD1 3.53Å; Y554-L562 HydrophobicContact CG-CD1 4.24Å; Y554-E578 PolarHBondContact OH-OE1 2.97Å; Y554-V582 HydrophobicContact CD1-CG2 4.3Å; Y554-V582 HydrophobicContact CE1-CG2 4.05Å
555	N	85.4	Confident	83	Confident	45 Å²	45	42.2 Å²	42.2	24%	0.241	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	159.3	163.8	59.9	13	0	0	0	110.4	T557 L558 A559 M586	N555-T557 VanDerWaalsContact CG-OG1 3.27Å; N555-T557 PolarHBondContact ND2-OG1 2.98Å; N555-T557 PolarHBondContact O-N 3.38Å; N555-T557 VanDerWaalsContact O-N 3.11Å; N555-T557 PolarHBondContact OD1-OG1 3.34Å; N555-T557 VanDerWaalsContact OD1-OG1 3.09Å; N555-L558 PolarHBondContact O-N 2.98Å; N555-L558 VanDerWaalsContact O-N 3.13Å; N555-L558 WeakPolarHBondContact OD1-CB 3.45Å; N555-L558 PolarHBondContact OD1-N 3.38Å; N555-L558 VanDerWaalsContact OD1-N 3.11Å; N555-A559 WeakPolarHBondContact O-CB 3Å; N555-A559 PolarHBondContact O-N 3.02Å; N555-M586 HydrophobicContact CB-CE 4.13Å; N555-M586 HydrophobicContact CB-SD 4.27Å; N555-M586 PolarHBondContact N-SD 2.98Å; N555-M586 VanDerWaalsContact N-SD 3.4Å
556	W	84.9	Confident	82.6	Confident	86 Å²	86	43 Å²	43	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-52	-36.1	179.2	-177.4	-128.8	0	0	0	113.4	I540 L545 V547 L558 A559 A560	I540-W556 HydrophobicContact CB-CZ2 4.25Å; I540-W556 HydrophobicContact CG2-CH2 4.49Å; I540-W556 HydrophobicContact CG2-CZ2 4.04Å; I540-W556 VanDerWaalsContact O-CD1 3.32Å; L545-W556 HydrophobicContact CD2-CB 4.14Å; L545-W556 HydrophobicContact CD2-CD2 4.19Å; L545-W556 HydrophobicContact CD2-CE3 4.2Å; L545-W556 HydrophobicContact CD2-CG 4.17Å; V547-W556 HydrophobicContact CG2-CE3 3.86Å; V547-W556 HydrophobicContact CG2-CZ3 4.43Å; W556-L558 PolarHBondContact O-N 2.93Å; W556-A559 PolarHBondContact O-N 2.79Å; W556-A560 HydrophobicContact CD2-CB 4.34Å; W556-A560 HydrophobicContact CE3-CB 4.42Å; W556-A560 HydrophobicContact CH2-CB 4.3Å; W556-A560 HydrophobicContact CZ2-CB 4.22Å; W556-A560 HydrophobicContact CZ3-CB 4.4Å; W556-A560 WeakPolarHBondContact O-CB 3.43Å; W556-A560 PolarHBondContact O-N 3.32Å
557	T	79.8	Confident	82.2	Confident	99 Å²	99	49.6 Å²	49.6	61%	0.607	26%	0.257	S	S	*	.	H	α-helix	trans	-69.9	-24.7	-178.1	52.7	0	0	0	0	115	N555 P561	N555-T557 VanDerWaalsContact CG-OG1 3.27Å; N555-T557 PolarHBondContact ND2-OG1 2.98Å; N555-T557 PolarHBondContact O-N 3.38Å; N555-T557 VanDerWaalsContact O-N 3.11Å; N555-T557 PolarHBondContact OD1-OG1 3.34Å; N555-T557 VanDerWaalsContact OD1-OG1 3.09Å; T557-P561 WeakPolarHBondContact O-CD 3.19Å; T557-P561 WeakPolarHBondContact O-CG 3.27Å
558	L	81.8	Confident	81.4	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-93.1	-34.8	167	-76.6	-173.2	0	0	0	112.8	Y554 N555 W556 P561 L562 W581 V582 K585 M586	Y554-L558 HydrophobicContact CD1-CB 4.4Å; N555-L558 PolarHBondContact O-N 2.98Å; N555-L558 VanDerWaalsContact O-N 3.13Å; N555-L558 WeakPolarHBondContact OD1-CB 3.45Å; N555-L558 PolarHBondContact OD1-N 3.38Å; N555-L558 VanDerWaalsContact OD1-N 3.11Å; W556-L558 PolarHBondContact O-N 2.93Å; L558-P561 WeakPolarHBondContact O-CD 3.31Å; L558-L562 WeakPolarHBondContact O-CG 3.45Å; L558-L562 PolarHBondContact O-N 2.81Å; L558-W581 HydrophobicContact CD2-CB 3.96Å; L558-W581 HydrophobicContact CD2-CE3 4.41Å; L558-V582 HydrophobicContact CD1-CB 4.44Å; L558-V582 HydrophobicContact CD1-CG2 3.95Å; L558-K585 HydrophobicContact CD1-CB 4.07Å; L558-K585 HydrophobicContact CD2-CB 3.76Å; L558-K585 HydrophobicContact CD2-CG 3.69Å; L558-K585 HydrophobicContact CG-CB 3.85Å; L558-K585 HydrophobicContact CG-CG 4.35Å; L558-M586 HydrophobicContact CD1-CB 4.43Å; L558-M586 HydrophobicContact CD1-CG 3.75Å; L558-M586 HydrophobicContact CD1-SD 3.84Å
559	A	84.1	Confident	81	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-46.2	-177.5	0	0	0	0	0	112.6	V547 I549 N555 W556 L562 I563	V547-A559 HydrophobicContact CB-CB 3.45Å; V547-A559 VanDerWaalsContact CB-CB 3.45Å; V547-A559 HydrophobicContact CG1-CB 3.83Å; V547-A559 HydrophobicContact CG2-CB 3.42Å; V547-A559 VanDerWaalsContact CG2-CB 3.42Å; I549-A559 HydrophobicContact CD1-CB 4.35Å; N555-A559 WeakPolarHBondContact O-CB 3Å; N555-A559 PolarHBondContact O-N 3.02Å; W556-A559 PolarHBondContact O-N 2.79Å; A559-L562 WeakPolarHBondContact O-CB 3.3Å; A559-L562 PolarHBondContact O-N 2.66Å; A559-I563 HydrophobicContact CB-CD1 4.37Å; A559-I563 VanDerWaalsContact O-CG1 3.28Å; A559-I563 WeakPolarHBondContact O-CG1 3.24Å; A559-I563 PolarHBondContact O-N 2.93Å
560	A	82.3	Confident	80.7	Confident	36 Å²	36	66.4 Å²	66.4	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-44	-177.9	0	0	0	0	0	112.9	W556 L562 L564	W556-A560 HydrophobicContact CD2-CB 4.34Å; W556-A560 HydrophobicContact CE3-CB 4.42Å; W556-A560 HydrophobicContact CH2-CB 4.3Å; W556-A560 HydrophobicContact CZ2-CB 4.22Å; W556-A560 HydrophobicContact CZ3-CB 4.4Å; W556-A560 WeakPolarHBondContact O-CB 3.43Å; W556-A560 PolarHBondContact O-N 3.32Å; A560-L562 PolarHBondContact O-N 2.75Å; A560-L564 WeakPolarHBondContact O-CB 3.38Å; A560-L564 PolarHBondContact O-N 3.04Å
561	P	79.3	Confident	80.6	Confident	49 Å²	49	72.4 Å²	72.4	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-37.1	169.1	-28	35.5	0	0	0	115.5	T557 L558 C565 W581	T557-P561 WeakPolarHBondContact O-CD 3.19Å; T557-P561 WeakPolarHBondContact O-CG 3.27Å; L558-P561 WeakPolarHBondContact O-CD 3.31Å; P561-C565 PolarHBondContact O-N 3.28Å; P561-W581 HydrophobicContact CB-CZ3 3.76Å
562	L	79.9	Confident	80.5	Confident	10 Å²	10	70.7 Å²	70.7	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-67.9	-50.1	177.8	-75.3	165.7	0	0	0	111.3	I549 Y554 L558 A559 A560 L564 C565 M566 L573 E578	I549-L562 HydrophobicContact CD1-CB 3.77Å; I549-L562 HydrophobicContact CD1-CD1 4.2Å; Y554-L562 HydrophobicContact CD1-CD1 3.68Å; Y554-L562 HydrophobicContact CE1-CD1 3.53Å; Y554-L562 HydrophobicContact CG-CD1 4.24Å; L558-L562 WeakPolarHBondContact O-CG 3.45Å; L558-L562 PolarHBondContact O-N 2.81Å; A559-L562 WeakPolarHBondContact O-CB 3.3Å; A559-L562 PolarHBondContact O-N 2.66Å; A560-L562 PolarHBondContact O-N 2.75Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 2.88Å; L562-C565 WeakPolarHBondContact O-CA 3.34Å; L562-C565 WeakPolarHBondContact O-CB 3.49Å; L562-C565 PolarHBondContact O-N 2.95Å; L562-M566 WeakPolarHBondContact O-CG 3.36Å; L562-M566 PolarHBondContact O-N 2.9Å; L562-L573 HydrophobicContact CD2-CB 4.24Å; L562-L573 HydrophobicContact CD2-CD1 3.83Å; L562-L573 HydrophobicContact CD2-CG 4.19Å; L562-E578 HydrophobicContact CD2-CG 4.19Å
563	I	83	Confident	80.4	Confident	36 Å²	36	67.3 Å²	67.3	19%	0.185	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-43.1	175.2	-63.6	162.2	0	0	0	110.3	V504 V547 I549 A559 C565 M566 Q567	V504-I563 HydrophobicContact CG1-CD1 3.71Å; V504-I563 HydrophobicContact CG1-CG1 4.06Å; V504-I563 HydrophobicContact CG2-CG1 4.16Å; V547-I563 HydrophobicContact CG1-CD1 4.17Å; I549-I563 HydrophobicContact CD1-CD1 4.5Å; I549-I563 HydrophobicContact CD1-CG1 3.92Å; A559-I563 HydrophobicContact CB-CD1 4.37Å; A559-I563 VanDerWaalsContact O-CG1 3.28Å; A559-I563 WeakPolarHBondContact O-CG1 3.24Å; A559-I563 PolarHBondContact O-N 2.93Å; I563-C565 VanDerWaalsContact C-N 3.27Å; I563-C565 PolarHBondContact O-N 3.41Å; I563-M566 PolarHBondContact O-N 2.88Å; I563-Q567 HydrophobicContact CG2-CG 4.14Å; I563-Q567 WeakPolarHBondContact O-CB 3.29Å; I563-Q567 WeakPolarHBondContact O-CG 3.16Å; I563-Q567 PolarHBondContact O-N 3.28Å
564	L	79.6	Confident	80.4	Confident	108 Å²	108	68.2 Å²	68.2	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-61.4	-35.6	176.1	-178	62.9	0	0	0	112	A560 L562 A568	A560-L564 WeakPolarHBondContact O-CB 3.38Å; A560-L564 PolarHBondContact O-N 3.04Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 2.88Å; L564-A568 WeakPolarHBondContact O-CB 3.2Å; L564-A568 PolarHBondContact O-N 3.47Å
565	C	80.4	Confident	80.1	Confident	18 Å²	18	74.6 Å²	74.6	12%	0.122	39%	0.385	C	S	.	.	H	α-helix	trans	-67.9	-47.5	174	-167	0	0	0	0	111.6	P561 L562 I563 Q567 A568 F569 K571 L573	P561-C565 PolarHBondContact O-N 3.28Å; L562-C565 WeakPolarHBondContact O-CA 3.34Å; L562-C565 WeakPolarHBondContact O-CB 3.49Å; L562-C565 PolarHBondContact O-N 2.95Å; I563-C565 VanDerWaalsContact C-N 3.27Å; I563-C565 PolarHBondContact O-N 3.41Å; C565-Q567 PolarHBondContact O-N 3.2Å; C565-A568 PolarHBondContact O-N 3.21Å; C565-F569 WeakPolarHBondContact O-CB 3.15Å; C565-F569 PolarHBondContact O-N 2.65Å; C565-K571 CarbonylContact C-O 3.28Å; C565-L573 HydrophobicContact CB-CD2 4.37Å; C565-L573 HydrophobicContact CB-CG 4.21Å; C565-L573 VanDerWaalsContact SG-CD2 3.58Å
566	M	78.5	Confident	79.9	Confident	23 Å²	23	77.5 Å²	77.5	11%	0.113	41%	0.405	C	S	.	.	H	α-helix	trans	-56.4	-48.4	176.1	-65.4	166.4	77.8	0	0	111.4	D503 V504 I549 L562 I563 Q570 K571 N572	D503-M566 VanDerWaalsContact OD2-CE 3.28Å; D503-M566 WeakPolarHBondContact OD2-CE 3.22Å; V504-M566 HydrophobicContact CG2-CE 4.24Å; V504-M566 HydrophobicContact CG2-SD 4.48Å; I549-M566 HydrophobicContact CG2-CE 3.99Å; I549-M566 HydrophobicContact CG2-SD 3.73Å; L562-M566 WeakPolarHBondContact O-CG 3.36Å; L562-M566 PolarHBondContact O-N 2.9Å; I563-M566 PolarHBondContact O-N 2.88Å; M566-Q570 WeakPolarHBondContact O-CA 3.47Å; M566-Q570 PolarHBondContact O-N 3Å; M566-K571 WeakPolarHBondContact CA-O 3.32Å; M566-K571 PolarHBondContact N-O 2.75Å; M566-N572 VanDerWaalsContact CG-OD1 3.32Å; M566-N572 WeakPolarHBondContact CG-OD1 3.46Å
567	Q	78.8	Confident	79.8	Confident	147 Å²	147	75.9 Å²	75.9	69%	0.687	41%	0.405	S	S	*	.	H	α-helix	trans	-74.3	-38.9	-177.2	-64.7	-61.9	-22.5	0	0	113.1	I563 C565	I563-Q567 HydrophobicContact CG2-CG 4.14Å; I563-Q567 WeakPolarHBondContact O-CB 3.29Å; I563-Q567 WeakPolarHBondContact O-CG 3.16Å; I563-Q567 PolarHBondContact O-N 3.28Å; C565-Q567 PolarHBondContact O-N 3.2Å
568	A	72.9	Confident	79.7	Confident	64 Å²	64	71.9 Å²	71.9	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-78.7	-25.5	-177.7	0	0	0	0	0	114.2	L564 C565	L564-A568 WeakPolarHBondContact O-CB 3.2Å; L564-A568 PolarHBondContact O-N 3.47Å; C565-A568 PolarHBondContact O-N 3.21Å
569	F	78.4	Confident	79.6	Confident	143 Å²	143	76.7 Å²	76.7	63%	0.627	40%	0.401	S	S	*	.	H	α-helix	trans	-127.1	-1.3	-173.3	-55.7	-70.9	0	0	0	114.7	C565 K571	C565-F569 WeakPolarHBondContact O-CB 3.15Å; C565-F569 PolarHBondContact O-N 2.65Å; F569-K571 HydrophobicContact CB-CB 4.48Å; F569-K571 WeakPolarHBondContact O-CG 3.34Å; F569-K571 PolarHBondContact O-N 2.85Å
570	Q	78.9	Confident	79.4	Confident	183 Å²	183	79.2 Å²	79.2	86%	0.855	42%	0.422	S	S	*	.	S	Bend	trans	51.8	33.4	-172.8	-63.9	-173.2	-14.8	0	0	113	M566	M566-Q570 WeakPolarHBondContact O-CA 3.47Å; M566-Q570 PolarHBondContact O-N 3Å
571	K	77.2	Confident	79.2	Confident	153 Å²	153	82.3 Å²	82.3	67%	0.665	43%	0.426	S	S	*	.	S	Bend	trans	-146.2	141.2	-175.3	-71.5	176.4	-176.4	176.6	0	110.5	C565 M566 F569	C565-K571 CarbonylContact C-O 3.28Å; M566-K571 WeakPolarHBondContact CA-O 3.32Å; M566-K571 PolarHBondContact N-O 2.75Å; F569-K571 HydrophobicContact CB-CB 4.48Å; F569-K571 WeakPolarHBondContact O-CG 3.34Å; F569-K571 PolarHBondContact O-N 2.85Å
572	N	76.4	Confident	79	Confident	102 Å²	102	82.4 Å²	82.4	55%	0.545	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-71.4	156.3	166	-75.5	-61.9	0	0	0	110.8	M566	M566-N572 VanDerWaalsContact CG-OD1 3.32Å; M566-N572 WeakPolarHBondContact CG-OD1 3.46Å
573	L	77.4	Confident	78.8	Confident	38 Å²	38	90.1 Å²	90.1	20%	0.199	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-61.3	154.7	169.4	-77.2	-179.9	0	0	0	110.8	L562 C565 K575 W581	L562-L573 HydrophobicContact CD2-CB 4.24Å; L562-L573 HydrophobicContact CD2-CD1 3.83Å; L562-L573 HydrophobicContact CD2-CG 4.19Å; C565-L573 HydrophobicContact CB-CD2 4.37Å; C565-L573 HydrophobicContact CB-CG 4.21Å; C565-L573 VanDerWaalsContact SG-CD2 3.58Å; L573-K575 PolarHBondContact O-N 2.98Å; L573-W581 HydrophobicContact CD1-CE3 4.2Å; L573-W581 HydrophobicContact CD1-CZ3 4.05Å
574	P	84.8	Confident	78.4	Confident	76 Å²	76	94.1 Å²	94.1	49%	0.494	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-56.6	132.4	168.5	-21.6	33.2	0	0	0	110.2	T576 T577 E578	P574-T576 PolarHBondContact O-N 2.78Å; P574-T577 WeakPolarHBondContact O-CA 3.34Å; P574-T577 WeakPolarHBondContact O-CB 3.18Å; P574-T577 PolarHBondContact O-N 3.11Å; P574-E578 PolarHBondContact O-N 3.28Å
575	K	78.1	Confident	77.8	Confident	144 Å²	144	94.2 Å²	94.2	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-52.7	-34.7	-177.4	-66.5	-176.3	177.6	-177.5	0	112.9	L573 E578 E579	L573-K575 PolarHBondContact O-N 2.98Å; K575-E578 PolarHBondContact O-N 3.15Å; K575-E579 VanDerWaalsContact O-CB 3.27Å; K575-E579 WeakPolarHBondContact O-CB 3.44Å; K575-E579 WeakPolarHBondContact O-CG 3.17Å; K575-E579 PolarHBondContact O-N 2.8Å
576	T	81.4	Confident	77.2	Confident	107 Å²	107	96.3 Å²	96.3	66%	0.656	48%	0.481	S	S	*	.	H	α-helix	trans	-64.5	-37.8	175.2	48.9	0	0	0	0	113.7	P574 A580	P574-T576 PolarHBondContact O-N 2.78Å; T576-A580 WeakPolarHBondContact O-CB 3.18Å; T576-A580 PolarHBondContact O-N 2.92Å
577	T	81.8	Confident	76.4	Confident	52 Å²	52	99.7 Å²	99.7	32%	0.319	51%	0.505	S	S	.	.	H	α-helix	trans	-71.9	-42.8	174.4	-50.8	0	0	0	0	110.8	P574 A580 W581	P574-T577 WeakPolarHBondContact O-CA 3.34Å; P574-T577 WeakPolarHBondContact O-CB 3.18Å; P574-T577 PolarHBondContact O-N 3.11Å; T577-A580 PolarHBondContact O-N 3.08Å; T577-W581 PolarHBondContact O-N 2.89Å
578	E	78.1	Confident	75	Confident	15 Å²	15	101 Å²	101	7%	0.07	51%	0.508	C	S	.	.	H	α-helix	trans	-61.3	-48.9	177.4	-173.5	-164.6	170.4	0	0	111.8	R552 Y554 L562 P574 K575 A580 W581 V582	R552-E578 IonicContact CZ-OE1 2.7Å; R552-E578 IonicContact CZ-OE2 2.68Å; R552-E578 IonicContact NE-OE1 3.69Å; R552-E578 PolarHBondContact NE-OE1 3.32Å; R552-E578 IonicContact NH2-OE1 2.6Å; R552-E578 PolarHBondContact NH2-OE1 2.87Å; R552-E578 IonicContact NH2-OE2 3.35Å; R552-E578 PolarHBondContact NH2-OE2 3.1Å; Y554-E578 PolarHBondContact OH-OE1 2.97Å; L562-E578 HydrophobicContact CD2-CG 4.19Å; P574-E578 PolarHBondContact O-N 3.28Å; K575-E578 PolarHBondContact O-N 3.15Å; E578-A580 VanDerWaalsContact C-N 3.32Å; E578-A580 PolarHBondContact O-N 3.39Å; E578-W581 PolarHBondContact O-N 2.88Å; E578-W581 VanDerWaalsContact O-N 3.16Å; E578-V582 WeakPolarHBondContact O-CG2 3.38Å; E578-V582 PolarHBondContact O-N 2.71Å
579	E	79.4	Confident	73.6	Confident	107 Å²	107	105.3 Å²	105.3	50%	0.5	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-35	178.3	-73.4	160.7	-161.2	0	0	112	K575 K583	K575-E579 VanDerWaalsContact O-CB 3.27Å; K575-E579 WeakPolarHBondContact O-CB 3.44Å; K575-E579 WeakPolarHBondContact O-CG 3.17Å; K575-E579 PolarHBondContact O-N 2.8Å; E579-K583 VanDerWaalsContact O-CB 3.28Å; E579-K583 WeakPolarHBondContact O-CB 3.37Å; E579-K583 PolarHBondContact O-N 2.92Å
580	A	80.6	Confident	71.6	Confident	52 Å²	52	104.7 Å²	104.7	43%	0.43	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-43.7	171.2	0	0	0	0	0	112	T576 T577 E578 K583 E584	T576-A580 WeakPolarHBondContact O-CB 3.18Å; T576-A580 PolarHBondContact O-N 2.92Å; T577-A580 PolarHBondContact O-N 3.08Å; E578-A580 VanDerWaalsContact C-N 3.32Å; E578-A580 PolarHBondContact O-N 3.39Å; A580-K583 PolarHBondContact O-N 3.42Å; A580-E584 WeakPolarHBondContact O-CB 3.46Å; A580-E584 PolarHBondContact O-N 3.28Å
581	W	77.3	Confident	69.5	Low	102 Å²	102	99.3 Å²	99.3	39%	0.386	52%	0.522	S	S	.	.	H	α-helix	trans	-69.7	-38.3	178.3	-76.8	17.3	0	0	0	112.8	L558 P561 L573 T577 E578 K583 E584 K585	L558-W581 HydrophobicContact CD2-CB 3.96Å; L558-W581 HydrophobicContact CD2-CE3 4.41Å; P561-W581 HydrophobicContact CB-CZ3 3.76Å; L573-W581 HydrophobicContact CD1-CE3 4.2Å; L573-W581 HydrophobicContact CD1-CZ3 4.05Å; T577-W581 PolarHBondContact O-N 2.89Å; E578-W581 PolarHBondContact O-N 2.88Å; E578-W581 VanDerWaalsContact O-N 3.16Å; W581-K583 VanDerWaalsContact C-N 3.33Å; W581-E584 PolarHBondContact O-N 3.12Å; W581-K585 WeakPolarHBondContact O-CB 3.37Å; W581-K585 PolarHBondContact O-N 2.86Å
582	V	76.8	Confident	67.8	Low	51 Å²	51	103.3 Å²	103.3	31%	0.309	53%	0.533	S	S	.	.	H	α-helix	trans	-61	-43.3	170.5	170.5	0	0	0	0	110.3	Y554 L558 E578 E584 M586	Y554-V582 HydrophobicContact CD1-CG2 4.3Å; Y554-V582 HydrophobicContact CE1-CG2 4.05Å; L558-V582 HydrophobicContact CD1-CB 4.44Å; L558-V582 HydrophobicContact CD1-CG2 3.95Å; E578-V582 WeakPolarHBondContact O-CG2 3.38Å; E578-V582 PolarHBondContact O-N 2.71Å; V582-E584 VanDerWaalsContact C-N 3.33Å; V582-E584 PolarHBondContact O-N 3.45Å; V582-M586 HydrophobicContact CG1-CB 4.45Å; V582-M586 CarbonylContact O-C 3.57Å; V582-M586 VanDerWaalsContact O-CA 3.25Å; V582-M586 WeakPolarHBondContact O-CA 3.44Å; V582-M586 PolarHBondContact O-N 2.86Å
583	K	75.6	Confident	65.5	Low	172 Å²	172	109.2 Å²	109.2	75%	0.748	55%	0.548	S	S	*	.	H	α-helix	trans	-64.9	-33.6	176.1	-172.4	176.2	-179.5	179.6	0	113.2	E579 A580 W581	E579-K583 VanDerWaalsContact O-CB 3.28Å; E579-K583 WeakPolarHBondContact O-CB 3.37Å; E579-K583 PolarHBondContact O-N 2.92Å; A580-K583 PolarHBondContact O-N 3.42Å; W581-K583 VanDerWaalsContact C-N 3.33Å
584	E	73.5	Confident	63.3	Low	120 Å²	120	118.1 Å²	118.1	56%	0.561	58%	0.579	S	S	*	*	H	α-helix	trans	-80.5	-41.9	180	-160.2	-156.9	145	0	0	113.2	A580 W581 V582	A580-E584 WeakPolarHBondContact O-CB 3.46Å; A580-E584 PolarHBondContact O-N 3.28Å; W581-E584 PolarHBondContact O-N 3.12Å; V582-E584 VanDerWaalsContact C-N 3.33Å; V582-E584 PolarHBondContact O-N 3.45Å
585	K	67.9	Low	60.7	Low	109 Å²	109	124 Å²	124	47%	0.474	60%	0.597	S	S	.	*	H	α-helix	trans	-108.2	-11.7	-171.2	-48.1	-56.6	-169.7	-171.9	0	114.8	L558 W581 P587	L558-K585 HydrophobicContact CD1-CB 4.07Å; L558-K585 HydrophobicContact CD2-CB 3.76Å; L558-K585 HydrophobicContact CD2-CG 3.69Å; L558-K585 HydrophobicContact CG-CB 3.85Å; L558-K585 HydrophobicContact CG-CG 4.35Å; W581-K585 WeakPolarHBondContact O-CB 3.37Å; W581-K585 PolarHBondContact O-N 2.86Å; K585-P587 VanDerWaalsContact C-CD 3.48Å
586	M	68.2	Low	58.5	Low	62 Å²	62	129.2 Å²	129.2	31%	0.305	61%	0.613	S	S	.	*	S	Bend	trans	-134.6	55.4	173.2	-63.8	-174.4	81.9	0	0	111.9	N555 L558 V582 K588	N555-M586 HydrophobicContact CB-CE 4.13Å; N555-M586 HydrophobicContact CB-SD 4.27Å; N555-M586 PolarHBondContact N-SD 2.98Å; N555-M586 VanDerWaalsContact N-SD 3.4Å; L558-M586 HydrophobicContact CD1-CB 4.43Å; L558-M586 HydrophobicContact CD1-CG 3.75Å; L558-M586 HydrophobicContact CD1-SD 3.84Å; V582-M586 HydrophobicContact CG1-CB 4.45Å; V582-M586 CarbonylContact O-C 3.57Å; V582-M586 VanDerWaalsContact O-CA 3.25Å; V582-M586 WeakPolarHBondContact O-CA 3.44Å; V582-M586 PolarHBondContact O-N 2.86Å; M586-K588 PolarHBondContact O-N 3.39Å
587	P	60.2	Low	55.8	Low	94 Å²	94	135.5 Å²	135.5	61%	0.61	63%	0.625	S	S	*	*			trans	-63.1	124.1	179.6	27.2	-35.2	0	0	0	111.8	K585 K589	K585-P587 VanDerWaalsContact C-CD 3.48Å; P587-K589 PolarHBondContact O-N 3.17Å; P587-K589 VanDerWaalsContact O-N 3.13Å
588	K	49.4	Very low	53.3	Low	175 Å²	175	142.6 Å²	142.6	76%	0.761	65%	0.651	S	S	*	*	S	Bend	trans	-71.7	108	179.6	-70.4	-165.8	176.5	-173.6	0	111.5	E517 M586	E517-K588 IonicContact OE1-NZ 2.84Å; E517-K588 PolarHBondContact OE1-NZ 3.09Å; M586-K588 PolarHBondContact O-N 3.39Å
589	K	44.2	Very low	50.9	Low	155 Å²	155	146 Å²	146	67%	0.674	68%	0.677	S	S	*	*	S	Bend	trans	86.3	104.7	168.8	-56.6	-161.4	179	-164.2	0	119.1	N515 P587	N515-K589 WeakPolarHBondContact OD1-CD 3.31Å; N515-K589 WeakPolarHBondContact OD1-CE 2.94Å; N515-K589 PolarHBondContact OD1-NZ 3.44Å; P587-K589 PolarHBondContact O-N 3.17Å; P587-K589 VanDerWaalsContact O-N 3.13Å
590	S	37.1	Very low	48.4	Very low	129 Å²	129	145.9 Å²	145.9	90%	0.902	69%	0.688	S	S	*	*			trans	53.2	125.4	132.6	-158.6	0	0	0	0	121.2
591	G	34.6	Very low	45.6	Very low	71 Å²	71	150.1 Å²	150.1	73%	0.732	71%	0.708	S	S	*	*			trans	163.5	39.2	167.2	0	0	0	0	0	120.7
592	R	41.1	Very low	43.4	Very low	237 Å²	237	153.3 Å²	153.3	89%	0.894	73%	0.725	S	S	*	*			trans	54	84.4	167.7	-59.9	-177.4	178.8	-150.3	-0.4	118.3
593	W	28.7	Very low	41.1	Very low	225 Å²	225	157.8 Å²	157.8	85%	0.852	74%	0.743	S	S	*	*			trans	-174.9	138.5	130.3	-81.8	-21	0	0	0	105.3
594	W	31.1	Very low	38.7	Very low	225 Å²	225	156.4 Å²	156.4	85%	0.852	74%	0.742	S	S	*	*			cis	-136.8	138.8	41.6	-50.5	84.4	0	0	0	112.9
595	F	30	Very low	36.6	Very low	201 Å²	201	156.5 Å²	156.5	88%	0.882	75%	0.746	S	S	*	*			trans	-132.7	98.8	163.4	-87.6	-67.3	0	0	0	110.5
596	W	30.8	Very low	34.5	Very low	252 Å²	252	158.1 Å²	158.1	96%	0.955	77%	0.765	S	S	*	*			trans	-138.7	58.1	166.4	-90.3	104.8	0	0	0	111.7
597	R	26.4	Very low	32.4	Very low	240 Å²	240	163.5 Å²	163.5	91%	0.906	79%	0.79	S	S	*	*			trans	-156.1	80.2	147.2	-147.7	-171.7	-67.9	-162.2	4.8	114.4
598	K	28.1	Very low	30.8	Very low	200 Å²	200	165.1 Å²	165.1	87%	0.87	80%	0.804	S	S	*	*			trans	-145.3	156.4	150.3	-85.5	-162.6	178.1	-179.6	0	106.7
599	S	28.8	Very low	29.5	Very low	87 Å²	87	165.1 Å²	165.1	61%	0.608	80%	0.803	S	S	*	*			cis	-152.7	160.6	9.5	-150.3	0	0	0	0	110.5
600	S	25.6	Very low	28.6	Very low	105 Å²	105	165 Å²	165	73%	0.734	81%	0.81	S	S	*	*				177.9	112.2	108.1	-77.8	0	0	0	0	113.5
601	T	22.1	Very low	28	Very low	140 Å²	140	166.2 Å²	166.2	86%	0.859	80%	0.801	S	S	*	*				-137.2	128.6	122.7	-31.4	0	0	0	0	107.8
602	K	30.4	Very low	27.5	Very low	169 Å²	169	173.3 Å²	173.3	74%	0.735	81%	0.806	S	S	*	*			trans	-110.1	164.8	162.6	-57.9	-173.7	-172.7	179	0	105.8
603	Q	29.2	Very low	26.6	Very low	146 Å²	146	167.7 Å²	167.7	68%	0.682	79%	0.79	S	S	*	*			cis	-148.9	-176.1	1.5	-128.7	156.4	-68.5	0	0	103.9
604	L	26.2	Very low	26.3	Very low	142 Å²	142	164.4 Å²	164.4	74%	0.743	78%	0.784	S	S	*	*			cis	-164.1	149	37.4	-164.5	102.4	0	0	0	110.7
605	L	28.5	Very low	25.9	Very low	122 Å²	122	159.2 Å²	159.2	64%	0.639	78%	0.782	S	S	*	*			trans	-33.3	149.7	162.8	-59.4	150.9	0	0	0	117.1
606	T	24.4	Very low	25.6	Very low	143 Å²	143	154.1 Å²	154.1	88%	0.877	78%	0.776	S	S	*	*				-160	143	99.6	25.5	0	0	0	0	112.2
607	E	23.8	Very low	25.1	Very low	176 Å²	176	147.1 Å²	147.1	82%	0.822	77%	0.766	S	S	*	*			trans	-95.1	156	170.4	-61.7	162.3	96.7	0	0	110.8
608	S	25.6	Very low	25	Very low	128 Å²	128	145 Å²	145	90%	0.895	76%	0.758	S	S	*	*				-174.8	132.3	121.4	29.1	0	0	0	0	111.7
609	K	23.9	Very low	24.7	Very low	174 Å²	174	141.9 Å²	141.9	76%	0.757	75%	0.747	S	S	*	*			trans	-125.3	123.9	171.6	-179.4	-160	175.1	-179.7	0	108
610	L	24.5	Very low	24.4	Very low	154 Å²	154	143.1 Å²	143.1	81%	0.806	76%	0.755	S	S	*	*				-172.4	149	125.9	-127.2	79.4	0	0	0	111.6
611	E	24.9	Very low	25.1	Very low	154 Å²	154	143.7 Å²	143.7	72%	0.72	76%	0.757	S	S	*	*			trans	-85.4	160.8	174.3	-54	123	101.9	0	0	112.2
612	R	23.3	Very low	25.1	Very low	220 Å²	220	140.9 Å²	140.9	83%	0.83	75%	0.748	S	S	*	*			trans	-150.9	96.9	144.2	-163.3	152.2	-160.1	173	9.3	114.9
613	Q	22.3	Very low	24.8	Very low	119 Å²	119	139.7 Å²	139.7	56%	0.556	75%	0.748	S	S	*	*				63.5	118.3	123.5	-162.8	177.5	-4.6	0	0	120.7
614	E	21.8	Very low	24.6	Very low	156 Å²	156	139.9 Å²	139.9	73%	0.729	75%	0.749	S	S	*	*			trans	76.7	136.4	145.1	-75.8	-179.7	99.1	0	0	124.7
615	S	22.9	Very low	24.4	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	75%	0.753	S	S	*	*			trans	99.8	109.5	140.3	72	0	0	0	0	120.8
616	A	23.6	Very low	24.2	Very low	93 Å²	93	140 Å²	140	77%	0.769	76%	0.758	S	S	*	*			trans	-19.2	149.2	156.3	0	0	0	0	0	117.6
617	S	21.5	Very low	24.8	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	75%	0.749	S	S	*	*				175.6	161.4	65	51.7	0	0	0	0	114.8
618	R	24.4	Very low	24.8	Very low	195 Å²	195	136.6 Å²	136.6	74%	0.736	75%	0.745	S	S	*	*			trans	63.2	125.3	150.5	-70.6	179	101.1	131.8	17.9	122.6
619	E	21.9	Very low	24.8	Very low	135 Å²	135	136 Å²	136	63%	0.631	74%	0.736	S	S	*	*				63.8	103.6	128.4	-64.5	160	-163.7	0	0	120.5
620	S	22.3	Very low	24.9	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	74%	0.737	S	S	*	*				50.5	158.2	106	-59.6	0	0	0	0	121.9
621	P	39.3	Very low	25	Very low	118 Å²	118	137.3 Å²	137.3	77%	0.766	74%	0.741	S	S	*	*			cis	-138	-159.1	-27	37.5	-17.1	0	0	0	112.4
622	A	23.6	Very low	24.9	Very low	81 Å²	81	140.1 Å²	140.1	67%	0.669	75%	0.751	S	S	*	*			trans	72.4	158.9	147.5	0	0	0	0	0	119.3
623	L	22.9	Very low	24.9	Very low	143 Å²	143	133.2 Å²	133.2	75%	0.749	74%	0.741	S	S	*	*			cis	-161.3	134.5	-22.5	-104.5	169.1	0	0	0	108.6
624	H	26	Very low	25.1	Very low	151 Å²	151	131.7 Å²	131.7	70%	0.699	74%	0.743	S	S	*	*			trans	63.7	148.8	142.3	-82.5	-141.4	0	0	0	124.8
625	Q	21.9	Very low	25.2	Very low	178 Å²	178	129.6 Å²	129.6	83%	0.832	73%	0.734	S	S	*	*			trans	77	116.5	144.7	-77.3	162.7	-4.1	0	0	121.6
626	A	23.1	Very low	25.1	Very low	89 Å²	89	134 Å²	134	74%	0.736	73%	0.733	S	S	*	*			trans	-82.8	176.2	147.1	0	0	0	0	0	109.9
627	P	36.9	Very low	25.1	Very low	105 Å²	105	134.5 Å²	134.5	68%	0.682	73%	0.73	S	S	*	*				-149.6	-179.7	80.8	42.5	-25.2	0	0	0	116.2
628	D	25.2	Very low	25.1	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	73%	0.725	S	S	*	*			trans	68.1	147.5	154.1	-62.7	-36.2	0	0	0	120.1
629	T	24.7	Very low	25.1	Very low	115 Å²	115	131.1 Å²	131.1	71%	0.706	73%	0.726	S	S	*	*			cis	-148	163.8	6.9	-12.4	0	0	0	0	113.1
630	Q	26.5	Very low	25	Very low	167 Å²	167	133 Å²	133	78%	0.78	73%	0.734	S	S	*	*			trans	64.4	96.1	160.9	-65	176.8	9	0	0	117.5
631	Q	25.4	Very low	25.2	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	73%	0.731	S	S	*	*				79.3	108.8	79	-79.8	-173.3	-4.1	0	0	115.9
632	K	23.1	Very low	24.5	Very low	213 Å²	213	134.1 Å²	134.1	93%	0.926	72%	0.724	S	S	*	*				-168.6	161.4	96.2	-160.7	166.1	-179.5	-178.2	0	110
633	A	24.5	Very low	24.7	Very low	76 Å²	76	138.4 Å²	138.4	63%	0.628	73%	0.728	S	S	*	*			trans	-121	170.3	-172.5	0	0	0	0	0	114.1
634	S	25.3	Very low	25	Very low	86 Å²	86	137 Å²	137	60%	0.601	72%	0.717	S	S	*	*			trans	-2.3	157.7	158.8	47	0	0	0	0	121
635	E	23.6	Very low	25.1	Very low	112 Å²	112	138.4 Å²	138.4	52%	0.523	73%	0.729	S	S	.	*			cis	-160.2	159	20.6	-140.1	164.2	-101.2	0	0	113.1	R207	R207-E635 IonicContact CZ-OE2 3.58Å; R207-E635 IonicContact NE-OE2 3.37Å; R207-E635 PolarHBondContact NE-OE2 2.87Å; R207-E635 IonicContact NH2-OE2 3.52Å; R207-E635 PolarHBondContact NH2-OE2 2.77Å
636	W	21.1	Very low	25.3	Very low	209 Å²	209	136.9 Å²	136.9	79%	0.792	73%	0.727	S	S	*	*			trans	65.6	141.7	152.8	-127.3	-71.7	0	0	0	123.4
637	S	23.7	Very low	25.4	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	73%	0.727	S	S	*	*			trans	95.9	143.1	144	-140	0	0	0	0	122.8
638	S	21.3	Very low	24.9	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	74%	0.737	S	S	*	*			trans	66.1	111.4	148.7	-162.8	0	0	0	0	121
639	D	24	Very low	25	Very low	141 Å²	141	134.1 Å²	134.1	75%	0.754	74%	0.739	S	S	*	*			trans	57.3	165.6	131.2	-53.2	-63	0	0	0	124
640	E	21.7	Very low	25.7	Very low	174 Å²	174	134.9 Å²	134.9	81%	0.813	75%	0.746	S	S	*	*			trans	80.2	163.3	160.4	-70.2	-61.7	91.3	0	0	123.2
641	E	25.6	Very low	25.6	Very low	153 Å²	153	131.4 Å²	131.4	72%	0.715	74%	0.74	S	S	*	*			trans	-86.7	143.6	-154.4	-95.2	-158.1	96.4	0	0	116.9
642	T	25.6	Very low	25.7	Very low	101 Å²	101	131 Å²	131	62%	0.62	74%	0.74	S	S	*	*			trans	77.2	146.8	136.8	67.2	0	0	0	0	123.6
643	K	26.9	Very low	26	Very low	172 Å²	172	129.5 Å²	129.5	75%	0.748	73%	0.734	S	S	*	*			trans	74.8	154.6	134.4	-89.1	-175.8	164	-138.9	0	119.6
644	E	29.6	Very low	26.4	Very low	114 Å²	114	132.2 Å²	132.2	53%	0.533	75%	0.745	S	S	.	*			cis	-137.6	171.9	-7.7	-63.5	-156.5	134.7	0	0	110.9
645	L	27	Very low	26.4	Very low	179 Å²	179	134.2 Å²	134.2	94%	0.937	75%	0.754	S	S	*	*			trans	-116.9	135.7	142.2	-83.4	175.8	0	0	0	109.8
646	N	27.1	Very low	27.2	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	77%	0.771	S	S	*	*			trans	-87.3	153.3	-168.7	-99	-89	0	0	0	113.8
647	G	25.8	Very low	27.6	Very low	73 Å²	73	139 Å²	139	75%	0.753	78%	0.775	S	S	*	*			trans	-170.5	67.9	-178.2	0	0	0	0	0	117.5
648	A	26.3	Very low	28.4	Very low	108 Å²	108	140.8 Å²	140.8	89%	0.893	78%	0.781	S	S	*	*			trans	72.8	145.6	168	0	0	0	0	0	119
649	A	27.3	Very low	28.9	Very low	95 Å²	95	145.3 Å²	145.3	79%	0.785	79%	0.792	S	S	*	*			trans	-119.1	178.4	-177.5	0	0	0	0	0	109.7
650	P	37.6	Very low	29.7	Very low	132 Å²	132	143.8 Å²	143.8	86%	0.857	79%	0.793	S	S	*	*			cis	-132.3	177	43.8	38.2	-19.4	0	0	0	116.4
651	S	25.9	Very low	30.5	Very low	93 Å²	93	144.6 Å²	144.6	65%	0.65	80%	0.797	S	S	*	*			trans	-93.4	149.2	-170.7	178.3	0	0	0	0	114.8
652	M	26.7	Very low	31.1	Very low	181 Å²	181	141.2 Å²	141.2	89%	0.892	80%	0.803	S	S	*	*			trans	-127.3	144.6	147.4	-81.4	-77.6	104.3	0	0	108.5
653	K	29.6	Very low	31.6	Very low	182 Å²	182	142.7 Å²	142.7	79%	0.791	81%	0.811	S	S	*	*			trans	-84.3	150.3	-179.6	-71.6	-172.9	177.2	-175	0	111.8	T655	K653-T655 PolarHBondContact O-N 3.03Å
654	P	32.7	Very low	32.4	Very low	132 Å²	132	139 Å²	139	86%	0.857	81%	0.812	S	S	*	*			trans	-63.3	135.9	169.4	28.7	-34.4	0	0	0	110.1
655	T	26.4	Very low	33	Very low	129 Å²	129	138 Å²	138	79%	0.791	82%	0.815	S	S	*	*			trans	-114.8	137.2	167.7	-53.8	0	0	0	0	107.1	K653 R657	K653-T655 PolarHBondContact O-N 3.03Å; T655-R657 PolarHBondContact O-N 3.26Å
656	E	39.9	Very low	34	Very low	189 Å²	189	135.4 Å²	135.4	88%	0.883	81%	0.81	S	S	*	*			trans	-57.2	129.3	175.2	-64.7	177.7	109.4	0	0	110.8
657	R	29.1	Very low	35.6	Very low	232 Å²	232	132.6 Å²	132.6	88%	0.875	79%	0.792	S	S	*	*			trans	-146.7	116.2	158.2	-110.3	175.7	-169.4	-176.7	2.7	110.7	T655 Q659	T655-R657 PolarHBondContact O-N 3.26Å; R657-Q659 PolarHBondContact O-N 2.87Å
658	V	40.1	Very low	38	Very low	140 Å²	140	131.1 Å²	131.1	85%	0.848	77%	0.77	S	S	*	*			trans	-64.4	121.7	164.9	175	0	0	0	0	108.6
659	Q	32.3	Very low	40.6	Very low	184 Å²	184	128.4 Å²	128.4	86%	0.86	74%	0.737	S	S	*	*			trans	-153.5	128.7	155.5	-113.2	155.2	43	0	0	108.6	R657	R657-Q659 PolarHBondContact O-N 2.87Å
660	S	41.1	Very low	43.4	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	71%	0.712	S	S	*	*			trans	-102.7	119.2	-173.4	54	0	0	0	0	110.6
661	E	37	Very low	45.8	Very low	192 Å²	192	124 Å²	124	90%	0.897	69%	0.685	S	S	*	*			trans	-154.8	121.2	166.1	-119.8	162.2	-137.3	0	0	112	V663	E661-V663 PolarHBondContact O-N 2.84Å
662	G	40.2	Very low	48.9	Very low	81 Å²	81	120.8 Å²	120.8	84%	0.835	66%	0.662	S	S	*	*			trans	68.6	23.7	143.9	0	0	0	0	0	120.7	A664	G662-A664 PolarHBondContact O-N 3.34Å
663	V	35.5	Very low	52	Low	133 Å²	133	115.2 Å²	115.2	81%	0.806	64%	0.636	S	S	*	*			trans	-68.9	97.8	165.3	-179.1	0	0	0	0	109	E661 T665	E661-V663 PolarHBondContact O-N 2.84Å; V663-T665 PolarHBondContact O-N 3.5Å
664	A	43.8	Very low	55.1	Low	93 Å²	93	110.4 Å²	110.4	77%	0.769	61%	0.613	S	S	*	*			trans	-65.4	104.9	165.2	0	0	0	0	0	108.2	G662 C666	G662-A664 PolarHBondContact O-N 3.34Å; A664-C666 PolarHBondContact O-N 3.42Å
665	T	42.1	Very low	58	Low	94 Å²	94	104.9 Å²	104.9	58%	0.577	58%	0.576	S	S	*	*			trans	-57.6	112.7	177	33.6	0	0	0	0	109.5	V663 H667	V663-T665 PolarHBondContact O-N 3.5Å; T665-H667 WeakPolarHBondContact CB-NE2 3.25Å; T665-H667 PolarHBondContact O-CD2 3.09Å; T665-H667 PolarHBondContact O-N 3.12Å; T665-H667 PolarHBondContact OG1-CD2 3.44Å; T665-H667 PolarHBondContact OG1-NE2 3.37Å
666	C	48.3	Very low	61.3	Low	125 Å²	125	101 Å²	101	85%	0.845	55%	0.554	S	S	*	*			trans	-78.6	76.6	174.9	-166.3	0	0	0	0	108.5	A664 S668	A664-C666 PolarHBondContact O-N 3.42Å; C666-S668 PolarHBondContact O-N 3.15Å
667	H	59.2	Low	64	Low	88 Å²	88	93.4 Å²	93.4	41%	0.407	52%	0.522	S	S	.	.			trans	-57.1	107.4	175.3	-60.1	-93.5	0	0	0	108.5	E91 T665 Y669	E91-H667 HydrophobicContact CG-CB 4.15Å; E91-H667 IonicContact OE1-CE1 3.44Å; E91-H667 PolarHBondContact OE1-CE1 2.8Å; E91-H667 IonicContact OE1-CG 3.82Å; E91-H667 IonicContact OE1-ND1 2.69Å; E91-H667 PolarHBondContact OE1-ND1 2.84Å; E91-H667 IonicContact OE2-ND1 3.18Å; T665-H667 WeakPolarHBondContact CB-NE2 3.25Å; T665-H667 PolarHBondContact O-CD2 3.09Å; T665-H667 PolarHBondContact O-N 3.12Å; T665-H667 PolarHBondContact OG1-CD2 3.44Å; T665-H667 PolarHBondContact OG1-NE2 3.37Å; H667-Y669 HydrophobicContact CB-CE2 3.83Å; H667-Y669 WeakPolarHBondContact O-CD2 3.43Å; H667-Y669 WeakPolarHBondContact O-CE2 3.43Å
668	S	76.1	Confident	67.1	Low	42 Å²	42	88.3 Å²	88.3	29%	0.294	51%	0.512	S	S	.	.			trans	-83.8	139.9	173.1	55	0	0	0	0	108.6	A92 C666	A92-S668 WeakPolarHBondContact CB-O 3.39Å; A92-S668 PolarHBondContact N-O 2.84Å; C666-S668 PolarHBondContact O-N 3.15Å
669	Y	81.5	Confident	69.7	Low	50 Å²	50	85 Å²	85	20%	0.196	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136	-178	-60.9	-96.8	0	0	0	109.9	V89 Q90 E91 T105 P107 H667	V89-Y669 HydrophobicContact CG1-CD1 3.77Å; V89-Y669 HydrophobicContact CG1-CG 4.11Å; Q90-Y669 CarbonylContact O-C 3.49Å; Q90-Y669 WeakPolarHBondContact O-CA 3.23Å; E91-Y669 HydrophobicContact CB-CD1 4Å; E91-Y669 HydrophobicContact CB-CE1 3.9Å; E91-Y669 HydrophobicContact CG-CD1 4.17Å; E91-Y669 HydrophobicContact CG-CE1 3.83Å; T105-Y669 PolarHBondContact N-O 3.24Å; P107-Y669 HydrophobicContact CB-CD1 4.43Å; P107-Y669 HydrophobicContact CB-CD2 4.42Å; P107-Y669 HydrophobicContact CB-CE1 4.03Å; P107-Y669 HydrophobicContact CB-CE2 4.05Å; P107-Y669 HydrophobicContact CG-CD2 4.41Å; P107-Y669 HydrophobicContact CG-CE2 3.98Å; H667-Y669 HydrophobicContact CB-CE2 3.83Å; H667-Y669 WeakPolarHBondContact O-CD2 3.43Å; H667-Y669 WeakPolarHBondContact O-CE2 3.43Å
670	R	85.8	Confident	72.8	Confident	71 Å²	71	76.4 Å²	76.4	27%	0.268	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147	176.4	67.6	-175.1	-170.6	-166.3	0.4	111.6	Q90 E97 I99 L103	Q90-R670 HydrophobicContact CB-CG 4.1Å; Q90-R670 PolarHBondContact N-O 2.86Å; Q90-R670 PolarHBondContact O-N 3.23Å; Q90-R670 VanDerWaalsContact OE1-CZ 3.31Å; E97-R670 IonicContact OE1-CZ 2.69Å; E97-R670 IonicContact OE1-NH1 3.59Å; E97-R670 PolarHBondContact OE1-NH1 3.03Å; E97-R670 IonicContact OE2-NH1 3.67Å; E97-R670 PolarHBondContact OE2-NH1 3.47Å; I99-R670 HydrophobicContact CD1-CB 4.35Å; I99-R670 HydrophobicContact CG2-CB 4.07Å; L103-R670 CarbonylContact O-C 3.54Å; L103-R670 VanDerWaalsContact O-CA 3.31Å; L103-R670 WeakPolarHBondContact O-CA 3.45Å
671	K	87.6	Confident	75.3	Confident	63 Å²	63	73.6 Å²	73.6	27%	0.274	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.5	167.5	-59.6	173.8	-171.4	168.2	0	108.7	F87 H102 L103 T105	F87-K671 HydrophobicContact CB-CB 4.18Å; F87-K671 HydrophobicContact CD1-CD 4.01Å; F87-K671 HydrophobicContact CD1-CG 4.12Å; F87-K671 HydrophobicContact CD2-CB 3.96Å; F87-K671 HydrophobicContact CD2-CD 4.42Å; F87-K671 HydrophobicContact CD2-CG 3.64Å; F87-K671 HydrophobicContact CE1-CD 4.03Å; F87-K671 HydrophobicContact CE1-CG 4.21Å; F87-K671 HydrophobicContact CE2-CD 4.44Å; F87-K671 HydrophobicContact CE2-CG 3.75Å; F87-K671 HydrophobicContact CG-CB 4Å; F87-K671 HydrophobicContact CG-CD 4.21Å; F87-K671 HydrophobicContact CG-CG 3.84Å; F87-K671 HydrophobicContact CZ-CD 4.26Å; F87-K671 HydrophobicContact CZ-CG 4.04Å; H102-K671 WeakPolarHBondContact O-CE 3.37Å; H102-K671 PolarHBondContact O-NZ 2.95Å; L103-K671 WeakPolarHBondContact O-CG 3.49Å; L103-K671 PolarHBondContact O-N 3.39Å; T105-K671 HydrophobicContact CG2-CG 4.19Å
672	S	91.1	Very high	78.1	Confident	26 Å²	26	67.8 Å²	67.8	18%	0.182	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147	165.8	-174.7	0	0	0	0	110.3	F88 R674	F88-S672 PolarHBondContact N-O 2.91Å; F88-S672 PolarHBondContact O-N 2.71Å; S672-R674 PolarHBondContact OG-N 3.47Å; S672-R674 PolarHBondContact OG-O 3.12Å
673	L	92.6	Very high	80.7	Confident	64 Å²	64	64.6 Å²	64.6	34%	0.335	38%	0.375	S	S	.	.	S	Bend	trans	-104.6	1.9	166.2	-60.5	-179.8	0	0	0	111.9	P47 F48 A86 F87	P47-L673 CarbonylContact C-O 3.54Å; P47-L673 WeakPolarHBondContact CA-O 3.1Å; P47-L673 HydrophobicContact CB-CB 3.9Å; P47-L673 HydrophobicContact CB-CD1 4.48Å; F48-L673 PolarHBondContact N-O 3.04Å; A86-L673 WeakPolarHBondContact O-CD2 3.47Å; F87-L673 HydrophobicContact CB-CD2 4.04Å
674	R	94.7	Very high	83.5	Confident	81 Å²	81	66.7 Å²	66.7	31%	0.306	37%	0.373	S	S	.	.	S	Bend	trans	-125.8	147.4	180	-70.3	-179	170.7	-141.2	-4.4	111	C45 S672 D827	C45-R674 PolarHBondContact O-NE 3.06Å; C45-R674 PolarHBondContact O-NH1 3.36Å; C45-R674 PolarHBondContact O-NH2 3.36Å; S672-R674 PolarHBondContact OG-N 3.47Å; S672-R674 PolarHBondContact OG-O 3.12Å; R674-D827 IonicContact CZ-OD1 3.47Å; R674-D827 IonicContact CZ-OD2 3.9Å; R674-D827 IonicContact NH2-OD1 3.54Å; R674-D827 PolarHBondContact NH2-OD1 2.65Å; R674-D827 IonicContact NH2-OD2 3.31Å; R674-D827 PolarHBondContact NH2-OD2 2.7Å
675	L	94.6	Very high	86	Confident	17 Å²	17	63.4 Å²	63.4	9%	0.089	34%	0.342	C	S	.	.			trans	-92	155.8	174.6	-67.2	178.2	0	0	0	110.4	F48 L76 F88 Q679 I680 L683	F48-L675 HydrophobicContact CE2-CD1 3.92Å; F48-L675 HydrophobicContact CE2-CG 4.05Å; F48-L675 HydrophobicContact CZ-CD1 3.74Å; F48-L675 HydrophobicContact CZ-CG 4.36Å; L76-L675 HydrophobicContact CD1-CD1 4.34Å; L76-L675 HydrophobicContact CD1-CD2 4.36Å; F88-L675 HydrophobicContact CD1-CD2 3.81Å; F88-L675 HydrophobicContact CD2-CD2 3.86Å; F88-L675 HydrophobicContact CD2-CG 4.33Å; F88-L675 HydrophobicContact CE1-CD2 3.67Å; F88-L675 HydrophobicContact CE1-CG 4.41Å; F88-L675 HydrophobicContact CE2-CD2 3.71Å; F88-L675 HydrophobicContact CE2-CG 3.83Å; F88-L675 HydrophobicContact CG-CD2 3.91Å; F88-L675 HydrophobicContact CZ-CD1 4.16Å; F88-L675 HydrophobicContact CZ-CD2 3.62Å; F88-L675 HydrophobicContact CZ-CG 3.88Å; L675-Q679 HydrophobicContact CB-CB 3.92Å; L675-Q679 HydrophobicContact CD2-CB 4.13Å; L675-Q679 HydrophobicContact CG-CB 4.43Å; L675-I680 HydrophobicContact CB-CD1 4.33Å; L675-I680 HydrophobicContact CB-CG1 3.75Å; L675-I680 HydrophobicContact CD1-CG1 4.42Å; L675-L683 HydrophobicContact CD1-CD1 4.01Å
676	S	94.8	Very high	88.6	Confident	47 Å²	47	66.3 Å²	66.3	33%	0.329	34%	0.343	S	S	.	.			trans	-72	164.3	167.7	77.7	0	0	0	0	111.6	D678 Q679 I680	S676-D678 PolarHBondContact O-N 3.24Å; S676-D678 PolarHBondContact OG-N 3.1Å; S676-Q679 PolarHBondContact O-N 3.13Å; S676-Q679 WeakPolarHBondContact OG-CG 3.34Å; S676-Q679 PolarHBondContact OG-N 3.07Å; S676-I680 VanDerWaalsContact O-CG1 3.29Å; S676-I680 WeakPolarHBondContact O-CG1 3.45Å; S676-I680 PolarHBondContact O-N 3.42Å
677	S	95.8	Very high	90.8	Very high	30 Å²	30	65.4 Å²	65.4	21%	0.21	33%	0.33	C	S	.	.	H	α-helix	trans	-54.7	-40.4	174.6	-176.3	0	0	0	0	112.1	T42 F43 I680 A681	T42-S677 WeakPolarHBondContact CA-OG 3.26Å; T42-S677 WeakPolarHBondContact CB-OG 3.4Å; F43-S677 PolarHBondContact N-OG 3.43Å; S677-I680 PolarHBondContact O-N 3.42Å; S677-A681 WeakPolarHBondContact O-CB 3.19Å; S677-A681 PolarHBondContact O-N 2.88Å
678	D	95.1	Very high	92.6	Very high	125 Å²	125	61.6 Å²	61.6	67%	0.668	31%	0.314	S	S	*	.	H	α-helix	trans	-71.9	-37.6	-179.2	-43.7	-61.8	0	0	0	112.1	S676 I680 A681 S682	S676-D678 PolarHBondContact O-N 3.24Å; S676-D678 PolarHBondContact OG-N 3.1Å; D678-I680 VanDerWaalsContact C-N 3.3Å; D678-I680 PolarHBondContact O-N 2.82Å; D678-A681 PolarHBondContact O-N 3.27Å; D678-S682 PolarHBondContact O-N 3.37Å
679	Q	94.8	Very high	93.6	Very high	71 Å²	71	62.3 Å²	62.3	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-66.2	-31.2	172.5	-74.1	177	-34.8	0	0	112.3	L76 L675 S676 S682 L683	L76-Q679 HydrophobicContact CD1-CB 4.11Å; L76-Q679 HydrophobicContact CD1-CG 4.48Å; L76-Q679 HydrophobicContact CD2-CG 4.31Å; L675-Q679 HydrophobicContact CB-CB 3.92Å; L675-Q679 HydrophobicContact CD2-CB 4.13Å; L675-Q679 HydrophobicContact CG-CB 4.43Å; S676-Q679 PolarHBondContact O-N 3.13Å; S676-Q679 WeakPolarHBondContact OG-CG 3.34Å; S676-Q679 PolarHBondContact OG-N 3.07Å; Q679-S682 PolarHBondContact O-OG 3.22Å; Q679-L683 WeakPolarHBondContact O-CG 3.43Å
680	I	96.3	Very high	94.4	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	31%	0.308	C	S	.	.	H	α-helix	trans	-74.5	-39.7	173.1	-64.6	161.4	0	0	0	110.4	V35 F43 C45 L675 S676 S677 D678 S682 L683 L685	V35-I680 HydrophobicContact CG1-CG2 3.65Å; V35-I680 HydrophobicContact CG2-CG2 4.46Å; F43-I680 HydrophobicContact CB-CB 3.93Å; F43-I680 HydrophobicContact CB-CD1 3.87Å; F43-I680 HydrophobicContact CB-CG2 3.63Å; F43-I680 HydrophobicContact CD1-CG2 4.2Å; F43-I680 HydrophobicContact CD2-CB 4.46Å; F43-I680 HydrophobicContact CD2-CG2 4.19Å; F43-I680 HydrophobicContact CG-CB 4.31Å; F43-I680 HydrophobicContact CG-CG2 3.75Å; C45-I680 HydrophobicContact CB-CD1 3.79Å; L675-I680 HydrophobicContact CB-CD1 4.33Å; L675-I680 HydrophobicContact CB-CG1 3.75Å; L675-I680 HydrophobicContact CD1-CG1 4.42Å; S676-I680 VanDerWaalsContact O-CG1 3.29Å; S676-I680 WeakPolarHBondContact O-CG1 3.45Å; S676-I680 PolarHBondContact O-N 3.42Å; S677-I680 PolarHBondContact O-N 3.42Å; D678-I680 VanDerWaalsContact C-N 3.3Å; D678-I680 PolarHBondContact O-N 2.82Å; I680-S682 VanDerWaalsContact C-N 3.32Å; I680-S682 PolarHBondContact O-N 3.15Å; I680-L683 WeakPolarHBondContact O-CB 3.49Å; I680-L683 PolarHBondContact O-N 2.85Å; I680-L685 HydrophobicContact CG2-CD1 4.13Å
681	A	95.3	Very high	94.9	Very high	50 Å²	50	61.4 Å²	61.4	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-36.8	177.5	0	0	0	0	0	112.4	F43 S677 D678 L683 K684	F43-A681 HydrophobicContact CD2-CB 4.29Å; F43-A681 HydrophobicContact CE2-CB 3.98Å; S677-A681 WeakPolarHBondContact O-CB 3.19Å; S677-A681 PolarHBondContact O-N 2.88Å; D678-A681 PolarHBondContact O-N 3.27Å; A681-L683 VanDerWaalsContact C-N 3.26Å; A681-L683 PolarHBondContact O-N 3.03Å; A681-K684 PolarHBondContact O-N 3.49Å
682	S	94.9	Very high	95.4	Very high	69 Å²	69	58.6 Å²	58.6	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-22.4	177.4	70.5	0	0	0	0	113.9	D678 Q679 I680 K684	D678-S682 PolarHBondContact O-N 3.37Å; Q679-S682 PolarHBondContact O-OG 3.22Å; I680-S682 VanDerWaalsContact C-N 3.32Å; I680-S682 PolarHBondContact O-N 3.15Å; S682-K684 PolarHBondContact O-N 3.47Å
683	L	94.7	Very high	95.6	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.5	173.2	-53.6	-176.7	0	0	0	113.6	I69 V74 L76 L675 Q679 I680 A681 L685	I69-L683 HydrophobicContact CD1-CB 3.99Å; I69-L683 HydrophobicContact CD1-CD1 3.83Å; I69-L683 HydrophobicContact CD1-CD2 3.72Å; I69-L683 HydrophobicContact CD1-CG 4.03Å; V74-L683 HydrophobicContact CB-CD2 4.35Å; V74-L683 HydrophobicContact CG1-CD2 4.27Å; V74-L683 HydrophobicContact CG2-CD2 4.2Å; L76-L683 HydrophobicContact CD1-CD2 3.77Å; L675-L683 HydrophobicContact CD1-CD1 4.01Å; Q679-L683 WeakPolarHBondContact O-CG 3.43Å; I680-L683 WeakPolarHBondContact O-CB 3.49Å; I680-L683 PolarHBondContact O-N 2.85Å; A681-L683 VanDerWaalsContact C-N 3.26Å; A681-L683 PolarHBondContact O-N 3.03Å; L683-L685 VanDerWaalsContact C-N 3.26Å; L683-L685 HydrophobicContact CB-CD2 4.08Å; L683-L685 HydrophobicContact CB-CG 3.95Å; L683-L685 HydrophobicContact CD1-CD1 4.38Å; L683-L685 HydrophobicContact CD1-CD2 4.38Å; L683-L685 HydrophobicContact CD1-CG 4.43Å; L683-L685 PolarHBondContact O-N 3.42Å
684	K	94.3	Very high	95.7	Very high	178 Å²	178	55.5 Å²	55.5	77%	0.774	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.9	179.7	-60	165.1	-170	164.8	0	113.4	A681 S682	A681-K684 PolarHBondContact O-N 3.49Å; S682-K684 PolarHBondContact O-N 3.47Å
685	L	96.7	Very high	95.6	Very high	23 Å²	23	52 Å²	52	12%	0.12	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-56.3	139	179.6	-61.8	175.6	0	0	0	111.9	V35 I69 I680 L683 N690 I710 L712	V35-L685 HydrophobicContact CB-CD1 4.23Å; V35-L685 HydrophobicContact CG1-CD1 4.27Å; V35-L685 HydrophobicContact CG2-CD1 3.87Å; I69-L685 HydrophobicContact CD1-CD2 4.46Å; I69-L685 HydrophobicContact CG2-CD2 4.08Å; I680-L685 HydrophobicContact CG2-CD1 4.13Å; L683-L685 VanDerWaalsContact C-N 3.26Å; L683-L685 HydrophobicContact CB-CD2 4.08Å; L683-L685 HydrophobicContact CB-CG 3.95Å; L683-L685 HydrophobicContact CD1-CD1 4.38Å; L683-L685 HydrophobicContact CD1-CD2 4.38Å; L683-L685 HydrophobicContact CD1-CG 4.43Å; L683-L685 PolarHBondContact O-N 3.42Å; L685-N690 HydrophobicContact CD2-CB 4.07Å; L685-I710 HydrophobicContact CD1-CG2 3.79Å; L685-I710 HydrophobicContact CD2-CB 4.35Å; L685-I710 HydrophobicContact CD2-CD1 4.34Å; L685-I710 HydrophobicContact CD2-CG2 4.13Å; L685-L712 HydrophobicContact CB-CB 4.45Å; L685-L712 HydrophobicContact CB-CD2 3.95Å
686	R	96.6	Very high	95.4	Very high	155 Å²	155	51.2 Å²	51.2	59%	0.585	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-83.7	150	172.7	-54.1	172.1	-172.5	161.3	4.6	109.2	G688 N690 L712	R686-G688 PolarHBondContact O-N 3.39Å; R686-N690 WeakPolarHBondContact CB-OD1 3.19Å; R686-N690 PolarHBondContact N-OD1 2.95Å; R686-N690 PolarHBondContact O-ND2 2.82Å; R686-L712 WeakPolarHBondContact O-CB 3.4Å
687	D	95.4	Very high	94.9	Very high	106 Å²	106	52.6 Å²	52.6	57%	0.567	28%	0.283	S	S	*	.	S	Bend	trans	-62.5	130.5	175	-71.5	-11.6	0	0	0	110.5	R37 L712	R37-D687 IonicContact CZ-OD1 2.58Å; R37-D687 VanDerWaalsContact CZ-OD1 3.24Å; R37-D687 IonicContact NH1-OD1 3.95Å; R37-D687 PolarHBondContact NH1-OD1 3.21Å; R37-D687 IonicContact NH1-OD2 2.67Å; R37-D687 IonicContact NH2-OD1 3.6Å; R37-D687 PolarHBondContact NH2-OD1 3.36Å; D687-L712 WeakPolarHBondContact OD1-CD2 3.46Å
688	G	95.3	Very high	94.2	Very high	8 Å²	8	51.5 Å²	51.5	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.5	-149.7	-171.7	0	0	0	0	0	113.3	R686 N690 Y711 L712	R686-G688 PolarHBondContact O-N 3.39Å; G688-N690 PolarHBondContact O-ND2 3.45Å; G688-Y711 CarbonylContact O-C 3.59Å; G688-Y711 WeakPolarHBondContact O-CA 3.38Å; G688-L712 PolarHBondContact N-O 3.26Å; G688-L712 PolarHBondContact O-N 3.03Å
689	P	97.1	Very high	93.1	Very high	57 Å²	57	51.2 Å²	51.2	37%	0.37	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.5	-176.5	30.8	-35.2	0	0	0	112.6	T709 Y711	P689-T709 HydrophobicContact CB-CG2 3.61Å; P689-Y711 HydrophobicContact CB-CD1 4.12Å; P689-Y711 HydrophobicContact CB-CE1 3.85Å
690	N	98.1	Very high	91.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.9	170	-61.7	-100.6	0	0	0	107.7	I69 N70 L685 R686 G688 T709 I710	I69-N690 HydrophobicContact CG2-CB 4.34Å; N70-N690 PolarHBondContact ND2-OD1 2.86Å; N70-N690 WeakPolarHBondContact OD1-CA 3.48Å; L685-N690 HydrophobicContact CD2-CB 4.07Å; R686-N690 WeakPolarHBondContact CB-OD1 3.19Å; R686-N690 PolarHBondContact N-OD1 2.95Å; R686-N690 PolarHBondContact O-ND2 2.82Å; G688-N690 PolarHBondContact O-ND2 3.45Å; N690-T709 CarbonylContact O-C 3.48Å; N690-T709 WeakPolarHBondContact O-CA 3.35Å; N690-T709 WeakPolarHBondContact O-CG2 3.27Å; N690-I710 HydrophobicContact CB-CB 4.42Å; N690-I710 WeakPolarHBondContact CB-O 3.31Å; N690-I710 PolarHBondContact N-O 3.01Å; N690-I710 PolarHBondContact ND2-O 2.89Å; N690-I710 PolarHBondContact O-N 3.46Å
691	D	97.4	Very high	90.6	Very high	102 Å²	102	61.3 Å²	61.3	55%	0.545	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.8	179	-57.4	-45.4	0	0	0	110.1	I69 N70	I69-D691 CarbonylContact C-O 3.59Å; I69-D691 WeakPolarHBondContact CA-O 3.08Å; N70-D691 PolarHBondContact N-O 3.29Å; N70-D691 PolarHBondContact OD1-N 3.16Å
692	V	97.3	Very high	89.9	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.4	176	59.7	0	0	0	0	111.1	I67 E68 I69 F694 E707 G708 I710	I67-V692 HydrophobicContact CG2-CG2 3.81Å; E68-V692 WeakPolarHBondContact O-CA 3.28Å; I69-V692 HydrophobicContact CG1-CB 4.41Å; I69-V692 HydrophobicContact CG1-CG2 4.06Å; V692-F694 HydrophobicContact CB-CE2 4.39Å; V692-F694 HydrophobicContact CB-CZ 4.48Å; V692-F694 HydrophobicContact CG1-CE2 3.78Å; V692-F694 HydrophobicContact CG1-CZ 4.09Å; V692-F694 HydrophobicContact CG2-CD2 4.35Å; V692-F694 HydrophobicContact CG2-CE1 4.02Å; V692-F694 HydrophobicContact CG2-CE2 3.72Å; V692-F694 HydrophobicContact CG2-CZ 3.52Å; V692-E707 WeakPolarHBondContact O-CA 3.38Å; V692-G708 WeakPolarHBondContact CG1-O 3.38Å; V692-G708 PolarHBondContact N-O 3.2Å; V692-G708 PolarHBondContact O-N 3.4Å; V692-I710 HydrophobicContact CB-CD1 3.99Å; V692-I710 HydrophobicContact CB-CG1 3.96Å; V692-I710 HydrophobicContact CG1-CD1 4.13Å; V692-I710 HydrophobicContact CG1-CG1 3.64Å; V692-I710 HydrophobicContact CG2-CD1 4.2Å
693	T	96.3	Very high	89.4	Confident	24 Å²	24	61.1 Å²	61.1	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	175.2	-50.8	0	0	0	0	109	E68 R705 E707	E68-T693 PolarHBondContact N-O 3.48Å; E68-T693 PolarHBondContact O-N 2.85Å; T693-R705 HydrophobicContact CG2-CB 4.17Å; T693-R705 HydrophobicContact CG2-CG 3.96Å; T693-E707 HydrophobicContact CG2-CG 4.2Å
694	F	95.1	Very high	88.9	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.009	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.5	169.3	-56.2	-83.3	0	0	0	108.2	C30 F48 V50 F52 I65 I67 M78 V692 R705 C706	C30-F694 HydrophobicContact CB-CD2 4.25Å; C30-F694 HydrophobicContact CB-CE2 4.25Å; F48-F694 HydrophobicContact CD1-CE1 4.26Å; F48-F694 HydrophobicContact CD1-CZ 4Å; F48-F694 HydrophobicContact CE1-CZ 4.45Å; V50-F694 HydrophobicContact CB-CD2 4.47Å; V50-F694 HydrophobicContact CB-CG 4.42Å; V50-F694 HydrophobicContact CG1-CB 3.87Å; V50-F694 HydrophobicContact CG1-CD1 4.32Å; V50-F694 HydrophobicContact CG1-CD2 3.95Å; V50-F694 HydrophobicContact CG1-CG 3.77Å; V50-F694 HydrophobicContact CG2-CD1 3.83Å; V50-F694 HydrophobicContact CG2-CD2 3.64Å; V50-F694 HydrophobicContact CG2-CE1 3.7Å; V50-F694 HydrophobicContact CG2-CE2 3.49Å; V50-F694 VanDerWaalsContact CG2-CE2 3.49Å; V50-F694 HydrophobicContact CG2-CG 3.81Å; V50-F694 HydrophobicContact CG2-CZ 3.53Å; F52-F694 HydrophobicContact CE2-CB 4.47Å; F52-F694 HydrophobicContact CZ-CB 3.98Å; I65-F694 HydrophobicContact CG2-CB 4.12Å; I67-F694 HydrophobicContact CD1-CD1 4.36Å; I67-F694 HydrophobicContact CD1-CE1 4.1Å; I67-F694 HydrophobicContact CG1-CD1 4Å; I67-F694 HydrophobicContact CG1-CE1 4.18Å; I67-F694 HydrophobicContact CG2-CD1 4.48Å; I67-F694 HydrophobicContact CG2-CE1 4.26Å; M78-F694 HydrophobicContact SD-CD1 3.98Å; M78-F694 HydrophobicContact SD-CE1 3.85Å; V692-F694 HydrophobicContact CB-CE2 4.39Å; V692-F694 HydrophobicContact CB-CZ 4.48Å; V692-F694 HydrophobicContact CG1-CE2 3.78Å; V692-F694 HydrophobicContact CG1-CZ 4.09Å; V692-F694 HydrophobicContact CG2-CD2 4.35Å; V692-F694 HydrophobicContact CG2-CE1 4.02Å; V692-F694 HydrophobicContact CG2-CE2 3.72Å; V692-F694 HydrophobicContact CG2-CZ 3.52Å; F694-R705 CarbonylContact O-C 3.48Å; F694-R705 WeakPolarHBondContact O-CA 3.32Å; F694-C706 PolarHBondContact N-O 3.02Å; F694-C706 PolarHBondContact O-N 3.08Å
695	S	92.4	Very high	88.7	Confident	8 Å²	8	60 Å²	60	6%	0.056	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.2	-179.7	87.5	0	0	0	0	112.5	I65 D66 C704	I65-S695 CarbonylContact C-O 3.55Å; I65-S695 VanDerWaalsContact CA-O 3.31Å; I65-S695 WeakPolarHBondContact CA-O 3.35Å; I65-S695 WeakPolarHBondContact CG2-O 3.37Å; D66-S695 PolarHBondContact N-O 2.86Å; D66-S695 PolarHBondContact O-N 2.91Å; S695-C704 WeakPolarHBondContact CA-O 3.48Å
696	I	89.3	Confident	88.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	120	176.3	-171.7	169.6	0	0	0	109.6	F52 L55 L58 E62 I65 L80 T698 T703 C704	F52-I696 HydrophobicContact CD1-CG2 3.49Å; F52-I696 VanDerWaalsContact CD1-CG2 3.49Å; F52-I696 HydrophobicContact CD2-CG2 4.27Å; F52-I696 HydrophobicContact CE1-CB 4.33Å; F52-I696 HydrophobicContact CE1-CG2 3.5Å; F52-I696 HydrophobicContact CE2-CG2 4.28Å; F52-I696 HydrophobicContact CG-CG2 3.88Å; F52-I696 HydrophobicContact CZ-CB 4.27Å; F52-I696 HydrophobicContact CZ-CG2 3.91Å; L55-I696 HydrophobicContact CD1-CD1 4.14Å; L55-I696 HydrophobicContact CD1-CG2 4.18Å; L55-I696 HydrophobicContact CD2-CG2 4.47Å; L58-I696 HydrophobicContact CD1-CD1 4.39Å; E62-I696 WeakPolarHBondContact O-CD1 3.45Å; I65-I696 HydrophobicContact CG1-CB 4.27Å; I65-I696 HydrophobicContact CG1-CD1 4.02Å; I65-I696 HydrophobicContact CG1-CG1 4.37Å; L80-I696 HydrophobicContact CB-CD1 4.02Å; L80-I696 HydrophobicContact CD1-CD1 4.25Å; L80-I696 HydrophobicContact CD2-CD1 3.79Å; L80-I696 HydrophobicContact CG-CD1 4.23Å; I696-T698 HydrophobicContact CG1-CG2 4.21Å; I696-T703 WeakPolarHBondContact O-CA 3.32Å; I696-C704 HydrophobicContact CG2-CB 3.92Å; I696-C704 PolarHBondContact N-O 3.25Å; I696-C704 PolarHBondContact O-N 2.94Å
697	T	85.7	Confident	88.2	Confident	76 Å²	76	57.3 Å²	57.3	47%	0.466	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.7	-177.8	-61.6	0	0	0	0	111	T703	T697-T703 WeakPolarHBondContact OG1-CG2 3.32Å; T697-T703 PolarHBondContact OG1-OG1 2.87Å
698	T	80.1	Confident	88.2	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.8	-174	73.4	0	0	0	0	111.5	L55 L58 I696 Y700 Q701 G702	L55-T698 HydrophobicContact CD2-CG2 3.96Å; L58-T698 HydrophobicContact CD2-CG2 3.54Å; I696-T698 HydrophobicContact CG1-CG2 4.21Å; T698-Y700 PolarHBondContact O-N 3.36Å; T698-Q701 PolarHBondContact OG1-N 2.96Å; T698-G702 PolarHBondContact N-O 2.8Å; T698-G702 WeakPolarHBondContact O-CA 3.49Å; T698-G702 PolarHBondContact O-N 2.9Å; T698-G702 VanDerWaalsContact O-N 3.11Å; T698-G702 PolarHBondContact OG1-O 3.39Å; T698-G702 VanDerWaalsContact OG1-O 3.06Å
699	Q	72.5	Confident	88.3	Confident	119 Å²	119	52.6 Å²	52.6	56%	0.556	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.6	-176.1	-69.4	-177.4	2.4	0	0	114.3	E62	E62-Q699 HydrophobicContact CG-CG 4.49Å; E62-Q699 WeakPolarHBondContact OE1-CG 3.46Å; E62-Q699 PolarHBondContact OE1-NE2 2.68Å; E62-Q699 PolarHBondContact OE1-OE1 3.18Å
700	Y	68.8	Low	88.4	Confident	166 Å²	166	49.9 Å²	49.9	65%	0.651	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-18.4	-171.2	-61.5	-71	0	0	0	114.6	T698	T698-Y700 PolarHBondContact O-N 3.36Å
701	Q	69.6	Low	88.4	Confident	120 Å²	120	50.3 Å²	50.3	56%	0.561	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.3	5.6	-179.3	-64.8	179.9	-23.5	0	0	112.4	T698	T698-Q701 PolarHBondContact OG1-N 2.96Å
702	G	79.8	Confident	88.4	Confident	37 Å²	37	45.7 Å²	45.7	38%	0.381	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.6	-152.6	-175.3	0	0	0	0	0	112	T698	T698-G702 PolarHBondContact N-O 2.8Å; T698-G702 WeakPolarHBondContact O-CA 3.49Å; T698-G702 PolarHBondContact O-N 2.9Å; T698-G702 VanDerWaalsContact O-N 3.11Å; T698-G702 PolarHBondContact OG1-O 3.39Å; T698-G702 VanDerWaalsContact OG1-O 3.06Å
703	T	84.7	Confident	88.4	Confident	77 Å²	77	45.8 Å²	45.8	47%	0.472	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.5	176.5	-52.4	0	0	0	0	110.5	I696 T697 R705	I696-T703 WeakPolarHBondContact O-CA 3.32Å; T697-T703 WeakPolarHBondContact OG1-CG2 3.32Å; T697-T703 PolarHBondContact OG1-OG1 2.87Å; T703-R705 HydrophobicContact CG2-CG 4.36Å
704	C	85.5	Confident	88.4	Confident	35 Å²	35	46.8 Å²	46.8	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136	166.4	-171.8	0	0	0	0	108.7	S28 F52 L55 S695 I696	S28-C704 PolarHBondContact OG-SG 2.67Å; F52-C704 HydrophobicContact CD1-CB 4.22Å; F52-C704 HydrophobicContact CE1-CB 4.44Å; L55-C704 HydrophobicContact CD2-CB 4.38Å; S695-C704 WeakPolarHBondContact CA-O 3.48Å; I696-C704 HydrophobicContact CG2-CB 3.92Å; I696-C704 PolarHBondContact N-O 3.25Å; I696-C704 PolarHBondContact O-N 2.94Å
705	R	89.6	Confident	88.4	Confident	134 Å²	134	51 Å²	51	51%	0.506	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.5	175.3	-79.8	179.5	164.2	174.2	-9.7	110.4	E68 T693 F694 T703	E68-R705 IonicContact OE1-CZ 3.59Å; E68-R705 IonicContact OE1-NH2 2.72Å; E68-R705 PolarHBondContact OE1-NH2 3.24Å; E68-R705 IonicContact OE2-CZ 2.69Å; E68-R705 IonicContact OE2-NH2 3.24Å; E68-R705 PolarHBondContact OE2-NH2 2.88Å; T693-R705 HydrophobicContact CG2-CB 4.17Å; T693-R705 HydrophobicContact CG2-CG 3.96Å; F694-R705 CarbonylContact O-C 3.48Å; F694-R705 WeakPolarHBondContact O-CA 3.32Å; T703-R705 HydrophobicContact CG2-CG 4.36Å
706	C	89.6	Confident	88.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.5	172.3	-177	0	0	0	0	108.8	G29 C30 F52 F694	G29-C706 WeakPolarHBondContact CA-SG 3.36Å; C30-C706 PolarHBondContact N-SG 2.9Å; F52-C706 HydrophobicContact CE1-CB 4.19Å; F52-C706 HydrophobicContact CZ-CB 4.48Å; F694-C706 PolarHBondContact N-O 3.02Å; F694-C706 PolarHBondContact O-N 3.08Å
707	E	92.9	Very high	88.7	Confident	120 Å²	120	54 Å²	54	56%	0.561	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	145.1	-167.3	-68	168.2	-165.6	0	0	110.7	C30 V692 T693 R779	C30-E707 PolarHBondContact SG-O 3.24Å; V692-E707 WeakPolarHBondContact O-CA 3.38Å; T693-E707 HydrophobicContact CG2-CG 4.2Å; E707-R779 PolarHBondContact O-NH1 3.07Å; E707-R779 PolarHBondContact O-NH2 3.34Å
708	G	95.1	Very high	89.1	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-169.7	176.7	0	0	0	0	0	111.8	V692	V692-G708 WeakPolarHBondContact CG1-O 3.38Å; V692-G708 PolarHBondContact N-O 3.2Å; V692-G708 PolarHBondContact O-N 3.4Å
709	T	97.6	Very high	90	Very high	10 Å²	10	52.3 Å²	52.3	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.3	-175	-49.3	0	0	0	0	111.8	D32 V33 P689 N690 Y711	D32-T709 WeakPolarHBondContact CA-O 3.4Å; D32-T709 WeakPolarHBondContact CB-O 3.37Å; D32-T709 PolarHBondContact OD1-N 2.91Å; D32-T709 VanDerWaalsContact OD1-N 3.12Å; V33-T709 PolarHBondContact N-O 2.9Å; P689-T709 HydrophobicContact CB-CG2 3.61Å; N690-T709 CarbonylContact O-C 3.48Å; N690-T709 WeakPolarHBondContact O-CA 3.35Å; N690-T709 WeakPolarHBondContact O-CG2 3.27Å; T709-Y711 HydrophobicContact CG2-CD2 3.88Å; T709-Y711 HydrophobicContact CG2-CE1 4.28Å; T709-Y711 HydrophobicContact CG2-CE2 3.46Å; T709-Y711 VanDerWaalsContact CG2-CE2 3.46Å; T709-Y711 HydrophobicContact CG2-CG 4.47Å
710	I	98.3	Very high	91.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.8	170.5	-49.9	-178.1	0	0	0	108.6	V33 V35 F48 I69 L685 N690 V692	V33-I710 HydrophobicContact CB-CG1 4.27Å; V33-I710 HydrophobicContact CB-CG2 4.25Å; V33-I710 HydrophobicContact CG1-CG2 4.3Å; V33-I710 CarbonylContact O-C 3.5Å; V33-I710 WeakPolarHBondContact O-CA 3.38Å; V35-I710 HydrophobicContact CG2-CG2 3.62Å; F48-I710 HydrophobicContact CE1-CD1 4.07Å; F48-I710 HydrophobicContact CZ-CD1 4.32Å; I69-I710 HydrophobicContact CD1-CD1 3.97Å; L685-I710 HydrophobicContact CD1-CG2 3.79Å; L685-I710 HydrophobicContact CD2-CB 4.35Å; L685-I710 HydrophobicContact CD2-CD1 4.34Å; L685-I710 HydrophobicContact CD2-CG2 4.13Å; N690-I710 HydrophobicContact CB-CB 4.42Å; N690-I710 WeakPolarHBondContact CB-O 3.31Å; N690-I710 PolarHBondContact N-O 3.01Å; N690-I710 PolarHBondContact ND2-O 2.89Å; N690-I710 PolarHBondContact O-N 3.46Å; V692-I710 HydrophobicContact CB-CD1 3.99Å; V692-I710 HydrophobicContact CB-CG1 3.96Å; V692-I710 HydrophobicContact CG1-CD1 4.13Å; V692-I710 HydrophobicContact CG1-CG1 3.64Å; V692-I710 HydrophobicContact CG2-CD1 4.2Å
711	Y	98.3	Very high	92.6	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.2	179.9	-70.3	-95.1	0	0	0	110.7	D32 V33 V35 G688 P689 T709 Q794 G795 P796	D32-Y711 HydrophobicContact CB-CD2 4.49Å; D32-Y711 HydrophobicContact CB-CE2 4.26Å; V33-Y711 PolarHBondContact O-N 3.48Å; V35-Y711 PolarHBondContact N-O 3.37Å; G688-Y711 CarbonylContact O-C 3.59Å; G688-Y711 WeakPolarHBondContact O-CA 3.38Å; P689-Y711 HydrophobicContact CB-CD1 4.12Å; P689-Y711 HydrophobicContact CB-CE1 3.85Å; T709-Y711 HydrophobicContact CG2-CD2 3.88Å; T709-Y711 HydrophobicContact CG2-CE1 4.28Å; T709-Y711 HydrophobicContact CG2-CE2 3.46Å; T709-Y711 VanDerWaalsContact CG2-CE2 3.46Å; T709-Y711 HydrophobicContact CG2-CG 4.47Å; Y711-Q794 HydrophobicContact CE1-CB 4.49Å; Y711-G795 VanDerWaalsContact OH-C 3.32Å; Y711-G795 PolarHBondContact OH-N 3.48Å; Y711-G795 PolarHBondContact OH-O 2.97Å; Y711-P796 HydrophobicContact CD2-CB 3.62Å; Y711-P796 HydrophobicContact CD2-CG 4.04Å; Y711-P796 VanDerWaalsContact CE2-CA 3.42Å; Y711-P796 HydrophobicContact CE2-CB 3.85Å; Y711-P796 HydrophobicContact CE2-CG 4.43Å; Y711-P796 HydrophobicContact CG-CB 4.34Å; Y711-P796 HydrophobicContact CG-CG 4.28Å
712	L	98	Very high	93.9	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.1	171.6	-176.9	60.5	0	0	0	110.5	V35 F43 L685 R686 D687 G688	V35-L712 HydrophobicContact CB-CD1 4.02Å; V35-L712 HydrophobicContact CG1-CD1 3.6Å; V35-L712 WeakPolarHBondContact O-CA 3.33Å; F43-L712 HydrophobicContact CD1-CD1 4.12Å; F43-L712 HydrophobicContact CE1-CD1 4.03Å; L685-L712 HydrophobicContact CB-CB 4.45Å; L685-L712 HydrophobicContact CB-CD2 3.95Å; R686-L712 WeakPolarHBondContact O-CB 3.4Å; D687-L712 WeakPolarHBondContact OD1-CD2 3.46Å; G688-L712 PolarHBondContact N-O 3.26Å; G688-L712 PolarHBondContact O-N 3.03Å
713	W	97.3	Very high	94.6	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	168	177.8	-65.3	-17.5	0	0	0	111	I34 V35 V36 R37 V719 R763 P796 F832	I34-W713 HydrophobicContact CD1-CH2 4.47Å; I34-W713 HydrophobicContact CD1-CZ3 4.07Å; I34-W713 HydrophobicContact CG2-CD2 4.27Å; I34-W713 HydrophobicContact CG2-CE3 3.59Å; I34-W713 HydrophobicContact CG2-CZ3 3.89Å; V35-W713 PolarHBondContact O-N 3.31Å; V36-W713 WeakPolarHBondContact CA-O 3.42Å; R37-W713 PolarHBondContact N-O 3.46Å; W713-V719 HydrophobicContact CE3-CG2 4.3Å; W713-V719 HydrophobicContact CZ3-CG1 4.45Å; W713-V719 HydrophobicContact CZ3-CG2 3.85Å; W713-R763 HydrophobicContact CD2-CB 4.4Å; W713-R763 HydrophobicContact CD2-CG 4.17Å; W713-R763 HydrophobicContact CG-CG 4.43Å; W713-R763 HydrophobicContact CH2-CB 3.99Å; W713-R763 HydrophobicContact CZ2-CB 3.72Å; W713-R763 HydrophobicContact CZ2-CG 4.24Å; W713-R763 HydrophobicContact CZ3-CB 4.45Å; W713-P796 HydrophobicContact CH2-CG 3.51Å; W713-P796 HydrophobicContact CZ2-CG 3.77Å; W713-P796 HydrophobicContact CZ3-CG 4.33Å; W713-F832 HydrophobicContact CE3-CE1 4.43Å; W713-F832 AromaticContact CE3-CZ 3.83Å; W713-F832 HydrophobicContact CE3-CZ 3.83Å; W713-F832 HydrophobicContact CZ3-CZ 4.2Å
714	N	95.6	Very high	94.9	Very high	45 Å²	45	27.9 Å²	27.9	24%	0.241	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	152.9	173.8	-59.7	-60.8	0	0	0	110.8	R37 D716 D717	R37-N714 PolarHBondContact NH1-OD1 2.9Å; R37-N714 VanDerWaalsContact NH1-OD1 3.13Å; N714-D716 VanDerWaalsContact CB-OD1 3.3Å; N714-D716 WeakPolarHBondContact CB-OD1 3.35Å; N714-D716 PolarHBondContact O-N 3.39Å; N714-D716 VanDerWaalsContact O-N 3.1Å; N714-D717 WeakPolarHBondContact O-CB 3.3Å; N714-D717 PolarHBondContact O-N 3.45Å
715	W	95.3	Very high	95	Very high	91 Å²	91	26.9 Å²	26.9	35%	0.345	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.8	179	69.8	-85.6	0	0	0	114.5	V36 R37 P39 P834 N835	V36-W715 HydrophobicContact CG1-CB 4.14Å; R37-W715 PolarHBondContact O-N 3.05Å; P39-W715 HydrophobicContact CG-CD2 3.78Å; P39-W715 HydrophobicContact CG-CE3 4.42Å; P39-W715 HydrophobicContact CG-CG 3.84Å; P39-W715 HydrophobicContact CG-CZ2 4.4Å; W715-P834 HydrophobicContact CE3-CG 4.43Å; W715-P834 HydrophobicContact CZ3-CG 4.42Å; W715-N835 HydrophobicContact CE3-CB 3.82Å; W715-N835 HydrophobicContact CZ3-CB 4.13Å; W715-N835 WeakPolarHBondContact O-CB 3.19Å; W715-N835 PolarHBondContact O-ND2 3.39Å
716	D	93.4	Very high	94.9	Very high	63 Å²	63	20.7 Å²	20.7	34%	0.337	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.9	179.6	83.1	-68.6	0	0	0	113.6	N714 K718 R898	N714-D716 VanDerWaalsContact CB-OD1 3.3Å; N714-D716 WeakPolarHBondContact CB-OD1 3.35Å; N714-D716 PolarHBondContact O-N 3.39Å; N714-D716 VanDerWaalsContact O-N 3.1Å; D716-K718 PolarHBondContact O-NZ 2.86Å; D716-R898 PolarHBondContact O-NH2 3.09Å; D716-R898 IonicContact OD2-NH2 3.75Å; D716-R898 PolarHBondContact OD2-NH2 2.69Å
717	D	94.3	Very high	94.9	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.037	10%	0.099	C	C	.	.			trans	-58.8	154.1	-178.4	-94.2	-28.3	0	0	0	112	N714 R763 R898	N714-D717 WeakPolarHBondContact O-CB 3.3Å; N714-D717 PolarHBondContact O-N 3.45Å; D717-R763 HydrophobicContact CB-CG 4.06Å; D717-R763 IonicContact OD1-NE 3.42Å; D717-R763 IonicContact OD2-CZ 3.39Å; D717-R763 IonicContact OD2-NE 3.96Å; D717-R763 PolarHBondContact OD2-NE 3.27Å; D717-R763 IonicContact OD2-NH2 2.74Å; D717-R763 PolarHBondContact OD2-NH2 3.11Å; D717-R898 IonicContact OD1-CZ 2.68Å; D717-R898 IonicContact OD1-NH1 3.51Å; D717-R898 PolarHBondContact OD1-NH1 2.71Å; D717-R898 IonicContact OD1-NH2 2.81Å; D717-R898 PolarHBondContact OD1-NH2 3.35Å
718	K	95.4	Very high	94.8	Very high	48 Å²	48	14.9 Å²	14.9	21%	0.209	7%	0.072	C	C	.	.			trans	-119.7	120.9	-178.8	-66.1	-69.9	156	-65.6	0	109.7	D716 Y762 R763 N835 P838	D716-K718 PolarHBondContact O-NZ 2.86Å; K718-Y762 HydrophobicContact CB-CD1 3.74Å; K718-Y762 HydrophobicContact CB-CE1 3.89Å; K718-R763 PolarHBondContact O-N 3.08Å; K718-N835 PolarHBondContact NZ-ND2 2.71Å; K718-P838 WeakPolarHBondContact CA-O 3.48Å
719	V	97.6	Very high	94.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.9	-165.6	-179.9	0	0	0	0	110.4	W713 R763 L765 F832 P838 F839 Y840	W713-V719 HydrophobicContact CE3-CG2 4.3Å; W713-V719 HydrophobicContact CZ3-CG1 4.45Å; W713-V719 HydrophobicContact CZ3-CG2 3.85Å; V719-R763 CarbonylContact C-O 3.59Å; V719-R763 WeakPolarHBondContact CA-O 3.17Å; V719-R763 HydrophobicContact CG2-CB 4.37Å; V719-L765 HydrophobicContact CG1-CB 3.5Å; V719-L765 VanDerWaalsContact CG1-CB 3.5Å; V719-L765 HydrophobicContact CG1-CD2 4.01Å; V719-L765 HydrophobicContact CG1-CG 4.41Å; V719-F832 HydrophobicContact CG2-CE1 4.18Å; V719-F832 HydrophobicContact CG2-CE2 4.46Å; V719-F832 HydrophobicContact CG2-CZ 3.69Å; V719-P838 PolarHBondContact N-O 3.36Å; V719-F839 HydrophobicContact CB-CD1 3.91Å; V719-F839 HydrophobicContact CB-CE1 4.39Å; V719-F839 HydrophobicContact CG1-CD1 3.91Å; V719-F839 HydrophobicContact CG1-CE1 4.08Å; V719-F839 WeakPolarHBondContact O-CA 3.09Å; V719-Y840 PolarHBondContact O-N 2.95Å
720	I	98.4	Very high	93.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.5	174.2	-50.4	-63.2	0	0	0	107.6	V757 Y762 R763 F764 L765 Y840 A841 F843 F895	I720-V757 HydrophobicContact CD1-CG1 4.14Å; I720-V757 HydrophobicContact CG1-CG1 3.83Å; I720-Y762 HydrophobicContact CD1-CD1 3.86Å; I720-Y762 HydrophobicContact CD1-CG 4.22Å; I720-Y762 HydrophobicContact CG1-CD1 4.37Å; I720-Y762 HydrophobicContact CG1-CG 4.37Å; I720-R763 PolarHBondContact N-O 3.33Å; I720-F764 HydrophobicContact CB-CD1 4.07Å; I720-F764 HydrophobicContact CB-CE1 3.89Å; I720-F764 HydrophobicContact CB-CE2 4.49Å; I720-F764 HydrophobicContact CB-CG 4.45Å; I720-F764 HydrophobicContact CB-CZ 4.11Å; I720-F764 HydrophobicContact CG1-CE2 4.4Å; I720-F764 HydrophobicContact CG1-CZ 4.26Å; I720-F764 HydrophobicContact CG2-CD1 4.1Å; I720-F764 HydrophobicContact CG2-CE1 3.56Å; I720-F764 HydrophobicContact CG2-CZ 3.96Å; I720-L765 PolarHBondContact O-N 3.26Å; I720-Y840 HydrophobicContact CD1-CD1 3.94Å; I720-A841 HydrophobicContact CD1-CB 3.96Å; I720-F843 HydrophobicContact CG2-CD2 3.92Å; I720-F843 HydrophobicContact CG2-CE2 3.76Å; I720-F895 HydrophobicContact CD1-CD1 4.02Å; I720-F895 HydrophobicContact CD1-CE1 3.88Å
721	I	98.3	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.5	176.5	-53.3	160.6	0	0	0	109	L765 L825 F839 A841 A842 F843 Y853 V856 V858	I721-L765 WeakPolarHBondContact CA-O 3.43Å; I721-L765 HydrophobicContact CG1-CD2 4.34Å; I721-L825 HydrophobicContact CD1-CD1 4.11Å; I721-L825 HydrophobicContact CD1-CD2 3.93Å; I721-L825 HydrophobicContact CG1-CD2 4.1Å; I721-L825 HydrophobicContact CG2-CD1 4.38Å; I721-L825 HydrophobicContact CG2-CD2 4.11Å; I721-F839 HydrophobicContact CD1-CB 4.1Å; I721-F839 HydrophobicContact CD1-CD1 3.71Å; I721-F839 HydrophobicContact CD1-CD2 4.03Å; I721-F839 HydrophobicContact CD1-CE1 4.09Å; I721-F839 HydrophobicContact CD1-CE2 4.35Å; I721-F839 HydrophobicContact CD1-CG 3.7Å; I721-F839 HydrophobicContact CD1-CZ 4.39Å; I721-F839 HydrophobicContact CG1-CD1 3.74Å; I721-F839 HydrophobicContact CG1-CE1 4.07Å; I721-F839 HydrophobicContact CG1-CG 4.22Å; I721-A841 PolarHBondContact N-O 3.38Å; I721-A842 HydrophobicContact CB-CB 4Å; I721-A842 HydrophobicContact CD1-CB 4.39Å; I721-A842 CarbonylContact O-C 3.56Å; I721-A842 VanDerWaalsContact O-CA 3.31Å; I721-A842 WeakPolarHBondContact O-CA 3.26Å; I721-F843 PolarHBondContact O-N 2.93Å; I721-Y853 HydrophobicContact CB-CE1 4.27Å; I721-Y853 HydrophobicContact CD1-CD1 4.05Å; I721-Y853 HydrophobicContact CD1-CE1 4.42Å; I721-Y853 HydrophobicContact CG2-CD1 4.26Å; I721-Y853 HydrophobicContact CG2-CE1 3.54Å; I721-V856 HydrophobicContact CD1-CG2 4.43Å; I721-V858 HydrophobicContact CD1-CG2 4Å
722	S	97.5	Very high	90.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.7	171.7	-174.7	0	0	0	0	110.1	Y754 L765 Y766 C767	S722-Y754 WeakPolarHBondContact OG-CE2 3.47Å; S722-Y754 PolarHBondContact OG-OH 2.82Å; S722-L765 PolarHBondContact N-O 2.83Å; S722-Y766 WeakPolarHBondContact O-CA 3.24Å; S722-C767 PolarHBondContact O-N 3.31Å
723	D	94.5	Very high	88.2	Confident	5 Å²	5	25.6 Å²	25.6	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	152.8	158.3	-161.6	-14.2	0	0	0	110.1	D725 T727 C767 K821 F843	D723-D725 PolarHBondContact OD1-N 3.46Å; D723-T727 HydrophobicContact CB-CG2 4.39Å; D723-T727 WeakPolarHBondContact O-CB 3.41Å; D723-T727 VanDerWaalsContact O-CG2 3.22Å; D723-T727 WeakPolarHBondContact O-CG2 3.49Å; D723-C767 WeakPolarHBondContact CA-O 3.47Å; D723-C767 VanDerWaalsContact OD1-O 3.1Å; D723-K821 IonicContact OD2-NZ 3.7Å; D723-K821 PolarHBondContact OD2-NZ 2.78Å; D723-F843 PolarHBondContact N-O 3.11Å
724	I	90.8	Very high	86.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.			trans	-94.2	-47	174.6	-52.5	175.1	0	0	0	110	G726 T727 I728 T729 C767 T778 Y781 L782 L797	I724-G726 PolarHBondContact O-N 3.11Å; I724-T727 PolarHBondContact O-N 2.94Å; I724-I728 HydrophobicContact CG1-CD1 4.24Å; I724-I728 PolarHBondContact O-N 3Å; I724-T729 HydrophobicContact CG2-CG2 4.4Å; I724-T729 PolarHBondContact O-N 2.87Å; I724-C767 PolarHBondContact N-O 3.24Å; I724-T778 HydrophobicContact CD1-CG2 3.64Å; I724-Y781 HydrophobicContact CG2-CE1 4.26Å; I724-L782 HydrophobicContact CD1-CD1 4.02Å; I724-L782 HydrophobicContact CD1-CD2 4.47Å; I724-L782 HydrophobicContact CG1-CD2 4.5Å; I724-L782 HydrophobicContact CG2-CD2 4.48Å; I724-L797 HydrophobicContact CD1-CD1 3.42Å; I724-L797 VanDerWaalsContact CD1-CD1 3.42Å
725	D	87.4	Confident	84	Confident	15 Å²	15	27.1 Å²	27.1	8%	0.08	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	100.9	-162.5	-77.9	-64.6	0	0	0	112.6	D723 T727 G735 S768 R770 N845	D723-D725 PolarHBondContact OD1-N 3.46Å; D725-T727 VanDerWaalsContact C-N 3.3Å; D725-G735 WeakPolarHBondContact OD1-CA 3.33Å; D725-S768 PolarHBondContact OD2-OG 3.29Å; D725-R770 IonicContact OD1-CZ 3.22Å; D725-R770 IonicContact OD1-NE 2.66Å; D725-R770 PolarHBondContact OD1-NE 3.31Å; D725-R770 IonicContact OD1-NH2 3.72Å; D725-R770 PolarHBondContact OD1-NH2 3.15Å; D725-R770 IonicContact OD2-CZ 2.89Å; D725-R770 IonicContact OD2-NE 2.68Å; D725-R770 PolarHBondContact OD2-NE 2.63Å; D725-R770 IonicContact OD2-NH2 2.73Å; D725-N845 PolarHBondContact O-ND2 3.26Å; D725-N845 PolarHBondContact O-OD1 3.14Å; D725-N845 VanDerWaalsContact O-OD1 3.08Å
726	G	86.7	Confident	82.1	Confident	4 Å²	4	27.8 Å²	27.8	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	2.7	-171.9	0	0	0	0	0	113.7	I724 T729 N845	I724-G726 PolarHBondContact O-N 3.11Å; G726-T729 CarbonylContact C-O 3.52Å; G726-T729 WeakPolarHBondContact CA-O 3.35Å; G726-T729 PolarHBondContact N-O 3.19Å; G726-T729 PolarHBondContact N-OG1 3.46Å; G726-N845 WeakPolarHBondContact O-CB 3.46Å
727	T	91.3	Very high	80.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-51.4	178	-69.7	0	0	0	0	113.4	D723 I724 D725 T729 H747 F843 G844 N845 V866 Y884	D723-T727 HydrophobicContact CB-CG2 4.39Å; D723-T727 WeakPolarHBondContact O-CB 3.41Å; D723-T727 VanDerWaalsContact O-CG2 3.22Å; D723-T727 WeakPolarHBondContact O-CG2 3.49Å; I724-T727 PolarHBondContact O-N 2.94Å; D725-T727 VanDerWaalsContact C-N 3.3Å; T727-T729 PolarHBondContact N-O 3.1Å; T727-H747 PolarHBondContact O-CD2 3.16Å; T727-H747 VanDerWaalsContact O-CD2 3.31Å; T727-F843 HydrophobicContact CG2-CB 3.97Å; T727-G844 WeakPolarHBondContact OG1-CA 3.34Å; T727-N845 WeakPolarHBondContact OG1-CB 3.45Å; T727-N845 PolarHBondContact OG1-N 2.98Å; T727-N845 VanDerWaalsContact OG1-N 3.1Å; T727-N845 PolarHBondContact OG1-OD1 3.08Å; T727-V866 HydrophobicContact CG2-CG1 3.99Å; T727-Y884 PolarHBondContact O-OH 3.01Å
728	I	90.8	Very high	78.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-48	165.1	-63.3	172.9	0	0	0	108.6	I724 T746 H747 I750 Y754 Y766 Y781 L782 L792	I724-I728 HydrophobicContact CG1-CD1 4.24Å; I724-I728 PolarHBondContact O-N 3Å; I728-T746 HydrophobicContact CG2-CG2 4.01Å; I728-T746 CarbonylContact O-C 2.97Å; I728-T746 VanDerWaalsContact O-CA 3.3Å; I728-T746 WeakPolarHBondContact O-CA 3.3Å; I728-H747 PolarHBondContact O-N 3.29Å; I728-I750 HydrophobicContact CB-CD1 4.25Å; I728-I750 HydrophobicContact CG1-CD1 3.86Å; I728-Y754 HydrophobicContact CG1-CE2 4.47Å; I728-Y766 HydrophobicContact CD1-CD1 3.76Å; I728-Y766 HydrophobicContact CD1-CE1 3.73Å; I728-Y781 HydrophobicContact CG2-CE1 4.2Å; I728-L782 HydrophobicContact CD1-CD2 3.72Å; I728-L792 HydrophobicContact CD1-CD1 4.24Å; I728-L792 HydrophobicContact CG2-CD1 4.16Å
729	T	86.3	Confident	76.1	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-78.6	152.4	172.4	81.3	0	0	0	0	110.8	I724 G726 T727 S731 L738 W745 H747 Y781	I724-T729 HydrophobicContact CG2-CG2 4.4Å; I724-T729 PolarHBondContact O-N 2.87Å; G726-T729 CarbonylContact C-O 3.52Å; G726-T729 WeakPolarHBondContact CA-O 3.35Å; G726-T729 PolarHBondContact N-O 3.19Å; G726-T729 PolarHBondContact N-OG1 3.46Å; T727-T729 PolarHBondContact N-O 3.1Å; T729-S731 PolarHBondContact O-N 2.99Å; T729-S731 PolarHBondContact OG1-O 3.06Å; T729-L738 HydrophobicContact CG2-CD1 3.79Å; T729-L738 HydrophobicContact CG2-CD2 3.96Å; T729-L738 HydrophobicContact CG2-CG 4.37Å; T729-W745 CarbonylContact C-O 3.36Å; T729-W745 WeakPolarHBondContact CA-O 3.45Å; T729-H747 PolarHBondContact O-NE2 3.27Å; T729-Y781 HydrophobicContact CG2-CE1 4.03Å
730	K	82.1	Confident	73.6	Confident	68 Å²	68	33.2 Å²	33.2	30%	0.296	17%	0.174	S	C	.	.	S	Bend	trans	-70.8	-8.4	178.4	-75.5	160.6	174.5	131.2	0	115.1	D744 W745 T746 H747	K730-D744 PolarHBondContact NZ-O 3.24Å; K730-W745 WeakPolarHBondContact CB-O 3.2Å; K730-W745 WeakPolarHBondContact CD-O 3.38Å; K730-W745 VanDerWaalsContact CG-O 3.24Å; K730-W745 WeakPolarHBondContact CG-O 3.38Å; K730-W745 PolarHBondContact N-O 3.17Å; K730-T746 WeakPolarHBondContact CE-O 3.38Å; K730-T746 PolarHBondContact NZ-O 2.87Å; K730-H747 WeakPolarHBondContact CA-NE2 3.49Å
731	S	67.1	Low	71.2	Confident	32 Å²	32	35.1 Å²	35.1	22%	0.224	18%	0.184	C	C	.	.			trans	-170	139.9	-177.4	61.2	0	0	0	0	112.5	T729 V733 F734 G735	T729-S731 PolarHBondContact O-N 2.99Å; T729-S731 PolarHBondContact OG1-O 3.06Å; S731-V733 VanDerWaalsContact C-N 3.35Å; S731-V733 PolarHBondContact O-N 2.86Å; S731-F734 WeakPolarHBondContact OG-CD2 3.29Å; S731-G735 PolarHBondContact O-N 2.68Å
732	D	59.2	Low	68.7	Low	46 Å²	46	39.4 Å²	39.4	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-55	-44	177.7	-49.2	44	0	0	0	112.7	G735 N845 R846	D732-G735 PolarHBondContact O-N 3.18Å; D732-N845 PolarHBondContact OD1-ND2 3.42Å; D732-N845 PolarHBondContact OD2-ND2 3.22Å; D732-R846 IonicContact OD2-CZ 3.89Å; D732-R846 IonicContact OD2-NE 3.67Å; D732-R846 PolarHBondContact OD2-NE 3.11Å; D732-R846 IonicContact OD2-NH2 3.44Å; D732-R846 PolarHBondContact OD2-NH2 3.19Å
733	V	54.1	Low	66.6	Low	106 Å²	106	47 Å²	47	64%	0.642	26%	0.261	S	S	*	.	H	α-helix	trans	-68.9	-50.3	-173.9	-179.2	0	0	0	0	112	S731 G735 Q736	S731-V733 VanDerWaalsContact C-N 3.35Å; S731-V733 PolarHBondContact O-N 2.86Å; V733-G735 PolarHBondContact O-N 3.34Å; V733-Q736 PolarHBondContact O-N 3.48Å
734	F	52.2	Low	65.1	Low	83 Å²	83	52.2 Å²	52.2	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-72.2	-17.3	174.7	-67	-80.5	0	0	0	112.5	S731 Q736 I737 L738 W745	S731-F734 WeakPolarHBondContact OG-CD2 3.29Å; F734-Q736 VanDerWaalsContact C-N 3.27Å; F734-Q736 PolarHBondContact O-N 2.69Å; F734-I737 PolarHBondContact O-N 3.43Å; F734-L738 PolarHBondContact O-N 3.2Å; F734-W745 HydrophobicContact CD1-CH2 4.5Å; F734-W745 HydrophobicContact CD2-CZ3 4.38Å; F734-W745 HydrophobicContact CG-CH2 4.5Å; F734-W745 HydrophobicContact CG-CZ3 4.41Å
735	G	51.9	Low	64.1	Low	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-39	170.5	0	0	0	0	0	112.9	D725 S731 D732 V733 I737 L738 R770	D725-G735 WeakPolarHBondContact OD1-CA 3.33Å; S731-G735 PolarHBondContact O-N 2.68Å; D732-G735 PolarHBondContact O-N 3.18Å; V733-G735 PolarHBondContact O-N 3.34Å; G735-I737 PolarHBondContact O-N 3.34Å; G735-L738 WeakPolarHBondContact O-CD1 3.42Å; G735-L738 WeakPolarHBondContact O-CG 3.48Å; G735-R770 VanDerWaalsContact C-NH2 3.3Å; G735-R770 PolarHBondContact O-NH2 2.69Å
736	Q	54.9	Low	63.9	Low	106 Å²	106	55.7 Å²	55.7	50%	0.495	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.9	177.7	-59.4	-174.4	1.8	0	0	113.9	V733 F734	V733-Q736 PolarHBondContact O-N 3.48Å; F734-Q736 VanDerWaalsContact C-N 3.27Å; F734-Q736 PolarHBondContact O-N 2.69Å
737	I	53.7	Low	64	Low	29 Å²	29	55.7 Å²	55.7	15%	0.149	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-1.5	-168.4	-57.9	176.9	0	0	0	112.2	V15 F734 G735 P739	V15-I737 HydrophobicContact CG1-CD1 4.11Å; V15-I737 HydrophobicContact CG2-CD1 4.39Å; V15-I737 HydrophobicContact CG2-CG2 3.63Å; F734-I737 PolarHBondContact O-N 3.43Å; G735-I737 PolarHBondContact O-N 3.34Å; I737-P739 VanDerWaalsContact O-CD 3.24Å; I737-P739 WeakPolarHBondContact O-CD 3.39Å; I737-P739 VanDerWaalsContact O-N 3.1Å
738	L	53.8	Low	63.9	Low	15 Å²	15	64.6 Å²	64.6	8%	0.079	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-45.4	-42.7	-161.7	-74.6	162.5	0	0	0	119.7	T729 F734 G735 Q740 W745 Y781	T729-L738 HydrophobicContact CG2-CD1 3.79Å; T729-L738 HydrophobicContact CG2-CD2 3.96Å; T729-L738 HydrophobicContact CG2-CG 4.37Å; F734-L738 PolarHBondContact O-N 3.2Å; G735-L738 WeakPolarHBondContact O-CD1 3.42Å; G735-L738 WeakPolarHBondContact O-CG 3.48Å; L738-Q740 PolarHBondContact O-N 3.3Å; L738-W745 HydrophobicContact CD2-CB 4.14Å; L738-Y781 HydrophobicContact CB-CD2 4.28Å; L738-Y781 HydrophobicContact CD1-CD1 3.63Å; L738-Y781 HydrophobicContact CD1-CD2 3.98Å; L738-Y781 HydrophobicContact CD1-CE1 3.73Å; L738-Y781 HydrophobicContact CD1-CE2 4.1Å; L738-Y781 HydrophobicContact CD1-CG 3.75Å; L738-Y781 HydrophobicContact CD2-CD2 4.24Å; L738-Y781 HydrophobicContact CD2-CE2 3.82Å; L738-Y781 HydrophobicContact CG-CD2 4.4Å; L738-Y781 HydrophobicContact CG-CE2 4.42Å
739	P	49	Very low	63.9	Low	75 Å²	75	65 Å²	65	49%	0.487	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65.8	-29.9	-161	-24.7	33.4	0	0	0	116.3	I737 M777	I737-P739 VanDerWaalsContact O-CD 3.24Å; I737-P739 WeakPolarHBondContact O-CD 3.39Å; I737-P739 VanDerWaalsContact O-N 3.1Å; P739-M777 HydrophobicContact CG-CE 4.21Å; P739-M777 HydrophobicContact CG-CG 3.27Å; P739-M777 HydrophobicContact CG-SD 3.47Å; P739-M777 WeakPolarHBondContact CG-SD 3.12Å
740	Q	45	Very low	64.2	Low	112 Å²	112	65 Å²	65	52%	0.523	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-107.1	5.7	-162.5	-67.3	-161.9	-5.5	0	0	115.6	L18 L738	L18-Q740 HydrophobicContact CD1-CB 3.92Å; L18-Q740 HydrophobicContact CD1-CG 3.83Å; L18-Q740 VanDerWaalsContact CD1-OE1 3.28Å; L738-Q740 PolarHBondContact O-N 3.3Å
741	L	48.1	Very low	64.8	Low	41 Å²	41	61.7 Å²	61.7	22%	0.215	33%	0.325	C	S	.	.	S	Bend	trans	-107.5	5.4	-174	-120.9	74.1	0	0	0	116.3	V11 K743 W745	V11-L741 HydrophobicContact CG1-CD1 4.23Å; V11-L741 HydrophobicContact CG1-CD2 3.93Å; V11-L741 HydrophobicContact CG2-CD1 4.36Å; V11-L741 HydrophobicContact CG2-CD2 4.2Å; L741-K743 VanDerWaalsContact C-N 3.26Å; L741-K743 WeakPolarHBondContact O-CB 3.48Å; L741-K743 PolarHBondContact O-N 3.45Å; L741-W745 HydrophobicContact CD2-CZ2 4.08Å
742	G	46.2	Very low	66.1	Low	89 Å²	89	65.2 Å²	65.2	92%	0.918	34%	0.337	S	S	*	.			trans	52.4	31.6	159.9	0	0	0	0	0	117
743	K	53.3	Low	67.8	Low	160 Å²	160	63 Å²	63	70%	0.696	33%	0.325	S	S	*	.	S	Bend	trans	-148.7	148.4	-172	-165.3	171.2	-172.3	173.8	0	111.1	L741 W745	L741-K743 VanDerWaalsContact C-N 3.26Å; L741-K743 WeakPolarHBondContact O-CB 3.48Å; L741-K743 PolarHBondContact O-N 3.45Å; K743-W745 VanDerWaalsContact C-N 3.31Å; K743-W745 PolarHBondContact O-N 3.29Å
744	D	62.3	Low	69.8	Low	115 Å²	115	58 Å²	58	62%	0.615	29%	0.294	S	S	*	.			trans	-68.3	81.2	-174.1	-47.8	-25.7	0	0	0	112.5	K730 T746	K730-D744 PolarHBondContact NZ-O 3.24Å; D744-T746 PolarHBondContact O-N 3.04Å
745	W	70.5	Confident	71.9	Confident	70 Å²	70	56.1 Å²	56.1	27%	0.265	29%	0.288	S	S	.	.			trans	-75.8	-7	171.3	-66.1	104.6	0	0	0	112.7	T729 K730 F734 L738 L741 K743	T729-W745 CarbonylContact C-O 3.36Å; T729-W745 WeakPolarHBondContact CA-O 3.45Å; K730-W745 WeakPolarHBondContact CB-O 3.2Å; K730-W745 WeakPolarHBondContact CD-O 3.38Å; K730-W745 VanDerWaalsContact CG-O 3.24Å; K730-W745 WeakPolarHBondContact CG-O 3.38Å; K730-W745 PolarHBondContact N-O 3.17Å; F734-W745 HydrophobicContact CD1-CH2 4.5Å; F734-W745 HydrophobicContact CD2-CZ3 4.38Å; F734-W745 HydrophobicContact CG-CH2 4.5Å; F734-W745 HydrophobicContact CG-CZ3 4.41Å; L738-W745 HydrophobicContact CD2-CB 4.14Å; L741-W745 HydrophobicContact CD2-CZ2 4.08Å; K743-W745 VanDerWaalsContact C-N 3.31Å; K743-W745 PolarHBondContact O-N 3.29Å
746	T	84.1	Confident	74	Confident	18 Å²	18	57.2 Å²	57.2	11%	0.11	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-74.9	145.9	176.3	-48.2	0	0	0	0	112.4	I728 K730 D744 I750 Y781 V785	I728-T746 HydrophobicContact CG2-CG2 4.01Å; I728-T746 CarbonylContact O-C 2.97Å; I728-T746 VanDerWaalsContact O-CA 3.3Å; I728-T746 WeakPolarHBondContact O-CA 3.3Å; K730-T746 WeakPolarHBondContact CE-O 3.38Å; K730-T746 PolarHBondContact NZ-O 2.87Å; D744-T746 PolarHBondContact O-N 3.04Å; T746-I750 HydrophobicContact CG2-CG2 3.58Å; T746-Y781 PolarHBondContact OG1-OH 3.28Å; T746-V785 HydrophobicContact CG2-CG1 3.66Å
747	H	88.3	Confident	75.9	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.019	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-66.5	141.4	169.6	-74	-79.2	0	0	0	112.8	T727 I728 T729 K730 I750 N867 G870 Y884	T727-H747 PolarHBondContact O-CD2 3.16Å; T727-H747 VanDerWaalsContact O-CD2 3.31Å; I728-H747 PolarHBondContact O-N 3.29Å; T729-H747 PolarHBondContact O-NE2 3.27Å; K730-H747 WeakPolarHBondContact CA-NE2 3.49Å; H747-I750 WeakPolarHBondContact O-CG2 3.2Å; H747-N867 PolarHBondContact CE1-O 3.07Å; H747-G870 VanDerWaalsContact CE1-CA 3.49Å; H747-G870 WeakPolarHBondContact CE1-CA 3.26Å; H747-G870 PolarHBondContact CE1-N 2.9Å; H747-G870 WeakPolarHBondContact ND1-CA 3.42Å; H747-G870 PolarHBondContact ND1-N 3.13Å; H747-Y884 HydrophobicContact CB-CD2 3.87Å; H747-Y884 HydrophobicContact CB-CE2 3.55Å; H747-Y884 AromaticContact CG-CE2 3.96Å
748	R	88.9	Confident	77.9	Confident	187 Å²	187	53.7 Å²	53.7	71%	0.706	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	143.3	176.6	-77.3	-179	173.2	-111.5	-5	111.7	I750	R748-I750 VanDerWaalsContact C-N 3.32Å
749	G	90.3	Very high	79.9	Confident	8 Å²	8	58.8 Å²	58.8	8%	0.082	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-10.4	-176.5	0	0	0	0	0	114.6	L753 D787	G749-L753 PolarHBondContact O-N 3.11Å; G749-D787 WeakPolarHBondContact CA-OD2 3.47Å; G749-D787 PolarHBondContact N-OD2 2.77Å
750	I	93.8	Very high	82.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72.2	-45.2	-169.4	-163.1	175.7	0	0	0	112.8	I728 T746 H747 R748 K752 L753 Y754 Y884	I728-I750 HydrophobicContact CB-CD1 4.25Å; I728-I750 HydrophobicContact CG1-CD1 3.86Å; T746-I750 HydrophobicContact CG2-CG2 3.58Å; H747-I750 WeakPolarHBondContact O-CG2 3.2Å; R748-I750 VanDerWaalsContact C-N 3.32Å; I750-K752 VanDerWaalsContact C-N 3.33Å; I750-K752 PolarHBondContact O-N 3.06Å; I750-L753 PolarHBondContact O-N 3.41Å; I750-Y754 HydrophobicContact CD1-CE1 4.33Å; I750-Y754 HydrophobicContact CD1-CE2 4.03Å; I750-Y754 HydrophobicContact CG1-CD1 4.06Å; I750-Y754 HydrophobicContact CG1-CD2 4.29Å; I750-Y754 HydrophobicContact CG1-CE1 3.83Å; I750-Y754 HydrophobicContact CG1-CE2 4.06Å; I750-Y754 HydrophobicContact CG1-CG 4.3Å; I750-Y754 WeakPolarHBondContact O-CB 3.22Å; I750-Y754 PolarHBondContact O-N 3.11Å; I750-Y884 HydrophobicContact CB-CD1 4.21Å; I750-Y884 HydrophobicContact CB-CD2 4.03Å; I750-Y884 HydrophobicContact CB-CE1 4.35Å; I750-Y884 HydrophobicContact CB-CE2 4.16Å; I750-Y884 HydrophobicContact CB-CG 4.05Å; I750-Y884 HydrophobicContact CD1-CE1 3.88Å; I750-Y884 HydrophobicContact CD1-CE2 4.04Å; I750-Y884 HydrophobicContact CG1-CD1 3.93Å; I750-Y884 HydrophobicContact CG1-CD2 4.4Å; I750-Y884 HydrophobicContact CG1-CE1 3.69Å; I750-Y884 HydrophobicContact CG1-CE2 4.18Å; I750-Y884 HydrophobicContact CG1-CG 4.28Å
751	A	93.5	Very high	84.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-38.9	-179.6	0	0	0	0	0	111	Y754 N755 D787 T790 L792	A751-Y754 PolarHBondContact O-N 3.22Å; A751-N755 VanDerWaalsContact O-CB 3.23Å; A751-N755 WeakPolarHBondContact O-CB 3.21Å; A751-N755 PolarHBondContact O-N 3.14Å; A751-D787 HydrophobicContact CB-CB 3.9Å; A751-T790 HydrophobicContact CB-CG2 4.37Å; A751-T790 VanDerWaalsContact CB-O 3.3Å; A751-T790 WeakPolarHBondContact CB-O 3.47Å; A751-L792 HydrophobicContact CB-CD2 4.21Å
752	K	94.1	Very high	86.7	Confident	105 Å²	105	50.3 Å²	50.3	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-58.8	-49.1	172	-169.7	-170.1	174.7	-166.5	0	112	I750 S756	I750-K752 VanDerWaalsContact C-N 3.33Å; I750-K752 PolarHBondContact O-N 3.06Å; K752-S756 PolarHBondContact O-N 2.67Å; K752-S756 VanDerWaalsContact O-N 3.12Å; K752-S756 PolarHBondContact O-OG 2.58Å
753	L	95.6	Very high	89.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-51.9	176.3	173.9	65.9	0	0	0	111.1	G749 I750 N755 S756 V757 F843 Y884 L887	G749-L753 PolarHBondContact O-N 3.11Å; I750-L753 PolarHBondContact O-N 3.41Å; L753-N755 VanDerWaalsContact C-N 3.35Å; L753-N755 PolarHBondContact O-N 3.14Å; L753-S756 PolarHBondContact O-N 3.12Å; L753-V757 HydrophobicContact CD1-CG2 3.91Å; L753-V757 HydrophobicContact CG-CG2 4.3Å; L753-V757 WeakPolarHBondContact O-CG2 3.2Å; L753-V757 PolarHBondContact O-N 2.94Å; L753-F843 HydrophobicContact CD2-CE1 4.04Å; L753-F843 HydrophobicContact CD2-CZ 3.91Å; L753-Y884 HydrophobicContact CD2-CD1 3.77Å; L753-Y884 HydrophobicContact CD2-CE1 4.49Å; L753-L887 HydrophobicContact CD1-CB 4.3Å; L753-L887 HydrophobicContact CD1-CG 3.96Å; L753-L887 HydrophobicContact CD2-CB 4.25Å; L753-L887 HydrophobicContact CD2-CD2 3.75Å; L753-L887 HydrophobicContact CD2-CG 4.01Å
754	Y	97	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-38.5	-172.6	-76.1	14.6	0	0	0	111.5	S722 I728 I750 A751 V757 H758 F764 Y766 L792 F843 Y884	S722-Y754 WeakPolarHBondContact OG-CE2 3.47Å; S722-Y754 PolarHBondContact OG-OH 2.82Å; I728-Y754 HydrophobicContact CG1-CE2 4.47Å; I750-Y754 HydrophobicContact CD1-CE1 4.33Å; I750-Y754 HydrophobicContact CD1-CE2 4.03Å; I750-Y754 HydrophobicContact CG1-CD1 4.06Å; I750-Y754 HydrophobicContact CG1-CD2 4.29Å; I750-Y754 HydrophobicContact CG1-CE1 3.83Å; I750-Y754 HydrophobicContact CG1-CE2 4.06Å; I750-Y754 HydrophobicContact CG1-CG 4.3Å; I750-Y754 WeakPolarHBondContact O-CB 3.22Å; I750-Y754 PolarHBondContact O-N 3.11Å; A751-Y754 PolarHBondContact O-N 3.22Å; Y754-V757 PolarHBondContact O-N 3.49Å; Y754-H758 WeakPolarHBondContact O-CB 3.3Å; Y754-H758 PolarHBondContact O-N 3.1Å; Y754-F764 AromaticContact CD1-CE1 3.72Å; Y754-F764 HydrophobicContact CD1-CE1 3.72Å; Y754-F764 AromaticContact CD1-CZ 3.9Å; Y754-F764 HydrophobicContact CD1-CZ 3.9Å; Y754-F764 AromaticContact CD2-CD1 3.86Å; Y754-F764 HydrophobicContact CD2-CD1 3.86Å; Y754-F764 AromaticContact CD2-CE1 3.45Å; Y754-F764 HydrophobicContact CD2-CE1 3.45Å; Y754-F764 VanDerWaalsContact CD2-CE1 3.45Å; Y754-F764 HydrophobicContact CD2-CZ 4.15Å; Y754-F764 HydrophobicContact CE1-CE1 4.03Å; Y754-F764 HydrophobicContact CE2-CD1 4.17Å; Y754-F764 AromaticContact CE2-CE1 3.8Å; Y754-F764 HydrophobicContact CE2-CE1 3.8Å; Y754-F764 HydrophobicContact CG-CD1 4.23Å; Y754-F764 AromaticContact CG-CE1 3.41Å; Y754-F764 HydrophobicContact CG-CE1 3.41Å; Y754-F764 VanDerWaalsContact CG-CE1 3.41Å; Y754-F764 AromaticContact CG-CZ 3.65Å; Y754-F764 HydrophobicContact CG-CZ 3.65Å; Y754-F764 WeakPolarHBondContact O-CE2 3.38Å; Y754-Y766 HydrophobicContact CD2-CE1 4.35Å; Y754-Y766 HydrophobicContact CE2-CE1 4.2Å; Y754-L792 HydrophobicContact CD2-CD2 3.81Å; Y754-L792 HydrophobicContact CG-CD2 4.44Å; Y754-F843 HydrophobicContact CE1-CD1 4.38Å; Y754-F843 AromaticContact CE1-CD2 3.95Å; Y754-F843 HydrophobicContact CE1-CD2 3.95Å; Y754-F843 HydrophobicContact CE1-CE1 4.35Å; Y754-F843 AromaticContact CE1-CE2 3.92Å; Y754-F843 HydrophobicContact CE1-CE2 3.92Å; Y754-F843 HydrophobicContact CE1-CG 4.2Å; Y754-F843 HydrophobicContact CE1-CZ 4.13Å; Y754-F843 VanDerWaalsContact OH-CB 3.32Å; Y754-F843 WeakPolarHBondContact OH-CB 3.25Å; Y754-F843 WeakPolarHBondContact OH-CG 3.33Å; Y754-Y884 HydrophobicContact CE1-CE1 4.42Å
755	N	95.4	Very high	93	Very high	44 Å²	44	36.4 Å²	36.4	24%	0.235	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-46.2	173.6	-171.9	76.5	0	0	0	111.8	A751 L753 V757 H758 E759 T790	A751-N755 VanDerWaalsContact O-CB 3.23Å; A751-N755 WeakPolarHBondContact O-CB 3.21Å; A751-N755 PolarHBondContact O-N 3.14Å; L753-N755 VanDerWaalsContact C-N 3.35Å; L753-N755 PolarHBondContact O-N 3.14Å; N755-V757 VanDerWaalsContact C-N 3.35Å; N755-V757 PolarHBondContact O-N 2.79Å; N755-H758 CarbonylContact O-C 3.53Å; N755-H758 WeakPolarHBondContact O-CA 3.05Å; N755-H758 WeakPolarHBondContact O-CB 3.4Å; N755-H758 PolarHBondContact O-N 3.3Å; N755-H758 VanDerWaalsContact O-N 3.07Å; N755-E759 PolarHBondContact ND2-OE1 2.82Å; N755-E759 PolarHBondContact ND2-OE2 3.04Å; N755-E759 VanDerWaalsContact O-CG 3.31Å; N755-E759 WeakPolarHBondContact O-CG 3.49Å; N755-E759 PolarHBondContact O-N 2.84Å; N755-T790 HydrophobicContact CB-CG2 3.67Å
756	S	95.4	Very high	94.3	Very high	24 Å²	24	33.2 Å²	33.2	17%	0.168	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-32.9	176.7	-62.5	0	0	0	0	113.9	K752 L753 H758 E759 N760	K752-S756 PolarHBondContact O-N 2.67Å; K752-S756 VanDerWaalsContact O-N 3.12Å; K752-S756 PolarHBondContact O-OG 2.58Å; L753-S756 PolarHBondContact O-N 3.12Å; S756-H758 VanDerWaalsContact C-N 3.32Å; S756-E759 WeakPolarHBondContact CA-OE2 3.22Å; S756-E759 PolarHBondContact OG-OE2 3.13Å; S756-N760 PolarHBondContact O-N 3.02Å
757	V	96.6	Very high	94.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-36.3	170.6	172.8	0	0	0	0	111	I720 L753 Y754 N755 N760 Y762 F764 V891 F895	I720-V757 HydrophobicContact CD1-CG1 4.14Å; I720-V757 HydrophobicContact CG1-CG1 3.83Å; L753-V757 HydrophobicContact CD1-CG2 3.91Å; L753-V757 HydrophobicContact CG-CG2 4.3Å; L753-V757 WeakPolarHBondContact O-CG2 3.2Å; L753-V757 PolarHBondContact O-N 2.94Å; Y754-V757 PolarHBondContact O-N 3.49Å; N755-V757 VanDerWaalsContact C-N 3.35Å; N755-V757 PolarHBondContact O-N 2.79Å; V757-N760 PolarHBondContact O-N 2.87Å; V757-Y762 HydrophobicContact CG1-CD2 4.19Å; V757-Y762 HydrophobicContact CG1-CG 4.2Å; V757-Y762 WeakPolarHBondContact O-CB 3.5Å; V757-Y762 WeakPolarHBondContact O-CD2 3.18Å; V757-Y762 PolarHBondContact O-N 3.05Å; V757-F764 HydrophobicContact CB-CE2 4.02Å; V757-F764 HydrophobicContact CB-CZ 3.94Å; V757-F764 HydrophobicContact CG1-CE2 3.84Å; V757-F764 HydrophobicContact CG1-CZ 3.8Å; V757-V891 HydrophobicContact CG2-CG2 3.72Å; V757-F895 HydrophobicContact CB-CG 4.48Å; V757-F895 HydrophobicContact CG1-CB 4.3Å; V757-F895 HydrophobicContact CG1-CD1 3.84Å; V757-F895 HydrophobicContact CG1-CE1 4.33Å; V757-F895 HydrophobicContact CG1-CG 4.05Å; V757-F895 HydrophobicContact CG2-CB 4.07Å; V757-F895 HydrophobicContact CG2-CD1 4.12Å; V757-F895 HydrophobicContact CG2-CD2 3.55Å; V757-F895 HydrophobicContact CG2-CE1 4.47Å; V757-F895 HydrophobicContact CG2-CE2 3.94Å; V757-F895 HydrophobicContact CG2-CG 3.66Å; V757-F895 HydrophobicContact CG2-CZ 4.4Å
758	H	95.7	Very high	94.6	Very high	60 Å²	60	32.1 Å²	32.1	28%	0.278	15%	0.152	S	C	.	.	H	α-helix	trans	-69.1	-43	175.6	-178.5	49.6	0	0	0	112.6	Y754 N755 S756 N760 G761 Y762 F764 P793	Y754-H758 WeakPolarHBondContact O-CB 3.3Å; Y754-H758 PolarHBondContact O-N 3.1Å; N755-H758 CarbonylContact O-C 3.53Å; N755-H758 WeakPolarHBondContact O-CA 3.05Å; N755-H758 WeakPolarHBondContact O-CB 3.4Å; N755-H758 PolarHBondContact O-N 3.3Å; N755-H758 VanDerWaalsContact O-N 3.07Å; S756-H758 VanDerWaalsContact C-N 3.32Å; H758-N760 PolarHBondContact O-N 3.34Å; H758-G761 WeakPolarHBondContact O-CA 3.5Å; H758-G761 PolarHBondContact O-N 3.07Å; H758-Y762 PolarHBondContact ND1-O 2.9Å; H758-F764 HydrophobicContact CB-CD2 4.27Å; H758-F764 HydrophobicContact CB-CE2 4.15Å; H758-P793 HydrophobicContact CB-CB 3.67Å; H758-P793 HydrophobicContact CB-CG 4.07Å
759	E	94.6	Very high	94.3	Very high	123 Å²	123	25.1 Å²	25.1	58%	0.575	13%	0.134	S	C	*	.	H	α-helix	trans	-56	-33.9	174	-73.1	167.1	158.4	0	0	111.8	N755 S756 G761	N755-E759 PolarHBondContact ND2-OE1 2.82Å; N755-E759 PolarHBondContact ND2-OE2 3.04Å; N755-E759 VanDerWaalsContact O-CG 3.31Å; N755-E759 WeakPolarHBondContact O-CG 3.49Å; N755-E759 PolarHBondContact O-N 2.84Å; S756-E759 WeakPolarHBondContact CA-OE2 3.22Å; S756-E759 PolarHBondContact OG-OE2 3.13Å; E759-G761 PolarHBondContact O-N 2.69Å; E759-G761 VanDerWaalsContact O-N 3.17Å
760	N	95.1	Very high	93.9	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.07	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	3.7	175.6	-72.4	4.9	0	0	0	114.7	S756 V757 H758 Y762 E892 F895 L897 R898	S756-N760 PolarHBondContact O-N 3.02Å; V757-N760 PolarHBondContact O-N 2.87Å; H758-N760 PolarHBondContact O-N 3.34Å; N760-Y762 HydrophobicContact CB-CD2 4.2Å; N760-Y762 HydrophobicContact CB-CE2 4.3Å; N760-E892 PolarHBondContact ND2-OE1 2.94Å; N760-F895 PolarHBondContact ND2-O 2.88Å; N760-L897 HydrophobicContact CB-CD2 4.3Å; N760-L897 HydrophobicContact CB-CG 4.43Å; N760-L897 WeakPolarHBondContact OD1-CD2 3.5Å; N760-R898 PolarHBondContact O-N 2.53Å
761	G	93.9	Very high	93.3	Very high	30 Å²	30	26.1 Å²	26.1	31%	0.309	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	13.1	172.4	0	0	0	0	0	114.7	H758 E759 R898	H758-G761 WeakPolarHBondContact O-CA 3.5Å; H758-G761 PolarHBondContact O-N 3.07Å; E759-G761 PolarHBondContact O-N 2.69Å; E759-G761 VanDerWaalsContact O-N 3.17Å; G761-R898 WeakPolarHBondContact O-CD 3.11Å; G761-R898 PolarHBondContact O-NH1 3.29Å
762	Y	96.9	Very high	92.9	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.027	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-88.8	149.9	176.8	-64.9	-93.4	0	0	0	112.1	K718 I720 V757 H758 N760 Y840 F895 P896 R898	K718-Y762 HydrophobicContact CB-CD1 3.74Å; K718-Y762 HydrophobicContact CB-CE1 3.89Å; I720-Y762 HydrophobicContact CD1-CD1 3.86Å; I720-Y762 HydrophobicContact CD1-CG 4.22Å; I720-Y762 HydrophobicContact CG1-CD1 4.37Å; I720-Y762 HydrophobicContact CG1-CG 4.37Å; V757-Y762 HydrophobicContact CG1-CD2 4.19Å; V757-Y762 HydrophobicContact CG1-CG 4.2Å; V757-Y762 WeakPolarHBondContact O-CB 3.5Å; V757-Y762 WeakPolarHBondContact O-CD2 3.18Å; V757-Y762 PolarHBondContact O-N 3.05Å; H758-Y762 PolarHBondContact ND1-O 2.9Å; N760-Y762 HydrophobicContact CB-CD2 4.2Å; N760-Y762 HydrophobicContact CB-CE2 4.3Å; Y762-Y840 HydrophobicContact CD1-CD1 4.24Å; Y762-Y840 HydrophobicContact CD1-CG 4.23Å; Y762-Y840 AromaticContact CE1-CD1 3.55Å; Y762-Y840 HydrophobicContact CE1-CD1 3.55Å; Y762-Y840 AromaticContact CE1-CD2 3.81Å; Y762-Y840 HydrophobicContact CE1-CD2 3.81Å; Y762-Y840 AromaticContact CE1-CE1 3.94Å; Y762-Y840 HydrophobicContact CE1-CE1 3.94Å; Y762-Y840 HydrophobicContact CE1-CE2 4.17Å; Y762-Y840 AromaticContact CE1-CG 3.49Å; Y762-Y840 HydrophobicContact CE1-CG 3.49Å; Y762-Y840 VanDerWaalsContact CE1-CG 3.49Å; Y762-Y840 AromaticContact CZ-CE1 3.99Å; Y762-F895 HydrophobicContact CD2-CB 4.36Å; Y762-F895 HydrophobicContact CE2-CB 3.85Å; Y762-P896 WeakPolarHBondContact CE2-O 3.45Å; Y762-P896 PolarHBondContact OH-O 3.49Å; Y762-R898 HydrophobicContact CE2-CG 4.48Å
763	R	96.8	Very high	92.2	Very high	70 Å²	70	21.9 Å²	21.9	26%	0.264	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.9	175.1	-56.2	-57.9	-173.8	-174.1	-1.4	110.1	W713 D717 K718 V719 I720	W713-R763 HydrophobicContact CD2-CB 4.4Å; W713-R763 HydrophobicContact CD2-CG 4.17Å; W713-R763 HydrophobicContact CG-CG 4.43Å; W713-R763 HydrophobicContact CH2-CB 3.99Å; W713-R763 HydrophobicContact CZ2-CB 3.72Å; W713-R763 HydrophobicContact CZ2-CG 4.24Å; W713-R763 HydrophobicContact CZ3-CB 4.45Å; D717-R763 HydrophobicContact CB-CG 4.06Å; D717-R763 IonicContact OD1-NE 3.42Å; D717-R763 IonicContact OD2-CZ 3.39Å; D717-R763 IonicContact OD2-NE 3.96Å; D717-R763 PolarHBondContact OD2-NE 3.27Å; D717-R763 IonicContact OD2-NH2 2.74Å; D717-R763 PolarHBondContact OD2-NH2 3.11Å; K718-R763 PolarHBondContact O-N 3.08Å; V719-R763 CarbonylContact C-O 3.59Å; V719-R763 WeakPolarHBondContact CA-O 3.17Å; V719-R763 HydrophobicContact CG2-CB 4.37Å; I720-R763 PolarHBondContact N-O 3.33Å
764	F	97.9	Very high	91.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.5	172.9	-84.7	-94.4	0	0	0	111.4	I720 Y754 V757 H758 Y766 P793 G795 P796	I720-F764 HydrophobicContact CB-CD1 4.07Å; I720-F764 HydrophobicContact CB-CE1 3.89Å; I720-F764 HydrophobicContact CB-CE2 4.49Å; I720-F764 HydrophobicContact CB-CG 4.45Å; I720-F764 HydrophobicContact CB-CZ 4.11Å; I720-F764 HydrophobicContact CG1-CE2 4.4Å; I720-F764 HydrophobicContact CG1-CZ 4.26Å; I720-F764 HydrophobicContact CG2-CD1 4.1Å; I720-F764 HydrophobicContact CG2-CE1 3.56Å; I720-F764 HydrophobicContact CG2-CZ 3.96Å; Y754-F764 AromaticContact CD1-CE1 3.72Å; Y754-F764 HydrophobicContact CD1-CE1 3.72Å; Y754-F764 AromaticContact CD1-CZ 3.9Å; Y754-F764 HydrophobicContact CD1-CZ 3.9Å; Y754-F764 AromaticContact CD2-CD1 3.86Å; Y754-F764 HydrophobicContact CD2-CD1 3.86Å; Y754-F764 AromaticContact CD2-CE1 3.45Å; Y754-F764 HydrophobicContact CD2-CE1 3.45Å; Y754-F764 VanDerWaalsContact CD2-CE1 3.45Å; Y754-F764 HydrophobicContact CD2-CZ 4.15Å; Y754-F764 HydrophobicContact CE1-CE1 4.03Å; Y754-F764 HydrophobicContact CE2-CD1 4.17Å; Y754-F764 AromaticContact CE2-CE1 3.8Å; Y754-F764 HydrophobicContact CE2-CE1 3.8Å; Y754-F764 HydrophobicContact CG-CD1 4.23Å; Y754-F764 AromaticContact CG-CE1 3.41Å; Y754-F764 HydrophobicContact CG-CE1 3.41Å; Y754-F764 VanDerWaalsContact CG-CE1 3.41Å; Y754-F764 AromaticContact CG-CZ 3.65Å; Y754-F764 HydrophobicContact CG-CZ 3.65Å; Y754-F764 WeakPolarHBondContact O-CE2 3.38Å; V757-F764 HydrophobicContact CB-CE2 4.02Å; V757-F764 HydrophobicContact CB-CZ 3.94Å; V757-F764 HydrophobicContact CG1-CE2 3.84Å; V757-F764 HydrophobicContact CG1-CZ 3.8Å; H758-F764 HydrophobicContact CB-CD2 4.27Å; H758-F764 HydrophobicContact CB-CE2 4.15Å; F764-Y766 HydrophobicContact CB-CE2 3.98Å; F764-Y766 HydrophobicContact CD1-CE1 4.4Å; F764-P793 HydrophobicContact CB-CG 4.37Å; F764-P793 HydrophobicContact CD2-CB 4.29Å; F764-P793 HydrophobicContact CD2-CG 3.48Å; F764-P793 VanDerWaalsContact CD2-CG 3.48Å; F764-P793 HydrophobicContact CE2-CG 3.9Å; F764-P793 HydrophobicContact CG-CG 3.87Å; F764-G795 WeakPolarHBondContact O-CA 3.21Å; F764-P796 WeakPolarHBondContact O-CD 3.42Å
765	L	98.1	Very high	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.2	175.1	172.2	60.6	0	0	0	108.1	I34 V719 I720 I721 S722 P796 M798 L825 I828 F839	I34-L765 HydrophobicContact CD1-CD1 3.78Å; V719-L765 HydrophobicContact CG1-CB 3.5Å; V719-L765 VanDerWaalsContact CG1-CB 3.5Å; V719-L765 HydrophobicContact CG1-CD2 4.01Å; V719-L765 HydrophobicContact CG1-CG 4.41Å; I720-L765 PolarHBondContact O-N 3.26Å; I721-L765 WeakPolarHBondContact CA-O 3.43Å; I721-L765 HydrophobicContact CG1-CD2 4.34Å; S722-L765 PolarHBondContact N-O 2.83Å; L765-P796 HydrophobicContact CD1-CB 4.47Å; L765-P796 HydrophobicContact CD1-CG 3.92Å; L765-M798 HydrophobicContact CD1-CG 3.58Å; L765-L825 HydrophobicContact CD2-CD2 3.78Å; L765-I828 HydrophobicContact CD1-CD1 4.13Å; L765-I828 HydrophobicContact CD2-CD1 3.97Å; L765-I828 HydrophobicContact CD2-CG2 4.1Å; L765-F839 HydrophobicContact CD2-CE1 3.75Å; L765-F839 HydrophobicContact CD2-CZ 4.4Å
766	Y	97.4	Very high	90.6	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.5	-179.5	-63.1	-69.8	0	0	0	109.8	S722 I728 Y754 F764 L782 P793 P796 M798	S722-Y766 WeakPolarHBondContact O-CA 3.24Å; I728-Y766 HydrophobicContact CD1-CD1 3.76Å; I728-Y766 HydrophobicContact CD1-CE1 3.73Å; Y754-Y766 HydrophobicContact CD2-CE1 4.35Å; Y754-Y766 HydrophobicContact CE2-CE1 4.2Å; F764-Y766 HydrophobicContact CB-CE2 3.98Å; F764-Y766 HydrophobicContact CD1-CE1 4.4Å; Y766-L782 HydrophobicContact CD1-CD1 4.45Å; Y766-L782 HydrophobicContact CD1-CD2 4.44Å; Y766-L782 HydrophobicContact CD2-CD1 4.02Å; Y766-L782 HydrophobicContact CG-CD1 3.9Å; Y766-P793 PolarHBondContact OH-O 3.05Å; Y766-P796 PolarHBondContact N-O 3.27Å; Y766-M798 PolarHBondContact O-N 3.06Å
767	C	92.7	Very high	90	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	-179.1	-173.8	0	0	0	0	110.2	S722 D723 I724 M798	S722-C767 PolarHBondContact O-N 3.31Å; D723-C767 WeakPolarHBondContact CA-O 3.47Å; D723-C767 VanDerWaalsContact OD1-O 3.1Å; I724-C767 PolarHBondContact N-O 3.24Å; C767-M798 WeakPolarHBondContact CA-O 3.47Å
768	S	87.4	Confident	89.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.6	170.2	167.5	0	0	0	0	110.9	D725 R770 M798	D725-S768 PolarHBondContact OD2-OG 3.29Å; S768-R770 PolarHBondContact O-N 3.37Å; S768-R770 WeakPolarHBondContact OG-CD 3.15Å; S768-R770 VanDerWaalsContact OG-CG 3.22Å; S768-R770 WeakPolarHBondContact OG-CG 3.32Å; S768-R770 PolarHBondContact OG-N 2.79Å; S768-R770 VanDerWaalsContact OG-N 3.13Å; S768-M798 PolarHBondContact N-O 3.37Å
769	A	82.1	Confident	89.2	Confident	39 Å²	39	23.7 Å²	23.7	32%	0.322	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	1.2	174.1	0	0	0	0	0	113.7	P817	A769-P817 HydrophobicContact CB-CB 4.24Å
770	R	81.3	Confident	88.8	Confident	18 Å²	18	19.1 Å²	19.1	7%	0.068	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	149.2	172.5	-66.5	161.7	-166.2	-145.7	-1.2	110.9	D725 G735 S768 M774 T778 L799 S800	D725-R770 IonicContact OD1-CZ 3.22Å; D725-R770 IonicContact OD1-NE 2.66Å; D725-R770 PolarHBondContact OD1-NE 3.31Å; D725-R770 IonicContact OD1-NH2 3.72Å; D725-R770 PolarHBondContact OD1-NH2 3.15Å; D725-R770 IonicContact OD2-CZ 2.89Å; D725-R770 IonicContact OD2-NE 2.68Å; D725-R770 PolarHBondContact OD2-NE 2.63Å; D725-R770 IonicContact OD2-NH2 2.73Å; G735-R770 VanDerWaalsContact C-NH2 3.3Å; G735-R770 PolarHBondContact O-NH2 2.69Å; S768-R770 PolarHBondContact O-N 3.37Å; S768-R770 WeakPolarHBondContact OG-CD 3.15Å; S768-R770 VanDerWaalsContact OG-CG 3.22Å; S768-R770 WeakPolarHBondContact OG-CG 3.32Å; S768-R770 PolarHBondContact OG-N 2.79Å; S768-R770 VanDerWaalsContact OG-N 3.13Å; R770-M774 HydrophobicContact CB-CB 4.44Å; R770-T778 WeakPolarHBondContact CD-OG1 3.3Å; R770-T778 PolarHBondContact NH1-OG1 3.22Å; R770-L799 HydrophobicContact CB-CD2 4.1Å; R770-S800 WeakPolarHBondContact O-CB 3.48Å; R770-S800 PolarHBondContact O-N 2.85Å
771	A	81.6	Confident	88.3	Confident	11 Å²	11	20 Å²	20	9%	0.091	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	148.9	173.6	0	0	0	0	0	112.5	G773 M774 S800 S802 L804	A771-G773 PolarHBondContact O-N 3.01Å; A771-M774 WeakPolarHBondContact O-CB 3.35Å; A771-M774 PolarHBondContact O-N 2.93Å; A771-S800 CarbonylContact C-O 3.55Å; A771-S802 VanDerWaalsContact CB-O 3.27Å; A771-S802 WeakPolarHBondContact CB-O 3.19Å; A771-L804 HydrophobicContact CB-CD1 3.73Å; A771-L804 HydrophobicContact CB-CD2 4.28Å; A771-L804 HydrophobicContact CB-CG 3.66Å
772	I	84.9	Confident	88.1	Confident	3 Å²	3	19.3 Å²	19.3	2%	0.015	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-44.4	-36.1	176.9	-175.4	169.8	0	0	0	115.5	G29 I31 H49 R51 M774 A775 S800	G29-I772 WeakPolarHBondContact O-CD1 3.3Å; G29-I772 WeakPolarHBondContact O-CG1 3.38Å; I31-I772 HydrophobicContact CD1-CB 4.49Å; I31-I772 HydrophobicContact CD1-CD1 4.38Å; I31-I772 HydrophobicContact CD1-CG1 4.48Å; I31-I772 HydrophobicContact CG1-CB 4.38Å; I31-I772 HydrophobicContact CG1-CD1 3.94Å; I31-I772 HydrophobicContact CG1-CG1 3.92Å; H49-I772 HydrophobicContact CB-CD1 4.09Å; H49-I772 WeakPolarHBondContact O-CD1 3.41Å; R51-I772 HydrophobicContact CB-CD1 3.88Å; R51-I772 HydrophobicContact CB-CG1 4.49Å; R51-I772 HydrophobicContact CB-CG2 4.38Å; I772-M774 PolarHBondContact O-N 2.69Å; I772-M774 VanDerWaalsContact O-N 3.09Å; I772-A775 WeakPolarHBondContact O-CB 3.34Å; I772-A775 PolarHBondContact O-N 3.43Å; I772-S800 PolarHBondContact N-O 2.83Å
773	G	80.8	Confident	87.6	Confident	13 Å²	13	23.2 Å²	23.2	13%	0.134	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-64.9	-12.1	177.5	0	0	0	0	0	114.6	L27 A771	L27-G773 WeakPolarHBondContact CD1-O 3.17Å; A771-G773 PolarHBondContact O-N 3.01Å
774	M	80.1	Confident	87	Confident	24 Å²	24	30.6 Å²	30.6	12%	0.118	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-96.4	10.1	175.1	-50.5	-56.1	-58.3	0	0	112.6	L27 R770 A771 I772 M777 T778	L27-M774 HydrophobicContact CD1-SD 3.7Å; R770-M774 HydrophobicContact CB-CB 4.44Å; A771-M774 WeakPolarHBondContact O-CB 3.35Å; A771-M774 PolarHBondContact O-N 2.93Å; I772-M774 PolarHBondContact O-N 2.69Å; I772-M774 VanDerWaalsContact O-N 3.09Å; M774-M777 HydrophobicContact CE-CE 3.51Å; M774-M777 HydrophobicContact CE-SD 3.42Å; M774-M777 WeakPolarHBondContact CE-SD 3.37Å; M774-T778 WeakPolarHBondContact O-CB 3.23Å; M774-T778 PolarHBondContact O-N 3.09Å; M774-T778 VanDerWaalsContact O-N 3.11Å; M774-T778 PolarHBondContact O-OG1 3.34Å
775	A	87.8	Confident	86.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57	-62.4	-174.5	0	0	0	0	0	112.8	C30 I772 M777 T778 R779 L799	C30-A775 WeakPolarHBondContact O-CB 3.27Å; I772-A775 WeakPolarHBondContact O-CB 3.34Å; I772-A775 PolarHBondContact O-N 3.43Å; A775-M777 VanDerWaalsContact C-N 3.25Å; A775-M777 PolarHBondContact O-N 2.76Å; A775-T778 CarbonylContact O-C 3.56Å; A775-T778 WeakPolarHBondContact O-CA 3.23Å; A775-T778 PolarHBondContact O-N 3.19Å; A775-R779 PolarHBondContact O-N 3.45Å; A775-L799 HydrophobicContact CB-CD1 3.84Å
776	D	86.3	Confident	85.8	Confident	70 Å²	70	35 Å²	35	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-63.4	-35.9	-170.7	-47.8	-26.4	0	0	0	111.3	T778 R779 G780	D776-T778 VanDerWaalsContact C-N 3.34Å; D776-T778 PolarHBondContact O-N 3.14Å; D776-R779 IonicContact OD1-CZ 3.71Å; D776-R779 IonicContact OD1-NH1 3.78Å; D776-R779 PolarHBondContact OD1-NH1 3.03Å; D776-G780 PolarHBondContact O-N 3.25Å
777	M	82.4	Confident	85.1	Confident	48 Å²	48	36 Å²	36	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-38.7	171.5	-167.8	-167.5	86.8	0	0	112.9	P739 M774 A775 Y781	P739-M777 HydrophobicContact CG-CE 4.21Å; P739-M777 HydrophobicContact CG-CG 3.27Å; P739-M777 HydrophobicContact CG-SD 3.47Å; P739-M777 WeakPolarHBondContact CG-SD 3.12Å; M774-M777 HydrophobicContact CE-CE 3.51Å; M774-M777 HydrophobicContact CE-SD 3.42Å; M774-M777 WeakPolarHBondContact CE-SD 3.37Å; A775-M777 VanDerWaalsContact C-N 3.25Å; A775-M777 PolarHBondContact O-N 2.76Å; M777-Y781 PolarHBondContact O-N 3.03Å; M777-Y781 VanDerWaalsContact O-N 3.15Å
778	T	85.6	Confident	84.5	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-82.7	-40.3	-176.9	-55.2	0	0	0	0	111.3	I724 R770 M774 A775 D776 Y781 L782 L797	I724-T778 HydrophobicContact CD1-CG2 3.64Å; R770-T778 WeakPolarHBondContact CD-OG1 3.3Å; R770-T778 PolarHBondContact NH1-OG1 3.22Å; M774-T778 WeakPolarHBondContact O-CB 3.23Å; M774-T778 PolarHBondContact O-N 3.09Å; M774-T778 VanDerWaalsContact O-N 3.11Å; M774-T778 PolarHBondContact O-OG1 3.34Å; A775-T778 CarbonylContact O-C 3.56Å; A775-T778 WeakPolarHBondContact O-CA 3.23Å; A775-T778 PolarHBondContact O-N 3.19Å; D776-T778 VanDerWaalsContact C-N 3.34Å; D776-T778 PolarHBondContact O-N 3.14Å; T778-Y781 PolarHBondContact O-N 2.96Å; T778-L782 WeakPolarHBondContact O-CG 3.06Å; T778-L782 PolarHBondContact O-N 3.09Å; T778-L782 VanDerWaalsContact O-N 3.08Å; T778-L797 HydrophobicContact CG2-CD1 3.93Å; T778-L797 HydrophobicContact CG2-CD2 3.93Å
779	R	88.9	Confident	84.4	Confident	24 Å²	24	43.9 Å²	43.9	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-48.7	172	-165.5	-174	-62.8	104	-1.8	110.2	C30 D32 E707 A775 D776 Y781 L782 H783 L797	C30-R779 PolarHBondContact O-NH2 3.35Å; D32-R779 IonicContact OD1-CZ 3.21Å; D32-R779 VanDerWaalsContact OD1-CZ 3.27Å; D32-R779 IonicContact OD1-NE 2.89Å; D32-R779 PolarHBondContact OD1-NE 2.86Å; D32-R779 IonicContact OD1-NH2 2.68Å; D32-R779 PolarHBondContact OD1-NH2 2.69Å; D32-R779 IonicContact OD2-NE 2.72Å; E707-R779 PolarHBondContact O-NH1 3.07Å; E707-R779 PolarHBondContact O-NH2 3.34Å; A775-R779 PolarHBondContact O-N 3.45Å; D776-R779 IonicContact OD1-CZ 3.71Å; D776-R779 IonicContact OD1-NH1 3.78Å; D776-R779 PolarHBondContact OD1-NH1 3.03Å; R779-Y781 PolarHBondContact O-N 3.48Å; R779-L782 PolarHBondContact O-N 3Å; R779-L782 VanDerWaalsContact O-N 3.15Å; R779-H783 PolarHBondContact O-CD2 3.17Å; R779-H783 PolarHBondContact O-N 2.88Å; R779-H783 VanDerWaalsContact O-N 3.09Å; R779-L797 HydrophobicContact CB-CD2 3.92Å
780	G	86.6	Confident	84.7	Confident	27 Å²	27	43.8 Å²	43.8	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-56.2	-45.8	173.8	0	0	0	0	0	112.8	D776 L782 H783 W784	D776-G780 PolarHBondContact O-N 3.25Å; G780-L782 PolarHBondContact O-N 3.22Å; G780-H783 PolarHBondContact O-N 2.96Å; G780-W784 PolarHBondContact O-N 2.88Å; G780-W784 VanDerWaalsContact O-N 3.12Å
781	Y	85.6	Confident	85.2	Confident	33 Å²	33	47.2 Å²	47.2	13%	0.129	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-50.1	173.5	166.7	-108.6	0	0	0	112	I724 I728 T729 L738 T746 M777 T778 R779 H783 W784 V785	I724-Y781 HydrophobicContact CG2-CE1 4.26Å; I728-Y781 HydrophobicContact CG2-CE1 4.2Å; T729-Y781 HydrophobicContact CG2-CE1 4.03Å; L738-Y781 HydrophobicContact CB-CD2 4.28Å; L738-Y781 HydrophobicContact CD1-CD1 3.63Å; L738-Y781 HydrophobicContact CD1-CD2 3.98Å; L738-Y781 HydrophobicContact CD1-CE1 3.73Å; L738-Y781 HydrophobicContact CD1-CE2 4.1Å; L738-Y781 HydrophobicContact CD1-CG 3.75Å; L738-Y781 HydrophobicContact CD2-CD2 4.24Å; L738-Y781 HydrophobicContact CD2-CE2 3.82Å; L738-Y781 HydrophobicContact CG-CD2 4.4Å; L738-Y781 HydrophobicContact CG-CE2 4.42Å; T746-Y781 PolarHBondContact OG1-OH 3.28Å; M777-Y781 PolarHBondContact O-N 3.03Å; M777-Y781 VanDerWaalsContact O-N 3.15Å; T778-Y781 PolarHBondContact O-N 2.96Å; R779-Y781 PolarHBondContact O-N 3.48Å; Y781-H783 VanDerWaalsContact C-N 3.33Å; Y781-H783 PolarHBondContact O-N 2.85Å; Y781-W784 CarbonylContact O-C 3.58Å; Y781-W784 PolarHBondContact O-N 3.35Å; Y781-V785 HydrophobicContact CD1-CG2 4.24Å; Y781-V785 HydrophobicContact CD2-CG2 4.03Å; Y781-V785 HydrophobicContact CE1-CG2 3.76Å; Y781-V785 HydrophobicContact CE2-CG2 3.49Å; Y781-V785 VanDerWaalsContact CE2-CG2 3.49Å; Y781-V785 HydrophobicContact CG-CG2 4.38Å; Y781-V785 WeakPolarHBondContact O-CG2 3.49Å; Y781-V785 PolarHBondContact O-N 2.73Å
782	L	89.2	Confident	85.8	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-41.6	-178.9	-68.2	173.7	0	0	0	112.5	I724 I728 Y766 T778 R779 G780 W784 V785 L792 L797	I724-L782 HydrophobicContact CD1-CD1 4.02Å; I724-L782 HydrophobicContact CD1-CD2 4.47Å; I724-L782 HydrophobicContact CG1-CD2 4.5Å; I724-L782 HydrophobicContact CG2-CD2 4.48Å; I728-L782 HydrophobicContact CD1-CD2 3.72Å; Y766-L782 HydrophobicContact CD1-CD1 4.45Å; Y766-L782 HydrophobicContact CD1-CD2 4.44Å; Y766-L782 HydrophobicContact CD2-CD1 4.02Å; Y766-L782 HydrophobicContact CG-CD1 3.9Å; T778-L782 WeakPolarHBondContact O-CG 3.06Å; T778-L782 PolarHBondContact O-N 3.09Å; T778-L782 VanDerWaalsContact O-N 3.08Å; R779-L782 PolarHBondContact O-N 3Å; R779-L782 VanDerWaalsContact O-N 3.15Å; G780-L782 PolarHBondContact O-N 3.22Å; L782-W784 VanDerWaalsContact C-N 3.32Å; L782-W784 PolarHBondContact O-N 3.24Å; L782-V785 PolarHBondContact O-N 3.35Å; L782-L792 HydrophobicContact CD2-CD1 3.71Å; L782-L797 HydrophobicContact CD1-CD1 4.26Å
783	H	86.3	Confident	86.3	Confident	90 Å²	90	47.8 Å²	47.8	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-33	175	-70.1	-64.1	0	0	0	113.6	R779 G780 Y781	R779-H783 PolarHBondContact O-CD2 3.17Å; R779-H783 PolarHBondContact O-N 2.88Å; R779-H783 VanDerWaalsContact O-N 3.09Å; G780-H783 PolarHBondContact O-N 2.96Å; Y781-H783 VanDerWaalsContact C-N 3.33Å; Y781-H783 PolarHBondContact O-N 2.85Å
784	W	85	Confident	87	Confident	225 Å²	225	52.4 Å²	52.4	85%	0.852	28%	0.282	S	S	*	.	H	α-helix	trans	-90.2	-3.1	179.5	-74.1	108.9	0	0	0	114.2	G780 Y781 L782 N786	G780-W784 PolarHBondContact O-N 2.88Å; G780-W784 VanDerWaalsContact O-N 3.12Å; Y781-W784 CarbonylContact O-C 3.58Å; Y781-W784 PolarHBondContact O-N 3.35Å; L782-W784 VanDerWaalsContact C-N 3.32Å; L782-W784 PolarHBondContact O-N 3.24Å; W784-N786 PolarHBondContact O-N 2.72Å; W784-N786 VanDerWaalsContact O-N 3.08Å
785	V	85.4	Confident	87.7	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.024	28%	0.28	C	S	.	.			trans	-67.7	109.8	172.3	171.5	0	0	0	0	109.7	T746 Y781 L782 L791 L792	T746-V785 HydrophobicContact CG2-CG1 3.66Å; Y781-V785 HydrophobicContact CD1-CG2 4.24Å; Y781-V785 HydrophobicContact CD2-CG2 4.03Å; Y781-V785 HydrophobicContact CE1-CG2 3.76Å; Y781-V785 HydrophobicContact CE2-CG2 3.49Å; Y781-V785 VanDerWaalsContact CE2-CG2 3.49Å; Y781-V785 HydrophobicContact CG-CG2 4.38Å; Y781-V785 WeakPolarHBondContact O-CG2 3.49Å; Y781-V785 PolarHBondContact O-N 2.73Å; L782-V785 PolarHBondContact O-N 3.35Å; V785-L791 WeakPolarHBondContact O-CA 3.39Å; V785-L792 HydrophobicContact CB-CD1 3.68Å; V785-L792 HydrophobicContact CB-CG 3.93Å; V785-L792 HydrophobicContact CG1-CD1 3.79Å; V785-L792 HydrophobicContact CG1-CD2 4.44Å; V785-L792 HydrophobicContact CG1-CG 3.75Å; V785-L792 HydrophobicContact CG2-CD1 3.98Å; V785-L792 PolarHBondContact O-N 2.81Å
786	N	84.3	Confident	88.2	Confident	90 Å²	90	51.6 Å²	51.6	48%	0.481	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.6	173.5	-174.2	-22.9	0	0	0	109.3	W784 G789 T790 L791	W784-N786 PolarHBondContact O-N 2.72Å; W784-N786 VanDerWaalsContact O-N 3.08Å; N786-G789 WeakPolarHBondContact OD1-CA 2.98Å; N786-G789 PolarHBondContact OD1-N 3.35Å; N786-T790 WeakPolarHBondContact CA-O 3.44Å; N786-T790 PolarHBondContact OD1-N 3.36Å; N786-L791 HydrophobicContact CB-CD2 3.78Å
787	D	82.3	Confident	88.7	Confident	22 Å²	22	48.3 Å²	48.3	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113	173	178.7	36.9	0	0	0	109.4	G749 A751 G789 T790	G749-D787 WeakPolarHBondContact CA-OD2 3.47Å; G749-D787 PolarHBondContact N-OD2 2.77Å; A751-D787 HydrophobicContact CB-CB 3.9Å; D787-G789 PolarHBondContact O-N 3.33Å; D787-G789 VanDerWaalsContact O-N 3.16Å; D787-T790 PolarHBondContact N-O 3.25Å; D787-T790 PolarHBondContact O-N 3.32Å
788	S	80.6	Confident	89.2	Confident	105 Å²	105	46.4 Å²	46.4	73%	0.734	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	24.5	-178.7	64.9	0	0	0	0	116.2
789	G	84.6	Confident	89.5	Confident	62 Å²	62	46.4 Å²	46.4	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-2.2	-177.3	0	0	0	0	0	114.2	N786 D787	N786-G789 WeakPolarHBondContact OD1-CA 2.98Å; N786-G789 PolarHBondContact OD1-N 3.35Å; D787-G789 PolarHBondContact O-N 3.33Å; D787-G789 VanDerWaalsContact O-N 3.16Å
790	T	89.6	Confident	89.3	Confident	36 Å²	36	45.5 Å²	45.5	22%	0.221	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.4	176	-47.1	0	0	0	0	110.1	A751 N755 N786 D787	A751-T790 HydrophobicContact CB-CG2 4.37Å; A751-T790 VanDerWaalsContact CB-O 3.3Å; A751-T790 WeakPolarHBondContact CB-O 3.47Å; N755-T790 HydrophobicContact CB-CG2 3.67Å; N786-T790 WeakPolarHBondContact CA-O 3.44Å; N786-T790 PolarHBondContact OD1-N 3.36Å; D787-T790 PolarHBondContact N-O 3.25Å; D787-T790 PolarHBondContact O-N 3.32Å
791	L	92.3	Very high	88.9	Confident	90 Å²	90	46.4 Å²	46.4	47%	0.471	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	163.6	174.4	-59.9	179.7	0	0	0	111.3	V785 N786	V785-L791 WeakPolarHBondContact O-CA 3.39Å; N786-L791 HydrophobicContact CB-CD2 3.78Å
792	L	94	Very high	88.2	Confident	17 Å²	17	45.9 Å²	45.9	9%	0.089	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-68.7	143.9	165.1	-68.5	174.9	0	0	0	110.4	I728 A751 Y754 L782 V785	I728-L792 HydrophobicContact CD1-CD1 4.24Å; I728-L792 HydrophobicContact CG2-CD1 4.16Å; A751-L792 HydrophobicContact CB-CD2 4.21Å; Y754-L792 HydrophobicContact CD2-CD2 3.81Å; Y754-L792 HydrophobicContact CG-CD2 4.44Å; L782-L792 HydrophobicContact CD2-CD1 3.71Å; V785-L792 HydrophobicContact CB-CD1 3.68Å; V785-L792 HydrophobicContact CB-CG 3.93Å; V785-L792 HydrophobicContact CG1-CD1 3.79Å; V785-L792 HydrophobicContact CG1-CD2 4.44Å; V785-L792 HydrophobicContact CG1-CG 3.75Å; V785-L792 HydrophobicContact CG2-CD1 3.98Å; V785-L792 PolarHBondContact O-N 2.81Å
793	P	95.5	Very high	86.8	Confident	10 Å²	10	46 Å²	46	7%	0.065	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-66	151.4	171.7	30.2	-35.6	0	0	0	110.8	H758 F764 Y766	H758-P793 HydrophobicContact CB-CB 3.67Å; H758-P793 HydrophobicContact CB-CG 4.07Å; F764-P793 HydrophobicContact CB-CG 4.37Å; F764-P793 HydrophobicContact CD2-CB 4.29Å; F764-P793 HydrophobicContact CD2-CG 3.48Å; F764-P793 VanDerWaalsContact CD2-CG 3.48Å; F764-P793 HydrophobicContact CE2-CG 3.9Å; F764-P793 HydrophobicContact CG-CG 3.87Å; Y766-P793 PolarHBondContact OH-O 3.05Å
794	Q	94	Very high	85.1	Confident	109 Å²	109	45.9 Å²	45.9	51%	0.509	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-70.9	143.5	176	-68.5	-178.1	-12.7	0	0	111.4	Y711	Y711-Q794 HydrophobicContact CE1-CB 4.49Å
795	G	96.4	Very high	83	Confident	7 Å²	7	41 Å²	41	7%	0.072	24%	0.241	C	C	.	.			trans	-173.4	154.3	177.4	0	0	0	0	0	111.6	Y711 F764	Y711-G795 VanDerWaalsContact OH-C 3.32Å; Y711-G795 PolarHBondContact OH-N 3.48Å; Y711-G795 PolarHBondContact OH-O 2.97Å; F764-G795 WeakPolarHBondContact O-CA 3.21Å
796	P	97.4	Very high	81	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.258	C	S	.	.			trans	-60.4	135.8	-177.7	20.6	-31.3	0	0	0	112.7	D32 I34 Y711 W713 F764 L765 Y766	D32-P796 HydrophobicContact CB-CB 3.9Å; I34-P796 HydrophobicContact CD1-CB 4.18Å; I34-P796 HydrophobicContact CD1-CG 3.68Å; I34-P796 HydrophobicContact CG1-CB 3.91Å; I34-P796 HydrophobicContact CG1-CG 3.77Å; Y711-P796 HydrophobicContact CD2-CB 3.62Å; Y711-P796 HydrophobicContact CD2-CG 4.04Å; Y711-P796 VanDerWaalsContact CE2-CA 3.42Å; Y711-P796 HydrophobicContact CE2-CB 3.85Å; Y711-P796 HydrophobicContact CE2-CG 4.43Å; Y711-P796 HydrophobicContact CG-CB 4.34Å; Y711-P796 HydrophobicContact CG-CG 4.28Å; W713-P796 HydrophobicContact CH2-CG 3.51Å; W713-P796 HydrophobicContact CZ2-CG 3.77Å; W713-P796 HydrophobicContact CZ3-CG 4.33Å; F764-P796 WeakPolarHBondContact O-CD 3.42Å; L765-P796 HydrophobicContact CD1-CB 4.47Å; L765-P796 HydrophobicContact CD1-CG 3.92Å; Y766-P796 PolarHBondContact N-O 3.27Å
797	L	95.9	Very high	78.5	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.6	173.9	175.3	60.5	0	0	0	111.3	I31 D32 I724 T778 R779 L782 L799	I31-L797 VanDerWaalsContact CG2-O 3.29Å; I31-L797 WeakPolarHBondContact CG2-O 3.42Å; D32-L797 PolarHBondContact N-O 2.97Å; D32-L797 WeakPolarHBondContact OD2-CB 3.49Å; D32-L797 PolarHBondContact OD2-N 2.99Å; I724-L797 HydrophobicContact CD1-CD1 3.42Å; I724-L797 VanDerWaalsContact CD1-CD1 3.42Å; T778-L797 HydrophobicContact CG2-CD1 3.93Å; T778-L797 HydrophobicContact CG2-CD2 3.93Å; R779-L797 HydrophobicContact CB-CD2 3.92Å; L782-L797 HydrophobicContact CD1-CD1 4.26Å; L797-L799 HydrophobicContact CD1-CD2 3.86Å; L797-L799 HydrophobicContact CD1-CG 4.22Å; L797-L799 HydrophobicContact CD2-CD1 4.22Å; L797-L799 HydrophobicContact CD2-CG 4.47Å; L797-L799 HydrophobicContact CG-CD1 4.29Å; L797-L799 HydrophobicContact CG-CD2 4.2Å; L797-L799 HydrophobicContact CG-CG 4.01Å
798	M	94.3	Very high	76.6	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.8	174.6	-57.8	-53.7	-56.1	0	0	111.7	I31 I34 L765 Y766 C767 S768 I828	I31-M798 HydrophobicContact CG2-CE 3.8Å; I31-M798 HydrophobicContact CG2-SD 4.02Å; I34-M798 HydrophobicContact CD1-SD 4.43Å; L765-M798 HydrophobicContact CD1-CG 3.58Å; Y766-M798 PolarHBondContact O-N 3.06Å; C767-M798 WeakPolarHBondContact CA-O 3.47Å; S768-M798 PolarHBondContact N-O 3.37Å; M798-I828 HydrophobicContact CE-CD1 4.08Å; M798-I828 HydrophobicContact CG-CD1 3.71Å; M798-I828 HydrophobicContact SD-CD1 3.99Å
799	L	90.4	Very high	75	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	168.2	-176.6	-65	-176.9	0	0	0	111.9	I31 R770 A775 L797 P801 F820	I31-L799 HydrophobicContact CD1-CB 4.05Å; I31-L799 WeakPolarHBondContact CD1-O 3.36Å; I31-L799 HydrophobicContact CG1-CB 4.23Å; R770-L799 HydrophobicContact CB-CD2 4.1Å; A775-L799 HydrophobicContact CB-CD1 3.84Å; L797-L799 HydrophobicContact CD1-CD2 3.86Å; L797-L799 HydrophobicContact CD1-CG 4.22Å; L797-L799 HydrophobicContact CD2-CD1 4.22Å; L797-L799 HydrophobicContact CD2-CG 4.47Å; L797-L799 HydrophobicContact CG-CD1 4.29Å; L797-L799 HydrophobicContact CG-CD2 4.2Å; L797-L799 HydrophobicContact CG-CG 4.01Å; L799-P801 WeakPolarHBondContact O-CD 3.33Å; L799-F820 WeakPolarHBondContact O-CE2 3.34Å; L799-F820 WeakPolarHBondContact O-CZ 3.43Å
800	S	85.6	Confident	73.1	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.028	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	121.4	168.8	179.6	0	0	0	0	109.7	R770 A771 I772 S802	R770-S800 WeakPolarHBondContact O-CB 3.48Å; R770-S800 PolarHBondContact O-N 2.85Å; A771-S800 CarbonylContact C-O 3.55Å; I772-S800 PolarHBondContact N-O 2.83Å; S800-S802 PolarHBondContact O-N 3.05Å
801	P	78.6	Confident	70.9	Confident	46 Å²	46	57.8 Å²	57.8	30%	0.299	30%	0.295	S	S	.	.			trans	-71.2	-11.5	179.6	30.1	-35.9	0	0	0	112.7	I31 H49 L799	I31-P801 HydrophobicContact CD1-CB 4.16Å; H49-P801 HydrophobicContact CB-CB 4.3Å; L799-P801 WeakPolarHBondContact O-CD 3.33Å
802	S	70.1	Confident	68.7	Low	23 Å²	23	57.5 Å²	57.5	16%	0.161	30%	0.297	C	S	.	.	S	Bend	trans	-69.1	137.6	174.5	-55.4	0	0	0	0	111.6	A771 S800 H809 I813	A771-S802 VanDerWaalsContact CB-O 3.27Å; A771-S802 WeakPolarHBondContact CB-O 3.19Å; S800-S802 PolarHBondContact O-N 3.05Å; S802-H809 PolarHBondContact OG-CE1 3.25Å; S802-H809 PolarHBondContact OG-ND1 2.89Å; S802-I813 WeakPolarHBondContact OG-CD1 3.49Å
803	S	60.5	Low	66.4	Low	15 Å²	15	58.1 Å²	58.1	11%	0.105	30%	0.3	C	S	.	.			trans	-85	150.7	166.5	-178.7	0	0	0	0	110.8	R51 F805 S806	R51-S803 VanDerWaalsContact NE-CB 3.29Å; R51-S803 PolarHBondContact NE-OG 3.08Å; S803-F805 PolarHBondContact O-N 3.43Å; S803-S806 PolarHBondContact O-N 2.89Å; S803-S806 PolarHBondContact O-OG 2.68Å
804	L	51.4	Low	64.3	Low	89 Å²	89	63.5 Å²	63.5	47%	0.466	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.3	-176.6	-68.3	142.9	0	0	0	114.2	Q24 A771	Q24-L804 HydrophobicContact CB-CB 4.32Å; Q24-L804 HydrophobicContact CB-CD1 3.8Å; Q24-L804 HydrophobicContact CG-CD1 3.99Å; A771-L804 HydrophobicContact CB-CD1 3.73Å; A771-L804 HydrophobicContact CB-CD2 4.28Å; A771-L804 HydrophobicContact CB-CG 3.66Å
805	F	39.7	Very low	62.3	Low	121 Å²	121	65.1 Å²	65.1	53%	0.531	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.5	-176.3	-84.8	-101.4	0	0	0	115.4	Q24 A25 S803 A807	Q24-F805 HydrophobicContact CB-CE2 4.03Å; A25-F805 HydrophobicContact CB-CD1 3.84Å; A25-F805 HydrophobicContact CB-CD2 3.61Å; A25-F805 HydrophobicContact CB-CE1 3.81Å; A25-F805 HydrophobicContact CB-CE2 3.6Å; A25-F805 HydrophobicContact CB-CG 3.74Å; A25-F805 HydrophobicContact CB-CZ 3.7Å; S803-F805 PolarHBondContact O-N 3.43Å; F805-A807 PolarHBondContact O-N 3.18Å
806	S	43.1	Very low	60.9	Low	53 Å²	53	69.9 Å²	69.9	37%	0.371	35%	0.349	S	S	.	.			trans	-78.7	86.1	167.9	46.3	0	0	0	0	109.9	S803 F808 H809	S803-S806 PolarHBondContact O-N 2.89Å; S803-S806 PolarHBondContact O-OG 2.68Å; S806-F808 PolarHBondContact O-N 3.2Å; S806-H809 WeakPolarHBondContact O-CB 3.2Å; S806-H809 PolarHBondContact O-N 2.75Å; S806-H809 WeakPolarHBondContact OG-CB 3.48Å
807	A	32.8	Very low	59.5	Low	81 Å²	81	70.6 Å²	70.6	67%	0.669	35%	0.353	S	S	*	.	H	α-helix	trans	-54.8	-29.3	-167.8	0	0	0	0	0	115.6	F805 R810	F805-A807 PolarHBondContact O-N 3.18Å; A807-R810 WeakPolarHBondContact O-CB 3.07Å
808	F	42.2	Very low	58.5	Low	178 Å²	178	71.7 Å²	71.7	78%	0.781	36%	0.358	S	S	*	.	H	α-helix	trans	-77.9	-25.1	175.1	-71.1	-81.1	0	0	0	113.9	S806 R810 E811	S806-F808 PolarHBondContact O-N 3.2Å; F808-R810 PolarHBondContact O-N 2.83Å; F808-E811 PolarHBondContact O-N 3.48Å
809	H	47.5	Very low	57.8	Low	87 Å²	87	77.4 Å²	77.4	40%	0.403	38%	0.383	S	S	.	.	H	α-helix	trans	-70.5	-22.2	176.7	-116.2	-93.3	0	0	0	112.5	S802 S806 E811 V812 I813	S802-H809 PolarHBondContact OG-CE1 3.25Å; S802-H809 PolarHBondContact OG-ND1 2.89Å; S806-H809 WeakPolarHBondContact O-CB 3.2Å; S806-H809 PolarHBondContact O-N 2.75Å; S806-H809 WeakPolarHBondContact OG-CB 3.48Å; H809-E811 VanDerWaalsContact C-N 3.31Å; H809-E811 PolarHBondContact O-N 2.73Å; H809-V812 PolarHBondContact O-N 3.47Å; H809-I813 VanDerWaalsContact ND1-CD1 3.3Å; H809-I813 WeakPolarHBondContact ND1-CD1 3.15Å; H809-I813 PolarHBondContact O-N 2.9Å
810	R	43.3	Very low	57.5	Low	163 Å²	163	78.2 Å²	78.2	62%	0.615	39%	0.386	S	S	*	.	I	π-helix	trans	-57	-46.3	171.1	-170.2	172.6	-171.4	158.3	16.3	110.6	A807 F808 V812 E814	A807-R810 WeakPolarHBondContact O-CB 3.07Å; F808-R810 PolarHBondContact O-N 2.83Å; R810-V812 VanDerWaalsContact C-N 3.29Å; R810-V812 PolarHBondContact O-N 3.47Å; R810-E814 HydrophobicContact CG-CB 4.2Å; R810-E814 WeakPolarHBondContact CG-OE2 3.43Å; R810-E814 IonicContact CZ-OE1 3.5Å; R810-E814 IonicContact CZ-OE2 3.16Å; R810-E814 VanDerWaalsContact NE-CD 3.31Å; R810-E814 IonicContact NE-OE1 3.83Å; R810-E814 PolarHBondContact NE-OE1 3.24Å; R810-E814 IonicContact NE-OE2 2.94Å; R810-E814 PolarHBondContact NE-OE2 3.35Å; R810-E814 IonicContact NH2-OE1 2.65Å; R810-E814 PolarHBondContact NH2-OE1 3.47Å; R810-E814 IonicContact NH2-OE2 3.29Å; R810-E814 PolarHBondContact NH2-OE2 3.15Å; R810-E814 WeakPolarHBondContact O-CA 3.37Å; R810-E814 WeakPolarHBondContact O-CB 3.3Å; R810-E814 PolarHBondContact O-N 3.38Å
811	E	44.2	Very low	57.7	Low	111 Å²	111	78.2 Å²	78.2	52%	0.519	39%	0.386	S	S	.	.	I	π-helix	trans	-64.6	-30.3	179.1	178.4	152.1	-134.8	0	0	113.6	F808 H809 K815	F808-E811 PolarHBondContact O-N 3.48Å; H809-E811 VanDerWaalsContact C-N 3.31Å; H809-E811 PolarHBondContact O-N 2.73Å; E811-K815 HydrophobicContact CG-CD 4.08Å; E811-K815 VanDerWaalsContact O-CB 3.27Å; E811-K815 WeakPolarHBondContact O-CB 3.29Å; E811-K815 WeakPolarHBondContact O-CD 3.41Å; E811-K815 VanDerWaalsContact O-CG 3.23Å; E811-K815 WeakPolarHBondContact O-CG 3.24Å; E811-K815 IonicContact OE1-NZ 3.27Å; E811-K815 PolarHBondContact OE1-NZ 3.35Å
812	V	45.2	Very low	58.3	Low	83 Å²	83	77.5 Å²	77.5	50%	0.503	38%	0.379	S	S	.	.	I	π-helix	trans	-87.8	-46.1	-177.5	-175.6	0	0	0	0	112.4	H809 R810 K816	H809-V812 PolarHBondContact O-N 3.47Å; R810-V812 VanDerWaalsContact C-N 3.29Å; R810-V812 PolarHBondContact O-N 3.47Å; V812-K816 PolarHBondContact O-N 2.92Å
813	I	47.5	Very low	59.2	Low	31 Å²	31	83.2 Å²	83.2	16%	0.159	40%	0.403	C	S	.	.	I	π-helix	trans	-87	-38.1	-175.3	-63.1	-174.8	0	0	0	112.1	S802 H809 K815 K816 P817	S802-I813 WeakPolarHBondContact OG-CD1 3.49Å; H809-I813 VanDerWaalsContact ND1-CD1 3.3Å; H809-I813 WeakPolarHBondContact ND1-CD1 3.15Å; H809-I813 PolarHBondContact O-N 2.9Å; I813-K815 VanDerWaalsContact C-N 3.33Å; I813-K815 PolarHBondContact O-N 3Å; I813-K816 CarbonylContact O-C 3.57Å; I813-K816 PolarHBondContact O-N 3.28Å; I813-P817 WeakPolarHBondContact O-CD 3.39Å; I813-P817 VanDerWaalsContact O-N 3.16Å
814	E	49.6	Very low	60.7	Low	123 Å²	123	83.2 Å²	83.2	58%	0.575	40%	0.403	S	S	*	.	I	π-helix	trans	-71.7	-29.8	-179.5	-154.3	179.2	-131.8	0	0	111.4	R810	R810-E814 HydrophobicContact CG-CB 4.2Å; R810-E814 WeakPolarHBondContact CG-OE2 3.43Å; R810-E814 IonicContact CZ-OE1 3.5Å; R810-E814 IonicContact CZ-OE2 3.16Å; R810-E814 VanDerWaalsContact NE-CD 3.31Å; R810-E814 IonicContact NE-OE1 3.83Å; R810-E814 PolarHBondContact NE-OE1 3.24Å; R810-E814 IonicContact NE-OE2 2.94Å; R810-E814 PolarHBondContact NE-OE2 3.35Å; R810-E814 IonicContact NH2-OE1 2.65Å; R810-E814 PolarHBondContact NH2-OE1 3.47Å; R810-E814 IonicContact NH2-OE2 3.29Å; R810-E814 PolarHBondContact NH2-OE2 3.15Å; R810-E814 WeakPolarHBondContact O-CA 3.37Å; R810-E814 WeakPolarHBondContact O-CB 3.3Å; R810-E814 PolarHBondContact O-N 3.38Å
815	K	53.5	Low	62.8	Low	143 Å²	143	79 Å²	79	62%	0.622	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-24.3	172.8	-63	-174	177.9	175.8	0	114.1	E811 I813	E811-K815 HydrophobicContact CG-CD 4.08Å; E811-K815 VanDerWaalsContact O-CB 3.27Å; E811-K815 WeakPolarHBondContact O-CB 3.29Å; E811-K815 WeakPolarHBondContact O-CD 3.41Å; E811-K815 VanDerWaalsContact O-CG 3.23Å; E811-K815 WeakPolarHBondContact O-CG 3.24Å; E811-K815 IonicContact OE1-NZ 3.27Å; E811-K815 PolarHBondContact OE1-NZ 3.35Å; I813-K815 VanDerWaalsContact C-N 3.33Å; I813-K815 PolarHBondContact O-N 3Å
816	K	65.6	Low	65.5	Low	107 Å²	107	75.7 Å²	75.7	47%	0.465	37%	0.371	S	S	.	.			trans	-142.9	63.8	-174.8	-68.6	-157.3	173.9	-166.4	0	113.9	V812 I813 E818 K819	V812-K816 PolarHBondContact O-N 2.92Å; I813-K816 CarbonylContact O-C 3.57Å; I813-K816 PolarHBondContact O-N 3.28Å; K816-E818 WeakPolarHBondContact CA-OE1 3.45Å; K816-E818 WeakPolarHBondContact CB-OE1 3.43Å; K816-E818 VanDerWaalsContact CG-OE1 3.3Å; K816-E818 WeakPolarHBondContact CG-OE1 3.23Å; K816-E818 PolarHBondContact O-N 2.79Å; K816-K819 HydrophobicContact CB-CD 4.21Å; K816-K819 HydrophobicContact CB-CG 4.19Å; K816-K819 HydrophobicContact CD-CD 4.37Å; K816-K819 PolarHBondContact O-N 3.38Å; K816-K819 VanDerWaalsContact O-N 3.14Å
817	P	68.1	Low	67.9	Low	15 Å²	15	75.4 Å²	75.4	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-23.7	-178.5	27.1	-36	0	0	0	113.7	A769 I813 K819 F820 K821	A769-P817 HydrophobicContact CB-CB 4.24Å; I813-P817 WeakPolarHBondContact O-CD 3.39Å; I813-P817 VanDerWaalsContact O-N 3.16Å; P817-K819 VanDerWaalsContact C-N 3.29Å; P817-K819 PolarHBondContact O-N 3.38Å; P817-F820 PolarHBondContact O-N 3.39Å; P817-K821 PolarHBondContact O-N 2.68Å
818	E	75.6	Confident	70.9	Confident	25 Å²	25	71.6 Å²	71.6	12%	0.117	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-38.4	173.4	63.7	-68.5	165.6	0	0	112.5	K816 F820 K821 I822 N848	K816-E818 WeakPolarHBondContact CA-OE1 3.45Å; K816-E818 WeakPolarHBondContact CB-OE1 3.43Å; K816-E818 VanDerWaalsContact CG-OE1 3.3Å; K816-E818 WeakPolarHBondContact CG-OE1 3.23Å; K816-E818 PolarHBondContact O-N 2.79Å; E818-F820 VanDerWaalsContact C-N 3.34Å; E818-F820 PolarHBondContact O-N 3.38Å; E818-K821 PolarHBondContact O-N 3.05Å; E818-K821 VanDerWaalsContact O-N 3.11Å; E818-I822 HydrophobicContact CB-CD1 4.22Å; E818-I822 HydrophobicContact CG-CD1 4.35Å; E818-I822 WeakPolarHBondContact O-CB 3.47Å; E818-I822 VanDerWaalsContact O-CD1 3.29Å; E818-I822 WeakPolarHBondContact O-CD1 3.35Å; E818-I822 WeakPolarHBondContact O-CG1 3.19Å; E818-I822 PolarHBondContact O-N 3.3Å; E818-N848 HydrophobicContact CB-CB 4.08Å; E818-N848 PolarHBondContact OE2-ND2 3.04Å
819	K	80.3	Confident	73.5	Confident	126 Å²	126	65.4 Å²	65.4	55%	0.548	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-47.2	-178.6	-76.9	-170.8	166.3	-162.2	0	111.6	K816 P817 I822 E823	K816-K819 HydrophobicContact CB-CD 4.21Å; K816-K819 HydrophobicContact CB-CG 4.19Å; K816-K819 HydrophobicContact CD-CD 4.37Å; K816-K819 PolarHBondContact O-N 3.38Å; K816-K819 VanDerWaalsContact O-N 3.14Å; P817-K819 VanDerWaalsContact C-N 3.29Å; P817-K819 PolarHBondContact O-N 3.38Å; K819-I822 PolarHBondContact O-N 3.28Å; K819-E823 WeakPolarHBondContact O-CB 3.36Å; K819-E823 PolarHBondContact O-N 3.16Å
820	F	82.9	Confident	75.8	Confident	19 Å²	19	64.9 Å²	64.9	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-44.8	175.7	160.1	-104.9	0	0	0	111.5	L799 P817 E818 E823 C824	L799-F820 WeakPolarHBondContact O-CE2 3.34Å; L799-F820 WeakPolarHBondContact O-CZ 3.43Å; P817-F820 PolarHBondContact O-N 3.39Å; E818-F820 VanDerWaalsContact C-N 3.34Å; E818-F820 PolarHBondContact O-N 3.38Å; F820-E823 PolarHBondContact O-N 2.92Å; F820-C824 HydrophobicContact CD2-CB 4.36Å; F820-C824 HydrophobicContact CE2-CB 3.81Å; F820-C824 HydrophobicContact CZ-CB 4.01Å; F820-C824 WeakPolarHBondContact O-CB 3.19Å; F820-C824 PolarHBondContact O-N 3.17Å
821	K	89.3	Confident	78.3	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-42.5	177.9	-71.3	-172	175.5	180	0	112.2	D723 P817 E818 L825 D849 A852	D723-K821 IonicContact OD2-NZ 3.7Å; D723-K821 PolarHBondContact OD2-NZ 2.78Å; P817-K821 PolarHBondContact O-N 2.68Å; E818-K821 PolarHBondContact O-N 3.05Å; E818-K821 VanDerWaalsContact O-N 3.11Å; K821-L825 WeakPolarHBondContact O-CB 3.25Å; K821-L825 WeakPolarHBondContact O-CD1 3.35Å; K821-L825 WeakPolarHBondContact O-CG 3.49Å; K821-L825 PolarHBondContact O-N 2.99Å; K821-D849 VanDerWaalsContact NZ-CG 3.27Å; K821-D849 IonicContact NZ-OD1 3.39Å; K821-D849 PolarHBondContact NZ-OD1 3.01Å; K821-D849 IonicContact NZ-OD2 3.18Å; K821-A852 HydrophobicContact CB-CB 4.08Å
822	I	91.5	Very high	80.8	Confident	31 Å²	31	51.9 Å²	51.9	16%	0.159	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-51.6	176.2	-66.9	154.1	0	0	0	110.2	E818 K819 T826 F851 A852	E818-I822 HydrophobicContact CB-CD1 4.22Å; E818-I822 HydrophobicContact CG-CD1 4.35Å; E818-I822 WeakPolarHBondContact O-CB 3.47Å; E818-I822 VanDerWaalsContact O-CD1 3.29Å; E818-I822 WeakPolarHBondContact O-CD1 3.35Å; E818-I822 WeakPolarHBondContact O-CG1 3.19Å; E818-I822 PolarHBondContact O-N 3.3Å; K819-I822 PolarHBondContact O-N 3.28Å; I822-T826 WeakPolarHBondContact O-CB 3.48Å; I822-T826 PolarHBondContact O-N 3Å; I822-T826 PolarHBondContact O-OG1 3.22Å; I822-F851 HydrophobicContact CD1-CD1 4.15Å; I822-F851 HydrophobicContact CD1-CE1 3.96Å; I822-A852 HydrophobicContact CD1-CB 4.5Å; I822-A852 HydrophobicContact CG1-CB 3.66Å
823	E	90	Very high	82.8	Confident	142 Å²	142	52.4 Å²	52.4	66%	0.664	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-53.5	-179.4	-175.5	176.8	-176.5	0	0	111.4	K819 F820 L825 T826 D827	K819-E823 WeakPolarHBondContact O-CB 3.36Å; K819-E823 PolarHBondContact O-N 3.16Å; F820-E823 PolarHBondContact O-N 2.92Å; E823-L825 PolarHBondContact O-N 3.2Å; E823-T826 PolarHBondContact O-N 3.44Å; E823-D827 WeakPolarHBondContact O-CB 3.47Å; E823-D827 PolarHBondContact O-N 3.49Å
824	C	92.1	Very high	84.6	Confident	15 Å²	15	54.9 Å²	54.9	10%	0.101	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-47.2	179.9	-179.5	0	0	0	0	112.7	F820 D827 I828	F820-C824 HydrophobicContact CD2-CB 4.36Å; F820-C824 HydrophobicContact CE2-CB 3.81Å; F820-C824 HydrophobicContact CZ-CB 4.01Å; F820-C824 WeakPolarHBondContact O-CB 3.19Å; F820-C824 PolarHBondContact O-N 3.17Å; C824-D827 PolarHBondContact O-N 2.65Å; C824-I828 VanDerWaalsContact O-CG1 3.31Å; C824-I828 WeakPolarHBondContact O-CG1 3.5Å; C824-I828 PolarHBondContact O-N 2.78Å
825	L	95.3	Very high	86.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-72.6	-30.8	179.7	-66.4	169.2	0	0	0	112.2	I721 L765 K821 E823 K829 F839 Y853 V856	I721-L825 HydrophobicContact CD1-CD1 4.11Å; I721-L825 HydrophobicContact CD1-CD2 3.93Å; I721-L825 HydrophobicContact CG1-CD2 4.1Å; I721-L825 HydrophobicContact CG2-CD1 4.38Å; I721-L825 HydrophobicContact CG2-CD2 4.11Å; L765-L825 HydrophobicContact CD2-CD2 3.78Å; K821-L825 WeakPolarHBondContact O-CB 3.25Å; K821-L825 WeakPolarHBondContact O-CD1 3.35Å; K821-L825 WeakPolarHBondContact O-CG 3.49Å; K821-L825 PolarHBondContact O-N 2.99Å; E823-L825 PolarHBondContact O-N 3.2Å; L825-K829 VanDerWaalsContact O-CB 3.32Å; L825-K829 WeakPolarHBondContact O-CB 3.3Å; L825-K829 PolarHBondContact O-N 3.43Å; L825-F839 HydrophobicContact CB-CE2 4.22Å; L825-F839 HydrophobicContact CB-CZ 4.24Å; L825-F839 HydrophobicContact CD2-CE1 4.46Å; L825-F839 HydrophobicContact CD2-CZ 4.1Å; L825-F839 VanDerWaalsContact O-CE2 3.27Å; L825-F839 WeakPolarHBondContact O-CE2 3.5Å; L825-F839 VanDerWaalsContact O-CZ 3.3Å; L825-F839 WeakPolarHBondContact O-CZ 3.48Å; L825-Y853 HydrophobicContact CD1-CD1 3.92Å; L825-Y853 HydrophobicContact CD1-CE1 3.9Å; L825-V856 HydrophobicContact CB-CB 4.38Å; L825-V856 HydrophobicContact CB-CG1 3.71Å; L825-V856 HydrophobicContact CB-CG2 4.21Å
826	T	95.2	Very high	87.9	Confident	51 Å²	51	47.6 Å²	47.6	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-68.3	-41.6	172.7	-58.6	0	0	0	0	110.9	I822 E823 K829 N830 V856	I822-T826 WeakPolarHBondContact O-CB 3.48Å; I822-T826 PolarHBondContact O-N 3Å; I822-T826 PolarHBondContact O-OG1 3.22Å; E823-T826 PolarHBondContact O-N 3.44Å; T826-K829 WeakPolarHBondContact O-CB 3.33Å; T826-K829 PolarHBondContact O-N 3.02Å; T826-N830 PolarHBondContact O-N 2.98Å; T826-N830 PolarHBondContact O-ND2 2.93Å; T826-V856 WeakPolarHBondContact OG1-CG1 3.33Å
827	D	94.4	Very high	89.1	Confident	48 Å²	48	48.2 Å²	48.2	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-42.2	177.1	-168.6	33.4	0	0	0	111.7	P47 R674 E823 C824 N830	P47-D827 WeakPolarHBondContact CD-OD2 3.35Å; R674-D827 IonicContact CZ-OD1 3.47Å; R674-D827 IonicContact CZ-OD2 3.9Å; R674-D827 IonicContact NH2-OD1 3.54Å; R674-D827 PolarHBondContact NH2-OD1 2.65Å; R674-D827 IonicContact NH2-OD2 3.31Å; R674-D827 PolarHBondContact NH2-OD2 2.7Å; E823-D827 WeakPolarHBondContact O-CB 3.47Å; E823-D827 PolarHBondContact O-N 3.49Å; C824-D827 PolarHBondContact O-N 2.65Å; D827-N830 PolarHBondContact O-N 3.19Å
828	I	96.6	Very high	90.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-44	172.8	-69	167	0	0	0	111.5	I34 L765 M798 C824 N830 L831 F832 F839	I34-I828 HydrophobicContact CD1-CD1 3.93Å; I34-I828 HydrophobicContact CD1-CG1 4.09Å; I34-I828 HydrophobicContact CD1-CG2 3.98Å; L765-I828 HydrophobicContact CD1-CD1 4.13Å; L765-I828 HydrophobicContact CD2-CD1 3.97Å; L765-I828 HydrophobicContact CD2-CG2 4.1Å; M798-I828 HydrophobicContact CE-CD1 4.08Å; M798-I828 HydrophobicContact CG-CD1 3.71Å; M798-I828 HydrophobicContact SD-CD1 3.99Å; C824-I828 VanDerWaalsContact O-CG1 3.31Å; C824-I828 WeakPolarHBondContact O-CG1 3.5Å; C824-I828 PolarHBondContact O-N 2.78Å; I828-N830 PolarHBondContact O-N 3.29Å; I828-L831 WeakPolarHBondContact O-CB 3.43Å; I828-L831 WeakPolarHBondContact O-CG 3.35Å; I828-L831 PolarHBondContact O-N 3.34Å; I828-F832 HydrophobicContact CG2-CE2 4Å; I828-F832 VanDerWaalsContact O-CD2 3.26Å; I828-F832 WeakPolarHBondContact O-CD2 3.35Å; I828-F832 WeakPolarHBondContact O-CE2 3.31Å; I828-F839 HydrophobicContact CB-CZ 4.27Å; I828-F839 HydrophobicContact CG2-CE1 4.07Å; I828-F839 HydrophobicContact CG2-CZ 3.93Å
829	K	96.1	Very high	91.5	Very high	48 Å²	48	46.7 Å²	46.7	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-54.2	-42.5	176.6	-179.1	-176.2	-176.8	169.8	0	111.5	L825 T826 L831 F832 T836 P838 F839 V856	L825-K829 VanDerWaalsContact O-CB 3.32Å; L825-K829 WeakPolarHBondContact O-CB 3.3Å; L825-K829 PolarHBondContact O-N 3.43Å; T826-K829 WeakPolarHBondContact O-CB 3.33Å; T826-K829 PolarHBondContact O-N 3.02Å; K829-L831 PolarHBondContact O-N 3.11Å; K829-F832 PolarHBondContact O-N 3.41Å; K829-T836 WeakPolarHBondContact CE-O 3.33Å; K829-P838 HydrophobicContact CB-CG 4.47Å; K829-P838 HydrophobicContact CG-CG 4.11Å; K829-F839 HydrophobicContact CB-CE2 3.83Å; K829-F839 HydrophobicContact CB-CZ 4.33Å; K829-F839 HydrophobicContact CG-CE2 4.48Å; K829-V856 WeakPolarHBondContact CD-O 3.42Å; K829-V856 WeakPolarHBondContact CE-O 3.42Å; K829-V856 PolarHBondContact NZ-O 2.97Å
830	N	95.4	Very high	92.2	Very high	76 Å²	76	41.7 Å²	41.7	41%	0.406	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.2	-14.9	-178.2	-66.8	-22.5	0	0	0	113.7	T826 D827 I828 F832 H833	T826-N830 PolarHBondContact O-N 2.98Å; T826-N830 PolarHBondContact O-ND2 2.93Å; D827-N830 PolarHBondContact O-N 3.19Å; I828-N830 PolarHBondContact O-N 3.29Å; N830-F832 VanDerWaalsContact C-N 3.28Å; N830-F832 PolarHBondContact O-N 2.96Å; N830-H833 PolarHBondContact O-ND1 3.46Å
831	L	96.2	Very high	92.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-72.3	-18.5	174.2	-52.8	178.8	0	0	0	113.3	I34 V36 Q38 H44 C45 I828 K829	I34-L831 HydrophobicContact CB-CD1 4.19Å; I34-L831 HydrophobicContact CG2-CD1 4.39Å; V36-L831 HydrophobicContact CB-CB 4.16Å; V36-L831 WeakPolarHBondContact CB-O 3.38Å; V36-L831 WeakPolarHBondContact CG1-O 3.19Å; V36-L831 HydrophobicContact CG2-CB 3.64Å; V36-L831 HydrophobicContact CG2-CD1 4.41Å; Q38-L831 PolarHBondContact NE2-O 3.01Å; H44-L831 HydrophobicContact CB-CD2 4.08Å; C45-L831 WeakPolarHBondContact O-CD2 3.23Å; I828-L831 WeakPolarHBondContact O-CB 3.43Å; I828-L831 WeakPolarHBondContact O-CG 3.35Å; I828-L831 PolarHBondContact O-N 3.34Å; K829-L831 PolarHBondContact O-N 3.11Å
832	F	95.6	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-95.8	13.7	-172.1	-67.5	-95.2	0	0	0	114.7	V36 W713 V719 I828 K829 N830 N835 P838	V36-F832 HydrophobicContact CG1-CD1 4.02Å; V36-F832 HydrophobicContact CG1-CE1 4.36Å; V36-F832 HydrophobicContact CG1-CG 4.42Å; V36-F832 HydrophobicContact CG2-CD1 4.31Å; V36-F832 HydrophobicContact CG2-CD2 4.38Å; V36-F832 HydrophobicContact CG2-CE1 4.1Å; V36-F832 HydrophobicContact CG2-CE2 4.17Å; V36-F832 HydrophobicContact CG2-CG 4.46Å; V36-F832 HydrophobicContact CG2-CZ 4.03Å; W713-F832 HydrophobicContact CE3-CE1 4.43Å; W713-F832 AromaticContact CE3-CZ 3.83Å; W713-F832 HydrophobicContact CE3-CZ 3.83Å; W713-F832 HydrophobicContact CZ3-CZ 4.2Å; V719-F832 HydrophobicContact CG2-CE1 4.18Å; V719-F832 HydrophobicContact CG2-CE2 4.46Å; V719-F832 HydrophobicContact CG2-CZ 3.69Å; I828-F832 HydrophobicContact CG2-CE2 4Å; I828-F832 VanDerWaalsContact O-CD2 3.26Å; I828-F832 WeakPolarHBondContact O-CD2 3.35Å; I828-F832 WeakPolarHBondContact O-CE2 3.31Å; K829-F832 PolarHBondContact O-N 3.41Å; N830-F832 VanDerWaalsContact C-N 3.28Å; N830-F832 PolarHBondContact O-N 2.96Å; F832-N835 WeakPolarHBondContact O-CA 3.44Å; F832-N835 VanDerWaalsContact O-CB 3.28Å; F832-N835 WeakPolarHBondContact O-CB 3.39Å; F832-N835 PolarHBondContact O-N 3.17Å; F832-P838 HydrophobicContact CB-CB 3.84Å; F832-P838 HydrophobicContact CB-CG 3.98Å; F832-P838 HydrophobicContact CD1-CB 3.77Å; F832-P838 HydrophobicContact CD2-CB 3.59Å; F832-P838 HydrophobicContact CD2-CG 3.68Å; F832-P838 HydrophobicContact CE1-CB 4.16Å; F832-P838 HydrophobicContact CE2-CB 4Å; F832-P838 HydrophobicContact CE2-CG 4.3Å; F832-P838 HydrophobicContact CG-CB 3.46Å; F832-P838 VanDerWaalsContact CG-CB 3.46Å; F832-P838 HydrophobicContact CG-CG 3.88Å; F832-P838 HydrophobicContact CZ-CB 4.26Å
833	H	87.4	Confident	93.6	Very high	93 Å²	93	39.1 Å²	39.1	43%	0.431	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	141.2	179.1	-79.2	92.1	0	0	0	111.8	Q38 N830	Q38-H833 PolarHBondContact OE1-O 2.91Å; N830-H833 PolarHBondContact O-ND1 3.46Å
834	P	85.8	Confident	93.8	Very high	84 Å²	84	32.4 Å²	32.4	55%	0.545	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.6	2.1	2.6	35.5	-37.6	0	0	0	115	P39 W715 T836	P39-P834 HydrophobicContact CG-CG 4.28Å; W715-P834 HydrophobicContact CE3-CG 4.43Å; W715-P834 HydrophobicContact CZ3-CG 4.42Å; P834-T836 PolarHBondContact O-N 3.44Å; P834-T836 VanDerWaalsContact O-N 3.11Å
835	N	88.6	Confident	93.8	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.134	17%	0.174	C	C	.	.			trans	-73.3	101.6	178.4	160.9	30.2	0	0	0	110.8	W715 K718 F832 Q837	W715-N835 HydrophobicContact CE3-CB 3.82Å; W715-N835 HydrophobicContact CZ3-CB 4.13Å; W715-N835 WeakPolarHBondContact O-CB 3.19Å; W715-N835 PolarHBondContact O-ND2 3.39Å; K718-N835 PolarHBondContact NZ-ND2 2.71Å; F832-N835 WeakPolarHBondContact O-CA 3.44Å; F832-N835 VanDerWaalsContact O-CB 3.28Å; F832-N835 WeakPolarHBondContact O-CB 3.39Å; F832-N835 PolarHBondContact O-N 3.17Å; N835-Q837 VanDerWaalsContact C-N 3.27Å; N835-Q837 PolarHBondContact O-N 3Å; N835-Q837 PolarHBondContact OD1-N 2.91Å; N835-Q837 PolarHBondContact OD1-O 2.94Å
836	T	84.9	Confident	93.5	Very high	87 Å²	87	37.4 Å²	37.4	53%	0.534	19%	0.192	S	C	.	.	S	Bend	trans	-78	-3.2	-179.2	57.2	0	0	0	0	114.5	K829 P834	K829-T836 WeakPolarHBondContact CE-O 3.33Å; P834-T836 PolarHBondContact O-N 3.44Å; P834-T836 VanDerWaalsContact O-N 3.11Å
837	Q	90.6	Very high	93.3	Very high	121 Å²	121	41.2 Å²	41.2	57%	0.565	21%	0.206	S	C	*	.			trans	-135	65	-179.6	-65.7	-175.7	-7.6	0	0	112.1	N835	N835-Q837 VanDerWaalsContact C-N 3.27Å; N835-Q837 PolarHBondContact O-N 3Å; N835-Q837 PolarHBondContact OD1-N 2.91Å; N835-Q837 PolarHBondContact OD1-O 2.94Å
838	P	95.3	Very high	93	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.211	C	C	.	.			trans	-72.2	-30	176.3	30.2	-35	0	0	0	113	K718 V719 K829 F832 Y840	K718-P838 WeakPolarHBondContact CA-O 3.48Å; V719-P838 PolarHBondContact N-O 3.36Å; K829-P838 HydrophobicContact CB-CG 4.47Å; K829-P838 HydrophobicContact CG-CG 4.11Å; F832-P838 HydrophobicContact CB-CB 3.84Å; F832-P838 HydrophobicContact CB-CG 3.98Å; F832-P838 HydrophobicContact CD1-CB 3.77Å; F832-P838 HydrophobicContact CD2-CB 3.59Å; F832-P838 HydrophobicContact CD2-CG 3.68Å; F832-P838 HydrophobicContact CE1-CB 4.16Å; F832-P838 HydrophobicContact CE2-CB 4Å; F832-P838 HydrophobicContact CE2-CG 4.3Å; F832-P838 HydrophobicContact CG-CB 3.46Å; F832-P838 VanDerWaalsContact CG-CB 3.46Å; F832-P838 HydrophobicContact CG-CG 3.88Å; F832-P838 HydrophobicContact CZ-CB 4.26Å; P838-Y840 PolarHBondContact O-N 2.93Å
839	F	97.4	Very high	92.8	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.4	-179.2	-55.1	-51.9	0	0	0	111.4	V719 I721 L765 L825 I828 K829 V856 V858	V719-F839 HydrophobicContact CB-CD1 3.91Å; V719-F839 HydrophobicContact CB-CE1 4.39Å; V719-F839 HydrophobicContact CG1-CD1 3.91Å; V719-F839 HydrophobicContact CG1-CE1 4.08Å; V719-F839 WeakPolarHBondContact O-CA 3.09Å; I721-F839 HydrophobicContact CD1-CB 4.1Å; I721-F839 HydrophobicContact CD1-CD1 3.71Å; I721-F839 HydrophobicContact CD1-CD2 4.03Å; I721-F839 HydrophobicContact CD1-CE1 4.09Å; I721-F839 HydrophobicContact CD1-CE2 4.35Å; I721-F839 HydrophobicContact CD1-CG 3.7Å; I721-F839 HydrophobicContact CD1-CZ 4.39Å; I721-F839 HydrophobicContact CG1-CD1 3.74Å; I721-F839 HydrophobicContact CG1-CE1 4.07Å; I721-F839 HydrophobicContact CG1-CG 4.22Å; L765-F839 HydrophobicContact CD2-CE1 3.75Å; L765-F839 HydrophobicContact CD2-CZ 4.4Å; L825-F839 HydrophobicContact CB-CE2 4.22Å; L825-F839 HydrophobicContact CB-CZ 4.24Å; L825-F839 HydrophobicContact CD2-CE1 4.46Å; L825-F839 HydrophobicContact CD2-CZ 4.1Å; L825-F839 VanDerWaalsContact O-CE2 3.27Å; L825-F839 WeakPolarHBondContact O-CE2 3.5Å; L825-F839 VanDerWaalsContact O-CZ 3.3Å; L825-F839 WeakPolarHBondContact O-CZ 3.48Å; I828-F839 HydrophobicContact CB-CZ 4.27Å; I828-F839 HydrophobicContact CG2-CE1 4.07Å; I828-F839 HydrophobicContact CG2-CZ 3.93Å; K829-F839 HydrophobicContact CB-CE2 3.83Å; K829-F839 HydrophobicContact CB-CZ 4.33Å; K829-F839 HydrophobicContact CG-CE2 4.48Å; F839-V856 HydrophobicContact CD2-CB 4.1Å; F839-V856 HydrophobicContact CD2-CG2 3.67Å; F839-V856 HydrophobicContact CE2-CB 3.97Å; F839-V856 HydrophobicContact CE2-CG2 3.8Å; F839-V858 HydrophobicContact CB-CG2 3.73Å
840	Y	96.4	Very high	92.7	Very high	20 Å²	20	40.3 Å²	40.3	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-40	-178.1	-178.8	-93.5	0	0	0	112.6	V719 I720 Y762 P838 R862 V894 F895 P909	V719-Y840 PolarHBondContact O-N 2.95Å; I720-Y840 HydrophobicContact CD1-CD1 3.94Å; Y762-Y840 HydrophobicContact CD1-CD1 4.24Å; Y762-Y840 HydrophobicContact CD1-CG 4.23Å; Y762-Y840 AromaticContact CE1-CD1 3.55Å; Y762-Y840 HydrophobicContact CE1-CD1 3.55Å; Y762-Y840 AromaticContact CE1-CD2 3.81Å; Y762-Y840 HydrophobicContact CE1-CD2 3.81Å; Y762-Y840 AromaticContact CE1-CE1 3.94Å; Y762-Y840 HydrophobicContact CE1-CE1 3.94Å; Y762-Y840 HydrophobicContact CE1-CE2 4.17Å; Y762-Y840 AromaticContact CE1-CG 3.49Å; Y762-Y840 HydrophobicContact CE1-CG 3.49Å; Y762-Y840 VanDerWaalsContact CE1-CG 3.49Å; Y762-Y840 AromaticContact CZ-CE1 3.99Å; P838-Y840 PolarHBondContact O-N 2.93Å; Y840-R862 VanDerWaalsContact CZ-NE 3.3Å; Y840-R862 WeakPolarHBondContact O-CB 3.29Å; Y840-R862 WeakPolarHBondContact O-CD 3.37Å; Y840-R862 PolarHBondContact OH-NE 3.23Å; Y840-V894 VanDerWaalsContact CE1-O 3.24Å; Y840-V894 WeakPolarHBondContact CE1-O 3.46Å; Y840-V894 PolarHBondContact OH-O 2.88Å; Y840-F895 AromaticContact CD1-CD1 3.87Å; Y840-F895 HydrophobicContact CD1-CD1 3.87Å; Y840-F895 HydrophobicContact CD1-CE1 4.12Å; Y840-F895 AromaticContact CE1-CD1 3.58Å; Y840-F895 HydrophobicContact CE1-CD1 3.58Å; Y840-F895 HydrophobicContact CE1-CE1 4.03Å; Y840-F895 HydrophobicContact CE1-CG 4.42Å; Y840-P909 HydrophobicContact CE2-CB 4.39Å
841	A	97.2	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.1	-178.8	0	0	0	0	0	111.3	I720 I721 R862 F895	I720-A841 HydrophobicContact CD1-CB 3.96Å; I721-A841 PolarHBondContact N-O 3.38Å; A841-R862 WeakPolarHBondContact CA-O 3.34Å; A841-R862 HydrophobicContact CB-CB 3.88Å; A841-R862 WeakPolarHBondContact CB-O 3.49Å; A841-F895 HydrophobicContact CB-CE1 3.69Å; A841-F895 HydrophobicContact CB-CZ 4.3Å
842	A	97.8	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.2	175.8	0	0	0	0	0	113.3	I721 Y853 V858 R862 I863 F864	I721-A842 HydrophobicContact CB-CB 4Å; I721-A842 HydrophobicContact CD1-CB 4.39Å; I721-A842 CarbonylContact O-C 3.56Å; I721-A842 VanDerWaalsContact O-CA 3.31Å; I721-A842 WeakPolarHBondContact O-CA 3.26Å; A842-Y853 HydrophobicContact CB-CD1 3.85Å; A842-Y853 HydrophobicContact CB-CD2 3.4Å; A842-Y853 HydrophobicContact CB-CE1 4.22Å; A842-Y853 HydrophobicContact CB-CE2 3.79Å; A842-Y853 HydrophobicContact CB-CG 3.43Å; A842-Y853 VanDerWaalsContact CB-CG 3.43Å; A842-V858 HydrophobicContact CB-CG1 4.1Å; A842-V858 HydrophobicContact CB-CG2 4.24Å; A842-R862 PolarHBondContact N-O 2.85Å; A842-I863 WeakPolarHBondContact O-CA 3.42Å; A842-F864 PolarHBondContact O-N 3.44Å
843	F	97.3	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.6	173.3	-63.5	-93.5	0	0	0	109.6	I720 I721 D723 T727 L753 Y754 Y853 F864 L872 Y884 L887 F895	I720-F843 HydrophobicContact CG2-CD2 3.92Å; I720-F843 HydrophobicContact CG2-CE2 3.76Å; I721-F843 PolarHBondContact O-N 2.93Å; D723-F843 PolarHBondContact N-O 3.11Å; T727-F843 HydrophobicContact CG2-CB 3.97Å; L753-F843 HydrophobicContact CD2-CE1 4.04Å; L753-F843 HydrophobicContact CD2-CZ 3.91Å; Y754-F843 HydrophobicContact CE1-CD1 4.38Å; Y754-F843 AromaticContact CE1-CD2 3.95Å; Y754-F843 HydrophobicContact CE1-CD2 3.95Å; Y754-F843 HydrophobicContact CE1-CE1 4.35Å; Y754-F843 AromaticContact CE1-CE2 3.92Å; Y754-F843 HydrophobicContact CE1-CE2 3.92Å; Y754-F843 HydrophobicContact CE1-CG 4.2Å; Y754-F843 HydrophobicContact CE1-CZ 4.13Å; Y754-F843 VanDerWaalsContact OH-CB 3.32Å; Y754-F843 WeakPolarHBondContact OH-CB 3.25Å; Y754-F843 WeakPolarHBondContact OH-CG 3.33Å; F843-Y853 PolarHBondContact O-OH 3.05Å; F843-F864 WeakPolarHBondContact CA-O 3.47Å; F843-F864 HydrophobicContact CD1-CB 3.65Å; F843-F864 HydrophobicContact CD1-CD2 4.15Å; F843-F864 HydrophobicContact CD1-CG 4.14Å; F843-F864 HydrophobicContact CE1-CB 3.83Å; F843-F864 AromaticContact CE1-CD2 3.7Å; F843-F864 HydrophobicContact CE1-CD2 3.7Å; F843-F864 HydrophobicContact CE1-CE2 4.46Å; F843-F864 AromaticContact CE1-CG 3.81Å; F843-F864 HydrophobicContact CE1-CG 3.81Å; F843-F864 HydrophobicContact CE2-CD2 4.37Å; F843-F864 HydrophobicContact CG-CB 4.44Å; F843-F864 AromaticContact CZ-CD2 3.83Å; F843-F864 HydrophobicContact CZ-CD2 3.83Å; F843-F864 HydrophobicContact CZ-CE2 4.24Å; F843-F864 HydrophobicContact CZ-CG 4.39Å; F843-L872 HydrophobicContact CE1-CD1 4.4Å; F843-Y884 HydrophobicContact CD1-CE1 4.07Å; F843-Y884 HydrophobicContact CE1-CE1 4.23Å; F843-L887 HydrophobicContact CE1-CD2 3.9Å; F843-L887 HydrophobicContact CZ-CD2 4.06Å; F843-F895 HydrophobicContact CE2-CZ 4.34Å; F843-F895 HydrophobicContact CZ-CZ 4.06Å
844	G	94.8	Very high	92.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	176.6	176.8	0	0	0	0	0	111.4	T727 F864 K865 V866	T727-G844 WeakPolarHBondContact OG1-CA 3.34Å; G844-F864 PolarHBondContact N-O 3.4Å; G844-F864 VanDerWaalsContact N-O 3.14Å; G844-K865 CarbonylContact O-C 3.55Å; G844-K865 VanDerWaalsContact O-CA 3.23Å; G844-K865 WeakPolarHBondContact O-CA 3.28Å; G844-V866 PolarHBondContact O-N 2.9Å
845	N	91.8	Very high	93.2	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.123	20%	0.201	C	C	.	.	S	Bend	trans	-120.4	-27.4	-175.5	50.5	-53.8	0	0	0	113	D725 G726 T727 D732 D849 K865 V866	D725-N845 PolarHBondContact O-ND2 3.26Å; D725-N845 PolarHBondContact O-OD1 3.14Å; D725-N845 VanDerWaalsContact O-OD1 3.08Å; G726-N845 WeakPolarHBondContact O-CB 3.46Å; T727-N845 WeakPolarHBondContact OG1-CB 3.45Å; T727-N845 PolarHBondContact OG1-N 2.98Å; T727-N845 VanDerWaalsContact OG1-N 3.1Å; T727-N845 PolarHBondContact OG1-OD1 3.08Å; D732-N845 PolarHBondContact OD1-ND2 3.42Å; D732-N845 PolarHBondContact OD2-ND2 3.22Å; N845-D849 PolarHBondContact N-OD2 3.05Å; N845-K865 WeakPolarHBondContact O-CE 3.38Å; N845-V866 HydrophobicContact CB-CG1 4.16Å
846	R	89.8	Confident	93.5	Very high	99 Å²	99	41.3 Å²	41.3	37%	0.374	20%	0.195	S	C	.	.	S	Bend	trans	-98.2	154.8	-178.4	-48.9	174.5	169.1	-161.9	-1.2	111	D732 N848 D849 V850	D732-R846 IonicContact OD2-CZ 3.89Å; D732-R846 IonicContact OD2-NE 3.67Å; D732-R846 PolarHBondContact OD2-NE 3.11Å; D732-R846 IonicContact OD2-NH2 3.44Å; D732-R846 PolarHBondContact OD2-NH2 3.19Å; R846-N848 VanDerWaalsContact C-N 3.29Å; R846-N848 HydrophobicContact CB-CB 4.34Å; R846-D849 WeakPolarHBondContact CA-OD2 3.41Å; R846-D849 WeakPolarHBondContact CB-OD2 3.49Å; R846-D849 PolarHBondContact N-OD2 2.96Å; R846-D849 WeakPolarHBondContact O-CB 3.28Å; R846-D849 PolarHBondContact O-N 3.12Å; R846-D849 VanDerWaalsContact O-N 3.12Å; R846-V850 PolarHBondContact O-N 3.35Å
847	E	90	Very high	93.9	Very high	130 Å²	130	38.7 Å²	38.7	61%	0.607	19%	0.185	S	C	*	.	H	α-helix	trans	-73.3	-29.2	178.3	-54.9	-167.4	163.6	0	0	111.2	D849 V850 F851 K865	E847-D849 PolarHBondContact O-N 3.31Å; E847-V850 PolarHBondContact O-N 3.42Å; E847-F851 WeakPolarHBondContact O-CB 3.25Å; E847-F851 PolarHBondContact O-N 3.11Å; E847-K865 HydrophobicContact CG-CD 4.42Å; E847-K865 VanDerWaalsContact CG-NZ 3.26Å; E847-K865 IonicContact OE1-NZ 2.71Å; E847-K865 PolarHBondContact OE1-NZ 3.18Å
848	N	89.2	Confident	94.2	Very high	70 Å²	70	33.1 Å²	33.1	37%	0.374	16%	0.16	S	C	.	.	H	α-helix	trans	-53.6	-35.6	165.3	-65.3	54.9	0	0	0	112.6	E818 R846 A852	E818-N848 HydrophobicContact CB-CB 4.08Å; E818-N848 PolarHBondContact OE2-ND2 3.04Å; R846-N848 VanDerWaalsContact C-N 3.29Å; R846-N848 HydrophobicContact CB-CB 4.34Å; N848-A852 PolarHBondContact O-N 3.09Å; N848-A852 VanDerWaalsContact O-N 3.11Å
849	D	91.4	Very high	94.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-75.6	-47	177.8	-44.2	-37	0	0	0	110.4	K821 N845 R846 E847 F851 A852 Y853	K821-D849 VanDerWaalsContact NZ-CG 3.27Å; K821-D849 IonicContact NZ-OD1 3.39Å; K821-D849 PolarHBondContact NZ-OD1 3.01Å; K821-D849 IonicContact NZ-OD2 3.18Å; N845-D849 PolarHBondContact N-OD2 3.05Å; R846-D849 WeakPolarHBondContact CA-OD2 3.41Å; R846-D849 WeakPolarHBondContact CB-OD2 3.49Å; R846-D849 PolarHBondContact N-OD2 2.96Å; R846-D849 WeakPolarHBondContact O-CB 3.28Å; R846-D849 PolarHBondContact O-N 3.12Å; R846-D849 VanDerWaalsContact O-N 3.12Å; E847-D849 PolarHBondContact O-N 3.31Å; D849-F851 PolarHBondContact O-N 2.91Å; D849-A852 WeakPolarHBondContact O-CB 3.1Å; D849-A852 PolarHBondContact O-N 3.36Å; D849-Y853 HydrophobicContact CB-CD2 4.34Å; D849-Y853 HydrophobicContact CB-CE2 3.67Å; D849-Y853 WeakPolarHBondContact O-CD2 3.5Å; D849-Y853 PolarHBondContact O-N 2.96Å
850	V	93.3	Very high	93.8	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-55.7	-39.1	174.9	174.2	0	0	0	0	111.2	R846 E847 K854 I863 K865 E875	R846-V850 PolarHBondContact O-N 3.35Å; E847-V850 PolarHBondContact O-N 3.42Å; V850-K854 WeakPolarHBondContact O-CG 3.46Å; V850-K854 PolarHBondContact O-N 3.12Å; V850-K854 VanDerWaalsContact O-N 3.15Å; V850-I863 HydrophobicContact CB-CG2 4.32Å; V850-I863 HydrophobicContact CG1-CG2 4.11Å; V850-I863 HydrophobicContact CG2-CG2 3.94Å; V850-K865 HydrophobicContact CG2-CB 4.2Å; V850-K865 HydrophobicContact CG2-CG 4.37Å; V850-E875 HydrophobicContact CG1-CB 4.15Å; V850-E875 HydrophobicContact CG1-CG 3.59Å
851	F	93.5	Very high	93.5	Very high	103 Å²	103	35.9 Å²	35.9	45%	0.452	18%	0.184	S	C	.	.	H	α-helix	trans	-63.9	-49.5	173	178.9	-99.6	0	0	0	112	I822 E847 D849 Y853 K854 Q855	I822-F851 HydrophobicContact CD1-CD1 4.15Å; I822-F851 HydrophobicContact CD1-CE1 3.96Å; E847-F851 WeakPolarHBondContact O-CB 3.25Å; E847-F851 PolarHBondContact O-N 3.11Å; D849-F851 PolarHBondContact O-N 2.91Å; F851-Y853 PolarHBondContact O-N 3.49Å; F851-K854 PolarHBondContact O-N 3.11Å; F851-Q855 HydrophobicContact CE1-CG 4.31Å; F851-Q855 HydrophobicContact CZ-CG 4.32Å; F851-Q855 VanDerWaalsContact CZ-NE2 3.25Å; F851-Q855 PolarHBondContact O-N 3.06Å; F851-Q855 VanDerWaalsContact O-N 3.07Å
852	A	93.9	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-43.8	177.3	0	0	0	0	0	112.6	K821 I822 N848 D849 K854 Q855 V856	K821-A852 HydrophobicContact CB-CB 4.08Å; I822-A852 HydrophobicContact CD1-CB 4.5Å; I822-A852 HydrophobicContact CG1-CB 3.66Å; N848-A852 PolarHBondContact O-N 3.09Å; N848-A852 VanDerWaalsContact O-N 3.11Å; D849-A852 WeakPolarHBondContact O-CB 3.1Å; D849-A852 PolarHBondContact O-N 3.36Å; A852-K854 PolarHBondContact O-N 3.27Å; A852-Q855 PolarHBondContact O-N 3.25Å; A852-V856 PolarHBondContact O-N 3.4Å; A852-V856 VanDerWaalsContact O-N 3.13Å
853	Y	96.2	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-39.1	178.7	-57.4	-32.8	0	0	0	112.5	I721 L825 A842 F843 D849 F851 V856 G857 V858 I863	I721-Y853 HydrophobicContact CB-CE1 4.27Å; I721-Y853 HydrophobicContact CD1-CD1 4.05Å; I721-Y853 HydrophobicContact CD1-CE1 4.42Å; I721-Y853 HydrophobicContact CG2-CD1 4.26Å; I721-Y853 HydrophobicContact CG2-CE1 3.54Å; L825-Y853 HydrophobicContact CD1-CD1 3.92Å; L825-Y853 HydrophobicContact CD1-CE1 3.9Å; A842-Y853 HydrophobicContact CB-CD1 3.85Å; A842-Y853 HydrophobicContact CB-CD2 3.4Å; A842-Y853 HydrophobicContact CB-CE1 4.22Å; A842-Y853 HydrophobicContact CB-CE2 3.79Å; A842-Y853 HydrophobicContact CB-CG 3.43Å; A842-Y853 VanDerWaalsContact CB-CG 3.43Å; F843-Y853 PolarHBondContact O-OH 3.05Å; D849-Y853 HydrophobicContact CB-CD2 4.34Å; D849-Y853 HydrophobicContact CB-CE2 3.67Å; D849-Y853 WeakPolarHBondContact O-CD2 3.5Å; D849-Y853 PolarHBondContact O-N 2.96Å; F851-Y853 PolarHBondContact O-N 3.49Å; Y853-V856 WeakPolarHBondContact O-CG2 3.33Å; Y853-G857 PolarHBondContact O-N 3.22Å; Y853-V858 WeakPolarHBondContact O-CB 3.39Å; Y853-V858 WeakPolarHBondContact O-CG2 3.48Å; Y853-V858 PolarHBondContact O-N 2.85Å; Y853-I863 HydrophobicContact CD2-CG2 4.09Å
854	K	95.1	Very high	93.2	Very high	91 Å²	91	36.8 Å²	36.8	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-45.9	171.9	-73.4	176.8	-172.5	179.7	0	111.8	V850 F851 A852 V856 G857 I863 E875	V850-K854 WeakPolarHBondContact O-CG 3.46Å; V850-K854 PolarHBondContact O-N 3.12Å; V850-K854 VanDerWaalsContact O-N 3.15Å; F851-K854 PolarHBondContact O-N 3.11Å; A852-K854 PolarHBondContact O-N 3.27Å; K854-V856 VanDerWaalsContact C-N 3.32Å; K854-V856 PolarHBondContact O-N 3.2Å; K854-G857 WeakPolarHBondContact O-CA 3.48Å; K854-G857 PolarHBondContact O-N 2.95Å; K854-I863 HydrophobicContact CG-CD1 3.64Å; K854-E875 WeakPolarHBondContact CE-OE1 3.49Å; K854-E875 IonicContact NZ-OE1 2.7Å; K854-E875 PolarHBondContact NZ-OE1 2.75Å
855	Q	93.8	Very high	93.2	Very high	103 Å²	103	39 Å²	39	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-37	-178.3	-74.2	-162.1	-30.2	0	0	113.1	F851 A852 G857	F851-Q855 HydrophobicContact CE1-CG 4.31Å; F851-Q855 HydrophobicContact CZ-CG 4.32Å; F851-Q855 VanDerWaalsContact CZ-NE2 3.25Å; F851-Q855 PolarHBondContact O-N 3.06Å; F851-Q855 VanDerWaalsContact O-N 3.07Å; A852-Q855 PolarHBondContact O-N 3.25Å; Q855-G857 PolarHBondContact O-N 3.23Å
856	V	94.3	Very high	93.3	Very high	3 Å²	3	38 Å²	38	2%	0.018	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.8	174.7	-56.5	0	0	0	0	113.8	I721 L825 T826 K829 F839 A852 Y853 K854 V858	I721-V856 HydrophobicContact CD1-CG2 4.43Å; L825-V856 HydrophobicContact CB-CB 4.38Å; L825-V856 HydrophobicContact CB-CG1 3.71Å; L825-V856 HydrophobicContact CB-CG2 4.21Å; T826-V856 WeakPolarHBondContact OG1-CG1 3.33Å; K829-V856 WeakPolarHBondContact CD-O 3.42Å; K829-V856 WeakPolarHBondContact CE-O 3.42Å; K829-V856 PolarHBondContact NZ-O 2.97Å; F839-V856 HydrophobicContact CD2-CB 4.1Å; F839-V856 HydrophobicContact CD2-CG2 3.67Å; F839-V856 HydrophobicContact CE2-CB 3.97Å; F839-V856 HydrophobicContact CE2-CG2 3.8Å; A852-V856 PolarHBondContact O-N 3.4Å; A852-V856 VanDerWaalsContact O-N 3.13Å; Y853-V856 WeakPolarHBondContact O-CG2 3.33Å; K854-V856 VanDerWaalsContact C-N 3.32Å; K854-V856 PolarHBondContact O-N 3.2Å; V856-V858 HydrophobicContact CG2-CG2 4.28Å
857	G	93.5	Very high	93.3	Very high	32 Å²	32	34.9 Å²	34.9	33%	0.33	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	99	19.8	171.3	0	0	0	0	0	115.6	Y853 K854 Q855	Y853-G857 PolarHBondContact O-N 3.22Å; K854-G857 WeakPolarHBondContact O-CA 3.48Å; K854-G857 PolarHBondContact O-N 2.95Å; Q855-G857 PolarHBondContact O-N 3.23Å
858	V	96.3	Very high	93.2	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	19%	0.186	C	C	.	.			trans	-71.8	125.5	169.5	-173	0	0	0	0	108.9	I721 F839 A842 Y853 V856 I863	I721-V858 HydrophobicContact CD1-CG2 4Å; F839-V858 HydrophobicContact CB-CG2 3.73Å; A842-V858 HydrophobicContact CB-CG1 4.1Å; A842-V858 HydrophobicContact CB-CG2 4.24Å; Y853-V858 WeakPolarHBondContact O-CB 3.39Å; Y853-V858 WeakPolarHBondContact O-CG2 3.48Å; Y853-V858 PolarHBondContact O-N 2.85Å; V856-V858 HydrophobicContact CG2-CG2 4.28Å; V858-I863 HydrophobicContact CB-CD1 4.22Å; V858-I863 HydrophobicContact CB-CG1 4.03Å; V858-I863 HydrophobicContact CG1-CD1 4.33Å; V858-I863 HydrophobicContact CG1-CG1 3.61Å
859	P	92.8	Very high	93.1	Very high	38 Å²	38	38.5 Å²	38.5	25%	0.247	20%	0.203	C	C	.	.			trans	-68.8	138.7	-178.5	27.3	-33.9	0	0	0	110.9	C861 R862 I863	P859-C861 PolarHBondContact O-N 3.13Å; P859-R862 HydrophobicContact CG-CB 4.26Å; P859-R862 HydrophobicContact CG-CG 4.31Å; P859-R862 PolarHBondContact O-N 2.92Å; P859-I863 PolarHBondContact O-N 3.35Å
860	A	90.9	Very high	92.8	Very high	35 Å²	35	39 Å²	39	29%	0.289	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.4	-19.6	-173.8	0	0	0	0	0	114.6	R862 E875 Q876	A860-R862 PolarHBondContact O-N 3.4Å; A860-E875 HydrophobicContact CB-CG 4.31Å; A860-Q876 PolarHBondContact O-N 2.85Å
861	C	90.8	Very high	92.8	Very high	13 Å²	13	41 Å²	41	9%	0.088	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-76	-4.1	171.7	63.5	0	0	0	0	114	P859 L874 Q876 F914	P859-C861 PolarHBondContact O-N 3.13Å; C861-L874 VanDerWaalsContact O-CD1 3.26Å; C861-L874 WeakPolarHBondContact O-CD1 3.4Å; C861-Q876 HydrophobicContact CB-CB 4.41Å; C861-F914 HydrophobicContact CB-CE1 4.2Å; C861-F914 WeakPolarHBondContact O-CE1 3.44Å
862	R	94.2	Very high	92.8	Very high	9 Å²	9	36.1 Å²	36.1	3%	0.034	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-128.6	17.3	176.2	-60.4	-176.8	-178.5	123.3	8.2	113.2	Y840 A841 A842 P859 A860 P909	Y840-R862 VanDerWaalsContact CZ-NE 3.3Å; Y840-R862 WeakPolarHBondContact O-CB 3.29Å; Y840-R862 WeakPolarHBondContact O-CD 3.37Å; Y840-R862 PolarHBondContact OH-NE 3.23Å; A841-R862 WeakPolarHBondContact CA-O 3.34Å; A841-R862 HydrophobicContact CB-CB 3.88Å; A841-R862 WeakPolarHBondContact CB-O 3.49Å; A842-R862 PolarHBondContact N-O 2.85Å; P859-R862 HydrophobicContact CG-CB 4.26Å; P859-R862 HydrophobicContact CG-CG 4.31Å; P859-R862 PolarHBondContact O-N 2.92Å; A860-R862 PolarHBondContact O-N 3.4Å; R862-P909 PolarHBondContact NH2-O 3.05Å
863	I	96.2	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.6	168.8	-59.3	171.5	0	0	0	109	A842 V850 Y853 K854 V858 P859 L874 E875	A842-I863 WeakPolarHBondContact O-CA 3.42Å; V850-I863 HydrophobicContact CB-CG2 4.32Å; V850-I863 HydrophobicContact CG1-CG2 4.11Å; V850-I863 HydrophobicContact CG2-CG2 3.94Å; Y853-I863 HydrophobicContact CD2-CG2 4.09Å; K854-I863 HydrophobicContact CG-CD1 3.64Å; V858-I863 HydrophobicContact CB-CD1 4.22Å; V858-I863 HydrophobicContact CB-CG1 4.03Å; V858-I863 HydrophobicContact CG1-CD1 4.33Å; V858-I863 HydrophobicContact CG1-CG1 3.61Å; P859-I863 PolarHBondContact O-N 3.35Å; I863-L874 WeakPolarHBondContact O-CD1 3.33Å; I863-E875 HydrophobicContact CB-CB 4.08Å; I863-E875 HydrophobicContact CG2-CB 4.28Å; I863-E875 PolarHBondContact O-N 2.83Å
864	F	95.7	Very high	92.5	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.044	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.7	-178.8	-58.3	-86.4	0	0	0	110	A842 F843 G844 L872 L874 L887 V894 F895	A842-F864 PolarHBondContact O-N 3.44Å; F843-F864 WeakPolarHBondContact CA-O 3.47Å; F843-F864 HydrophobicContact CD1-CB 3.65Å; F843-F864 HydrophobicContact CD1-CD2 4.15Å; F843-F864 HydrophobicContact CD1-CG 4.14Å; F843-F864 HydrophobicContact CE1-CB 3.83Å; F843-F864 AromaticContact CE1-CD2 3.7Å; F843-F864 HydrophobicContact CE1-CD2 3.7Å; F843-F864 HydrophobicContact CE1-CE2 4.46Å; F843-F864 AromaticContact CE1-CG 3.81Å; F843-F864 HydrophobicContact CE1-CG 3.81Å; F843-F864 HydrophobicContact CE2-CD2 4.37Å; F843-F864 HydrophobicContact CG-CB 4.44Å; F843-F864 AromaticContact CZ-CD2 3.83Å; F843-F864 HydrophobicContact CZ-CD2 3.83Å; F843-F864 HydrophobicContact CZ-CE2 4.24Å; F843-F864 HydrophobicContact CZ-CG 4.39Å; G844-F864 PolarHBondContact N-O 3.4Å; G844-F864 VanDerWaalsContact N-O 3.14Å; F864-L872 HydrophobicContact CB-CD2 4.48Å; F864-L874 HydrophobicContact CD1-CD1 3.84Å; F864-L874 HydrophobicContact CE1-CD1 3.6Å; F864-L874 HydrophobicContact CG-CD1 4.43Å; F864-L874 HydrophobicContact CZ-CD1 4Å; F864-L887 HydrophobicContact CD1-CD2 4.03Å; F864-L887 HydrophobicContact CE1-CD1 4.24Å; F864-L887 HydrophobicContact CE1-CD2 3.79Å; F864-L887 HydrophobicContact CE2-CD2 4.42Å; F864-L887 HydrophobicContact CG-CD2 4.44Å; F864-L887 HydrophobicContact CZ-CD1 4.31Å; F864-L887 HydrophobicContact CZ-CD2 4.01Å; F864-V894 HydrophobicContact CZ-CG1 4.1Å; F864-F895 HydrophobicContact CE2-CZ 4.06Å
865	K	95	Very high	92.3	Very high	48 Å²	48	35.8 Å²	35.8	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.2	172.2	-169.9	-172.5	179.8	-164	0	109.2	G844 N845 E847 V850 I873	G844-K865 CarbonylContact O-C 3.55Å; G844-K865 VanDerWaalsContact O-CA 3.23Å; G844-K865 WeakPolarHBondContact O-CA 3.28Å; N845-K865 WeakPolarHBondContact O-CE 3.38Å; E847-K865 HydrophobicContact CG-CD 4.42Å; E847-K865 VanDerWaalsContact CG-NZ 3.26Å; E847-K865 IonicContact OE1-NZ 2.71Å; E847-K865 PolarHBondContact OE1-NZ 3.18Å; V850-K865 HydrophobicContact CG2-CB 4.2Å; V850-K865 HydrophobicContact CG2-CG 4.37Å; K865-I873 PolarHBondContact N-O 2.85Å; K865-I873 PolarHBondContact O-N 3.04Å
866	V	93.3	Very high	91.9	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	148.3	174.8	67.7	0	0	0	0	111.2	T727 G844 N845 E871 L872 Y884	T727-V866 HydrophobicContact CG2-CG1 3.99Å; G844-V866 PolarHBondContact O-N 2.9Å; N845-V866 HydrophobicContact CB-CG1 4.16Å; V866-E871 WeakPolarHBondContact CA-O 3.49Å; V866-L872 HydrophobicContact CB-CD2 3.66Å; V866-L872 HydrophobicContact CG2-CD2 3.81Å; V866-Y884 HydrophobicContact CG2-CE2 3.99Å
867	N	90.9	Very high	91.4	Very high	34 Å²	34	36 Å²	36	18%	0.182	20%	0.202	C	C	.	.			trans	-111.2	167.1	173.7	77.6	19.9	0	0	0	112	H747 K869 G870 E871	H747-N867 PolarHBondContact CE1-O 3.07Å; N867-K869 PolarHBondContact O-N 3.27Å; N867-K869 WeakPolarHBondContact OD1-CB 3.22Å; N867-K869 PolarHBondContact OD1-N 2.84Å; N867-G870 PolarHBondContact O-N 3Å; N867-G870 PolarHBondContact OD1-N 3.49Å; N867-E871 PolarHBondContact N-O 3.45Å; N867-E871 PolarHBondContact ND2-OE2 2.94Å; N867-E871 PolarHBondContact OD1-N 3.43Å
868	P	86.4	Confident	90.8	Very high	105 Å²	105	40.8 Å²	40.8	68%	0.682	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.3	-176.5	-27.8	36.7	0	0	0	116.1
869	K	87	Confident	89.9	Confident	170 Å²	170	44 Å²	44	74%	0.739	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.4	172	-59.9	-177.6	177.3	-176.3	0	113.3	N867 E871	N867-K869 PolarHBondContact O-N 3.27Å; N867-K869 WeakPolarHBondContact OD1-CB 3.22Å; N867-K869 PolarHBondContact OD1-N 2.84Å; K869-E871 HydrophobicContact CB-CG 4.12Å; K869-E871 WeakPolarHBondContact CD-OE1 3.3Å
870	G	86.6	Confident	89.4	Confident	13 Å²	13	47.4 Å²	47.4	13%	0.134	26%	0.264	C	S	.	.	S	Bend	trans	85.9	16.5	-170.1	0	0	0	0	0	114.1	H747 N867	H747-G870 VanDerWaalsContact CE1-CA 3.49Å; H747-G870 WeakPolarHBondContact CE1-CA 3.26Å; H747-G870 PolarHBondContact CE1-N 2.9Å; H747-G870 WeakPolarHBondContact ND1-CA 3.42Å; H747-G870 PolarHBondContact ND1-N 3.13Å; N867-G870 PolarHBondContact O-N 3Å; N867-G870 PolarHBondContact OD1-N 3.49Å
871	E	92.3	Very high	89.4	Confident	49 Å²	49	51.6 Å²	51.6	23%	0.229	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.6	168.5	-53.6	164.9	170.2	0	0	108.3	V866 N867 K869 K881 T882	V866-E871 WeakPolarHBondContact CA-O 3.49Å; N867-E871 PolarHBondContact N-O 3.45Å; N867-E871 PolarHBondContact ND2-OE2 2.94Å; N867-E871 PolarHBondContact OD1-N 3.43Å; K869-E871 HydrophobicContact CB-CG 4.12Å; K869-E871 WeakPolarHBondContact CD-OE1 3.3Å; E871-K881 IonicContact OE1-NZ 3.96Å; E871-K881 WeakPolarHBondContact OE2-CD 3.49Å; E871-K881 WeakPolarHBondContact OE2-CE 3.28Å; E871-K881 IonicContact OE2-NZ 2.76Å; E871-K881 PolarHBondContact OE2-NZ 3.43Å; E871-T882 CarbonylContact C-O 3.55Å; E871-T882 WeakPolarHBondContact CA-O 3.32Å
872	L	93.9	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.3	172.8	-63.3	179.9	0	0	0	109.8	F843 F864 V866 K881 T882 Y884 L887	F843-L872 HydrophobicContact CE1-CD1 4.4Å; F864-L872 HydrophobicContact CB-CD2 4.48Å; V866-L872 HydrophobicContact CB-CD2 3.66Å; V866-L872 HydrophobicContact CG2-CD2 3.81Å; L872-K881 CarbonylContact O-C 3.38Å; L872-K881 WeakPolarHBondContact O-CA 3.12Å; L872-T882 PolarHBondContact N-O 3.2Å; L872-T882 PolarHBondContact O-N 3.39Å; L872-Y884 HydrophobicContact CD1-CD1 3.87Å; L872-Y884 HydrophobicContact CD1-CE1 4.18Å; L872-Y884 HydrophobicContact CD1-CG 4.37Å; L872-Y884 HydrophobicContact CD2-CD1 4.18Å; L872-Y884 HydrophobicContact CD2-CE1 3.75Å; L872-Y884 HydrophobicContact CD2-CE2 4.34Å; L872-Y884 HydrophobicContact CG-CD1 4.37Å; L872-Y884 HydrophobicContact CG-CE1 4.42Å; L872-L887 HydrophobicContact CD1-CB 4.25Å; L872-L887 HydrophobicContact CD1-CD2 3.66Å
873	I	92.8	Very high	89.4	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.185	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.3	174.9	-58.7	171	0	0	0	107.3	K865 K881	K865-I873 PolarHBondContact N-O 2.85Å; K865-I873 PolarHBondContact O-N 3.04Å; I873-K881 HydrophobicContact CG1-CG 4.29Å
874	L	91.6	Very high	89.3	Confident	21 Å²	21	55.5 Å²	55.5	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.2	177	-172.4	72.6	0	0	0	110	C861 I863 F864 Q876 S877 K878 F914	C861-L874 VanDerWaalsContact O-CD1 3.26Å; C861-L874 WeakPolarHBondContact O-CD1 3.4Å; I863-L874 WeakPolarHBondContact O-CD1 3.33Å; F864-L874 HydrophobicContact CD1-CD1 3.84Å; F864-L874 HydrophobicContact CE1-CD1 3.6Å; F864-L874 HydrophobicContact CG-CD1 4.43Å; F864-L874 HydrophobicContact CZ-CD1 4Å; L874-Q876 VanDerWaalsContact C-N 3.31Å; L874-Q876 HydrophobicContact CD2-CB 4.34Å; L874-Q876 PolarHBondContact O-N 3.43Å; L874-S877 CarbonylContact O-C 3.54Å; L874-S877 PolarHBondContact O-N 3.27Å; L874-K878 PolarHBondContact O-N 3.2Å; L874-F914 HydrophobicContact CD2-CZ 4.41Å
875	E	91	Very high	89.2	Confident	26 Å²	26	57.8 Å²	57.8	12%	0.121	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-61.6	-35.2	-175.4	172.6	58	-169.2	0	0	113.3	V850 K854 A860 I863 S877 K878	V850-E875 HydrophobicContact CG1-CB 4.15Å; V850-E875 HydrophobicContact CG1-CG 3.59Å; K854-E875 WeakPolarHBondContact CE-OE1 3.49Å; K854-E875 IonicContact NZ-OE1 2.7Å; K854-E875 PolarHBondContact NZ-OE1 2.75Å; A860-E875 HydrophobicContact CB-CG 4.31Å; I863-E875 HydrophobicContact CB-CB 4.08Å; I863-E875 HydrophobicContact CG2-CB 4.28Å; I863-E875 PolarHBondContact O-N 2.83Å; E875-S877 PolarHBondContact O-N 2.95Å; E875-K878 VanDerWaalsContact CD-CE 3.43Å; E875-K878 WeakPolarHBondContact O-CE 3.48Å; E875-K878 WeakPolarHBondContact O-CG 3.34Å; E875-K878 VanDerWaalsContact OE1-CE 3.3Å; E875-K878 WeakPolarHBondContact OE1-CE 3.43Å; E875-K878 IonicContact OE1-NZ 2.61Å; E875-K878 PolarHBondContact OE1-NZ 3.16Å; E875-K878 WeakPolarHBondContact OE2-CE 3.42Å; E875-K878 IonicContact OE2-NZ 3.84Å; E875-K878 PolarHBondContact OE2-NZ 2.98Å
876	Q	84.8	Confident	89	Confident	86 Å²	86	61.6 Å²	61.6	40%	0.402	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-67.7	-18.9	172.6	-162.4	-166.4	44.4	0	0	113.4	A860 C861 L874	A860-Q876 PolarHBondContact O-N 2.85Å; C861-Q876 HydrophobicContact CB-CB 4.41Å; L874-Q876 VanDerWaalsContact C-N 3.31Å; L874-Q876 HydrophobicContact CD2-CB 4.34Å; L874-Q876 PolarHBondContact O-N 3.43Å
877	S	83.6	Confident	89	Confident	26 Å²	26	62 Å²	62	18%	0.182	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-142.7	60.9	-168.4	-60.1	0	0	0	0	111	L874 E875 G879 N880 R918	L874-S877 CarbonylContact O-C 3.54Å; L874-S877 PolarHBondContact O-N 3.27Å; E875-S877 PolarHBondContact O-N 2.95Å; S877-G879 PolarHBondContact O-N 2.96Å; S877-N880 PolarHBondContact O-N 3.32Å; S877-R918 PolarHBondContact OG-NH1 3.45Å
878	K	80.2	Confident	89.2	Confident	131 Å²	131	60.7 Å²	60.7	57%	0.57	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.1	-167.4	-52	-166.2	-173.5	-141.8	0	116.2	L874 E875	L874-K878 PolarHBondContact O-N 3.2Å; E875-K878 VanDerWaalsContact CD-CE 3.43Å; E875-K878 WeakPolarHBondContact O-CE 3.48Å; E875-K878 WeakPolarHBondContact O-CG 3.34Å; E875-K878 VanDerWaalsContact OE1-CE 3.3Å; E875-K878 WeakPolarHBondContact OE1-CE 3.43Å; E875-K878 IonicContact OE1-NZ 2.61Å; E875-K878 PolarHBondContact OE1-NZ 3.16Å; E875-K878 WeakPolarHBondContact OE2-CE 3.42Å; E875-K878 IonicContact OE2-NZ 3.84Å; E875-K878 PolarHBondContact OE2-NZ 2.98Å
879	G	77.1	Confident	89.5	Confident	73 Å²	73	61.3 Å²	61.3	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.3	172.1	0	0	0	0	0	114.9	S877	S877-G879 PolarHBondContact O-N 2.96Å
880	N	82.6	Confident	89.7	Confident	109 Å²	109	56.3 Å²	56.3	58%	0.583	30%	0.303	S	S	*	.			trans	-91	116.1	-175.4	-72.7	-18.6	0	0	0	111.2	S877	S877-N880 PolarHBondContact O-N 3.32Å
881	K	91.1	Very high	90	Very high	122 Å²	122	56.3 Å²	56.3	53%	0.53	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.3	173.9	-65.2	-177.5	173.4	-166	0	111.3	E871 L872 I873	E871-K881 IonicContact OE1-NZ 3.96Å; E871-K881 WeakPolarHBondContact OE2-CD 3.49Å; E871-K881 WeakPolarHBondContact OE2-CE 3.28Å; E871-K881 IonicContact OE2-NZ 2.76Å; E871-K881 PolarHBondContact OE2-NZ 3.43Å; L872-K881 CarbonylContact O-C 3.38Å; L872-K881 WeakPolarHBondContact O-CA 3.12Å; I873-K881 HydrophobicContact CG1-CG 4.29Å
882	T	91.8	Very high	89.9	Confident	60 Å²	60	58 Å²	58	37%	0.368	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-166.5	168.8	66.8	0	0	0	0	109.8	E871 L872	E871-T882 CarbonylContact C-O 3.55Å; E871-T882 WeakPolarHBondContact CA-O 3.32Å; L872-T882 PolarHBondContact N-O 3.2Å; L872-T882 PolarHBondContact O-N 3.39Å
883	S	93.4	Very high	89.6	Confident	44 Å²	44	64.6 Å²	64.6	31%	0.308	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.4	176	66.6	0	0	0	0	109.8	S885 R886 L887	S883-S885 PolarHBondContact O-N 3.4Å; S883-R886 PolarHBondContact O-N 3.31Å; S883-R886 VanDerWaalsContact O-N 3.11Å; S883-R886 PolarHBondContact OG-N 3.3Å; S883-L887 WeakPolarHBondContact O-CB 3.36Å; S883-L887 PolarHBondContact O-N 2.62Å
884	Y	94.5	Very high	89.4	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-52.8	-42.5	175.6	-70.3	-63.7	0	0	0	112.4	T727 H747 I750 L753 Y754 F843 V866 L872 L887 S888	T727-Y884 PolarHBondContact O-OH 3.01Å; H747-Y884 HydrophobicContact CB-CD2 3.87Å; H747-Y884 HydrophobicContact CB-CE2 3.55Å; H747-Y884 AromaticContact CG-CE2 3.96Å; I750-Y884 HydrophobicContact CB-CD1 4.21Å; I750-Y884 HydrophobicContact CB-CD2 4.03Å; I750-Y884 HydrophobicContact CB-CE1 4.35Å; I750-Y884 HydrophobicContact CB-CE2 4.16Å; I750-Y884 HydrophobicContact CB-CG 4.05Å; I750-Y884 HydrophobicContact CD1-CE1 3.88Å; I750-Y884 HydrophobicContact CD1-CE2 4.04Å; I750-Y884 HydrophobicContact CG1-CD1 3.93Å; I750-Y884 HydrophobicContact CG1-CD2 4.4Å; I750-Y884 HydrophobicContact CG1-CE1 3.69Å; I750-Y884 HydrophobicContact CG1-CE2 4.18Å; I750-Y884 HydrophobicContact CG1-CG 4.28Å; L753-Y884 HydrophobicContact CD2-CD1 3.77Å; L753-Y884 HydrophobicContact CD2-CE1 4.49Å; Y754-Y884 HydrophobicContact CE1-CE1 4.42Å; F843-Y884 HydrophobicContact CD1-CE1 4.07Å; F843-Y884 HydrophobicContact CE1-CE1 4.23Å; V866-Y884 HydrophobicContact CG2-CE2 3.99Å; L872-Y884 HydrophobicContact CD1-CD1 3.87Å; L872-Y884 HydrophobicContact CD1-CE1 4.18Å; L872-Y884 HydrophobicContact CD1-CG 4.37Å; L872-Y884 HydrophobicContact CD2-CD1 4.18Å; L872-Y884 HydrophobicContact CD2-CE1 3.75Å; L872-Y884 HydrophobicContact CD2-CE2 4.34Å; L872-Y884 HydrophobicContact CG-CD1 4.37Å; L872-Y884 HydrophobicContact CG-CE1 4.42Å; Y884-L887 PolarHBondContact O-N 3.39Å; Y884-S888 WeakPolarHBondContact O-CB 3.32Å; Y884-S888 PolarHBondContact O-N 2.8Å
885	S	92.7	Very high	89.5	Confident	58 Å²	58	62.3 Å²	62.3	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176	-49.4	0	0	0	0	113	S883 L887 S888 E889	S883-S885 PolarHBondContact O-N 3.4Å; S885-L887 VanDerWaalsContact C-N 3.31Å; S885-L887 PolarHBondContact O-N 3.32Å; S885-S888 WeakPolarHBondContact O-CB 3.36Å; S885-S888 PolarHBondContact O-N 3.49Å; S885-E889 PolarHBondContact O-N 3.46Å
886	R	92.6	Very high	89.5	Confident	128 Å²	128	63 Å²	63	48%	0.483	33%	0.334	S	S	.	.	H	α-helix	trans	-71.3	-27.2	179.6	-176.4	54.1	175.8	-178.9	1.7	112.6	S883 E889 L890	S883-R886 PolarHBondContact O-N 3.31Å; S883-R886 VanDerWaalsContact O-N 3.11Å; S883-R886 PolarHBondContact OG-N 3.3Å; R886-E889 WeakPolarHBondContact CD-OE2 3.2Å; R886-E889 IonicContact CZ-OE2 3.54Å; R886-E889 IonicContact NE-OE2 3.26Å; R886-E889 IonicContact NH1-OE2 2.75Å; R886-E889 PolarHBondContact NH1-OE2 2.94Å; R886-L890 WeakPolarHBondContact O-CG 3.27Å
887	L	93.2	Very high	89.7	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-74	-34.2	171.2	-173.2	54.9	0	0	0	111.4	L753 F843 F864 L872 S883 Y884 S885 L890 V891 V894 F895	L753-L887 HydrophobicContact CD1-CB 4.3Å; L753-L887 HydrophobicContact CD1-CG 3.96Å; L753-L887 HydrophobicContact CD2-CB 4.25Å; L753-L887 HydrophobicContact CD2-CD2 3.75Å; L753-L887 HydrophobicContact CD2-CG 4.01Å; F843-L887 HydrophobicContact CE1-CD2 3.9Å; F843-L887 HydrophobicContact CZ-CD2 4.06Å; F864-L887 HydrophobicContact CD1-CD2 4.03Å; F864-L887 HydrophobicContact CE1-CD1 4.24Å; F864-L887 HydrophobicContact CE1-CD2 3.79Å; F864-L887 HydrophobicContact CE2-CD2 4.42Å; F864-L887 HydrophobicContact CG-CD2 4.44Å; F864-L887 HydrophobicContact CZ-CD1 4.31Å; F864-L887 HydrophobicContact CZ-CD2 4.01Å; L872-L887 HydrophobicContact CD1-CB 4.25Å; L872-L887 HydrophobicContact CD1-CD2 3.66Å; S883-L887 WeakPolarHBondContact O-CB 3.36Å; S883-L887 PolarHBondContact O-N 2.62Å; Y884-L887 PolarHBondContact O-N 3.39Å; S885-L887 VanDerWaalsContact C-N 3.31Å; S885-L887 PolarHBondContact O-N 3.32Å; L887-L890 CarbonylContact O-C 3.43Å; L887-L890 PolarHBondContact O-N 3.07Å; L887-L890 VanDerWaalsContact O-N 3.08Å; L887-V891 PolarHBondContact O-N 3.15Å; L887-V891 VanDerWaalsContact O-N 3.15Å; L887-V894 HydrophobicContact CD1-CB 4.3Å; L887-V894 HydrophobicContact CD1-CG1 4.25Å; L887-V894 HydrophobicContact CD1-CG2 3.99Å; L887-F895 HydrophobicContact CD1-CE2 4.28Å; L887-F895 HydrophobicContact CD2-CE2 4.41Å; L887-F895 HydrophobicContact CG-CE2 4.32Å
888	S	93.6	Very high	89.7	Confident	8 Å²	8	65 Å²	65	6%	0.056	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-36.7	173	172.4	0	0	0	0	112.2	Y884 S885 L890 V891	Y884-S888 WeakPolarHBondContact O-CB 3.32Å; Y884-S888 PolarHBondContact O-N 2.8Å; S885-S888 WeakPolarHBondContact O-CB 3.36Å; S885-S888 PolarHBondContact O-N 3.49Å; S888-L890 PolarHBondContact O-N 2.95Å; S888-V891 WeakPolarHBondContact O-CB 3.39Å; S888-V891 WeakPolarHBondContact O-CG1 3.34Å; S888-V891 PolarHBondContact O-N 2.91Å
889	E	93.1	Very high	89.1	Confident	117 Å²	117	61.5 Å²	61.5	55%	0.547	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.4	171.3	-70.4	165.2	-159.7	0	0	113.8	S885 R886	S885-E889 PolarHBondContact O-N 3.46Å; R886-E889 WeakPolarHBondContact CD-OE2 3.2Å; R886-E889 IonicContact CZ-OE2 3.54Å; R886-E889 IonicContact NE-OE2 3.26Å; R886-E889 IonicContact NH1-OE2 2.75Å; R886-E889 PolarHBondContact NH1-OE2 2.94Å
890	L	91.7	Very high	87.9	Confident	65 Å²	65	64.5 Å²	64.5	34%	0.34	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	13.3	-178.3	-62.2	175.5	0	0	0	112.5	R886 L887 S888 E892 H893 V894	R886-L890 WeakPolarHBondContact O-CG 3.27Å; L887-L890 CarbonylContact O-C 3.43Å; L887-L890 PolarHBondContact O-N 3.07Å; L887-L890 VanDerWaalsContact O-N 3.08Å; S888-L890 PolarHBondContact O-N 2.95Å; L890-E892 PolarHBondContact O-N 2.83Å; L890-H893 PolarHBondContact O-N 2.74Å; L890-V894 HydrophobicContact CB-CG2 4.44Å; L890-V894 PolarHBondContact O-N 2.98Å
891	V	92.9	Very high	86.2	Confident	14 Å²	14	68.1 Å²	68.1	9%	0.085	35%	0.349	C	S	.	.	H	α-helix	trans	-55.3	-46.1	-171	66.8	0	0	0	0	112.4	V757 L887 S888 H893 V894 F895	V757-V891 HydrophobicContact CG2-CG2 3.72Å; L887-V891 PolarHBondContact O-N 3.15Å; L887-V891 VanDerWaalsContact O-N 3.15Å; S888-V891 WeakPolarHBondContact O-CB 3.39Å; S888-V891 WeakPolarHBondContact O-CG1 3.34Å; S888-V891 PolarHBondContact O-N 2.91Å; V891-H893 PolarHBondContact O-N 3.32Å; V891-H893 VanDerWaalsContact O-N 3.11Å; V891-V894 PolarHBondContact O-N 2.88Å; V891-F895 HydrophobicContact CG2-CB 4.17Å; V891-F895 HydrophobicContact CG2-CD2 4.22Å; V891-F895 CarbonylContact O-C 3.17Å; V891-F895 WeakPolarHBondContact O-CA 3.43Å; V891-F895 PolarHBondContact O-N 2.82Å
892	E	89.4	Confident	83.9	Confident	85 Å²	85	69.3 Å²	69.3	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-58.5	-26.7	177.7	-63.2	-49.4	113.6	0	0	114.8	N760 L890 P896 L897	N760-E892 PolarHBondContact ND2-OE1 2.94Å; L890-E892 PolarHBondContact O-N 2.83Å; E892-P896 WeakPolarHBondContact O-CA 3.48Å; E892-L897 WeakPolarHBondContact OE2-CD1 3.43Å
893	H	87.1	Confident	81.5	Confident	137 Å²	137	69.1 Å²	69.1	63%	0.634	36%	0.357	S	S	*	.	H	α-helix	trans	-91.8	-26.2	-177.2	-65.9	73.6	0	0	0	112.6	L890 V891	L890-H893 PolarHBondContact O-N 2.74Å; V891-H893 PolarHBondContact O-N 3.32Å; V891-H893 VanDerWaalsContact O-N 3.11Å
894	V	89.5	Confident	79.1	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.055	38%	0.379	C	S	.	.	H	α-helix	trans	-101.1	-31.3	-177.6	-175	0	0	0	0	111.5	Y840 F864 L887 L890 V891	Y840-V894 VanDerWaalsContact CE1-O 3.24Å; Y840-V894 WeakPolarHBondContact CE1-O 3.46Å; Y840-V894 PolarHBondContact OH-O 2.88Å; F864-V894 HydrophobicContact CZ-CG1 4.1Å; L887-V894 HydrophobicContact CD1-CB 4.3Å; L887-V894 HydrophobicContact CD1-CG1 4.25Å; L887-V894 HydrophobicContact CD1-CG2 3.99Å; L890-V894 HydrophobicContact CB-CG2 4.44Å; L890-V894 PolarHBondContact O-N 2.98Å; V891-V894 PolarHBondContact O-N 2.88Å
895	F	93.6	Very high	76.6	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.41	C	S	.	.	S	Bend	trans	-133.8	65.7	-176.9	-54.3	-83.9	0	0	0	109.7	I720 V757 N760 Y762 Y840 A841 F843 F864 L887 V891	I720-F895 HydrophobicContact CD1-CD1 4.02Å; I720-F895 HydrophobicContact CD1-CE1 3.88Å; V757-F895 HydrophobicContact CB-CG 4.48Å; V757-F895 HydrophobicContact CG1-CB 4.3Å; V757-F895 HydrophobicContact CG1-CD1 3.84Å; V757-F895 HydrophobicContact CG1-CE1 4.33Å; V757-F895 HydrophobicContact CG1-CG 4.05Å; V757-F895 HydrophobicContact CG2-CB 4.07Å; V757-F895 HydrophobicContact CG2-CD1 4.12Å; V757-F895 HydrophobicContact CG2-CD2 3.55Å; V757-F895 HydrophobicContact CG2-CE1 4.47Å; V757-F895 HydrophobicContact CG2-CE2 3.94Å; V757-F895 HydrophobicContact CG2-CG 3.66Å; V757-F895 HydrophobicContact CG2-CZ 4.4Å; N760-F895 PolarHBondContact ND2-O 2.88Å; Y762-F895 HydrophobicContact CD2-CB 4.36Å; Y762-F895 HydrophobicContact CE2-CB 3.85Å; Y840-F895 AromaticContact CD1-CD1 3.87Å; Y840-F895 HydrophobicContact CD1-CD1 3.87Å; Y840-F895 HydrophobicContact CD1-CE1 4.12Å; Y840-F895 AromaticContact CE1-CD1 3.58Å; Y840-F895 HydrophobicContact CE1-CD1 3.58Å; Y840-F895 HydrophobicContact CE1-CE1 4.03Å; Y840-F895 HydrophobicContact CE1-CG 4.42Å; A841-F895 HydrophobicContact CB-CE1 3.69Å; A841-F895 HydrophobicContact CB-CZ 4.3Å; F843-F895 HydrophobicContact CE2-CZ 4.34Å; F843-F895 HydrophobicContact CZ-CZ 4.06Å; F864-F895 HydrophobicContact CE2-CZ 4.06Å; L887-F895 HydrophobicContact CD1-CE2 4.28Å; L887-F895 HydrophobicContact CD2-CE2 4.41Å; L887-F895 HydrophobicContact CG-CE2 4.32Å; V891-F895 HydrophobicContact CG2-CB 4.17Å; V891-F895 HydrophobicContact CG2-CD2 4.22Å; V891-F895 CarbonylContact O-C 3.17Å; V891-F895 WeakPolarHBondContact O-CA 3.43Å; V891-F895 PolarHBondContact O-N 2.82Å
896	P	91.8	Very high	74.2	Confident	42 Å²	42	78.6 Å²	78.6	27%	0.273	41%	0.412	S	S	.	.			trans	-62.4	146.4	-174.3	26.7	-36	0	0	0	113	Y762 E892 R898	Y762-P896 WeakPolarHBondContact CE2-O 3.45Å; Y762-P896 PolarHBondContact OH-O 3.49Å; E892-P896 WeakPolarHBondContact O-CA 3.48Å; P896-R898 PolarHBondContact O-N 2.89Å
897	L	89.4	Confident	71.6	Confident	87 Å²	87	77 Å²	77	46%	0.455	42%	0.42	S	S	.	.			trans	-48.1	120.8	174.6	-81.2	156.6	0	0	0	113	N760 E892 S899	N760-L897 HydrophobicContact CB-CD2 4.3Å; N760-L897 HydrophobicContact CB-CG 4.43Å; N760-L897 WeakPolarHBondContact OD1-CD2 3.5Å; E892-L897 WeakPolarHBondContact OE2-CD1 3.43Å; L897-S899 PolarHBondContact O-N 3.3Å; L897-S899 VanDerWaalsContact O-N 3.16Å
898	R	83	Confident	69.3	Low	67 Å²	67	79.8 Å²	79.8	25%	0.253	44%	0.44	S	S	.	.			trans	-73.5	5.5	177.9	-76	-176.8	62.2	-148.6	-0.6	115.3	D716 D717 N760 G761 Y762 P896 T900	D716-R898 PolarHBondContact O-NH2 3.09Å; D716-R898 IonicContact OD2-NH2 3.75Å; D716-R898 PolarHBondContact OD2-NH2 2.69Å; D717-R898 IonicContact OD1-CZ 2.68Å; D717-R898 IonicContact OD1-NH1 3.51Å; D717-R898 PolarHBondContact OD1-NH1 2.71Å; D717-R898 IonicContact OD1-NH2 2.81Å; D717-R898 PolarHBondContact OD1-NH2 3.35Å; N760-R898 PolarHBondContact O-N 2.53Å; G761-R898 WeakPolarHBondContact O-CD 3.11Å; G761-R898 PolarHBondContact O-NH1 3.29Å; Y762-R898 HydrophobicContact CE2-CG 4.48Å; P896-R898 PolarHBondContact O-N 2.89Å; R898-T900 PolarHBondContact O-N 3.07Å
899	S	67.6	Low	67.1	Low	56 Å²	56	82 Å²	82	39%	0.392	45%	0.454	S	S	.	.			trans	-69.7	132.1	-170	69.9	0	0	0	0	113	L897 Q901 H902 C903	L897-S899 PolarHBondContact O-N 3.3Å; L897-S899 VanDerWaalsContact O-N 3.16Å; S899-Q901 PolarHBondContact O-N 2.87Å; S899-H902 PolarHBondContact O-N 2.83Å; S899-H902 VanDerWaalsContact O-N 3.14Å; S899-C903 PolarHBondContact O-N 3.18Å
900	T	51.7	Low	65	Low	137 Å²	137	80.2 Å²	80.2	84%	0.84	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.6	-163.9	-31.1	0	0	0	0	114.7	R898	R898-T900 PolarHBondContact O-N 3.07Å
901	Q	46.2	Very low	63	Low	185 Å²	185	83.6 Å²	83.6	86%	0.864	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-15.2	-178.5	-63.7	-174.1	4.9	0	0	114.2	S899	S899-Q901 PolarHBondContact O-N 2.87Å
902	H	43.8	Very low	61.2	Low	147 Å²	147	83.8 Å²	83.8	68%	0.681	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-10	177.1	-71.5	-72.4	0	0	0	114.1	S899 A904	S899-H902 PolarHBondContact O-N 2.83Å; S899-H902 VanDerWaalsContact O-N 3.14Å; H902-A904 PolarHBondContact O-N 3.26Å
903	C	40.7	Very low	59.4	Low	55 Å²	55	83.4 Å²	83.4	37%	0.372	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-69.3	-12.9	-173.1	-160.3	0	0	0	0	115	S899 T905 F906	S899-C903 PolarHBondContact O-N 3.18Å; C903-T905 PolarHBondContact O-N 3.31Å; C903-F906 PolarHBondContact O-N 3.35Å; C903-F906 VanDerWaalsContact O-N 3.09Å
904	A	42.6	Very low	58	Low	93 Å²	93	79.6 Å²	79.6	77%	0.769	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-61.3	-13.8	-178.4	0	0	0	0	0	115	H902	H902-A904 PolarHBondContact O-N 3.26Å
905	T	42.3	Very low	56.4	Low	108 Å²	108	80 Å²	80	66%	0.663	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-90.6	-15.8	178.3	-40.8	0	0	0	0	113.3	C903	C903-T905 PolarHBondContact O-N 3.31Å
906	F	43.6	Very low	54.4	Low	102 Å²	102	86.1 Å²	86.1	45%	0.447	48%	0.478	S	S	.	.			trans	-137.7	32.5	-167.3	-62.2	-63.9	0	0	0	114.4	C903 C908	C903-F906 PolarHBondContact O-N 3.35Å; C903-F906 VanDerWaalsContact O-N 3.09Å; F906-C908 PolarHBondContact O-N 3.41Å
907	S	37.6	Very low	52.7	Low	94 Å²	94	93.8 Å²	93.8	66%	0.657	50%	0.502	S	S	*	.	S	Bend	trans	-63.4	-10.2	-176.9	-47.1	0	0	0	0	115.3
908	C	44.3	Very low	51.1	Low	68 Å²	68	94.9 Å²	94.9	46%	0.459	50%	0.5	S	S	.	.	S	Bend	trans	-121.9	107.7	168.6	-59.1	0	0	0	0	109.3	F906 D910 F911	F906-C908 PolarHBondContact O-N 3.41Å; C908-D910 PolarHBondContact O-N 2.89Å; C908-D910 VanDerWaalsContact O-N 3.12Å; C908-F911 HydrophobicContact CB-CB 4.13Å; C908-F911 HydrophobicContact CB-CD2 3.54Å; C908-F911 HydrophobicContact CB-CE2 4.34Å; C908-F911 HydrophobicContact CB-CG 4.14Å; C908-F911 PolarHBondContact O-N 2.99Å
909	P	48.5	Very low	49.6	Very low	53 Å²	53	100.5 Å²	100.5	34%	0.344	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-60.7	-24.4	-176	-26.5	35.9	0	0	0	114.6	Y840 R862 F911 S912	Y840-P909 HydrophobicContact CE2-CB 4.39Å; R862-P909 PolarHBondContact NH2-O 3.05Å; P909-F911 VanDerWaalsContact C-N 3.25Å; P909-S912 WeakPolarHBondContact O-CB 3.26Å; P909-S912 PolarHBondContact O-N 2.75Å; P909-S912 PolarHBondContact O-OG 3.02Å
910	D	48.4	Very low	49	Very low	80 Å²	80	103.8 Å²	103.8	43%	0.428	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-76.6	-15.5	177.9	-44.5	-62.1	0	0	0	112.4	C908 C915 Y916	C908-D910 PolarHBondContact O-N 2.89Å; C908-D910 VanDerWaalsContact O-N 3.12Å; D910-C915 WeakPolarHBondContact O-CB 3.27Å; D910-Y916 PolarHBondContact O-N 2.6Å
911	F	49	Very low	49.4	Very low	137 Å²	137	104.9 Å²	104.9	60%	0.601	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-101.6	8.9	175.4	-65.5	-106.2	0	0	0	112.1	C908 P909 Y916	C908-F911 HydrophobicContact CB-CB 4.13Å; C908-F911 HydrophobicContact CB-CD2 3.54Å; C908-F911 HydrophobicContact CB-CE2 4.34Å; C908-F911 HydrophobicContact CB-CG 4.14Å; C908-F911 PolarHBondContact O-N 2.99Å; P909-F911 VanDerWaalsContact C-N 3.25Å; F911-Y916 HydrophobicContact CB-CD2 4.25Å; F911-Y916 AromaticContact CD1-CD2 3.49Å; F911-Y916 HydrophobicContact CD1-CD2 3.49Å; F911-Y916 VanDerWaalsContact CD1-CD2 3.49Å; F911-Y916 AromaticContact CD1-CE2 3.54Å; F911-Y916 HydrophobicContact CD1-CE2 3.54Å; F911-Y916 HydrophobicContact CE1-CD2 4.15Å; F911-Y916 AromaticContact CE1-CE2 3.92Å; F911-Y916 HydrophobicContact CE1-CE2 3.92Å; F911-Y916 HydrophobicContact CG-CD2 4.13Å
912	S	55.3	Low	49.9	Very low	17 Å²	17	99.9 Å²	99.9	12%	0.119	54%	0.538	C	S	.	.	S	Bend	trans	-62.1	152.9	165.6	64.1	0	0	0	0	110.9	P909 F914 C915 Y916	P909-S912 WeakPolarHBondContact O-CB 3.26Å; P909-S912 PolarHBondContact O-N 2.75Å; P909-S912 PolarHBondContact O-OG 3.02Å; S912-F914 PolarHBondContact O-N 2.78Å; S912-C915 PolarHBondContact O-N 3.48Å; S912-Y916 VanDerWaalsContact O-CB 3.29Å; S912-Y916 WeakPolarHBondContact O-CB 3.07Å; S912-Y916 PolarHBondContact O-N 2.95Å
913	S	51.8	Low	50.1	Low	78 Å²	78	102.2 Å²	102.2	55%	0.545	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	179.3	58.6	0	0	0	0	114.2
914	F	57.4	Low	50.7	Low	56 Å²	56	104.1 Å²	104.1	25%	0.246	56%	0.559	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-34	173.3	-175.3	-98.8	0	0	0	113.1	C861 L874 S912 R918	C861-F914 HydrophobicContact CB-CE1 4.2Å; C861-F914 WeakPolarHBondContact O-CE1 3.44Å; L874-F914 HydrophobicContact CD2-CZ 4.41Å; S912-F914 PolarHBondContact O-N 2.78Å; F914-R918 PolarHBondContact O-NE 3.07Å
915	C	55.3	Low	50.7	Low	19 Å²	19	102.3 Å²	102.3	13%	0.128	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-48.5	-177	-66.9	0	0	0	0	112.6	D910 S912 W917 R918	D910-C915 WeakPolarHBondContact O-CB 3.27Å; S912-C915 PolarHBondContact O-N 3.48Å; C915-W917 PolarHBondContact O-N 3.31Å; C915-R918 WeakPolarHBondContact O-CB 3.49Å; C915-R918 PolarHBondContact O-N 3.1Å; C915-R918 VanDerWaalsContact O-N 3.1Å
916	Y	51.9	Low	50.9	Low	128 Å²	128	105 Å²	105	50%	0.502	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-40.9	-168.2	-174.2	-114.4	0	0	0	114.9	D910 F911 S912 R918	D910-Y916 PolarHBondContact O-N 2.6Å; F911-Y916 HydrophobicContact CB-CD2 4.25Å; F911-Y916 AromaticContact CD1-CD2 3.49Å; F911-Y916 HydrophobicContact CD1-CD2 3.49Å; F911-Y916 VanDerWaalsContact CD1-CD2 3.49Å; F911-Y916 AromaticContact CD1-CE2 3.54Å; F911-Y916 HydrophobicContact CD1-CE2 3.54Å; F911-Y916 HydrophobicContact CE1-CD2 4.15Å; F911-Y916 AromaticContact CE1-CE2 3.92Å; F911-Y916 HydrophobicContact CE1-CE2 3.92Å; F911-Y916 HydrophobicContact CG-CD2 4.13Å; S912-Y916 VanDerWaalsContact O-CB 3.29Å; S912-Y916 WeakPolarHBondContact O-CB 3.07Å; S912-Y916 PolarHBondContact O-N 2.95Å; Y916-R918 PolarHBondContact O-N 2.7Å
917	W	56.2	Low	51.4	Low	203 Å²	203	108.4 Å²	108.4	77%	0.769	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	6.7	-177.2	-58.8	117	0	0	0	113.8	C915	C915-W917 PolarHBondContact O-N 3.31Å
918	R	56.8	Low	52.1	Low	109 Å²	109	111.9 Å²	111.9	41%	0.411	57%	0.566	S	S	.	*	S	Bend	trans	-103.9	119.5	175.3	-61.5	-177.9	176	-132.1	-15.2	108.7	S877 F914 C915 Y916	S877-R918 PolarHBondContact OG-NH1 3.45Å; F914-R918 PolarHBondContact O-NE 3.07Å; C915-R918 WeakPolarHBondContact O-CB 3.49Å; C915-R918 PolarHBondContact O-N 3.1Å; C915-R918 VanDerWaalsContact O-N 3.1Å; Y916-R918 PolarHBondContact O-N 2.7Å
919	Q	50	Low	52.4	Low	186 Å²	186	114.4 Å²	114.4	87%	0.869	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-54.1	132.9	174.7	-72.8	177	-46.4	0	0	110.1	I921	Q919-I921 PolarHBondContact O-N 3.3Å
920	P	56.4	Low	51.9	Low	124 Å²	124	122.4 Å²	122.4	81%	0.805	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-53.9	139.1	163.7	-23.7	34.2	0	0	0	109.5	A922	P920-A922 PolarHBondContact O-N 2.6Å
921	I	59.8	Low	52	Low	160 Å²	160	124.6 Å²	124.6	82%	0.821	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.1	125.5	167.9	-61.9	168.4	0	0	0	106	Q919 E923	Q919-I921 PolarHBondContact O-N 3.3Å; I921-E923 PolarHBondContact O-N 3.27Å
922	A	57.3	Low	52.2	Low	81 Å²	81	123.9 Å²	123.9	67%	0.669	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-58.9	130.4	176.5	0	0	0	0	0	109.7	P920 V924	P920-A922 PolarHBondContact O-N 2.6Å; A922-V924 PolarHBondContact O-N 2.95Å
923	E	46.4	Very low	52	Low	195 Å²	195	129.8 Å²	129.8	91%	0.911	65%	0.652	S	S	*	*			trans	-67.4	115.9	172.2	-66.9	-172.7	136.2	0	0	108.2	I921 C925	I921-E923 PolarHBondContact O-N 3.27Å; E923-C925 PolarHBondContact O-N 3.48Å
924	V	53.6	Low	52	Low	95 Å²	95	132.9 Å²	132.9	58%	0.576	66%	0.658	S	S	*	*			trans	-74.4	108.8	178.1	178.4	0	0	0	0	107.8	A922 F926 L929	A922-V924 PolarHBondContact O-N 2.95Å; V924-F926 PolarHBondContact O-N 2.82Å; V924-L929 HydrophobicContact CG1-CD1 3.48Å; V924-L929 VanDerWaalsContact CG1-CD1 3.48Å; V924-L929 HydrophobicContact CG1-CG 4.49Å
925	C	42.6	Very low	51.7	Low	56 Å²	56	137.7 Å²	137.7	38%	0.378	68%	0.684	S	S	.	*			trans	-69	115.7	172.4	-168	0	0	0	0	109.1	E923 E927 E928	E923-C925 PolarHBondContact O-N 3.48Å; C925-E927 PolarHBondContact O-N 3.29Å; C925-E928 HydrophobicContact CB-CG 4.21Å; C925-E928 PolarHBondContact O-N 2.78Å; C925-E928 VanDerWaalsContact O-N 3.09Å
926	F	47.4	Very low	51.5	Low	165 Å²	165	145.6 Å²	145.6	72%	0.724	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-68.1	-13.5	178.2	-83.6	-88.8	0	0	0	113.2	V924 E928	V924-F926 PolarHBondContact O-N 2.82Å; F926-E928 VanDerWaalsContact C-N 3.32Å
927	E	53.9	Low	51.4	Low	172 Å²	172	146.9 Å²	146.9	80%	0.804	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-80.1	-10.9	172.6	-57	-175.3	140.6	0	0	113	C925	C925-E927 PolarHBondContact O-N 3.29Å
928	E	52.2	Low	51.1	Low	168 Å²	168	142.5 Å²	142.5	79%	0.785	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-97.7	9.9	171.6	-63.9	-171.5	138.1	0	0	112.9	C925 F926	C925-E928 HydrophobicContact CB-CG 4.21Å; C925-E928 PolarHBondContact O-N 2.78Å; C925-E928 VanDerWaalsContact O-N 3.09Å; F926-E928 VanDerWaalsContact C-N 3.32Å
929	L	50.8	Low	50.6	Low	121 Å²	121	145.3 Å²	145.3	63%	0.634	76%	0.761	S	S	*	*			trans	-124.4	20.5	179.8	-76.2	175	0	0	0	113.5	V924	V924-L929 HydrophobicContact CG1-CD1 3.48Å; V924-L929 VanDerWaalsContact CG1-CD1 3.48Å; V924-L929 HydrophobicContact CG1-CG 4.49Å
930	L	36.7	Very low	50.6	Low	221 Å²	221	141.6 Å²	141.6	100%	1.157	75%	0.751	S	S	*	*			trans	-128.8	0	173.7	-78.4	168.6	0	0	0	110.6

Retrieved 930 of 930 residues in 117.4 ms (Link to these results)

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