A0A5K4F510_SCHMA Loading...

DUF4550 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F510, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 829 aa.

						>A0A5K4F510_SCHMA|A0A5K4F510
MSSVMKHGICWNEQSEDKIYEDDGDDGNEEHTTDIILTFVLAVDSETLLNRESTIARPKSVNSSSSGLSNGHNNFMYFHLEYSIMNKDDFLFSTDVVVFSKSIAKIYPTNCSSKLANPCEFNDTLWIVWTEQIPIVITDEIIIDFWNLTQTGGIRIKCWDQRDKCSIQTRFDRPRSVNNNSNKQSEDNLKDGKKLSEVQSTITMLNSYRKNSKNTQMNNSNTESVSKGCKTISQSKTKNHIKYVNTSNQSCSSRMKVLSAGYRSRKTDKIQDPVESWGTCCLVLQTGHLFRINPPGWIVASKPLTQTTNISLNKPPLSSVTLELESNFKDILVGMKLSNPLMSDHQRQKFQPIILTIDRLHNLPVAPYRSYEEMRNICEPLRLVTTFSDVWSHQSRDYVQEKEIYMDEVQVILTYDIPGLYLRELVQTLPVVIDLYDRVCHDDGTNEVKQLPGNGLFCTEPDDDKIGKAQPNLKTNVFSTKCIDKNTGENRSKIPSPTGRIVLDLSEIIHLKCVKMKRTLPILPISESDLDLLKDHRSINENPRSIPRSYIGYVDCQCEISIEIEMNINMNRLLQINTLPENAQTIERMVFILEKPDKTEIEAKYVSEIIEKIQLFVLKSNARSIGISDELPLHIIKANLNSRQSQYMPCIHSKSSNAILLNNSNDKHNNEDIPLVNKLITGFYLNDEDFNLIILETDHHDISQSLESLFIECFNKYNEYSKLYSIHKYNNNNNIKFLKNNKILFTKRLYASLNWYLLEYKMLIPIKSIINQSIFYIRDLLPRLIYCFIYKIINLRFYCFNLSNYSYQNSSNLHQTLKVFTPIQYRTSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	30.5	Very low	28.9	Very low	255 Å²	255	158.7 Å²	158.7	100%	1.256	86%	0.855	S	S	*	*				0	12.5	0	-89.8	-173.7	152.9	0	0	114.6
2	S	25.9	Very low	28.7	Very low	123 Å²	123	158.7 Å²	158.7	86%	0.86	86%	0.855	S	S	*	*			trans	-119.1	34.5	-177.1	80.2	0	0	0	0	115.6
3	S	27.2	Very low	28.7	Very low	115 Å²	115	157.4 Å²	157.4	80%	0.804	84%	0.84	S	S	*	*	S	Bend	trans	-122	13.6	-179.6	69.2	0	0	0	0	115.6
4	V	34.2	Very low	28.7	Very low	139 Å²	139	156.8 Å²	156.8	84%	0.842	83%	0.83	S	S	*	*	S	Bend	trans	-111	-9.5	179.6	-175.7	0	0	0	0	113.1
5	M	30.7	Very low	28.7	Very low	191 Å²	191	152.2 Å²	152.2	94%	0.941	82%	0.815	S	S	*	*	S	Bend	trans	-101.2	40.6	-179.1	-82.2	-164.3	171.3	0	0	114.9
6	K	27.6	Very low	28.7	Very low	190 Å²	190	151.1 Å²	151.1	83%	0.826	80%	0.804	S	S	*	*	S	Bend	trans	-135.7	78	168.2	-76.2	-171.7	178.4	-178.1	0	108.9
7	H	29.4	Very low	29	Very low	203 Å²	203	149.7 Å²	149.7	94%	0.94	80%	0.796	S	S	*	*	S	Bend	trans	-170.1	36.6	150	-90.3	16.7	0	0	0	110.3
8	G	26.7	Very low	29.1	Very low	74 Å²	74	150.9 Å²	150.9	76%	0.763	79%	0.794	S	S	*	*			trans	-131.8	65.4	179.1	0	0	0	0	0	111
9	I	27.9	Very low	29.6	Very low	172 Å²	172	149.2 Å²	149.2	88%	0.882	78%	0.784	S	S	*	*			trans	-144.1	128.6	165.8	-57.1	-179.2	0	0	0	107.6
10	C	27.4	Very low	30.1	Very low	74 Å²	74	149.5 Å²	149.5	50%	0.5	78%	0.775	S	S	.	*			trans	104.6	55.8	166.1	-148.2	0	0	0	0	117.7
11	W	30.5	Very low	30.4	Very low	210 Å²	210	151.3 Å²	151.3	80%	0.795	78%	0.78	S	S	*	*			trans	-144.1	78.1	146.9	-64.2	89.4	0	0	0	108.6
12	N	26.9	Very low	30.5	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	75%	0.75	S	S	*	*			trans	-153.5	91.6	162.4	-111.6	-0.2	0	0	0	106.9
13	E	27.8	Very low	31.1	Very low	142 Å²	142	146.4 Å²	146.4	66%	0.664	75%	0.749	S	S	*	*	S	Bend	trans	167.6	127.9	143.7	-93.7	173.5	-172.4	0	0	108.2
14	Q	28.6	Very low	31.6	Very low	149 Å²	149	144.3 Å²	144.3	70%	0.696	75%	0.746	S	S	*	*			trans	76.7	127.5	173.4	-51.2	177.2	2.8	0	0	114.2
15	S	29.8	Very low	32	Very low	88 Å²	88	143.5 Å²	143.5	62%	0.615	74%	0.737	S	S	*	*			cis	-169.8	137.2	16.5	43.1	0	0	0	0	109.3	D17	S15-D17 PolarHBondContact O-N 3Å
16	E	28.3	Very low	33	Very low	135 Å²	135	142.3 Å²	142.3	63%	0.631	73%	0.734	S	S	*	*			trans	23.4	84.4	149.3	-59.3	-171.7	135.4	0	0	119.2	K18	E16-K18 IonicContact OE1-NZ 2.85Å
17	D	34.2	Very low	34.3	Very low	127 Å²	127	134.7 Å²	134.7	68%	0.679	71%	0.71	S	S	*	*			trans	-106.6	74.4	146.3	-93.7	-25.6	0	0	0	108.4	S15 I19	S15-D17 PolarHBondContact O-N 3Å; D17-I19 PolarHBondContact O-N 3.16Å
18	K	29.5	Very low	36.1	Very low	172 Å²	172	129.8 Å²	129.8	75%	0.748	69%	0.691	S	S	*	*			trans	-70.7	76.5	165.5	-78.2	179.4	176.7	162.7	0	109.4	E16	E16-K18 IonicContact OE1-NZ 2.85Å
19	I	38.8	Very low	38.7	Very low	118 Å²	118	129.5 Å²	129.5	61%	0.605	67%	0.669	S	S	*	*			trans	-137.3	47.9	159.9	-44.1	177.4	0	0	0	108.8	D17 R572	D17-I19 PolarHBondContact O-N 3.16Å; I19-R572 PolarHBondContact O-NH2 3.3Å
20	Y	40.6	Very low	41.7	Very low	155 Å²	155	127.1 Å²	127.1	61%	0.608	65%	0.654	S	S	*	*	S	Bend	trans	-112.4	114.5	142	-75.4	-99.1	0	0	0	103.4	D22 R572	Y20-D22 VanDerWaalsContact C-N 3.32Å; Y20-D22 PolarHBondContact O-N 2.89Å; Y20-R572 PolarHBondContact OH-NH1 3.01Å
21	E	35.1	Very low	44.8	Very low	187 Å²	187	125.3 Å²	125.3	87%	0.874	64%	0.639	S	S	*	*			trans	-59.3	112.9	156	-82.5	-175.6	159	0	0	104.9	D23	E21-D23 PolarHBondContact O-N 2.79Å
22	D	33.8	Very low	47.8	Very low	120 Å²	120	119.3 Å²	119.3	64%	0.642	63%	0.625	S	S	*	*			trans	-59.3	85.4	171.2	-169.4	10.4	0	0	0	107.1	Y20 G24	Y20-D22 VanDerWaalsContact C-N 3.32Å; Y20-D22 PolarHBondContact O-N 2.89Å; D22-G24 PolarHBondContact O-N 2.94Å; D22-G24 PolarHBondContact OD1-N 2.86Å
23	D	38.2	Very low	51	Low	156 Å²	156	111.8 Å²	111.8	83%	0.834	59%	0.585	S	S	*	*			trans	-68.8	64.9	156.1	-83	-26.3	0	0	0	107.7	E21 D25	E21-D23 PolarHBondContact O-N 2.79Å; D23-D25 VanDerWaalsContact C-N 3.28Å; D23-D25 PolarHBondContact O-N 3.38Å
24	G	37	Very low	54.2	Low	71 Å²	71	106.9 Å²	106.9	73%	0.732	56%	0.563	S	S	*	*	S	Bend	trans	50.7	20.5	149.3	0	0	0	0	0	120.5	D22	D22-G24 PolarHBondContact O-N 2.94Å; D22-G24 PolarHBondContact OD1-N 2.86Å
25	D	43.6	Very low	57.3	Low	121 Å²	121	99.9 Å²	99.9	65%	0.647	53%	0.531	S	S	*	.			trans	-152	81.6	168.9	-151.8	6.5	0	0	0	111.3	D23 G27	D23-D25 VanDerWaalsContact C-N 3.28Å; D23-D25 PolarHBondContact O-N 3.38Å; D25-G27 PolarHBondContact O-N 2.91Å; D25-G27 PolarHBondContact OD1-N 2.92Å
26	D	51	Low	60.5	Low	166 Å²	166	97 Å²	97	89%	0.888	51%	0.508	S	S	*	.			trans	-66.6	15.2	162.4	-127.4	0.5	0	0	0	111.8
27	G	55.1	Low	63.7	Low	31 Å²	31	90.6 Å²	90.6	32%	0.32	48%	0.478	S	S	.	.	S	Bend	trans	-76.8	134.3	175.7	0	0	0	0	0	111.4	D25 E29	D25-G27 PolarHBondContact O-N 2.91Å; D25-G27 PolarHBondContact OD1-N 2.92Å; G27-E29 PolarHBondContact O-N 3.3Å
28	N	66.9	Low	66.7	Low	100 Å²	100	84.9 Å²	84.9	54%	0.535	45%	0.448	S	S	.	.			trans	-52.5	108.9	163.1	-74.7	-25.4	0	0	0	108.2	E30	N28-E30 PolarHBondContact O-N 2.98Å
29	E	81.3	Confident	69.9	Low	68 Å²	68	76.7 Å²	76.7	32%	0.318	41%	0.412	S	S	.	.			trans	-68.3	126.5	176.6	-168	-168.8	-173.4	0	0	108.2	G27 S343 H345 Q346	G27-E29 PolarHBondContact O-N 3.3Å; E29-S343 VanDerWaalsContact CD-OG 3.24Å; E29-S343 PolarHBondContact OE1-OG 2.84Å; E29-S343 PolarHBondContact OE2-OG 2.92Å; E29-H345 WeakPolarHBondContact OE2-CB 3.18Å; E29-H345 IonicContact OE2-CG 3.83Å; E29-H345 VanDerWaalsContact OE2-CG 3.29Å; E29-H345 IonicContact OE2-ND1 2.72Å; E29-H345 PolarHBondContact OE2-ND1 3.11Å; E29-Q346 PolarHBondContact O-NE2 2.86Å; E29-Q346 PolarHBondContact OE2-N 3.45Å
30	E	90.7	Very high	72.6	Confident	121 Å²	121	71 Å²	71	57%	0.565	38%	0.383	S	S	*	.			trans	-120.7	134.7	179	-53.7	-172.2	165.9	0	0	109.7	N28 V136 I137 T138	N28-E30 PolarHBondContact O-N 2.98Å; E30-V136 HydrophobicContact CB-CG1 4.01Å; E30-I137 WeakPolarHBondContact CA-O 3.28Å; E30-T138 HydrophobicContact CG-CG2 3.83Å; E30-T138 WeakPolarHBondContact OE1-CG2 3.01Å
31	H	92.9	Very high	75.1	Confident	37 Å²	37	63.7 Å²	63.7	17%	0.171	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149	170.6	69.1	-77.6	0	0	0	110.7	I137 P340 L341 S343 Q346	H31-I137 PolarHBondContact N-O 3.07Å; H31-I137 PolarHBondContact O-N 3.36Å; H31-P340 PolarHBondContact NE2-O 3.25Å; H31-L341 PolarHBondContact CE1-O 2.84Å; H31-L341 PolarHBondContact NE2-O 2.95Å; H31-S343 PolarHBondContact CE1-N 3.4Å; H31-Q346 PolarHBondContact CE1-OE1 3.35Å; H31-Q346 PolarHBondContact ND1-OE1 3.02Å
32	T	93.3	Very high	77.9	Confident	83 Å²	83	54.8 Å²	54.8	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.5	177	-49.1	0	0	0	0	110.3	N339	T32-N339 PolarHBondContact O-ND2 3.36Å; T32-N339 VanDerWaalsContact O-ND2 3.15Å
33	T	93.9	Very high	80.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.4	170.7	-166.5	0	0	0	0	109.3	I135 I137 S338 N339	T33-I135 HydrophobicContact CG2-CG2 3.51Å; T33-I135 PolarHBondContact N-O 2.93Å; T33-I135 WeakPolarHBondContact O-CG2 3.42Å; T33-I135 PolarHBondContact O-N 3.06Å; T33-I135 VanDerWaalsContact O-O 3.05Å; T33-I137 HydrophobicContact CG2-CD1 3.71Å; T33-I137 HydrophobicContact CG2-CG1 3.55Å; T33-S338 PolarHBondContact OG1-OG 2.88Å; T33-N339 PolarHBondContact OG1-N 3.31Å; T33-N339 PolarHBondContact OG1-O 2.87Å
34	D	95	Very high	83	Confident	39 Å²	39	44.5 Å²	44.5	21%	0.209	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.7	175.4	-63.8	-42.3	0	0	0	109.6	I36 Q132 P134 L337 S338	D34-I36 HydrophobicContact CB-CG1 4.4Å; D34-Q132 HydrophobicContact CB-CG 3.85Å; D34-Q132 VanDerWaalsContact CG-NE2 3.31Å; D34-Q132 PolarHBondContact OD2-NE2 3.22Å; D34-P134 WeakPolarHBondContact OD1-CA 3.37Å; D34-P134 WeakPolarHBondContact OD1-CB 3.5Å; D34-L337 WeakPolarHBondContact O-CA 3.5Å; D34-S338 PolarHBondContact N-OG 3.34Å; D34-S338 PolarHBondContact O-N 3.12Å
35	I	94.8	Very high	85.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.8	166.9	-55.9	172.3	0	0	0	107.2	L37 I84 Q132 I133 I135 F145 M335 L337	I35-L37 HydrophobicContact CG2-CD2 4.34Å; I35-L37 HydrophobicContact CG2-CG 4.17Å; I35-I84 HydrophobicContact CD1-CD1 3.97Å; I35-I84 HydrophobicContact CD1-CG2 3.4Å; I35-I84 VanDerWaalsContact CD1-CG2 3.4Å; I35-I84 HydrophobicContact CG2-CD1 4.46Å; I35-Q132 WeakPolarHBondContact O-CA 3.22Å; I35-I133 HydrophobicContact CB-CB 4.46Å; I35-I133 PolarHBondContact N-O 3.36Å; I35-I133 PolarHBondContact O-N 2.65Å; I35-I135 HydrophobicContact CD1-CB 4.45Å; I35-I135 HydrophobicContact CD1-CD1 4.17Å; I35-I135 HydrophobicContact CD1-CG2 3.99Å; I35-I135 HydrophobicContact CG1-CG2 3.92Å; I35-F145 HydrophobicContact CD1-CZ 4.02Å; I35-M335 HydrophobicContact CG2-CG 4.1Å; I35-M335 HydrophobicContact CG2-SD 4.27Å; I35-L337 HydrophobicContact CB-CD2 4.23Å; I35-L337 HydrophobicContact CG1-CD2 3.57Å; I35-L337 HydrophobicContact CG2-CD2 4.49Å
36	I	96.1	Very high	86.9	Confident	27 Å²	27	41.2 Å²	41.2	14%	0.138	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.4	179.3	-59.4	166	0	0	0	107.6	D34 T130 Q132 W297 M335 K336	D34-I36 HydrophobicContact CB-CG1 4.4Å; I36-T130 HydrophobicContact CG2-CG2 3.64Å; I36-Q132 HydrophobicContact CG1-CG 4.28Å; I36-W297 HydrophobicContact CG2-CH2 4.09Å; I36-W297 HydrophobicContact CG2-CZ3 4.49Å; I36-M335 WeakPolarHBondContact O-CA 3.32Å; I36-K336 HydrophobicContact CB-CG 3.92Å; I36-K336 HydrophobicContact CD1-CG 4.37Å; I36-K336 HydrophobicContact CG2-CG 4.43Å; I36-K336 PolarHBondContact N-O 2.88Å; I36-K336 PolarHBondContact O-N 2.92Å
37	L	96.3	Very high	88.1	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.7	175.3	-65	172.6	0	0	0	109.3	I35 F39 Y82 T130 E131 I133 L284 V333 G334 M335	I35-L37 HydrophobicContact CG2-CD2 4.34Å; I35-L37 HydrophobicContact CG2-CG 4.17Å; L37-F39 HydrophobicContact CB-CD2 4.34Å; L37-F39 HydrophobicContact CB-CE2 3.59Å; L37-F39 HydrophobicContact CB-CZ 4.04Å; L37-F39 HydrophobicContact CD1-CE2 4.33Å; L37-F39 HydrophobicContact CD1-CZ 4.1Å; L37-Y82 HydrophobicContact CD1-CD2 4.06Å; L37-Y82 HydrophobicContact CD1-CE2 3.37Å; L37-T130 CarbonylContact O-C 3.45Å; L37-T130 VanDerWaalsContact O-CA 3.26Å; L37-T130 WeakPolarHBondContact O-CA 3.47Å; L37-E131 PolarHBondContact N-O 3.04Å; L37-E131 PolarHBondContact O-N 3.13Å; L37-I133 HydrophobicContact CD1-CD1 4.31Å; L37-L284 HydrophobicContact CD2-CD1 4.07Å; L37-V333 HydrophobicContact CD2-CG1 4.41Å; L37-G334 CarbonylContact C-O 3.44Å; L37-G334 WeakPolarHBondContact CA-O 3.22Å; L37-M335 HydrophobicContact CD2-CB 3.68Å; L37-M335 HydrophobicContact CD2-CG 3.69Å; L37-M335 HydrophobicContact CD2-SD 4.21Å
38	T	96.4	Very high	88.9	Confident	6 Å²	6	35 Å²	35	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116	172.4	-64.3	0	0	0	0	109.1	V128 W129 T130 T201 L205 W297 V333 G334	T38-V128 HydrophobicContact CG2-CG1 4.02Å; T38-W129 WeakPolarHBondContact CA-O 3.24Å; T38-T130 PolarHBondContact OG1-OG1 2.81Å; T38-T130 VanDerWaalsContact OG1-OG1 3.09Å; T38-T201 HydrophobicContact CG2-CG2 3.92Å; T38-L205 HydrophobicContact CG2-CD1 3.99Å; T38-W297 WeakPolarHBondContact OG1-CH2 3.37Å; T38-V333 WeakPolarHBondContact O-CA 3.08Å; T38-G334 PolarHBondContact N-O 3.22Å; T38-G334 PolarHBondContact O-N 2.92Å
39	F	96.4	Very high	88.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.2	178.8	-61.7	-95.9	0	0	0	109.7	L37 L80 Y82 V128 W129 E131 I156 V333	L37-F39 HydrophobicContact CB-CD2 4.34Å; L37-F39 HydrophobicContact CB-CE2 3.59Å; L37-F39 HydrophobicContact CB-CZ 4.04Å; L37-F39 HydrophobicContact CD1-CE2 4.33Å; L37-F39 HydrophobicContact CD1-CZ 4.1Å; F39-L80 HydrophobicContact CD1-CD2 3.83Å; F39-L80 HydrophobicContact CE1-CD2 4.03Å; F39-Y82 HydrophobicContact CE1-CD1 4.48Å; F39-Y82 HydrophobicContact CE1-CE1 4.22Å; F39-Y82 HydrophobicContact CE2-CE1 4.42Å; F39-Y82 HydrophobicContact CZ-CD1 4.16Å; F39-Y82 AromaticContact CZ-CE1 3.55Å; F39-Y82 HydrophobicContact CZ-CE1 3.55Å; F39-Y82 AromaticContact CZ-CZ 3.88Å; F39-V128 VanDerWaalsContact O-CA 3.31Å; F39-V128 WeakPolarHBondContact O-CA 3.45Å; F39-W129 HydrophobicContact CB-CD2 3.69Å; F39-W129 VanDerWaalsContact CB-CE2 3.42Å; F39-W129 HydrophobicContact CB-CE3 3.83Å; F39-W129 HydrophobicContact CB-CG 4.45Å; F39-W129 HydrophobicContact CB-CH2 3.47Å; F39-W129 VanDerWaalsContact CB-CH2 3.47Å; F39-W129 HydrophobicContact CB-CZ2 3.32Å; F39-W129 HydrophobicContact CB-CZ3 3.73Å; F39-W129 HydrophobicContact CD1-CH2 4.43Å; F39-W129 AromaticContact CD1-CZ2 3.93Å; F39-W129 HydrophobicContact CD1-CZ2 3.93Å; F39-W129 HydrophobicContact CD2-CD2 4.43Å; F39-W129 AromaticContact CD2-CE2 3.68Å; F39-W129 AromaticContact CD2-CZ2 3.96Å; F39-W129 HydrophobicContact CD2-CZ2 3.96Å; F39-W129 AromaticContact CD2-NE1 3.42Å; F39-W129 HydrophobicContact CG-CD2 4.35Å; F39-W129 AromaticContact CG-CE2 3.63Å; F39-W129 HydrophobicContact CG-CH2 4.07Å; F39-W129 AromaticContact CG-CZ2 3.48Å; F39-W129 HydrophobicContact CG-CZ2 3.48Å; F39-W129 VanDerWaalsContact CG-CZ2 3.48Å; F39-W129 AromaticContact CG-NE1 3.89Å; F39-W129 PolarHBondContact N-O 3.34Å; F39-W129 PolarHBondContact O-N 3.04Å; F39-E131 HydrophobicContact CD2-CG 4.43Å; F39-E131 HydrophobicContact CE2-CB 4.32Å; F39-E131 HydrophobicContact CE2-CG 4.06Å; F39-I156 HydrophobicContact CE1-CD1 4.21Å; F39-I156 HydrophobicContact CE1-CG2 4.29Å; F39-V333 HydrophobicContact CD1-CB 4.41Å; F39-V333 HydrophobicContact CD1-CG1 4.07Å; F39-V333 HydrophobicContact CD1-CG2 3.45Å; F39-V333 VanDerWaalsContact CD1-CG2 3.45Å; F39-V333 HydrophobicContact CE1-CG1 4.01Å; F39-V333 HydrophobicContact CE1-CG2 3.84Å; F39-V333 HydrophobicContact CG-CG2 4.31Å; F39-V333 HydrophobicContact CZ-CG1 4.43Å
40	V	95.4	Very high	87.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.7	175.5	175.5	0	0	0	0	107.2	W126 V128 I202 L205 I331 L332	V40-W126 HydrophobicContact CG1-CE3 3.52Å; V40-W126 HydrophobicContact CG1-CZ3 3.63Å; V40-V128 HydrophobicContact CB-CG2 4.39Å; V40-V128 HydrophobicContact CG1-CG2 4.23Å; V40-V128 HydrophobicContact CG2-CG1 4.24Å; V40-V128 HydrophobicContact CG2-CG2 3.97Å; V40-I202 HydrophobicContact CG1-CD1 3.94Å; V40-I202 HydrophobicContact CG1-CG1 3.69Å; V40-I202 HydrophobicContact CG2-CG1 4.14Å; V40-L205 HydrophobicContact CG2-CD1 3.87Å; V40-I331 WeakPolarHBondContact O-CA 3.4Å; V40-L332 HydrophobicContact CB-CB 4.09Å; V40-L332 HydrophobicContact CB-CD2 4.31Å; V40-L332 HydrophobicContact CG2-CD2 4.23Å; V40-L332 PolarHBondContact N-O 3.37Å; V40-L332 PolarHBondContact O-N 3.13Å
41	L	95	Very high	84.7	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127	179.4	175.3	63.3	0	0	0	109.6	F78 V96 W126 I127 W129 F328 I331	L41-F78 HydrophobicContact CD2-CD2 3.6Å; L41-F78 HydrophobicContact CD2-CE2 3.89Å; L41-F78 HydrophobicContact CD2-CG 3.98Å; L41-F78 HydrophobicContact CD2-CZ 4.49Å; L41-V96 HydrophobicContact CD2-CG1 4.2Å; L41-W126 CarbonylContact O-C 3.6Å; L41-W126 WeakPolarHBondContact O-CA 3.24Å; L41-I127 HydrophobicContact CB-CB 4.38Å; L41-I127 HydrophobicContact CD2-CD1 4.29Å; L41-I127 HydrophobicContact CG-CD1 4.37Å; L41-I127 PolarHBondContact N-O 3.21Å; L41-I127 PolarHBondContact O-N 3.42Å; L41-W129 HydrophobicContact CB-CZ3 4.02Å; L41-F328 HydrophobicContact CD1-CD1 3.28Å; L41-F328 HydrophobicContact CD1-CE1 3.49Å; L41-F328 VanDerWaalsContact CD1-CE1 3.49Å; L41-I331 HydrophobicContact CD1-CD1 4.48Å
42	A	93.1	Very high	82	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.4	176.3	0	0	0	0	0	110.3	T124 W126 K329 D330	A42-T124 HydrophobicContact CB-CG2 3.68Å; A42-W126 HydrophobicContact CB-CD2 3.98Å; A42-W126 HydrophobicContact CB-CE3 3.52Å; A42-W126 HydrophobicContact CB-CH2 3.61Å; A42-W126 HydrophobicContact CB-CZ2 4.04Å; A42-W126 HydrophobicContact CB-CZ3 3.34Å; A42-K329 HydrophobicContact CB-CB 4.4Å; A42-K329 WeakPolarHBondContact O-CB 3.5Å; A42-K329 PolarHBondContact O-N 3.2Å; A42-D330 HydrophobicContact CB-CB 3.8Å; A42-D330 WeakPolarHBondContact CB-O 3.48Å; A42-D330 PolarHBondContact N-O 3.23Å; A42-D330 PolarHBondContact O-N 2.7Å
43	V	91.9	Very high	79	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.7	-179.8	-93.7	0	0	0	0	110.6	S45 M76 F78 L125 I127 N327	V43-S45 PolarHBondContact O-N 3.03Å; V43-M76 HydrophobicContact CB-CE 4.24Å; V43-M76 HydrophobicContact CB-SD 4.07Å; V43-M76 HydrophobicContact CG1-CE 3.65Å; V43-M76 HydrophobicContact CG1-SD 3.82Å; V43-F78 HydrophobicContact CG1-CE1 4.28Å; V43-F78 HydrophobicContact CG1-CE2 3.78Å; V43-F78 HydrophobicContact CG1-CZ 3.29Å; V43-L125 HydrophobicContact CG2-CB 4.06Å; V43-L125 HydrophobicContact CG2-CD2 4.24Å; V43-L125 HydrophobicContact CG2-CG 4.41Å; V43-L125 VanDerWaalsContact CG2-O 3.29Å; V43-L125 WeakPolarHBondContact CG2-O 3.5Å; V43-L125 PolarHBondContact N-O 3.07Å; V43-L125 PolarHBondContact O-N 2.83Å; V43-I127 HydrophobicContact CG2-CD1 3.45Å; V43-I127 VanDerWaalsContact CG2-CD1 3.45Å; V43-N327 WeakPolarHBondContact CG1-O 3.39Å
44	D	87.6	Confident	76	Confident	60 Å²	60	54.5 Å²	54.5	32%	0.321	28%	0.281	S	S	.	.			trans	-70.1	121	172.4	-175.2	-3.7	0	0	0	110.3	E46 T47	D44-E46 PolarHBondContact O-N 2.86Å; D44-E46 PolarHBondContact OD1-N 3.01Å; D44-T47 HydrophobicContact CB-CG2 3.88Å; D44-T47 PolarHBondContact O-N 2.99Å; D44-T47 PolarHBondContact O-OG1 3.26Å
45	S	81.4	Confident	73.1	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.042	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.9	-176	81	0	0	0	0	112.8	V43 K101 E120	V43-S45 PolarHBondContact O-N 3.03Å; S45-K101 WeakPolarHBondContact O-CE 3.43Å; S45-K101 PolarHBondContact OG-NZ 3.14Å; S45-E120 WeakPolarHBondContact CB-OE1 3.47Å; S45-E120 PolarHBondContact OG-OE1 3.47Å
46	E	79.8	Confident	70.1	Confident	116 Å²	116	64.2 Å²	64.2	54%	0.542	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-29.7	177.7	-64.3	-156.8	160.2	0	0	112.5	D44 L48 L49	D44-E46 PolarHBondContact O-N 2.86Å; D44-E46 PolarHBondContact OD1-N 3.01Å; E46-L48 PolarHBondContact O-N 3.43Å; E46-L49 PolarHBondContact O-N 3.39Å
47	T	76.9	Confident	67.1	Low	56 Å²	56	74 Å²	74	34%	0.344	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.3	-178.2	61	0	0	0	0	113.6	D44 L49 M76	D44-T47 HydrophobicContact CB-CG2 3.88Å; D44-T47 PolarHBondContact O-N 2.99Å; D44-T47 PolarHBondContact O-OG1 3.26Å; T47-L49 VanDerWaalsContact C-N 3.29Å; T47-M76 VanDerWaalsContact OG1-CE 3.29Å; T47-M76 WeakPolarHBondContact OG1-CE 3.45Å; T47-M76 PolarHBondContact OG1-SD 3.32Å; T47-M76 VanDerWaalsContact OG1-SD 3.42Å
48	L	72.3	Confident	64.2	Low	12 Å²	12	79.7 Å²	79.7	6%	0.063	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.9	173.6	-66.6	171.5	0	0	0	113.2	E46 N74 M76 V98 K101 L125	E46-L48 PolarHBondContact O-N 3.43Å; L48-N74 WeakPolarHBondContact CD2-O 3.32Å; L48-M76 HydrophobicContact CD2-CG 3.7Å; L48-M76 HydrophobicContact CD2-SD 3.77Å; L48-M76 HydrophobicContact CG-SD 4.04Å; L48-V98 HydrophobicContact CD1-CG1 3.9Å; L48-V98 HydrophobicContact CD2-CG1 4.07Å; L48-K101 HydrophobicContact CD1-CG 4.33Å; L48-L125 HydrophobicContact CD1-CD2 3.6Å
49	L	60	Low	61.2	Low	110 Å²	110	89.4 Å²	89.4	58%	0.576	46%	0.459	S	S	*	.	S	Bend	trans	-106.7	108.6	-177.5	-65	171.3	0	0	0	109.7	E46 T47 R51	E46-L49 PolarHBondContact O-N 3.39Å; T47-L49 VanDerWaalsContact C-N 3.29Å; L49-R51 PolarHBondContact O-N 2.83Å
50	N	52.6	Low	58.3	Low	85 Å²	85	95 Å²	95	46%	0.455	50%	0.498	S	S	.	.			trans	-61.8	105.5	171.9	-101.5	-29	0	0	0	110.1	E52 H72 N74	N50-E52 VanDerWaalsContact C-N 3.31Å; N50-E52 PolarHBondContact O-N 3.12Å; N50-H72 PolarHBondContact ND2-O 3.07Å; N50-N74 PolarHBondContact OD1-ND2 3.48Å
51	R	37.5	Very low	55.5	Low	216 Å²	216	101 Å²	101	82%	0.815	54%	0.535	S	S	*	.			trans	-79.4	84.1	155.5	-80.2	-172.2	176.3	167	6.3	107.6	L49 S53	L49-R51 PolarHBondContact O-N 2.83Å; R51-S53 PolarHBondContact O-N 2.85Å; R51-S53 VanDerWaalsContact O-N 3.08Å
52	E	36.2	Very low	52.6	Low	168 Å²	168	108.1 Å²	108.1	79%	0.785	57%	0.573	S	S	*	*			trans	-61.3	113.7	158.2	-85.1	-173.6	163.8	0	0	107.4	N50 T54	N50-E52 VanDerWaalsContact C-N 3.31Å; N50-E52 PolarHBondContact O-N 3.12Å; E52-T54 PolarHBondContact O-N 3.4Å; E52-T54 VanDerWaalsContact O-N 3.08Å
53	S	30.8	Very low	49.8	Very low	96 Å²	96	113.5 Å²	113.5	67%	0.671	61%	0.61	S	S	*	*			trans	-60.2	113.3	167.1	55.9	0	0	0	0	107.6	R51 I55	R51-S53 PolarHBondContact O-N 2.85Å; R51-S53 VanDerWaalsContact O-N 3.08Å; S53-I55 PolarHBondContact O-N 2.94Å
54	T	31.4	Very low	46.9	Very low	143 Å²	143	119.8 Å²	119.8	88%	0.877	65%	0.654	S	S	*	*			trans	-64.7	84.8	174	37.4	0	0	0	0	109.7	E52 A56	E52-T54 PolarHBondContact O-N 3.4Å; E52-T54 VanDerWaalsContact O-N 3.08Å; T54-A56 PolarHBondContact O-N 3.08Å; T54-A56 VanDerWaalsContact O-N 3.14Å
55	I	33.5	Very low	44.3	Very low	145 Å²	145	121.8 Å²	121.8	74%	0.744	67%	0.673	S	S	*	*			trans	-72	104	160.3	-62.2	175.7	0	0	0	105.8	S53 R57	S53-I55 PolarHBondContact O-N 2.94Å; I55-R57 PolarHBondContact O-N 2.85Å
56	A	31.5	Very low	41.8	Very low	99 Å²	99	127.4 Å²	127.4	82%	0.818	71%	0.712	S	S	*	*			trans	-56.2	103.1	173	0	0	0	0	0	110	T54	T54-A56 PolarHBondContact O-N 3.08Å; T54-A56 VanDerWaalsContact O-N 3.14Å
57	R	32.6	Very low	39.4	Very low	233 Å²	233	125 Å²	125	88%	0.879	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-97.6	137.9	162.7	-118.2	-179.5	172.5	165.9	-1.5	108.8	I55	I55-R57 PolarHBondContact O-N 2.85Å
58	P	35.8	Very low	37.1	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-72.8	144	-169.7	30	-32.1	0	0	0	111.2	S60	P58-S60 PolarHBondContact O-N 3.08Å
59	K	33.1	Very low	35.2	Very low	209 Å²	209	134.8 Å²	134.8	91%	0.909	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-53.7	123.1	-177.2	-64.9	172.9	177.1	175.4	0	111.8
60	S	35.4	Very low	33.8	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	79%	0.787	S	S	*	*			trans	-104	131.9	154.9	64.2	0	0	0	0	109.5	P58	P58-S60 PolarHBondContact O-N 3.08Å
61	V	37.5	Very low	33.1	Very low	126 Å²	126	134.8 Å²	134.8	76%	0.764	79%	0.79	S	S	*	*			trans	-78.3	145.9	-177.1	-166.8	0	0	0	0	109.5
62	N	33.4	Very low	33.5	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	79%	0.787	S	S	*	*			trans	94.6	86.8	171.7	-55.9	-24.1	0	0	0	117.5
63	S	34.6	Very low	34.5	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	77%	0.774	S	S	*	*				-178.2	113.6	121.8	55.6	0	0	0	0	109.7	S65	S63-S65 PolarHBondContact O-N 3.38Å
64	S	30.2	Very low	36.7	Very low	132 Å²	132	128 Å²	128	92%	0.923	76%	0.762	S	S	*	*			trans	-76.7	99.8	170.2	48.7	0	0	0	0	110.1
65	S	34.4	Very low	39.4	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	73%	0.73	S	S	*	*			trans	-139.7	116.9	154.9	61	0	0	0	0	108.1	S63 G67	S63-S65 PolarHBondContact O-N 3.38Å; S65-G67 VanDerWaalsContact C-N 3.29Å; S65-G67 PolarHBondContact O-N 3.05Å
66	S	29.2	Very low	42.1	Very low	125 Å²	125	116.9 Å²	116.9	87%	0.874	70%	0.697	S	S	*	*			trans	-61.6	84.3	173.3	50.2	0	0	0	0	110.6
67	G	29.2	Very low	45	Very low	65 Å²	65	113 Å²	113	67%	0.67	66%	0.661	S	S	*	*			trans	-84.7	113.1	164.2	0	0	0	0	0	108.5	S65 S69	S65-G67 VanDerWaalsContact C-N 3.29Å; S65-G67 PolarHBondContact O-N 3.05Å; G67-S69 PolarHBondContact O-N 3.36Å; G67-S69 VanDerWaalsContact O-N 3.16Å
68	L	29.1	Very low	48	Very low	156 Å²	156	101.9 Å²	101.9	82%	0.817	62%	0.619	S	S	*	*			trans	-51.8	123.3	158.7	-81.9	88.8	0	0	0	106.6	N70	L68-N70 PolarHBondContact O-N 3.3Å
69	S	30.9	Very low	50.9	Low	118 Å²	118	97.2 Å²	97.2	83%	0.825	59%	0.586	S	S	*	*			trans	-62.1	91.9	169.6	58.1	0	0	0	0	107.8	G67 G71	G67-S69 PolarHBondContact O-N 3.36Å; G67-S69 VanDerWaalsContact O-N 3.16Å; S69-G71 PolarHBondContact O-N 3.34Å
70	N	32	Very low	53.9	Low	144 Å²	144	87.2 Å²	87.2	77%	0.77	54%	0.543	S	S	*	.			trans	-66.1	88.4	162.3	-86.3	-5	0	0	0	106	L68 H72	L68-N70 PolarHBondContact O-N 3.3Å; N70-H72 PolarHBondContact O-N 3.11Å
71	G	37.7	Very low	56.7	Low	51 Å²	51	83.9 Å²	83.9	53%	0.526	51%	0.514	S	S	.	.			trans	-51.4	118.3	161.4	0	0	0	0	0	106.5	S69 N73	S69-G71 PolarHBondContact O-N 3.34Å; G71-N73 VanDerWaalsContact C-N 3.34Å; G71-N73 PolarHBondContact O-N 3.15Å; G71-N73 PolarHBondContact O-OD1 3.3Å
72	H	45.8	Very low	59.3	Low	161 Å²	161	78 Å²	78	75%	0.745	48%	0.479	S	S	*	.			trans	-62.3	103.3	171.4	-89.4	-78.5	0	0	0	106.6	N50 N70 N74	N50-H72 PolarHBondContact ND2-O 3.07Å; N70-H72 PolarHBondContact O-N 3.11Å; H72-N74 PolarHBondContact O-N 3.37Å
73	N	56.3	Low	62	Low	99 Å²	99	72.5 Å²	72.5	53%	0.529	45%	0.452	S	S	.	.			trans	-61.9	117.9	173	-73.2	-1.4	0	0	0	107.8	G71 F75	G71-N73 VanDerWaalsContact C-N 3.34Å; G71-N73 PolarHBondContact O-N 3.15Å; G71-N73 PolarHBondContact O-OD1 3.3Å; N73-F75 HydrophobicContact CB-CD1 3.84Å; N73-F75 HydrophobicContact CB-CE1 3.38Å; N73-F75 HydrophobicContact CB-CZ 4.18Å; N73-F75 PolarHBondContact O-N 2.93Å
74	N	77.4	Confident	64.4	Low	78 Å²	78	67.2 Å²	67.2	42%	0.417	42%	0.415	S	S	.	.			trans	-74.4	92.5	171.1	-84.5	-9.5	0	0	0	108	L48 N50 H72	L48-N74 WeakPolarHBondContact CD2-O 3.32Å; N50-N74 PolarHBondContact OD1-ND2 3.48Å; H72-N74 PolarHBondContact O-N 3.37Å
75	F	87.8	Confident	66.7	Low	44 Å²	44	61 Å²	61	19%	0.193	37%	0.371	C	S	.	.			trans	-68.1	136.5	172.6	-56.6	-28.4	0	0	0	109.9	N73 Y77 V97 V98 F99 R173 P174	N73-F75 HydrophobicContact CB-CD1 3.84Å; N73-F75 HydrophobicContact CB-CE1 3.38Å; N73-F75 HydrophobicContact CB-CZ 4.18Å; N73-F75 PolarHBondContact O-N 2.93Å; F75-Y77 HydrophobicContact CB-CD2 4.45Å; F75-Y77 HydrophobicContact CB-CE2 3.71Å; F75-Y77 WeakPolarHBondContact O-CD2 3.48Å; F75-V97 HydrophobicContact CB-CG1 4.42Å; F75-V98 WeakPolarHBondContact CA-O 3.36Å; F75-F99 HydrophobicContact CD1-CB 4.29Å; F75-F99 AromaticContact CD1-CD1 3.93Å; F75-F99 HydrophobicContact CD1-CD1 3.93Å; F75-F99 WeakPolarHBondContact CD1-O 3.47Å; F75-F99 AromaticContact CD2-CD1 3.88Å; F75-F99 HydrophobicContact CD2-CD1 3.88Å; F75-F99 HydrophobicContact CD2-CE1 4.17Å; F75-F99 HydrophobicContact CE1-CB 4.17Å; F75-F99 AromaticContact CE1-CD1 3.9Å; F75-F99 HydrophobicContact CE1-CD1 3.9Å; F75-F99 WeakPolarHBondContact CE1-O 3.46Å; F75-F99 AromaticContact CE2-CD1 3.87Å; F75-F99 HydrophobicContact CE2-CD1 3.87Å; F75-F99 HydrophobicContact CE2-CE1 4.22Å; F75-F99 AromaticContact CG-CD1 3.92Å; F75-F99 HydrophobicContact CG-CD1 3.92Å; F75-F99 AromaticContact CZ-CD1 3.89Å; F75-F99 HydrophobicContact CZ-CD1 3.89Å; F75-R173 VanDerWaalsContact CE2-NH1 3.28Å; F75-P174 HydrophobicContact CZ-CG 4.43Å
76	M	90	Very high	68.3	Low	10 Å²	10	61.3 Å²	61.3	5%	0.049	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.7	174.6	-53.9	175.7	87.4	0	0	108.9	V43 T47 L48 F78 V97 V98 N327	V43-M76 HydrophobicContact CB-CE 4.24Å; V43-M76 HydrophobicContact CB-SD 4.07Å; V43-M76 HydrophobicContact CG1-CE 3.65Å; V43-M76 HydrophobicContact CG1-SD 3.82Å; T47-M76 VanDerWaalsContact OG1-CE 3.29Å; T47-M76 WeakPolarHBondContact OG1-CE 3.45Å; T47-M76 PolarHBondContact OG1-SD 3.32Å; T47-M76 VanDerWaalsContact OG1-SD 3.42Å; L48-M76 HydrophobicContact CD2-CG 3.7Å; L48-M76 HydrophobicContact CD2-SD 3.77Å; L48-M76 HydrophobicContact CG-SD 4.04Å; M76-F78 HydrophobicContact CB-CE2 3.67Å; M76-F78 HydrophobicContact CB-CZ 3.93Å; M76-F78 HydrophobicContact CE-CZ 4.14Å; M76-V97 WeakPolarHBondContact O-CA 3.38Å; M76-V98 HydrophobicContact CB-CB 4.24Å; M76-V98 PolarHBondContact N-O 3.5Å; M76-V98 PolarHBondContact O-N 3.32Å; M76-N327 HydrophobicContact CE-CB 3.63Å
77	Y	93.3	Very high	70.2	Confident	17 Å²	17	59.1 Å²	59.1	7%	0.067	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.7	-176.3	-67.7	-92.4	0	0	0	108.7	F75 V97 D160 R162	F75-Y77 HydrophobicContact CB-CD2 4.45Å; F75-Y77 HydrophobicContact CB-CE2 3.71Å; F75-Y77 WeakPolarHBondContact O-CD2 3.48Å; Y77-V97 HydrophobicContact CD1-CG1 4.13Å; Y77-V97 HydrophobicContact CD1-CG2 3.7Å; Y77-V97 HydrophobicContact CE1-CG1 3.84Å; Y77-V97 HydrophobicContact CE1-CG2 3.85Å; Y77-D160 CarbonylContact O-C 3.59Å; Y77-D160 VanDerWaalsContact O-CA 3.28Å; Y77-D160 WeakPolarHBondContact O-CA 3.31Å; Y77-D160 VanDerWaalsContact O-O 3.1Å; Y77-R162 HydrophobicContact CD1-CG 4.05Å; Y77-R162 HydrophobicContact CD2-CB 3.82Å; Y77-R162 HydrophobicContact CD2-CG 3.82Å; Y77-R162 HydrophobicContact CE1-CG 4.22Å; Y77-R162 HydrophobicContact CE2-CB 4.4Å; Y77-R162 HydrophobicContact CE2-CG 3.96Å; Y77-R162 HydrophobicContact CG-CB 3.9Å; Y77-R162 HydrophobicContact CG-CG 3.86Å
78	F	95.2	Very high	72.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.4	176.4	-54.2	-80.3	0	0	0	109.6	L41 V43 M76 D95 V96 V98 W159 D160 C165 N327 F328	L41-F78 HydrophobicContact CD2-CD2 3.6Å; L41-F78 HydrophobicContact CD2-CE2 3.89Å; L41-F78 HydrophobicContact CD2-CG 3.98Å; L41-F78 HydrophobicContact CD2-CZ 4.49Å; V43-F78 HydrophobicContact CG1-CE1 4.28Å; V43-F78 HydrophobicContact CG1-CE2 3.78Å; V43-F78 HydrophobicContact CG1-CZ 3.29Å; M76-F78 HydrophobicContact CB-CE2 3.67Å; M76-F78 HydrophobicContact CB-CZ 3.93Å; M76-F78 HydrophobicContact CE-CZ 4.14Å; F78-D95 CarbonylContact O-C 3.56Å; F78-D95 VanDerWaalsContact O-CA 3.29Å; F78-D95 WeakPolarHBondContact O-CA 3.46Å; F78-V96 HydrophobicContact CB-CB 4.23Å; F78-V96 HydrophobicContact CD2-CB 4.46Å; F78-V96 PolarHBondContact N-O 3.35Å; F78-V96 PolarHBondContact O-N 2.69Å; F78-V98 HydrophobicContact CE2-CG2 4.07Å; F78-W159 CarbonylContact C-O 3.51Å; F78-W159 VanDerWaalsContact CA-O 3.25Å; F78-W159 WeakPolarHBondContact CA-O 3.43Å; F78-D160 HydrophobicContact CD1-CB 3.78Å; F78-D160 HydrophobicContact CE1-CB 3.8Å; F78-C165 PolarHBondContact O-SG 3.49Å; F78-C165 VanDerWaalsContact O-SG 3.42Å; F78-N327 HydrophobicContact CE1-CB 3.69Å; F78-N327 HydrophobicContact CZ-CB 3.94Å; F78-F328 HydrophobicContact CB-CE1 4.33Å; F78-F328 HydrophobicContact CB-CZ 4.23Å; F78-F328 AromaticContact CD1-CD1 3.94Å; F78-F328 HydrophobicContact CD1-CD1 3.94Å; F78-F328 HydrophobicContact CD1-CD2 4.44Å; F78-F328 AromaticContact CD1-CE1 3.33Å; F78-F328 HydrophobicContact CD1-CE1 3.33Å; F78-F328 AromaticContact CD1-CE2 3.94Å; F78-F328 HydrophobicContact CD1-CE2 3.94Å; F78-F328 HydrophobicContact CD1-CG 4.45Å; F78-F328 AromaticContact CD1-CZ 3.34Å; F78-F328 HydrophobicContact CD1-CZ 3.34Å; F78-F328 AromaticContact CE1-CD1 3.99Å; F78-F328 HydrophobicContact CE1-CD1 3.99Å; F78-F328 HydrophobicContact CE1-CD2 4.47Å; F78-F328 AromaticContact CE1-CE1 3.87Å; F78-F328 HydrophobicContact CE1-CE1 3.87Å; F78-F328 HydrophobicContact CE1-CE2 4.39Å; F78-F328 HydrophobicContact CE1-CG 4.28Å; F78-F328 HydrophobicContact CE1-CZ 4.1Å; F78-F328 HydrophobicContact CG-CE1 4.06Å; F78-F328 HydrophobicContact CG-CZ 4.19Å
79	H	96	Very high	74.2	Confident	23 Å²	23	62.8 Å²	62.8	11%	0.106	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.1	173.2	179.8	69	0	0	0	108.1	D95 C158 W159 K164	H79-D95 IonicContact CE1-OD1 2.8Å; H79-D95 IonicContact CG-OD1 3.26Å; H79-D95 IonicContact ND1-OD1 3.89Å; H79-D95 PolarHBondContact ND1-OD1 2.94Å; H79-C158 WeakPolarHBondContact O-CA 3.49Å; H79-W159 HydrophobicContact CB-CB 4.41Å; H79-W159 AromaticContact CD2-CE3 3.5Å; H79-W159 AromaticContact CD2-CZ3 3.7Å; H79-W159 PolarHBondContact N-O 3.01Å; H79-W159 PolarHBondContact O-N 3.4Å; H79-K164 HydrophobicContact CB-CB 3.93Å
80	L	96	Very high	76.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.6	172	-59.6	96.1	0	0	0	108.9	F39 S93 T94 V96 W129 I156 K157 I331	F39-L80 HydrophobicContact CD1-CD2 3.83Å; F39-L80 HydrophobicContact CE1-CD2 4.03Å; L80-S93 CarbonylContact O-C 3.52Å; L80-S93 WeakPolarHBondContact O-CA 3.33Å; L80-S93 WeakPolarHBondContact O-CB 3.33Å; L80-T94 PolarHBondContact N-O 3.38Å; L80-T94 PolarHBondContact O-N 2.81Å; L80-V96 HydrophobicContact CD1-CG2 4.07Å; L80-W129 HydrophobicContact CD1-CH2 4Å; L80-W129 HydrophobicContact CD1-CZ2 4.04Å; L80-I156 HydrophobicContact CD2-CG2 4.16Å; L80-K157 CarbonylContact C-O 3.56Å; L80-K157 VanDerWaalsContact CA-O 3.31Å; L80-K157 WeakPolarHBondContact CA-O 3.35Å; L80-I331 HydrophobicContact CD2-CD1 3.73Å
81	E	94.6	Very high	79.1	Confident	48 Å²	48	56.7 Å²	56.7	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	175	-171	-169.3	-175.8	0	0	108.7	L91 F92 I156 K157 W159	E81-L91 HydrophobicContact CG-CD1 3.9Å; E81-L91 HydrophobicContact CG-CG 4.48Å; E81-L91 WeakPolarHBondContact OE1-CD1 3.49Å; E81-F92 WeakPolarHBondContact CA-O 3.42Å; E81-I156 CarbonylContact O-C 3.51Å; E81-K157 PolarHBondContact N-O 3.23Å; E81-K157 PolarHBondContact O-N 2.91Å; E81-W159 HydrophobicContact CB-CH2 4.29Å; E81-W159 HydrophobicContact CB-CZ3 3.73Å; E81-W159 WeakPolarHBondContact OE2-CH2 3.24Å
82	Y	93.1	Very high	81.7	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	149.7	177.2	58.6	-86.4	0	0	0	111.1	L37 F39 I84 F92 E131 I133 R155 I156	L37-Y82 HydrophobicContact CD1-CD2 4.06Å; L37-Y82 HydrophobicContact CD1-CE2 3.37Å; F39-Y82 HydrophobicContact CE1-CD1 4.48Å; F39-Y82 HydrophobicContact CE1-CE1 4.22Å; F39-Y82 HydrophobicContact CE2-CE1 4.42Å; F39-Y82 HydrophobicContact CZ-CD1 4.16Å; F39-Y82 AromaticContact CZ-CE1 3.55Å; F39-Y82 HydrophobicContact CZ-CE1 3.55Å; F39-Y82 AromaticContact CZ-CZ 3.88Å; Y82-I84 HydrophobicContact CD2-CG1 4.21Å; Y82-I84 HydrophobicContact CE2-CD1 4.34Å; Y82-I84 HydrophobicContact CE2-CG1 4.33Å; Y82-F92 HydrophobicContact CD1-CB 4.45Å; Y82-F92 HydrophobicContact CD2-CB 4.02Å; Y82-F92 HydrophobicContact CD2-CD2 4.27Å; Y82-F92 HydrophobicContact CE1-CB 4.01Å; Y82-F92 HydrophobicContact CE2-CB 3.52Å; Y82-F92 AromaticContact CE2-CD2 3.88Å; Y82-F92 HydrophobicContact CE2-CD2 3.88Å; Y82-F92 AromaticContact CE2-CG 3.88Å; Y82-F92 HydrophobicContact CE2-CG 3.88Å; Y82-F92 HydrophobicContact CG-CB 4.46Å; Y82-F92 PolarHBondContact N-O 3.41Å; Y82-F92 PolarHBondContact O-N 2.82Å; Y82-F92 VanDerWaalsContact O-O 3.11Å; Y82-E131 PolarHBondContact OH-OE2 3.28Å; Y82-I133 HydrophobicContact CE2-CD1 4.14Å; Y82-R155 WeakPolarHBondContact CA-O 3.2Å; Y82-R155 WeakPolarHBondContact CB-O 2.9Å; Y82-I156 HydrophobicContact CD1-CG2 4.34Å; Y82-I156 HydrophobicContact CG-CG1 4.42Å
83	S	89.6	Confident	84	Confident	35 Å²	35	50.5 Å²	50.5	25%	0.245	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.2	175.9	-166.6	0	0	0	0	109.6	M85 F90	S83-M85 VanDerWaalsContact C-N 3.32Å; S83-M85 PolarHBondContact OG-O 2.68Å; S83-F90 VanDerWaalsContact CA-O 3.3Å; S83-F90 WeakPolarHBondContact CA-O 2.86Å; S83-F90 PolarHBondContact OG-O 2.85Å
84	I	85	Confident	85.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-80	-22.3	-177.6	-64.8	179.7	0	0	0	110.9	I35 Y82 F90 F92 I133 F145 L148 I154	I35-I84 HydrophobicContact CD1-CD1 3.97Å; I35-I84 HydrophobicContact CD1-CG2 3.4Å; I35-I84 VanDerWaalsContact CD1-CG2 3.4Å; I35-I84 HydrophobicContact CG2-CD1 4.46Å; Y82-I84 HydrophobicContact CD2-CG1 4.21Å; Y82-I84 HydrophobicContact CE2-CD1 4.34Å; Y82-I84 HydrophobicContact CE2-CG1 4.33Å; I84-F90 HydrophobicContact CB-CB 4.49Å; I84-F90 PolarHBondContact N-O 3.21Å; I84-F92 HydrophobicContact CB-CE2 4.48Å; I84-F92 HydrophobicContact CD1-CD2 4.02Å; I84-F92 HydrophobicContact CD1-CE2 3.69Å; I84-F92 HydrophobicContact CD1-CZ 4.48Å; I84-F92 HydrophobicContact CG1-CD2 4.15Å; I84-F92 HydrophobicContact CG1-CE2 4.06Å; I84-I133 HydrophobicContact CD1-CB 4.41Å; I84-I133 HydrophobicContact CD1-CD1 3.45Å; I84-I133 VanDerWaalsContact CD1-CD1 3.45Å; I84-I133 HydrophobicContact CD1-CG2 4.23Å; I84-F145 HydrophobicContact CG2-CZ 4.03Å; I84-L148 WeakPolarHBondContact O-CD1 3.34Å; I84-I154 HydrophobicContact CG2-CD1 4.36Å
85	M	78.3	Confident	86.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-143.4	160.3	-177.8	-56.1	-173.2	77.4	0	0	109.5	S83 K87 F90 I135 I141 D144	S83-M85 VanDerWaalsContact C-N 3.32Å; S83-M85 PolarHBondContact OG-O 2.68Å; M85-K87 PolarHBondContact O-N 2.95Å; M85-F90 HydrophobicContact CB-CB 4.01Å; M85-F90 HydrophobicContact CB-CD2 4.02Å; M85-F90 HydrophobicContact CB-CG 3.99Å; M85-F90 HydrophobicContact CG-CB 4.29Å; M85-F90 HydrophobicContact CG-CD1 4.14Å; M85-F90 HydrophobicContact CG-CD2 4.22Å; M85-F90 HydrophobicContact CG-CG 3.95Å; M85-F90 HydrophobicContact SD-CD1 3.91Å; M85-F90 HydrophobicContact SD-CD2 3.87Å; M85-F90 HydrophobicContact SD-CE1 3.72Å; M85-F90 HydrophobicContact SD-CE2 3.67Å; M85-F90 HydrophobicContact SD-CG 3.97Å; M85-F90 HydrophobicContact SD-CZ 3.59Å; M85-F90 VanDerWaalsContact SD-CZ 3.59Å; M85-I135 HydrophobicContact SD-CD1 4Å; M85-I141 HydrophobicContact CE-CB 3.95Å; M85-I141 HydrophobicContact CE-CD1 3.95Å; M85-I141 HydrophobicContact CE-CG1 3.86Å; M85-I141 HydrophobicContact CE-CG2 3.77Å; M85-I141 HydrophobicContact SD-CD1 4Å; M85-I141 HydrophobicContact SD-CG2 4.39Å; M85-D144 HydrophobicContact CE-CB 3.34Å; M85-D144 WeakPolarHBondContact CE-OD2 3.46Å
86	N	68.8	Low	87.1	Confident	108 Å²	108	40.2 Å²	40.2	58%	0.578	21%	0.207	S	C	*	.	S	Bend	trans	-74	27.8	177.8	-70	-29.2	0	0	0	113.9
87	K	69	Low	87.2	Confident	79 Å²	79	39.8 Å²	39.8	34%	0.343	21%	0.205	S	C	.	.	S	Bend	trans	-118.4	134.8	-177.5	-68.1	174.6	-178.6	165.9	0	108.4	M85 D89 F90 D144	M85-K87 PolarHBondContact O-N 2.95Å; K87-D89 PolarHBondContact O-N 3.36Å; K87-D89 VanDerWaalsContact O-N 3.12Å; K87-F90 HydrophobicContact CB-CD2 3.92Å; K87-F90 HydrophobicContact CB-CE2 4.49Å; K87-F90 HydrophobicContact CD-CE2 4.37Å; K87-F90 PolarHBondContact O-N 3.18Å; K87-D144 VanDerWaalsContact CE-OD2 3.28Å; K87-D144 WeakPolarHBondContact CE-OD2 3.49Å; K87-D144 IonicContact NZ-OD2 3.61Å; K87-D144 PolarHBondContact NZ-OD2 3.42Å
88	D	67.9	Low	87.2	Confident	151 Å²	151	39 Å²	39	81%	0.807	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-58	-29.4	-176.8	-68	-27.9	0	0	0	112.6	F90 L91	D88-F90 PolarHBondContact O-N 2.66Å; D88-L91 VanDerWaalsContact O-CB 3.3Å; D88-L91 WeakPolarHBondContact O-CB 3.25Å; D88-L91 PolarHBondContact O-N 2.99Å; D88-L91 VanDerWaalsContact O-N 3.15Å
89	D	72.9	Confident	86.9	Confident	147 Å²	147	39.3 Å²	39.3	79%	0.786	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-64.7	-18.5	178.5	-60.8	-27.5	0	0	0	113.8	K87	K87-D89 PolarHBondContact O-N 3.36Å; K87-D89 VanDerWaalsContact O-N 3.12Å
90	F	79.8	Confident	86.5	Confident	49 Å²	49	39.7 Å²	39.7	22%	0.215	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-105	21.8	178.9	-66	-91.9	0	0	0	112.2	S83 I84 M85 K87 D88 F92 I135	S83-F90 VanDerWaalsContact CA-O 3.3Å; S83-F90 WeakPolarHBondContact CA-O 2.86Å; S83-F90 PolarHBondContact OG-O 2.85Å; I84-F90 HydrophobicContact CB-CB 4.49Å; I84-F90 PolarHBondContact N-O 3.21Å; M85-F90 HydrophobicContact CB-CB 4.01Å; M85-F90 HydrophobicContact CB-CD2 4.02Å; M85-F90 HydrophobicContact CB-CG 3.99Å; M85-F90 HydrophobicContact CG-CB 4.29Å; M85-F90 HydrophobicContact CG-CD1 4.14Å; M85-F90 HydrophobicContact CG-CD2 4.22Å; M85-F90 HydrophobicContact CG-CG 3.95Å; M85-F90 HydrophobicContact SD-CD1 3.91Å; M85-F90 HydrophobicContact SD-CD2 3.87Å; M85-F90 HydrophobicContact SD-CE1 3.72Å; M85-F90 HydrophobicContact SD-CE2 3.67Å; M85-F90 HydrophobicContact SD-CG 3.97Å; M85-F90 HydrophobicContact SD-CZ 3.59Å; M85-F90 VanDerWaalsContact SD-CZ 3.59Å; K87-F90 HydrophobicContact CB-CD2 3.92Å; K87-F90 HydrophobicContact CB-CE2 4.49Å; K87-F90 HydrophobicContact CD-CE2 4.37Å; K87-F90 PolarHBondContact O-N 3.18Å; D88-F90 PolarHBondContact O-N 2.66Å; F90-F92 HydrophobicContact CB-CE2 4.26Å; F90-F92 WeakPolarHBondContact O-CD2 3.43Å; F90-F92 VanDerWaalsContact O-CE2 3.28Å; F90-F92 WeakPolarHBondContact O-CE2 3.03Å; F90-I135 HydrophobicContact CE1-CD1 4.18Å; F90-I135 HydrophobicContact CE1-CG1 4.46Å
91	L	87.7	Confident	86	Confident	85 Å²	85	43.3 Å²	43.3	45%	0.445	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.3	171.7	-170.1	67.3	0	0	0	110.3	E81 D88	E81-L91 HydrophobicContact CG-CD1 3.9Å; E81-L91 HydrophobicContact CG-CG 4.48Å; E81-L91 WeakPolarHBondContact OE1-CD1 3.49Å; D88-L91 VanDerWaalsContact O-CB 3.3Å; D88-L91 WeakPolarHBondContact O-CB 3.25Å; D88-L91 PolarHBondContact O-N 2.99Å; D88-L91 VanDerWaalsContact O-N 3.15Å
92	F	91.8	Very high	85.6	Confident	52 Å²	52	44.6 Å²	44.6	23%	0.228	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.4	177.4	-60	-88	0	0	0	109.5	E81 Y82 I84 F90 I133	E81-F92 WeakPolarHBondContact CA-O 3.42Å; Y82-F92 HydrophobicContact CD1-CB 4.45Å; Y82-F92 HydrophobicContact CD2-CB 4.02Å; Y82-F92 HydrophobicContact CD2-CD2 4.27Å; Y82-F92 HydrophobicContact CE1-CB 4.01Å; Y82-F92 HydrophobicContact CE2-CB 3.52Å; Y82-F92 AromaticContact CE2-CD2 3.88Å; Y82-F92 HydrophobicContact CE2-CD2 3.88Å; Y82-F92 AromaticContact CE2-CG 3.88Å; Y82-F92 HydrophobicContact CE2-CG 3.88Å; Y82-F92 HydrophobicContact CG-CB 4.46Å; Y82-F92 PolarHBondContact N-O 3.41Å; Y82-F92 PolarHBondContact O-N 2.82Å; Y82-F92 VanDerWaalsContact O-O 3.11Å; I84-F92 HydrophobicContact CB-CE2 4.48Å; I84-F92 HydrophobicContact CD1-CD2 4.02Å; I84-F92 HydrophobicContact CD1-CE2 3.69Å; I84-F92 HydrophobicContact CD1-CZ 4.48Å; I84-F92 HydrophobicContact CG1-CD2 4.15Å; I84-F92 HydrophobicContact CG1-CE2 4.06Å; F90-F92 HydrophobicContact CB-CE2 4.26Å; F90-F92 WeakPolarHBondContact O-CD2 3.43Å; F90-F92 VanDerWaalsContact O-CE2 3.28Å; F90-F92 WeakPolarHBondContact O-CE2 3.03Å; F92-I133 HydrophobicContact CD1-CD1 4.07Å; F92-I133 HydrophobicContact CD2-CD1 4.17Å; F92-I133 HydrophobicContact CE1-CD1 3.96Å; F92-I133 HydrophobicContact CE1-CG1 4.27Å; F92-I133 HydrophobicContact CE1-CG2 4.25Å; F92-I133 HydrophobicContact CE2-CD1 4.07Å; F92-I133 HydrophobicContact CE2-CG2 4.4Å; F92-I133 HydrophobicContact CG-CD1 4.18Å; F92-I133 HydrophobicContact CZ-CD1 3.97Å; F92-I133 HydrophobicContact CZ-CG1 4.4Å; F92-I133 HydrophobicContact CZ-CG2 3.73Å
93	S	93.7	Very high	85.4	Confident	29 Å²	29	45.9 Å²	45.9	20%	0.203	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.5	169.1	84.8	0	0	0	0	111.4	L80 T109	L80-S93 CarbonylContact O-C 3.52Å; L80-S93 WeakPolarHBondContact O-CA 3.33Å; L80-S93 WeakPolarHBondContact O-CB 3.33Å; S93-T109 WeakPolarHBondContact O-CB 3.46Å; S93-T109 PolarHBondContact O-N 3.37Å; S93-T109 PolarHBondContact O-OG1 3.02Å; S93-T109 PolarHBondContact OG-OG1 2.89Å
94	T	95.1	Very high	85.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	117.8	-177.8	-65.8	0	0	0	0	108.9	L80 V96 I106 W129 E131	L80-T94 PolarHBondContact N-O 3.38Å; L80-T94 PolarHBondContact O-N 2.81Å; T94-V96 HydrophobicContact CG2-CG2 4.31Å; T94-I106 HydrophobicContact CG2-CG2 3.39Å; T94-W129 HydrophobicContact CG2-CZ2 4.17Å; T94-E131 WeakPolarHBondContact CB-OE1 3.42Å; T94-E131 WeakPolarHBondContact CG2-OE1 3.45Å; T94-E131 PolarHBondContact OG1-OE1 2.68Å
95	D	95.7	Very high	85.9	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.3	169.6	-56.3	-36.2	0	0	0	109.9	F78 H79 I106 Y107 C165 S166 T169	F78-D95 CarbonylContact O-C 3.56Å; F78-D95 VanDerWaalsContact O-CA 3.29Å; F78-D95 WeakPolarHBondContact O-CA 3.46Å; H79-D95 IonicContact CE1-OD1 2.8Å; H79-D95 IonicContact CG-OD1 3.26Å; H79-D95 IonicContact ND1-OD1 3.89Å; H79-D95 PolarHBondContact ND1-OD1 2.94Å; D95-I106 CarbonylContact O-C 3.45Å; D95-I106 WeakPolarHBondContact O-CA 3.31Å; D95-Y107 HydrophobicContact CB-CD2 4.45Å; D95-Y107 PolarHBondContact N-O 2.96Å; D95-Y107 PolarHBondContact O-N 2.81Å; D95-C165 HydrophobicContact CB-CB 4.36Å; D95-C165 WeakPolarHBondContact OD1-CA 3.39Å; D95-S166 WeakPolarHBondContact OD2-CB 3.23Å; D95-S166 PolarHBondContact OD2-N 3.42Å; D95-S166 PolarHBondContact OD2-OG 2.87Å; D95-T169 HydrophobicContact CB-CG2 3.7Å; D95-T169 VanDerWaalsContact OD2-CB 3.27Å; D95-T169 WeakPolarHBondContact OD2-CB 3.06Å; D95-T169 PolarHBondContact OD2-OG1 3.06Å
96	V	95.1	Very high	86.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.4	173	-174.4	0	0	0	0	109	L41 F78 L80 T94 I106 W129	L41-V96 HydrophobicContact CD2-CG1 4.2Å; F78-V96 HydrophobicContact CB-CB 4.23Å; F78-V96 HydrophobicContact CD2-CB 4.46Å; F78-V96 PolarHBondContact N-O 3.35Å; F78-V96 PolarHBondContact O-N 2.69Å; L80-V96 HydrophobicContact CD1-CG2 4.07Å; T94-V96 HydrophobicContact CG2-CG2 4.31Å; V96-I106 HydrophobicContact CG1-CG1 4.37Å; V96-I106 HydrophobicContact CG2-CG1 4.35Å; V96-I106 HydrophobicContact CG2-CG2 4.43Å; V96-W129 HydrophobicContact CG2-CH2 3.64Å; V96-W129 HydrophobicContact CG2-CZ2 3.89Å; V96-W129 HydrophobicContact CG2-CZ3 4.09Å
97	V	93.9	Very high	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.2	175.2	-172.6	0	0	0	0	109.4	F75 M76 Y77 F99 A104 K105 Y107 T169	F75-V97 HydrophobicContact CB-CG1 4.42Å; M76-V97 WeakPolarHBondContact O-CA 3.38Å; Y77-V97 HydrophobicContact CD1-CG1 4.13Å; Y77-V97 HydrophobicContact CD1-CG2 3.7Å; Y77-V97 HydrophobicContact CE1-CG1 3.84Å; Y77-V97 HydrophobicContact CE1-CG2 3.85Å; V97-F99 HydrophobicContact CB-CE1 4.36Å; V97-F99 HydrophobicContact CB-CE2 4.28Å; V97-F99 HydrophobicContact CB-CZ 4.05Å; V97-F99 HydrophobicContact CG1-CD1 3.84Å; V97-F99 HydrophobicContact CG1-CD2 4.47Å; V97-F99 HydrophobicContact CG1-CE1 3.46Å; V97-F99 VanDerWaalsContact CG1-CE1 3.46Å; V97-F99 HydrophobicContact CG1-CE2 4.16Å; V97-F99 HydrophobicContact CG1-CG 4.34Å; V97-F99 HydrophobicContact CG1-CZ 3.65Å; V97-A104 CarbonylContact O-C 3.56Å; V97-A104 VanDerWaalsContact O-CA 3.26Å; V97-A104 WeakPolarHBondContact O-CA 3.43Å; V97-K105 PolarHBondContact N-O 2.82Å; V97-K105 PolarHBondContact O-N 2.81Å; V97-Y107 HydrophobicContact CB-CE2 4.23Å; V97-Y107 HydrophobicContact CG2-CD2 4.39Å; V97-Y107 HydrophobicContact CG2-CE2 3.83Å; V97-T169 HydrophobicContact CG2-CG2 3.2Å
98	V	92.5	Very high	89	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	109	174.2	-172.8	0	0	0	0	107.9	L48 F75 M76 F78 A104 L125 I127	L48-V98 HydrophobicContact CD1-CG1 3.9Å; L48-V98 HydrophobicContact CD2-CG1 4.07Å; F75-V98 WeakPolarHBondContact CA-O 3.36Å; M76-V98 HydrophobicContact CB-CB 4.24Å; M76-V98 PolarHBondContact N-O 3.5Å; M76-V98 PolarHBondContact O-N 3.32Å; F78-V98 HydrophobicContact CE2-CG2 4.07Å; V98-A104 HydrophobicContact CG2-CB 4.31Å; V98-L125 HydrophobicContact CG1-CD2 3.96Å; V98-I127 HydrophobicContact CG2-CD1 3.85Å; V98-I127 HydrophobicContact CG2-CG1 4.47Å
99	F	88.8	Confident	89.9	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-33.2	-177.2	-65.9	-66.3	0	0	0	112.7	F75 V97 I103 K105 P174	F75-F99 HydrophobicContact CD1-CB 4.29Å; F75-F99 AromaticContact CD1-CD1 3.93Å; F75-F99 HydrophobicContact CD1-CD1 3.93Å; F75-F99 WeakPolarHBondContact CD1-O 3.47Å; F75-F99 AromaticContact CD2-CD1 3.88Å; F75-F99 HydrophobicContact CD2-CD1 3.88Å; F75-F99 HydrophobicContact CD2-CE1 4.17Å; F75-F99 HydrophobicContact CE1-CB 4.17Å; F75-F99 AromaticContact CE1-CD1 3.9Å; F75-F99 HydrophobicContact CE1-CD1 3.9Å; F75-F99 WeakPolarHBondContact CE1-O 3.46Å; F75-F99 AromaticContact CE2-CD1 3.87Å; F75-F99 HydrophobicContact CE2-CD1 3.87Å; F75-F99 HydrophobicContact CE2-CE1 4.22Å; F75-F99 AromaticContact CG-CD1 3.92Å; F75-F99 HydrophobicContact CG-CD1 3.92Å; F75-F99 AromaticContact CZ-CD1 3.89Å; F75-F99 HydrophobicContact CZ-CD1 3.89Å; V97-F99 HydrophobicContact CB-CE1 4.36Å; V97-F99 HydrophobicContact CB-CE2 4.28Å; V97-F99 HydrophobicContact CB-CZ 4.05Å; V97-F99 HydrophobicContact CG1-CD1 3.84Å; V97-F99 HydrophobicContact CG1-CD2 4.47Å; V97-F99 HydrophobicContact CG1-CE1 3.46Å; V97-F99 VanDerWaalsContact CG1-CE1 3.46Å; V97-F99 HydrophobicContact CG1-CE2 4.16Å; V97-F99 HydrophobicContact CG1-CG 4.34Å; V97-F99 HydrophobicContact CG1-CZ 3.65Å; F99-I103 HydrophobicContact CB-CG2 4.46Å; F99-I103 HydrophobicContact CD2-CG2 4.07Å; F99-I103 PolarHBondContact N-O 2.84Å; F99-K105 HydrophobicContact CD2-CB 4.37Å; F99-K105 HydrophobicContact CE2-CB 3.72Å; F99-K105 HydrophobicContact CE2-CD 4.36Å; F99-P174 HydrophobicContact CB-CG 4.23Å; F99-P174 HydrophobicContact CD1-CG 3.85Å; F99-P174 HydrophobicContact CD2-CB 4.34Å; F99-P174 HydrophobicContact CD2-CG 4.49Å; F99-P174 HydrophobicContact CE1-CG 4.31Å; F99-P174 HydrophobicContact CG-CB 4.26Å; F99-P174 HydrophobicContact CG-CG 3.95Å
100	S	87.5	Confident	90.3	Very high	31 Å²	31	35.6 Å²	35.6	22%	0.217	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	175.7	178.9	70.5	0	0	0	0	110.3	S102 I103	S100-S102 PolarHBondContact O-N 2.84Å; S100-S102 PolarHBondContact OG-N 3.35Å; S100-S102 PolarHBondContact OG-OG 3.46Å; S100-S102 VanDerWaalsContact OG-OG 3.1Å; S100-I103 PolarHBondContact N-O 3.31Å; S100-I103 PolarHBondContact O-N 3.2Å; S100-I103 PolarHBondContact OG-N 3.05Å
101	K	86.3	Confident	90.5	Very high	76 Å²	76	37.2 Å²	37.2	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.4	171.3	-68.7	-174.2	166.3	-141	0	114.3	S45 L48 E120 L125	S45-K101 WeakPolarHBondContact O-CE 3.43Å; S45-K101 PolarHBondContact OG-NZ 3.14Å; L48-K101 HydrophobicContact CD1-CG 4.33Å; K101-E120 WeakPolarHBondContact CD-OE2 3.47Å; K101-E120 VanDerWaalsContact NZ-CD 3.3Å; K101-E120 IonicContact NZ-OE1 3.82Å; K101-E120 PolarHBondContact NZ-OE1 3.31Å; K101-E120 IonicContact NZ-OE2 3.48Å; K101-E120 PolarHBondContact NZ-OE2 2.91Å; K101-L125 HydrophobicContact CB-CD1 4.44Å
102	S	85.3	Confident	90.4	Very high	75 Å²	75	37.8 Å²	37.8	52%	0.524	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-10.2	-176.7	54	0	0	0	0	114.3	S100 P118	S100-S102 PolarHBondContact O-N 2.84Å; S100-S102 PolarHBondContact OG-N 3.35Å; S100-S102 PolarHBondContact OG-OG 3.46Å; S100-S102 VanDerWaalsContact OG-OG 3.1Å; S102-P118 VanDerWaalsContact C-CD 3.45Å; S102-P118 WeakPolarHBondContact O-CD 3.49Å
103	I	89.4	Confident	90.3	Very high	30 Å²	30	37.8 Å²	37.8	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	115.7	-172.7	-57.5	167.8	0	0	0	110	F99 S100 L115 V177	F99-I103 HydrophobicContact CB-CG2 4.46Å; F99-I103 HydrophobicContact CD2-CG2 4.07Å; F99-I103 PolarHBondContact N-O 2.84Å; S100-I103 PolarHBondContact N-O 3.31Å; S100-I103 PolarHBondContact O-N 3.2Å; S100-I103 PolarHBondContact OG-N 3.05Å; I103-L115 HydrophobicContact CG2-CD1 4.24Å; I103-V177 HydrophobicContact CD1-CB 4.38Å; I103-V177 HydrophobicContact CD1-CG2 3.7Å
104	A	92	Very high	90.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.4	161.8	0	0	0	0	0	109.8	V97 V98 A116 P118 I127	V97-A104 CarbonylContact O-C 3.56Å; V97-A104 VanDerWaalsContact O-CA 3.26Å; V97-A104 WeakPolarHBondContact O-CA 3.43Å; V98-A104 HydrophobicContact CG2-CB 4.31Å; A104-A116 HydrophobicContact CB-CB 4.38Å; A104-A116 PolarHBondContact N-O 3.48Å; A104-A116 PolarHBondContact O-N 3.35Å; A104-P118 HydrophobicContact CB-CG 3.66Å; A104-I127 HydrophobicContact CB-CG1 4.07Å; A104-I127 HydrophobicContact CB-CG2 4.28Å
105	K	93.5	Very high	89.9	Confident	41 Å²	41	47 Å²	47	18%	0.178	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.9	177.7	-165.3	164.5	164.7	-166.6	0	109.7	V97 F99 Y107 S113 K114 D172	V97-K105 PolarHBondContact N-O 2.82Å; V97-K105 PolarHBondContact O-N 2.81Å; F99-K105 HydrophobicContact CD2-CB 4.37Å; F99-K105 HydrophobicContact CE2-CB 3.72Å; F99-K105 HydrophobicContact CE2-CD 4.36Å; K105-Y107 HydrophobicContact CB-CE2 3.78Å; K105-Y107 HydrophobicContact CD-CE1 4.16Å; K105-Y107 HydrophobicContact CD-CE2 4.29Å; K105-Y107 WeakPolarHBondContact CD-OH 3.33Å; K105-Y107 HydrophobicContact CG-CD2 4.49Å; K105-Y107 HydrophobicContact CG-CE1 4.21Å; K105-Y107 HydrophobicContact CG-CE2 3.74Å; K105-Y107 WeakPolarHBondContact O-CE2 3.25Å; K105-S113 WeakPolarHBondContact CE-OG 3.26Å; K105-S113 PolarHBondContact NZ-OG 3.07Å; K105-K114 WeakPolarHBondContact CA-O 3.43Å; K105-D172 IonicContact NZ-OD2 2.71Å; K105-D172 PolarHBondContact NZ-OD2 2.95Å
106	I	94.5	Very high	89.5	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.9	-174.8	-57.5	157.7	0	0	0	107.3	T94 D95 V96 P108 S113 K114 A116 W129	T94-I106 HydrophobicContact CG2-CG2 3.39Å; D95-I106 CarbonylContact O-C 3.45Å; D95-I106 WeakPolarHBondContact O-CA 3.31Å; V96-I106 HydrophobicContact CG1-CG1 4.37Å; V96-I106 HydrophobicContact CG2-CG1 4.35Å; V96-I106 HydrophobicContact CG2-CG2 4.43Å; I106-P108 HydrophobicContact CG2-CG 4.24Å; I106-S113 CarbonylContact O-C 3.44Å; I106-S113 WeakPolarHBondContact O-CA 3.26Å; I106-K114 PolarHBondContact N-O 3.39Å; I106-K114 PolarHBondContact O-N 3.43Å; I106-A116 HydrophobicContact CD1-CB 3.64Å; I106-A116 HydrophobicContact CG1-CB 4.27Å; I106-W129 HydrophobicContact CD1-CB 3.36Å; I106-W129 HydrophobicContact CD1-CD2 3.81Å; I106-W129 HydrophobicContact CD1-CE3 4.1Å; I106-W129 HydrophobicContact CD1-CG 3.52Å; I106-W129 HydrophobicContact CG1-CD2 4.37Å; I106-W129 HydrophobicContact CG1-CG 4.45Å; I106-W129 HydrophobicContact CG2-CD2 4.47Å; I106-W129 HydrophobicContact CG2-CG 4.38Å
107	Y	94.4	Very high	89.1	Confident	19 Å²	19	50.7 Å²	50.7	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	82.6	-177.3	-53.6	-102.3	0	0	0	108.4	D95 V97 K105 S113 T169 D172	D95-Y107 HydrophobicContact CB-CD2 4.45Å; D95-Y107 PolarHBondContact N-O 2.96Å; D95-Y107 PolarHBondContact O-N 2.81Å; V97-Y107 HydrophobicContact CB-CE2 4.23Å; V97-Y107 HydrophobicContact CG2-CD2 4.39Å; V97-Y107 HydrophobicContact CG2-CE2 3.83Å; K105-Y107 HydrophobicContact CB-CE2 3.78Å; K105-Y107 HydrophobicContact CD-CE1 4.16Å; K105-Y107 HydrophobicContact CD-CE2 4.29Å; K105-Y107 WeakPolarHBondContact CD-OH 3.33Å; K105-Y107 HydrophobicContact CG-CD2 4.49Å; K105-Y107 HydrophobicContact CG-CE1 4.21Å; K105-Y107 HydrophobicContact CG-CE2 3.74Å; K105-Y107 WeakPolarHBondContact O-CE2 3.25Å; Y107-S113 VanDerWaalsContact CD1-CB 3.49Å; Y107-T169 HydrophobicContact CD2-CG2 3.7Å; Y107-T169 HydrophobicContact CE2-CG2 3.79Å; Y107-T169 HydrophobicContact CG-CG2 4.23Å; Y107-D172 HydrophobicContact CE1-CB 4.36Å; Y107-D172 WeakPolarHBondContact CE1-OD2 3.46Å; Y107-D172 WeakPolarHBondContact OH-CB 3.42Å; Y107-D172 PolarHBondContact OH-OD2 2.96Å
108	P	91.7	Very high	88.9	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.071	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.5	171.6	-3.1	19.8	0	0	0	109.3	I106 C111	I106-P108 HydrophobicContact CG2-CG 4.24Å; P108-C111 HydrophobicContact CB-CB 3.92Å; P108-C111 HydrophobicContact CG-CB 4.09Å; P108-C111 PolarHBondContact O-N 2.94Å
109	T	86	Confident	88.8	Confident	63 Å²	63	52 Å²	52	39%	0.387	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	138.9	179.9	-57.3	0	0	0	0	110.3	S93 C111	S93-T109 WeakPolarHBondContact O-CB 3.46Å; S93-T109 PolarHBondContact O-N 3.37Å; S93-T109 PolarHBondContact O-OG1 3.02Å; S93-T109 PolarHBondContact OG-OG1 2.89Å; T109-C111 PolarHBondContact O-N 3.16Å
110	N	82	Confident	88.7	Confident	169 Å²	169	55.2 Å²	55.2	90%	0.904	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	11.7	-178.9	-56.4	-28.4	0	0	0	115.3
111	C	84	Confident	88.7	Confident	83 Å²	83	55.2 Å²	55.2	56%	0.561	31%	0.308	S	S	*	.	S	Bend	trans	-117.5	162.3	177.3	-65.2	0	0	0	0	111.3	P108 T109	P108-C111 HydrophobicContact CB-CB 3.92Å; P108-C111 HydrophobicContact CG-CB 4.09Å; P108-C111 PolarHBondContact O-N 2.94Å; T109-C111 PolarHBondContact O-N 3.16Å
112	S	85.9	Confident	88.6	Confident	97 Å²	97	57.9 Å²	57.9	68%	0.678	33%	0.326	S	S	*	.			trans	-70.4	140.6	170.6	56.9	0	0	0	0	110.7	K114	S112-K114 PolarHBondContact O-N 3.45Å
113	S	88.8	Confident	88.5	Confident	52 Å²	52	60.5 Å²	60.5	36%	0.364	33%	0.334	S	S	.	.			trans	-62.9	134.2	177.7	64.2	0	0	0	0	111.1	K105 I106 Y107	K105-S113 WeakPolarHBondContact CE-OG 3.26Å; K105-S113 PolarHBondContact NZ-OG 3.07Å; I106-S113 CarbonylContact O-C 3.44Å; I106-S113 WeakPolarHBondContact O-CA 3.26Å; Y107-S113 VanDerWaalsContact CD1-CB 3.49Å
114	K	90.9	Very high	88.5	Confident	107 Å²	107	59.5 Å²	59.5	47%	0.465	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.4	179.7	-63.4	176.7	-176.2	172.2	0	110.2	K105 I106 S112	K105-K114 WeakPolarHBondContact CA-O 3.43Å; I106-K114 PolarHBondContact N-O 3.39Å; I106-K114 PolarHBondContact O-N 3.43Å; S112-K114 PolarHBondContact O-N 3.45Å
115	L	89.5	Confident	88.5	Confident	118 Å²	118	59.6 Å²	59.6	62%	0.618	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.3	171	-151.7	97	0	0	0	108.6	I103	I103-L115 HydrophobicContact CG2-CD1 4.24Å
116	A	87.6	Confident	88.5	Confident	11 Å²	11	59.1 Å²	59.1	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.3	171	0	0	0	0	0	109.2	A104 I106 P118 I127	A104-A116 HydrophobicContact CB-CB 4.38Å; A104-A116 PolarHBondContact N-O 3.48Å; A104-A116 PolarHBondContact O-N 3.35Å; I106-A116 HydrophobicContact CD1-CB 3.64Å; I106-A116 HydrophobicContact CG1-CB 4.27Å; A116-P118 VanDerWaalsContact O-CD 3.31Å; A116-P118 WeakPolarHBondContact O-CD 3.33Å; A116-I127 HydrophobicContact CB-CG2 3.99Å
117	N	87.2	Confident	88.5	Confident	71 Å²	71	59 Å²	59	38%	0.38	33%	0.326	S	S	.	.			trans	-98.7	105.4	175.3	-68.6	2.7	0	0	0	107.7	K194	N117-K194 PolarHBondContact ND2-NZ 2.95Å
118	P	89.2	Confident	88.5	Confident	12 Å²	12	59.7 Å²	59.7	8%	0.078	33%	0.332	C	S	.	.			trans	-59.3	144.2	174.4	-21.2	35.5	0	0	0	110.6	S102 A104 A116 L125 W126 I127	S102-P118 VanDerWaalsContact C-CD 3.45Å; S102-P118 WeakPolarHBondContact O-CD 3.49Å; A104-P118 HydrophobicContact CB-CG 3.66Å; A116-P118 VanDerWaalsContact O-CD 3.31Å; A116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-L125 HydrophobicContact CB-CD1 3.59Å; P118-L125 HydrophobicContact CB-CD2 3.89Å; P118-L125 HydrophobicContact CB-CG 3.65Å; P118-L125 HydrophobicContact CG-CD2 4.46Å; P118-W126 CarbonylContact C-O 3.57Å; P118-W126 VanDerWaalsContact CA-O 3.29Å; P118-W126 WeakPolarHBondContact CA-O 3.16Å; P118-I127 HydrophobicContact CB-CG1 4.06Å; P118-I127 HydrophobicContact CG-CG1 4.06Å
119	C	89.8	Confident	88.6	Confident	15 Å²	15	60.2 Å²	60.2	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.3	177	-70	0	0	0	0	109.1	W126 V198	C119-W126 PolarHBondContact N-O 3.42Å; C119-W126 PolarHBondContact O-N 3.2Å; C119-V198 HydrophobicContact CB-CB 4.38Å; C119-V198 HydrophobicContact CB-CG1 4.17Å; C119-V198 HydrophobicContact CB-CG2 4.47Å
120	E	87.3	Confident	89.1	Confident	75 Å²	75	60.3 Å²	60.3	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.8	179	-170.2	169.7	-168.6	0	0	110.2	S45 K101 T124 L125	S45-E120 WeakPolarHBondContact CB-OE1 3.47Å; S45-E120 PolarHBondContact OG-OE1 3.47Å; K101-E120 WeakPolarHBondContact CD-OE2 3.47Å; K101-E120 VanDerWaalsContact NZ-CD 3.3Å; K101-E120 IonicContact NZ-OE1 3.82Å; K101-E120 PolarHBondContact NZ-OE1 3.31Å; K101-E120 IonicContact NZ-OE2 3.48Å; K101-E120 PolarHBondContact NZ-OE2 2.91Å; E120-T124 WeakPolarHBondContact CA-O 3.26Å; E120-L125 HydrophobicContact CB-CD1 3.91Å
121	F	88.3	Confident	89.6	Confident	31 Å²	31	53 Å²	53	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.3	168.2	59.3	-90.8	0	0	0	109.7	D123 T124 W126 V198 Q199 I202	F121-D123 PolarHBondContact O-N 2.95Å; F121-T124 PolarHBondContact N-O 3.29Å; F121-T124 PolarHBondContact O-N 3.24Å; F121-T124 VanDerWaalsContact O-O 3.08Å; F121-W126 AromaticContact CD1-CD1 3.64Å; F121-W126 HydrophobicContact CD1-CG 4.46Å; F121-W126 AromaticContact CD2-NE1 3.8Å; F121-W126 HydrophobicContact CE1-CB 4.08Å; F121-W126 AromaticContact CE1-CD1 3.2Å; F121-W126 HydrophobicContact CE1-CD2 4.49Å; F121-W126 AromaticContact CE1-CG 3.67Å; F121-W126 HydrophobicContact CE1-CG 3.67Å; F121-W126 AromaticContact CE1-NE1 3.77Å; F121-W126 AromaticContact CE2-CD1 3.72Å; F121-W126 AromaticContact CE2-CE2 3.95Å; F121-W126 HydrophobicContact CE2-CG 4.46Å; F121-W126 AromaticContact CE2-NE1 3.33Å; F121-W126 VanDerWaalsContact CE2-NE1 3.33Å; F121-W126 HydrophobicContact CZ-CB 4.44Å; F121-W126 AromaticContact CZ-CD1 3.24Å; F121-W126 HydrophobicContact CZ-CD2 4.02Å; F121-W126 AromaticContact CZ-CE2 3.83Å; F121-W126 AromaticContact CZ-CG 3.67Å; F121-W126 HydrophobicContact CZ-CG 3.67Å; F121-W126 AromaticContact CZ-NE1 3.31Å; F121-W126 VanDerWaalsContact CZ-NE1 3.31Å; F121-V198 HydrophobicContact CE1-CG1 4.22Å; F121-Q199 HydrophobicContact CZ-CG 4.48Å; F121-I202 HydrophobicContact CE1-CD1 4.28Å; F121-I202 HydrophobicContact CZ-CD1 3.73Å
122	N	82.9	Confident	90.1	Very high	133 Å²	133	54.8 Å²	54.8	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	49.7	-175	-56.1	-19.3	0	0	0	112.9	T124	N122-T124 PolarHBondContact O-N 2.67Å; N122-T124 PolarHBondContact O-OG1 3.29Å
123	D	84	Confident	90.4	Very high	129 Å²	129	51 Å²	51	69%	0.69	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	33.7	179.3	-52.4	-34	0	0	0	113.4	F121 K329	F121-D123 PolarHBondContact O-N 2.95Å; D123-K329 PolarHBondContact O-NZ 3.43Å
124	T	89.5	Confident	90.6	Very high	10 Å²	10	52.9 Å²	52.9	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.5	-176.8	-52	0	0	0	0	108.4	A42 E120 F121 N122 W126 K329	A42-T124 HydrophobicContact CB-CG2 3.68Å; E120-T124 WeakPolarHBondContact CA-O 3.26Å; F121-T124 PolarHBondContact N-O 3.29Å; F121-T124 PolarHBondContact O-N 3.24Å; F121-T124 VanDerWaalsContact O-O 3.08Å; N122-T124 PolarHBondContact O-N 2.67Å; N122-T124 PolarHBondContact O-OG1 3.29Å; T124-W126 HydrophobicContact CG2-CD2 4.23Å; T124-W126 HydrophobicContact CG2-CZ2 3.89Å; T124-W126 VanDerWaalsContact O-CD1 3.31Å; T124-K329 HydrophobicContact CG2-CD 3.86Å; T124-K329 WeakPolarHBondContact OG1-CE 3.32Å; T124-K329 PolarHBondContact OG1-NZ 2.88Å
125	L	92	Very high	90.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.3	176.5	-171.4	74.6	0	0	0	108.7	V43 L48 V98 K101 P118 E120	V43-L125 HydrophobicContact CG2-CB 4.06Å; V43-L125 HydrophobicContact CG2-CD2 4.24Å; V43-L125 HydrophobicContact CG2-CG 4.41Å; V43-L125 VanDerWaalsContact CG2-O 3.29Å; V43-L125 WeakPolarHBondContact CG2-O 3.5Å; V43-L125 PolarHBondContact N-O 3.07Å; V43-L125 PolarHBondContact O-N 2.83Å; L48-L125 HydrophobicContact CD1-CD2 3.6Å; V98-L125 HydrophobicContact CG1-CD2 3.96Å; K101-L125 HydrophobicContact CB-CD1 4.44Å; P118-L125 HydrophobicContact CB-CD1 3.59Å; P118-L125 HydrophobicContact CB-CD2 3.89Å; P118-L125 HydrophobicContact CB-CG 3.65Å; P118-L125 HydrophobicContact CG-CD2 4.46Å; E120-L125 HydrophobicContact CB-CD1 3.91Å
126	W	93.2	Very high	90.8	Very high	32 Å²	32	45.7 Å²	45.7	12%	0.121	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.9	-176	-64	89.9	0	0	0	111.2	V40 L41 A42 P118 C119 F121 T124 V198 I202 D330	V40-W126 HydrophobicContact CG1-CE3 3.52Å; V40-W126 HydrophobicContact CG1-CZ3 3.63Å; L41-W126 CarbonylContact O-C 3.6Å; L41-W126 WeakPolarHBondContact O-CA 3.24Å; A42-W126 HydrophobicContact CB-CD2 3.98Å; A42-W126 HydrophobicContact CB-CE3 3.52Å; A42-W126 HydrophobicContact CB-CH2 3.61Å; A42-W126 HydrophobicContact CB-CZ2 4.04Å; A42-W126 HydrophobicContact CB-CZ3 3.34Å; P118-W126 CarbonylContact C-O 3.57Å; P118-W126 VanDerWaalsContact CA-O 3.29Å; P118-W126 WeakPolarHBondContact CA-O 3.16Å; C119-W126 PolarHBondContact N-O 3.42Å; C119-W126 PolarHBondContact O-N 3.2Å; F121-W126 AromaticContact CD1-CD1 3.64Å; F121-W126 HydrophobicContact CD1-CG 4.46Å; F121-W126 AromaticContact CD2-NE1 3.8Å; F121-W126 HydrophobicContact CE1-CB 4.08Å; F121-W126 AromaticContact CE1-CD1 3.2Å; F121-W126 HydrophobicContact CE1-CD2 4.49Å; F121-W126 AromaticContact CE1-CG 3.67Å; F121-W126 HydrophobicContact CE1-CG 3.67Å; F121-W126 AromaticContact CE1-NE1 3.77Å; F121-W126 AromaticContact CE2-CD1 3.72Å; F121-W126 AromaticContact CE2-CE2 3.95Å; F121-W126 HydrophobicContact CE2-CG 4.46Å; F121-W126 AromaticContact CE2-NE1 3.33Å; F121-W126 VanDerWaalsContact CE2-NE1 3.33Å; F121-W126 HydrophobicContact CZ-CB 4.44Å; F121-W126 AromaticContact CZ-CD1 3.24Å; F121-W126 HydrophobicContact CZ-CD2 4.02Å; F121-W126 AromaticContact CZ-CE2 3.83Å; F121-W126 AromaticContact CZ-CG 3.67Å; F121-W126 HydrophobicContact CZ-CG 3.67Å; F121-W126 AromaticContact CZ-NE1 3.31Å; F121-W126 VanDerWaalsContact CZ-NE1 3.31Å; T124-W126 HydrophobicContact CG2-CD2 4.23Å; T124-W126 HydrophobicContact CG2-CZ2 3.89Å; T124-W126 VanDerWaalsContact O-CD1 3.31Å; W126-V198 HydrophobicContact CB-CG1 4.28Å; W126-I202 HydrophobicContact CB-CD1 4.09Å; W126-I202 HydrophobicContact CD2-CD1 3.72Å; W126-I202 HydrophobicContact CE3-CD1 3.62Å; W126-I202 HydrophobicContact CG-CD1 3.95Å; W126-I202 HydrophobicContact CZ3-CD1 4.28Å; W126-D330 HydrophobicContact CH2-CB 4.46Å
127	I	94.2	Very high	91.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.8	171.7	-54.9	98.2	0	0	0	107.9	L41 V43 V98 A104 A116 P118 W129	L41-I127 HydrophobicContact CB-CB 4.38Å; L41-I127 HydrophobicContact CD2-CD1 4.29Å; L41-I127 HydrophobicContact CG-CD1 4.37Å; L41-I127 PolarHBondContact N-O 3.21Å; L41-I127 PolarHBondContact O-N 3.42Å; V43-I127 HydrophobicContact CG2-CD1 3.45Å; V43-I127 VanDerWaalsContact CG2-CD1 3.45Å; V98-I127 HydrophobicContact CG2-CD1 3.85Å; V98-I127 HydrophobicContact CG2-CG1 4.47Å; A104-I127 HydrophobicContact CB-CG1 4.07Å; A104-I127 HydrophobicContact CB-CG2 4.28Å; A116-I127 HydrophobicContact CB-CG2 3.99Å; P118-I127 HydrophobicContact CB-CG1 4.06Å; P118-I127 HydrophobicContact CG-CG1 4.06Å; I127-W129 HydrophobicContact CG2-CE3 4.17Å; I127-W129 HydrophobicContact CG2-CZ3 4.42Å
128	V	94.7	Very high	91.5	Very high	33 Å²	33	42.9 Å²	42.9	20%	0.2	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.8	178.9	-178.1	0	0	0	0	109.6	T38 F39 V40 V198 T201 I202	T38-V128 HydrophobicContact CG2-CG1 4.02Å; F39-V128 VanDerWaalsContact O-CA 3.31Å; F39-V128 WeakPolarHBondContact O-CA 3.45Å; V40-V128 HydrophobicContact CB-CG2 4.39Å; V40-V128 HydrophobicContact CG1-CG2 4.23Å; V40-V128 HydrophobicContact CG2-CG1 4.24Å; V40-V128 HydrophobicContact CG2-CG2 3.97Å; V128-V198 HydrophobicContact CG2-CG1 3.73Å; V128-T201 HydrophobicContact CG1-CG2 4.21Å; V128-I202 HydrophobicContact CG2-CD1 4.19Å; V128-I202 HydrophobicContact CG2-CG1 4.28Å
129	W	94.5	Very high	91.7	Very high	21 Å²	21	43 Å²	43	8%	0.08	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.5	170.9	74.1	99.3	0	0	0	111.7	T38 F39 L41 L80 T94 V96 I106 I127 E131	T38-W129 WeakPolarHBondContact CA-O 3.24Å; F39-W129 HydrophobicContact CB-CD2 3.69Å; F39-W129 VanDerWaalsContact CB-CE2 3.42Å; F39-W129 HydrophobicContact CB-CE3 3.83Å; F39-W129 HydrophobicContact CB-CG 4.45Å; F39-W129 HydrophobicContact CB-CH2 3.47Å; F39-W129 VanDerWaalsContact CB-CH2 3.47Å; F39-W129 HydrophobicContact CB-CZ2 3.32Å; F39-W129 HydrophobicContact CB-CZ3 3.73Å; F39-W129 HydrophobicContact CD1-CH2 4.43Å; F39-W129 AromaticContact CD1-CZ2 3.93Å; F39-W129 HydrophobicContact CD1-CZ2 3.93Å; F39-W129 HydrophobicContact CD2-CD2 4.43Å; F39-W129 AromaticContact CD2-CE2 3.68Å; F39-W129 AromaticContact CD2-CZ2 3.96Å; F39-W129 HydrophobicContact CD2-CZ2 3.96Å; F39-W129 AromaticContact CD2-NE1 3.42Å; F39-W129 HydrophobicContact CG-CD2 4.35Å; F39-W129 AromaticContact CG-CE2 3.63Å; F39-W129 HydrophobicContact CG-CH2 4.07Å; F39-W129 AromaticContact CG-CZ2 3.48Å; F39-W129 HydrophobicContact CG-CZ2 3.48Å; F39-W129 VanDerWaalsContact CG-CZ2 3.48Å; F39-W129 AromaticContact CG-NE1 3.89Å; F39-W129 PolarHBondContact N-O 3.34Å; F39-W129 PolarHBondContact O-N 3.04Å; L41-W129 HydrophobicContact CB-CZ3 4.02Å; L80-W129 HydrophobicContact CD1-CH2 4Å; L80-W129 HydrophobicContact CD1-CZ2 4.04Å; T94-W129 HydrophobicContact CG2-CZ2 4.17Å; V96-W129 HydrophobicContact CG2-CH2 3.64Å; V96-W129 HydrophobicContact CG2-CZ2 3.89Å; V96-W129 HydrophobicContact CG2-CZ3 4.09Å; I106-W129 HydrophobicContact CD1-CB 3.36Å; I106-W129 HydrophobicContact CD1-CD2 3.81Å; I106-W129 HydrophobicContact CD1-CE3 4.1Å; I106-W129 HydrophobicContact CD1-CG 3.52Å; I106-W129 HydrophobicContact CG1-CD2 4.37Å; I106-W129 HydrophobicContact CG1-CG 4.45Å; I106-W129 HydrophobicContact CG2-CD2 4.47Å; I106-W129 HydrophobicContact CG2-CG 4.38Å; I127-W129 HydrophobicContact CG2-CE3 4.17Å; I127-W129 HydrophobicContact CG2-CZ3 4.42Å; W129-E131 PolarHBondContact NE1-OE1 2.93Å
130	T	94.7	Very high	91.8	Very high	66 Å²	66	48.4 Å²	48.4	41%	0.405	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.3	-179.9	-59.3	0	0	0	0	110	I36 L37 T38	I36-T130 HydrophobicContact CG2-CG2 3.64Å; L37-T130 CarbonylContact O-C 3.45Å; L37-T130 VanDerWaalsContact O-CA 3.26Å; L37-T130 WeakPolarHBondContact O-CA 3.47Å; T38-T130 PolarHBondContact OG1-OG1 2.81Å; T38-T130 VanDerWaalsContact OG1-OG1 3.09Å
131	E	93.9	Very high	92.1	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.1	171.5	-58.5	-167.5	-156.1	0	0	108.6	L37 F39 Y82 T94 W129	L37-E131 PolarHBondContact N-O 3.04Å; L37-E131 PolarHBondContact O-N 3.13Å; F39-E131 HydrophobicContact CD2-CG 4.43Å; F39-E131 HydrophobicContact CE2-CB 4.32Å; F39-E131 HydrophobicContact CE2-CG 4.06Å; Y82-E131 PolarHBondContact OH-OE2 3.28Å; T94-E131 WeakPolarHBondContact CB-OE1 3.42Å; T94-E131 WeakPolarHBondContact CG2-OE1 3.45Å; T94-E131 PolarHBondContact OG1-OE1 2.68Å; W129-E131 PolarHBondContact NE1-OE1 2.93Å
132	Q	93.7	Very high	92.4	Very high	120 Å²	120	44.1 Å²	44.1	56%	0.561	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.1	-179.5	-176.2	176.6	-14	0	0	107.3	D34 I35 I36	D34-Q132 HydrophobicContact CB-CG 3.85Å; D34-Q132 VanDerWaalsContact CG-NE2 3.31Å; D34-Q132 PolarHBondContact OD2-NE2 3.22Å; I35-Q132 WeakPolarHBondContact O-CA 3.22Å; I36-Q132 HydrophobicContact CG1-CG 4.28Å
133	I	91.9	Very high	92.9	Very high	18 Å²	18	39.9 Å²	39.9	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.3	-173.8	-61.4	165.6	0	0	0	107.1	I35 L37 Y82 I84 F92	I35-I133 HydrophobicContact CB-CB 4.46Å; I35-I133 PolarHBondContact N-O 3.36Å; I35-I133 PolarHBondContact O-N 2.65Å; L37-I133 HydrophobicContact CD1-CD1 4.31Å; Y82-I133 HydrophobicContact CE2-CD1 4.14Å; I84-I133 HydrophobicContact CD1-CB 4.41Å; I84-I133 HydrophobicContact CD1-CD1 3.45Å; I84-I133 VanDerWaalsContact CD1-CD1 3.45Å; I84-I133 HydrophobicContact CD1-CG2 4.23Å; F92-I133 HydrophobicContact CD1-CD1 4.07Å; F92-I133 HydrophobicContact CD2-CD1 4.17Å; F92-I133 HydrophobicContact CE1-CD1 3.96Å; F92-I133 HydrophobicContact CE1-CG1 4.27Å; F92-I133 HydrophobicContact CE1-CG2 4.25Å; F92-I133 HydrophobicContact CE2-CD1 4.07Å; F92-I133 HydrophobicContact CE2-CG2 4.4Å; F92-I133 HydrophobicContact CG-CD1 4.18Å; F92-I133 HydrophobicContact CZ-CD1 3.97Å; F92-I133 HydrophobicContact CZ-CG1 4.4Å; F92-I133 HydrophobicContact CZ-CG2 3.73Å
134	P	92.6	Very high	93.3	Very high	91 Å²	91	35.1 Å²	35.1	59%	0.591	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.4	175	28.9	-32.9	0	0	0	109.6	D34	D34-P134 WeakPolarHBondContact OD1-CA 3.37Å; D34-P134 WeakPolarHBondContact OD1-CB 3.5Å
135	I	92.3	Very high	93.5	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.8	177.3	-168.9	169.1	0	0	0	109.6	T33 I35 M85 F90 I137 I141 F145	T33-I135 HydrophobicContact CG2-CG2 3.51Å; T33-I135 PolarHBondContact N-O 2.93Å; T33-I135 WeakPolarHBondContact O-CG2 3.42Å; T33-I135 PolarHBondContact O-N 3.06Å; T33-I135 VanDerWaalsContact O-O 3.05Å; I35-I135 HydrophobicContact CD1-CB 4.45Å; I35-I135 HydrophobicContact CD1-CD1 4.17Å; I35-I135 HydrophobicContact CD1-CG2 3.99Å; I35-I135 HydrophobicContact CG1-CG2 3.92Å; M85-I135 HydrophobicContact SD-CD1 4Å; F90-I135 HydrophobicContact CE1-CD1 4.18Å; F90-I135 HydrophobicContact CE1-CG1 4.46Å; I135-I137 HydrophobicContact CD1-CD1 4.38Å; I135-I137 HydrophobicContact CG1-CD1 4.25Å; I135-I137 HydrophobicContact CG2-CD1 3.68Å; I135-I137 HydrophobicContact CG2-CG1 4.49Å; I135-I141 HydrophobicContact CD1-CD1 3.93Å; I135-I141 HydrophobicContact CD1-CG2 3.94Å; I135-I141 HydrophobicContact CG1-CD1 3.87Å; I135-F145 HydrophobicContact CD1-CE2 4.21Å
136	V	94	Very high	93.6	Very high	67 Å²	67	36.8 Å²	36.8	41%	0.406	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.1	171.9	-180	0	0	0	0	107.1	E30 T138 I141	E30-V136 HydrophobicContact CB-CG1 4.01Å; V136-T138 HydrophobicContact CG1-CG2 4.37Å; V136-T138 PolarHBondContact O-N 2.89Å; V136-I141 WeakPolarHBondContact O-CD1 3.24Å
137	I	94.5	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.3	-179.6	-53.5	-60.2	0	0	0	109.7	E30 H31 T33 I135 I141 I142 L341 Q346	E30-I137 WeakPolarHBondContact CA-O 3.28Å; H31-I137 PolarHBondContact N-O 3.07Å; H31-I137 PolarHBondContact O-N 3.36Å; T33-I137 HydrophobicContact CG2-CD1 3.71Å; T33-I137 HydrophobicContact CG2-CG1 3.55Å; I135-I137 HydrophobicContact CD1-CD1 4.38Å; I135-I137 HydrophobicContact CG1-CD1 4.25Å; I135-I137 HydrophobicContact CG2-CD1 3.68Å; I135-I137 HydrophobicContact CG2-CG1 4.49Å; I137-I141 HydrophobicContact CD1-CG2 3.81Å; I137-I142 HydrophobicContact CG2-CD1 4.03Å; I137-I142 HydrophobicContact CG2-CG1 3.72Å; I137-L341 HydrophobicContact CD1-CD1 3.98Å; I137-L341 VanDerWaalsContact CG2-O 3.3Å; I137-L341 WeakPolarHBondContact CG2-O 3.48Å; I137-Q346 PolarHBondContact O-NE2 3.29Å
138	T	93.8	Very high	93.5	Very high	24 Å²	24	38.2 Å²	38.2	15%	0.147	20%	0.202	C	C	.	.			trans	-109.2	170.9	168.1	74.9	0	0	0	0	109.8	E30 V136 E140 I141 I142	E30-T138 HydrophobicContact CG-CG2 3.83Å; E30-T138 WeakPolarHBondContact OE1-CG2 3.01Å; V136-T138 HydrophobicContact CG1-CG2 4.37Å; V136-T138 PolarHBondContact O-N 2.89Å; T138-E140 PolarHBondContact O-N 3.18Å; T138-E140 PolarHBondContact OG1-N 3.44Å; T138-I141 WeakPolarHBondContact O-CB 3.09Å; T138-I141 PolarHBondContact O-N 2.6Å; T138-I141 WeakPolarHBondContact OG1-CG1 3.04Å; T138-I141 PolarHBondContact OG1-N 3.07Å; T138-I142 PolarHBondContact O-N 3.04Å; T138-I142 VanDerWaalsContact O-N 3.07Å
139	D	94	Very high	93.3	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-56.3	-38	174.3	-71.6	-9.7	0	0	0	113.2	I141 I142 I143 K349 F350	D139-I141 VanDerWaalsContact C-N 3.32Å; D139-I141 PolarHBondContact O-N 3.07Å; D139-I142 PolarHBondContact O-N 2.78Å; D139-I143 WeakPolarHBondContact O-CG1 3.4Å; D139-I143 PolarHBondContact O-N 2.72Å; D139-I143 VanDerWaalsContact O-N 3.11Å; D139-K349 VanDerWaalsContact OD2-CE 3.26Å; D139-K349 WeakPolarHBondContact OD2-CE 3.27Å; D139-K349 IonicContact OD2-NZ 3.9Å; D139-K349 PolarHBondContact OD2-NZ 2.88Å; D139-F350 HydrophobicContact CB-CE2 4.08Å; D139-F350 HydrophobicContact CB-CZ 3.82Å; D139-F350 WeakPolarHBondContact OD1-CE2 3.47Å
140	E	92.2	Very high	93.1	Very high	128 Å²	128	38.1 Å²	38.1	60%	0.598	20%	0.201	S	C	*	.	H	α-helix	trans	-63.4	-40	175.6	-63.3	-174.3	178.8	0	0	111.5	T138 I142 I143 D144	T138-E140 PolarHBondContact O-N 3.18Å; T138-E140 PolarHBondContact OG1-N 3.44Å; E140-I142 VanDerWaalsContact C-N 3.32Å; E140-I142 PolarHBondContact O-N 2.82Å; E140-I143 PolarHBondContact O-N 3.12Å; E140-D144 WeakPolarHBondContact O-CB 3.16Å; E140-D144 PolarHBondContact O-N 2.86Å
141	I	92.3	Very high	92.7	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-38.6	177.8	-60	-140.2	0	0	0	110.7	M85 I135 V136 I137 T138 D139 I143 D144 F145	M85-I141 HydrophobicContact CE-CB 3.95Å; M85-I141 HydrophobicContact CE-CD1 3.95Å; M85-I141 HydrophobicContact CE-CG1 3.86Å; M85-I141 HydrophobicContact CE-CG2 3.77Å; M85-I141 HydrophobicContact SD-CD1 4Å; M85-I141 HydrophobicContact SD-CG2 4.39Å; I135-I141 HydrophobicContact CD1-CD1 3.93Å; I135-I141 HydrophobicContact CD1-CG2 3.94Å; I135-I141 HydrophobicContact CG1-CD1 3.87Å; V136-I141 WeakPolarHBondContact O-CD1 3.24Å; I137-I141 HydrophobicContact CD1-CG2 3.81Å; T138-I141 WeakPolarHBondContact O-CB 3.09Å; T138-I141 PolarHBondContact O-N 2.6Å; T138-I141 WeakPolarHBondContact OG1-CG1 3.04Å; T138-I141 PolarHBondContact OG1-N 3.07Å; D139-I141 VanDerWaalsContact C-N 3.32Å; D139-I141 PolarHBondContact O-N 3.07Å; I141-I143 VanDerWaalsContact C-N 3.35Å; I141-D144 PolarHBondContact O-N 3.14Å; I141-F145 HydrophobicContact CG2-CD2 3.75Å; I141-F145 HydrophobicContact CG2-CE2 3.77Å; I141-F145 WeakPolarHBondContact O-CD2 3.15Å; I141-F145 PolarHBondContact O-N 2.94Å
142	I	94.6	Very high	92.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.8	-67.8	163.4	0	0	0	110.6	I137 T138 D139 E140 D144 F145 W146 F290 M342 Q346 F350	I137-I142 HydrophobicContact CG2-CD1 4.03Å; I137-I142 HydrophobicContact CG2-CG1 3.72Å; T138-I142 PolarHBondContact O-N 3.04Å; T138-I142 VanDerWaalsContact O-N 3.07Å; D139-I142 PolarHBondContact O-N 2.78Å; E140-I142 VanDerWaalsContact C-N 3.32Å; E140-I142 PolarHBondContact O-N 2.82Å; I142-D144 VanDerWaalsContact C-N 3.34Å; I142-D144 PolarHBondContact O-N 3.33Å; I142-F145 PolarHBondContact O-N 3.33Å; I142-W146 WeakPolarHBondContact O-CB 2.95Å; I142-W146 PolarHBondContact O-N 2.84Å; I142-F290 HydrophobicContact CG2-CE1 3.88Å; I142-M342 HydrophobicContact CD1-CG 3.77Å; I142-M342 HydrophobicContact CG1-CG 4.1Å; I142-M342 HydrophobicContact CG2-CG 4.19Å; I142-M342 HydrophobicContact CG2-SD 4.21Å; I142-Q346 HydrophobicContact CD1-CB 3.98Å; I142-Q346 VanDerWaalsContact CD1-CD 3.48Å; I142-Q346 HydrophobicContact CD1-CG 3.99Å; I142-F350 HydrophobicContact CB-CE2 3.98Å; I142-F350 HydrophobicContact CB-CZ 4.1Å; I142-F350 HydrophobicContact CD1-CD2 3.93Å; I142-F350 HydrophobicContact CD1-CE2 3.53Å; I142-F350 HydrophobicContact CD1-CZ 4.43Å; I142-F350 HydrophobicContact CG1-CE2 4.36Å; I142-F350 HydrophobicContact CG2-CD1 4.38Å; I142-F350 HydrophobicContact CG2-CD2 3.94Å; I142-F350 HydrophobicContact CG2-CE1 4.29Å; I142-F350 HydrophobicContact CG2-CE2 3.85Å; I142-F350 HydrophobicContact CG2-CG 4.21Å; I142-F350 HydrophobicContact CG2-CZ 4.02Å
143	I	94	Very high	92.1	Very high	45 Å²	45	31.5 Å²	31.5	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-40.4	176.6	-65.1	165.1	0	0	0	110.8	D139 E140 I141 W146 N147 F350 Y415	D139-I143 WeakPolarHBondContact O-CG1 3.4Å; D139-I143 PolarHBondContact O-N 2.72Å; D139-I143 VanDerWaalsContact O-N 3.11Å; E140-I143 PolarHBondContact O-N 3.12Å; I141-I143 VanDerWaalsContact C-N 3.35Å; I143-W146 WeakPolarHBondContact O-CB 3.31Å; I143-W146 PolarHBondContact O-N 3.4Å; I143-N147 VanDerWaalsContact O-CG 3.3Å; I143-N147 PolarHBondContact O-N 3.48Å; I143-N147 PolarHBondContact O-ND2 3.12Å; I143-F350 HydrophobicContact CD1-CE1 4.22Å; I143-F350 HydrophobicContact CD1-CZ 4.42Å; I143-F350 HydrophobicContact CG1-CE1 3.86Å; I143-F350 HydrophobicContact CG1-CZ 4.18Å; I143-Y415 HydrophobicContact CD1-CE2 4.4Å; I143-Y415 WeakPolarHBondContact CD1-OH 3.46Å
144	D	92.9	Very high	92.2	Very high	28 Å²	28	30.8 Å²	30.8	15%	0.15	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-44.4	176.1	-79.4	-23.6	0	0	0	111.7	M85 K87 E140 I141 I142 W146 N147 L148	M85-D144 HydrophobicContact CE-CB 3.34Å; M85-D144 WeakPolarHBondContact CE-OD2 3.46Å; K87-D144 VanDerWaalsContact CE-OD2 3.28Å; K87-D144 WeakPolarHBondContact CE-OD2 3.49Å; K87-D144 IonicContact NZ-OD2 3.61Å; K87-D144 PolarHBondContact NZ-OD2 3.42Å; E140-D144 WeakPolarHBondContact O-CB 3.16Å; E140-D144 PolarHBondContact O-N 2.86Å; I141-D144 PolarHBondContact O-N 3.14Å; I142-D144 VanDerWaalsContact C-N 3.34Å; I142-D144 PolarHBondContact O-N 3.33Å; D144-W146 VanDerWaalsContact C-N 3.3Å; D144-W146 PolarHBondContact O-N 3.34Å; D144-N147 PolarHBondContact O-N 2.95Å; D144-L148 WeakPolarHBondContact O-CG 3.3Å; D144-L148 PolarHBondContact O-N 3.03Å
145	F	94	Very high	92.2	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-39.8	172.2	-90.6	-73.3	0	0	0	111.9	I35 I84 I135 I141 I142 L148 T149 I154 T286 L289 F290 L341	I35-F145 HydrophobicContact CD1-CZ 4.02Å; I84-F145 HydrophobicContact CG2-CZ 4.03Å; I135-F145 HydrophobicContact CD1-CE2 4.21Å; I141-F145 HydrophobicContact CG2-CD2 3.75Å; I141-F145 HydrophobicContact CG2-CE2 3.77Å; I141-F145 WeakPolarHBondContact O-CD2 3.15Å; I141-F145 PolarHBondContact O-N 2.94Å; I142-F145 PolarHBondContact O-N 3.33Å; F145-L148 WeakPolarHBondContact O-CB 3.49Å; F145-L148 PolarHBondContact O-N 2.75Å; F145-T149 VanDerWaalsContact O-CG2 3.31Å; F145-T149 WeakPolarHBondContact O-CG2 3.37Å; F145-T149 PolarHBondContact O-N 2.89Å; F145-I154 HydrophobicContact CE1-CD1 4.13Å; F145-T286 HydrophobicContact CD1-CG2 3.94Å; F145-T286 HydrophobicContact CE1-CG2 4.18Å; F145-L289 HydrophobicContact CD1-CD1 3.98Å; F145-L289 HydrophobicContact CE1-CD1 3.82Å; F145-F290 HydrophobicContact CB-CE2 4.04Å; F145-F290 HydrophobicContact CB-CZ 3.87Å; F145-L341 HydrophobicContact CB-CD2 4.09Å; F145-L341 HydrophobicContact CD2-CD1 3.63Å; F145-L341 HydrophobicContact CE2-CD1 3.91Å; F145-L341 HydrophobicContact CG-CD1 4.15Å; F145-L341 HydrophobicContact CG-CD2 4.28Å
146	W	94.7	Very high	92.4	Very high	45 Å²	45	28.4 Å²	28.4	17%	0.17	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-44.1	177.1	177.8	72.5	0	0	0	111.4	I142 I143 D144 L148 T149 Q150 F290 W391 V411 L413	I142-W146 WeakPolarHBondContact O-CB 2.95Å; I142-W146 PolarHBondContact O-N 2.84Å; I143-W146 WeakPolarHBondContact O-CB 3.31Å; I143-W146 PolarHBondContact O-N 3.4Å; D144-W146 VanDerWaalsContact C-N 3.3Å; D144-W146 PolarHBondContact O-N 3.34Å; W146-L148 VanDerWaalsContact C-N 3.26Å; W146-L148 PolarHBondContact O-N 3.17Å; W146-T149 WeakPolarHBondContact O-CA 3.43Å; W146-T149 WeakPolarHBondContact O-CB 3.48Å; W146-T149 PolarHBondContact O-N 2.81Å; W146-T149 PolarHBondContact O-OG1 3.4Å; W146-Q150 HydrophobicContact CD2-CG 4.49Å; W146-Q150 HydrophobicContact CZ2-CG 4.4Å; W146-Q150 PolarHBondContact O-N 3.34Å; W146-Q150 VanDerWaalsContact O-N 3.14Å; W146-F290 HydrophobicContact CB-CE1 4.21Å; W146-F290 HydrophobicContact CB-CZ 3.75Å; W146-W391 AromaticContact CZ2-CD1 3.8Å; W146-W391 AromaticContact CZ2-NE1 3.68Å; W146-V411 PolarHBondContact NE1-O 3.11Å; W146-L413 HydrophobicContact CB-CD1 3.73Å; W146-L413 HydrophobicContact CB-CG 4.39Å; W146-L413 HydrophobicContact CD2-CD1 3.89Å; W146-L413 HydrophobicContact CD2-CG 4.11Å; W146-L413 HydrophobicContact CE3-CD1 4.45Å; W146-L413 HydrophobicContact CG-CD1 3.55Å; W146-L413 HydrophobicContact CG-CG 3.79Å
147	N	92.5	Very high	92.4	Very high	58 Å²	58	27.7 Å²	27.7	31%	0.31	14%	0.139	S	C	.	.	H	α-helix	trans	-59.5	-36.4	173.3	-72.2	-34.9	0	0	0	112.3	I143 D144 Q150 T151	I143-N147 VanDerWaalsContact O-CG 3.3Å; I143-N147 PolarHBondContact O-N 3.48Å; I143-N147 PolarHBondContact O-ND2 3.12Å; D144-N147 PolarHBondContact O-N 2.95Å; N147-Q150 PolarHBondContact O-N 3.12Å; N147-T151 PolarHBondContact O-N 3.32Å; N147-T151 PolarHBondContact O-OG1 2.87Å; N147-T151 VanDerWaalsContact O-OG1 3.1Å
148	L	91.9	Very high	92.4	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-40.9	171.5	-71.8	170.8	0	0	0	111.6	I84 D144 F145 W146 Q150 T151 G152 G153 I154	I84-L148 WeakPolarHBondContact O-CD1 3.34Å; D144-L148 WeakPolarHBondContact O-CG 3.3Å; D144-L148 PolarHBondContact O-N 3.03Å; F145-L148 WeakPolarHBondContact O-CB 3.49Å; F145-L148 PolarHBondContact O-N 2.75Å; W146-L148 VanDerWaalsContact C-N 3.26Å; W146-L148 PolarHBondContact O-N 3.17Å; L148-Q150 PolarHBondContact O-N 2.8Å; L148-T151 CarbonylContact O-C 3.53Å; L148-T151 PolarHBondContact O-N 3.17Å; L148-T151 PolarHBondContact O-OG1 3.04Å; L148-G152 PolarHBondContact O-N 3Å; L148-G153 WeakPolarHBondContact O-CA 3.39Å; L148-G153 PolarHBondContact O-N 2.85Å; L148-I154 HydrophobicContact CD1-CG1 4.13Å
149	T	91.2	Very high	92.5	Very high	10 Å²	10	26.9 Å²	26.9	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-40.7	174.7	75.3	0	0	0	0	111.7	F145 W146 T151 G152 T286 F290	F145-T149 VanDerWaalsContact O-CG2 3.31Å; F145-T149 WeakPolarHBondContact O-CG2 3.37Å; F145-T149 PolarHBondContact O-N 2.89Å; W146-T149 WeakPolarHBondContact O-CA 3.43Å; W146-T149 WeakPolarHBondContact O-CB 3.48Å; W146-T149 PolarHBondContact O-N 2.81Å; W146-T149 PolarHBondContact O-OG1 3.4Å; T149-T151 PolarHBondContact O-N 3.01Å; T149-G152 PolarHBondContact O-N 3.04Å; T149-T286 WeakPolarHBondContact CG2-OG1 3.47Å; T149-T286 PolarHBondContact N-OG1 2.9Å; T149-F290 HydrophobicContact CG2-CD2 3.99Å; T149-F290 HydrophobicContact CG2-CE2 3.62Å
150	Q	88.6	Confident	92.4	Very high	42 Å²	42	27 Å²	27	20%	0.196	13%	0.134	C	C	.	.	H	α-helix	trans	-69.7	-16.3	179.4	-56.6	-53.1	-35.2	0	0	113.3	W146 N147 L148 H393 V411	W146-Q150 HydrophobicContact CD2-CG 4.49Å; W146-Q150 HydrophobicContact CZ2-CG 4.4Å; W146-Q150 PolarHBondContact O-N 3.34Å; W146-Q150 VanDerWaalsContact O-N 3.14Å; N147-Q150 PolarHBondContact O-N 3.12Å; L148-Q150 PolarHBondContact O-N 2.8Å; Q150-H393 PolarHBondContact OE1-ND1 3.46Å; Q150-V411 PolarHBondContact NE2-O 3.46Å; Q150-V411 VanDerWaalsContact NE2-O 3.15Å
151	T	87.2	Confident	92.3	Very high	51 Å²	51	23.9 Å²	23.9	31%	0.313	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	20.7	-178.2	59.5	0	0	0	0	113	N147 L148 T149 R155	N147-T151 PolarHBondContact O-N 3.32Å; N147-T151 PolarHBondContact O-OG1 2.87Å; N147-T151 VanDerWaalsContact O-OG1 3.1Å; L148-T151 CarbonylContact O-C 3.53Å; L148-T151 PolarHBondContact O-N 3.17Å; L148-T151 PolarHBondContact O-OG1 3.04Å; T149-T151 PolarHBondContact O-N 3.01Å; T151-R155 PolarHBondContact O-NH2 2.97Å
152	G	84.3	Confident	92.2	Very high	11 Å²	11	28 Å²	28	11%	0.113	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-21.9	173.9	0	0	0	0	0	115	L148 T149 V283	L148-G152 PolarHBondContact O-N 3Å; T149-G152 PolarHBondContact O-N 3.04Å; G152-V283 WeakPolarHBondContact O-CG1 3.45Å
153	G	91.5	Very high	92.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	114.7	-159.5	178.7	0	0	0	0	0	113.9	L148 L284	L148-G153 WeakPolarHBondContact O-CA 3.39Å; L148-G153 PolarHBondContact O-N 2.85Å; G153-L284 CarbonylContact C-O 3.51Å; G153-L284 WeakPolarHBondContact CA-O 3.14Å
154	I	93.7	Very high	92	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.6	-179.1	-69.9	164.9	0	0	0	109.3	I84 F145 L148 V283 L284 T286 M335	I84-I154 HydrophobicContact CG2-CD1 4.36Å; F145-I154 HydrophobicContact CE1-CD1 4.13Å; L148-I154 HydrophobicContact CD1-CG1 4.13Å; I154-V283 CarbonylContact O-C 3.58Å; I154-V283 WeakPolarHBondContact O-CA 3.47Å; I154-L284 HydrophobicContact CB-CB 4.27Å; I154-L284 PolarHBondContact N-O 2.92Å; I154-L284 PolarHBondContact O-N 3.22Å; I154-T286 HydrophobicContact CB-CG2 4.43Å; I154-T286 HydrophobicContact CD1-CG2 3.64Å; I154-T286 HydrophobicContact CG1-CG2 3.66Å; I154-M335 HydrophobicContact CD1-CE 4.45Å; I154-M335 HydrophobicContact CD1-SD 3.83Å
155	R	93.2	Very high	92	Very high	46 Å²	46	31.3 Å²	31.3	17%	0.174	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130	-180	-84.7	168.4	-115.9	134	-0.7	111.1	Y82 T151 L282 V283 P316	Y82-R155 WeakPolarHBondContact CA-O 3.2Å; Y82-R155 WeakPolarHBondContact CB-O 2.9Å; T151-R155 PolarHBondContact O-NH2 2.97Å; R155-L282 CarbonylContact C-O 3.58Å; R155-L282 WeakPolarHBondContact CA-O 3.17Å; R155-V283 HydrophobicContact CG-CG2 3.84Å; R155-P316 PolarHBondContact NE-O 3.31Å
156	I	95	Very high	91.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.8	175.6	-50.4	175.7	0	0	0	107.7	F39 L80 E81 Y82 C281 L282 L284 V333	F39-I156 HydrophobicContact CE1-CD1 4.21Å; F39-I156 HydrophobicContact CE1-CG2 4.29Å; L80-I156 HydrophobicContact CD2-CG2 4.16Å; E81-I156 CarbonylContact O-C 3.51Å; Y82-I156 HydrophobicContact CD1-CG2 4.34Å; Y82-I156 HydrophobicContact CG-CG1 4.42Å; I156-C281 CarbonylContact O-C 3.6Å; I156-C281 WeakPolarHBondContact O-CA 3.44Å; I156-L282 HydrophobicContact CB-CB 4.25Å; I156-L282 PolarHBondContact N-O 3.42Å; I156-L282 PolarHBondContact O-N 2.77Å; I156-L284 HydrophobicContact CD1-CD1 3.75Å; I156-L284 HydrophobicContact CD1-CG 4.37Å; I156-V333 HydrophobicContact CD1-CB 3.81Å; I156-V333 HydrophobicContact CD1-CG1 3.59Å; I156-V333 HydrophobicContact CD1-CG2 3.79Å
157	K	94.7	Very high	91.6	Very high	51 Å²	51	37 Å²	37	22%	0.222	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.2	177.7	-55.8	177.1	-174	-178.3	0	109	L80 E81 W159 S276 W277	L80-K157 CarbonylContact C-O 3.56Å; L80-K157 VanDerWaalsContact CA-O 3.31Å; L80-K157 WeakPolarHBondContact CA-O 3.35Å; E81-K157 PolarHBondContact N-O 3.23Å; E81-K157 PolarHBondContact O-N 2.91Å; K157-W159 HydrophobicContact CB-CE3 4.24Å; K157-W159 HydrophobicContact CB-CH2 3.41Å; K157-W159 VanDerWaalsContact CB-CH2 3.41Å; K157-W159 HydrophobicContact CB-CZ2 4.22Å; K157-W159 HydrophobicContact CB-CZ3 3.41Å; K157-W159 VanDerWaalsContact CB-CZ3 3.41Å; K157-W159 HydrophobicContact CD-CH2 3.56Å; K157-W159 HydrophobicContact CD-CZ2 4.24Å; K157-W159 HydrophobicContact CD-CZ3 4.33Å; K157-W159 HydrophobicContact CG-CH2 4.18Å; K157-S276 WeakPolarHBondContact CD-O 3.1Å; K157-S276 VanDerWaalsContact CE-O 3.3Å; K157-S276 WeakPolarHBondContact CE-O 3.17Å; K157-S276 PolarHBondContact NZ-O 2.98Å; K157-W277 WeakPolarHBondContact CB-O 3.43Å; K157-W277 HydrophobicContact CD-CE3 4.49Å; K157-W277 HydrophobicContact CG-CE3 4.45Å
158	C	95.4	Very high	91.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.7	-173.7	-54.4	0	0	0	0	109.7	H79 G278 T279 C280 F328 I331	H79-C158 WeakPolarHBondContact O-CA 3.49Å; C158-G278 CarbonylContact O-C 3.46Å; C158-G278 WeakPolarHBondContact O-CA 3.36Å; C158-T279 WeakPolarHBondContact O-CB 3.49Å; C158-T279 PolarHBondContact O-N 3.1Å; C158-C280 WeakPolarHBondContact CB-O 3.19Å; C158-C280 VanDerWaalsContact CB-SG 3.6Å; C158-C280 PolarHBondContact N-O 2.7Å; C158-C280 PolarHBondContact O-N 2.72Å; C158-F328 HydrophobicContact CB-CE1 4.39Å; C158-F328 HydrophobicContact CB-CE2 4.07Å; C158-F328 HydrophobicContact CB-CZ 3.76Å; C158-I331 HydrophobicContact CB-CD1 4.48Å
159	W	94.9	Very high	91.3	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149	172.4	-62.4	-98	0	0	0	110.2	F78 H79 E81 K157 K164 V274 G278 F328	F78-W159 CarbonylContact C-O 3.51Å; F78-W159 VanDerWaalsContact CA-O 3.25Å; F78-W159 WeakPolarHBondContact CA-O 3.43Å; H79-W159 HydrophobicContact CB-CB 4.41Å; H79-W159 AromaticContact CD2-CE3 3.5Å; H79-W159 AromaticContact CD2-CZ3 3.7Å; H79-W159 PolarHBondContact N-O 3.01Å; H79-W159 PolarHBondContact O-N 3.4Å; E81-W159 HydrophobicContact CB-CH2 4.29Å; E81-W159 HydrophobicContact CB-CZ3 3.73Å; E81-W159 WeakPolarHBondContact OE2-CH2 3.24Å; K157-W159 HydrophobicContact CB-CE3 4.24Å; K157-W159 HydrophobicContact CB-CH2 3.41Å; K157-W159 VanDerWaalsContact CB-CH2 3.41Å; K157-W159 HydrophobicContact CB-CZ2 4.22Å; K157-W159 HydrophobicContact CB-CZ3 3.41Å; K157-W159 VanDerWaalsContact CB-CZ3 3.41Å; K157-W159 HydrophobicContact CD-CH2 3.56Å; K157-W159 HydrophobicContact CD-CZ2 4.24Å; K157-W159 HydrophobicContact CD-CZ3 4.33Å; K157-W159 HydrophobicContact CG-CH2 4.18Å; W159-K164 HydrophobicContact CB-CB 4.11Å; W159-K164 HydrophobicContact CB-CG 3.85Å; W159-K164 HydrophobicContact CD2-CG 4.48Å; W159-K164 HydrophobicContact CG-CB 4.37Å; W159-K164 HydrophobicContact CG-CD 4.28Å; W159-K164 HydrophobicContact CG-CG 3.81Å; W159-V274 PolarHBondContact NE1-O 2.73Å; W159-G278 VanDerWaalsContact CE2-CA 3.45Å; W159-F328 WeakPolarHBondContact O-CZ 3.36Å
160	D	92.5	Very high	91.1	Very high	18 Å²	18	44 Å²	44	10%	0.096	21%	0.214	C	C	.	.			trans	-114	18.2	175.5	59.5	-19.9	0	0	0	113.1	Y77 F78 T279 S326 N327 F328	Y77-D160 CarbonylContact O-C 3.59Å; Y77-D160 VanDerWaalsContact O-CA 3.28Å; Y77-D160 WeakPolarHBondContact O-CA 3.31Å; Y77-D160 VanDerWaalsContact O-O 3.1Å; F78-D160 HydrophobicContact CD1-CB 3.78Å; F78-D160 HydrophobicContact CE1-CB 3.8Å; D160-T279 PolarHBondContact OD1-OG1 3.17Å; D160-S326 WeakPolarHBondContact OD2-CA 2.98Å; D160-S326 VanDerWaalsContact OD2-CB 3.3Å; D160-S326 WeakPolarHBondContact OD2-CB 3.48Å; D160-N327 HydrophobicContact CB-CB 3.86Å; D160-N327 PolarHBondContact OD2-N 2.97Å; D160-F328 HydrophobicContact CB-CD2 3.95Å; D160-F328 HydrophobicContact CB-CE2 3.64Å; D160-F328 HydrophobicContact CB-CZ 4.34Å
161	Q	89.7	Confident	91	Very high	62 Å²	62	48.8 Å²	48.8	29%	0.29	23%	0.234	S	C	.	.			trans	-99.8	129.5	-177.4	-64.5	179.2	-17.1	0	0	110.8	D163 K164	Q161-D163 WeakPolarHBondContact CB-OD1 3.41Å; Q161-D163 PolarHBondContact O-N 2.94Å; Q161-K164 HydrophobicContact CB-CG 4.09Å; Q161-K164 PolarHBondContact O-N 2.75Å
162	R	90.4	Very high	90.8	Very high	101 Å²	101	48.4 Å²	48.4	38%	0.381	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.5	-37.8	-178.4	178.6	177.8	178.3	-108.3	-2.9	112.6	Y77 K164 C165 R170	Y77-R162 HydrophobicContact CD1-CG 4.05Å; Y77-R162 HydrophobicContact CD2-CB 3.82Å; Y77-R162 HydrophobicContact CD2-CG 3.82Å; Y77-R162 HydrophobicContact CE1-CG 4.22Å; Y77-R162 HydrophobicContact CE2-CB 4.4Å; Y77-R162 HydrophobicContact CE2-CG 3.96Å; Y77-R162 HydrophobicContact CG-CB 3.9Å; Y77-R162 HydrophobicContact CG-CG 3.86Å; R162-K164 VanDerWaalsContact C-N 3.26Å; R162-K164 PolarHBondContact O-N 3.14Å; R162-C165 WeakPolarHBondContact O-CB 3.29Å; R162-C165 PolarHBondContact O-N 2.99Å; R162-R170 HydrophobicContact CG-CG 3.98Å; R162-R170 PolarHBondContact NH2-O 3.41Å; R162-R170 WeakPolarHBondContact O-CD 3.47Å; R162-R170 VanDerWaalsContact O-CG 3.25Å; R162-R170 WeakPolarHBondContact O-CG 3.49Å
163	D	91.6	Very high	90.5	Very high	98 Å²	98	54.3 Å²	54.3	52%	0.524	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-68.5	-19.7	-176.3	54.9	-65.8	0	0	0	114.4	Q161	Q161-D163 WeakPolarHBondContact CB-OD1 3.41Å; Q161-D163 PolarHBondContact O-N 2.94Å
164	K	92.9	Very high	89.5	Confident	43 Å²	43	56.8 Å²	56.8	19%	0.187	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74.9	-28.5	172.6	-62.4	-66.5	-179.7	179.8	0	113.1	H79 W159 Q161 R162 E275	H79-K164 HydrophobicContact CB-CB 3.93Å; W159-K164 HydrophobicContact CB-CB 4.11Å; W159-K164 HydrophobicContact CB-CG 3.85Å; W159-K164 HydrophobicContact CD2-CG 4.48Å; W159-K164 HydrophobicContact CG-CB 4.37Å; W159-K164 HydrophobicContact CG-CD 4.28Å; W159-K164 HydrophobicContact CG-CG 3.81Å; Q161-K164 HydrophobicContact CB-CG 4.09Å; Q161-K164 PolarHBondContact O-N 2.75Å; R162-K164 VanDerWaalsContact C-N 3.26Å; R162-K164 PolarHBondContact O-N 3.14Å; K164-E275 IonicContact NZ-OE1 3.08Å; K164-E275 PolarHBondContact NZ-OE1 3.06Å; K164-E275 IonicContact NZ-OE2 3.19Å; K164-E275 PolarHBondContact NZ-OE2 2.92Å
165	C	91.8	Very high	88	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.014	31%	0.306	C	S	.	.	S	Bend	trans	-67	152.5	176.8	-60.4	0	0	0	0	112.1	F78 D95 R162 T169 R170	F78-C165 PolarHBondContact O-SG 3.49Å; F78-C165 VanDerWaalsContact O-SG 3.42Å; D95-C165 HydrophobicContact CB-CB 4.36Å; D95-C165 WeakPolarHBondContact OD1-CA 3.39Å; R162-C165 WeakPolarHBondContact O-CB 3.29Å; R162-C165 PolarHBondContact O-N 2.99Å; C165-T169 HydrophobicContact CB-CG2 4.24Å; C165-R170 HydrophobicContact CB-CG 4.03Å; C165-R170 PolarHBondContact O-NE 2.98Å; C165-R170 VanDerWaalsContact O-NE 3.16Å
166	S	91.6	Very high	85.8	Confident	53 Å²	53	70.7 Å²	70.7	37%	0.371	33%	0.334	S	S	.	.			trans	-56.9	153.2	176.4	71.8	0	0	0	0	111.9	D95 Q168 T169 R170	D95-S166 WeakPolarHBondContact OD2-CB 3.23Å; D95-S166 PolarHBondContact OD2-N 3.42Å; D95-S166 PolarHBondContact OD2-OG 2.87Å; S166-Q168 PolarHBondContact O-N 2.76Å; S166-T169 PolarHBondContact O-N 3.47Å; S166-T169 WeakPolarHBondContact OG-CB 3.28Å; S166-T169 PolarHBondContact OG-N 3.45Å; S166-T169 PolarHBondContact OG-OG1 2.97Å; S166-R170 WeakPolarHBondContact O-CG 3.49Å; S166-R170 PolarHBondContact O-N 2.74Å
167	I	88.8	Confident	83.3	Confident	113 Å²	113	75 Å²	75	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-55.4	-43.5	178.1	-66.2	168.8	0	0	0	110.1	T169 R170 F171	I167-T169 PolarHBondContact O-N 3.4Å; I167-R170 VanDerWaalsContact CG1-NH2 3.31Å; I167-R170 PolarHBondContact O-N 2.8Å; I167-F171 HydrophobicContact CG2-CD2 3.81Å; I167-F171 HydrophobicContact CG2-CE2 3.93Å; I167-F171 WeakPolarHBondContact O-CD2 3.35Å; I167-F171 PolarHBondContact O-N 3.3Å
168	Q	88	Confident	80.5	Confident	156 Å²	156	78.4 Å²	78.4	73%	0.729	38%	0.381	S	S	*	.	H	α-helix	trans	-58.8	-48.8	179.1	-176	175.7	-2.5	0	0	111.7	S166 R170 F171 D172	S166-Q168 PolarHBondContact O-N 2.76Å; Q168-R170 PolarHBondContact O-N 3.49Å; Q168-F171 PolarHBondContact O-N 3.43Å; Q168-D172 PolarHBondContact O-N 3.47Å; Q168-D172 VanDerWaalsContact O-N 3.09Å
169	T	89.8	Confident	77.6	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.006	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-42.9	178.4	-58.4	0	0	0	0	112.2	D95 V97 Y107 C165 S166 I167 F171 D172	D95-T169 HydrophobicContact CB-CG2 3.7Å; D95-T169 VanDerWaalsContact OD2-CB 3.27Å; D95-T169 WeakPolarHBondContact OD2-CB 3.06Å; D95-T169 PolarHBondContact OD2-OG1 3.06Å; V97-T169 HydrophobicContact CG2-CG2 3.2Å; Y107-T169 HydrophobicContact CD2-CG2 3.7Å; Y107-T169 HydrophobicContact CE2-CG2 3.79Å; Y107-T169 HydrophobicContact CG-CG2 4.23Å; C165-T169 HydrophobicContact CB-CG2 4.24Å; S166-T169 PolarHBondContact O-N 3.47Å; S166-T169 WeakPolarHBondContact OG-CB 3.28Å; S166-T169 PolarHBondContact OG-N 3.45Å; S166-T169 PolarHBondContact OG-OG1 2.97Å; I167-T169 PolarHBondContact O-N 3.4Å; T169-F171 PolarHBondContact O-N 3.36Å; T169-D172 PolarHBondContact O-N 3.01Å
170	R	88.4	Confident	74.5	Confident	63 Å²	63	91.9 Å²	91.9	24%	0.238	45%	0.454	C	S	.	.	H	α-helix	trans	-62.1	-28.5	-178	-76.9	-171	-76.9	-177.9	-6.6	114.2	R162 C165 S166 I167 Q168	R162-R170 HydrophobicContact CG-CG 3.98Å; R162-R170 PolarHBondContact NH2-O 3.41Å; R162-R170 WeakPolarHBondContact O-CD 3.47Å; R162-R170 VanDerWaalsContact O-CG 3.25Å; R162-R170 WeakPolarHBondContact O-CG 3.49Å; C165-R170 HydrophobicContact CB-CG 4.03Å; C165-R170 PolarHBondContact O-NE 2.98Å; C165-R170 VanDerWaalsContact O-NE 3.16Å; S166-R170 WeakPolarHBondContact O-CG 3.49Å; S166-R170 PolarHBondContact O-N 2.74Å; I167-R170 VanDerWaalsContact CG1-NH2 3.31Å; I167-R170 PolarHBondContact O-N 2.8Å; Q168-R170 PolarHBondContact O-N 3.49Å
171	F	86	Confident	71.7	Confident	142 Å²	142	95 Å²	95	62%	0.623	48%	0.477	S	S	*	.	H	α-helix	trans	-105.9	-5.2	-177.2	-68.6	-70.1	0	0	0	113.5	I167 Q168 T169	I167-F171 HydrophobicContact CG2-CD2 3.81Å; I167-F171 HydrophobicContact CG2-CE2 3.93Å; I167-F171 WeakPolarHBondContact O-CD2 3.35Å; I167-F171 PolarHBondContact O-N 3.3Å; Q168-F171 PolarHBondContact O-N 3.43Å; T169-F171 PolarHBondContact O-N 3.36Å
172	D	83.3	Confident	68.9	Low	43 Å²	43	99.6 Å²	99.6	23%	0.23	50%	0.503	C	S	.	.			trans	-68.2	139.1	172.7	-162.7	16	0	0	0	110.4	K105 Y107 Q168 T169	K105-D172 IonicContact NZ-OD2 2.71Å; K105-D172 PolarHBondContact NZ-OD2 2.95Å; Y107-D172 HydrophobicContact CE1-CB 4.36Å; Y107-D172 WeakPolarHBondContact CE1-OD2 3.46Å; Y107-D172 WeakPolarHBondContact OH-CB 3.42Å; Y107-D172 PolarHBondContact OH-OD2 2.96Å; Q168-D172 PolarHBondContact O-N 3.47Å; Q168-D172 VanDerWaalsContact O-N 3.09Å; T169-D172 PolarHBondContact O-N 3.01Å
173	R	78	Confident	66.1	Low	135 Å²	135	103.4 Å²	103.4	51%	0.509	52%	0.523	S	S	.	.			trans	-128.8	139.7	179.7	-63.6	-62.6	-171.4	-165.9	4.8	107.9	F75 R175	F75-R173 VanDerWaalsContact CE2-NH1 3.28Å; R173-R175 PolarHBondContact O-N 3.48Å
174	P	70.1	Confident	63.2	Low	54 Å²	54	107.4 Å²	107.4	35%	0.351	54%	0.538	S	S	.	.			trans	-62.2	115.7	177	25.8	-29.4	0	0	0	107.3	F75 F99 S176	F75-P174 HydrophobicContact CZ-CG 4.43Å; F99-P174 HydrophobicContact CB-CG 4.23Å; F99-P174 HydrophobicContact CD1-CG 3.85Å; F99-P174 HydrophobicContact CD2-CB 4.34Å; F99-P174 HydrophobicContact CD2-CG 4.49Å; F99-P174 HydrophobicContact CE1-CG 4.31Å; F99-P174 HydrophobicContact CG-CB 4.26Å; F99-P174 HydrophobicContact CG-CG 3.95Å; P174-S176 PolarHBondContact O-N 3.21Å
175	R	62	Low	60.5	Low	232 Å²	232	110.4 Å²	110.4	88%	0.875	57%	0.565	S	S	*	*			trans	-58.5	127.8	170.4	-70.5	-177.5	-179.7	178.1	-0.2	106.1	R173 V177	R173-R175 PolarHBondContact O-N 3.48Å; R175-V177 PolarHBondContact O-N 3.4Å
176	S	47.6	Very low	57.9	Low	108 Å²	108	118.3 Å²	118.3	76%	0.755	60%	0.601	S	S	*	*			trans	-34.8	100.6	-177.7	50.9	0	0	0	0	110.6	P174 N178	P174-S176 PolarHBondContact O-N 3.21Å; S176-N178 PolarHBondContact O-N 3.26Å
177	V	42.9	Very low	55.5	Low	92 Å²	92	120 Å²	120	56%	0.558	61%	0.606	S	S	*	*			trans	-67.8	106.8	170.9	179.1	0	0	0	0	103.3	I103 R175 N179	I103-V177 HydrophobicContact CD1-CB 4.38Å; I103-V177 HydrophobicContact CD1-CG2 3.7Å; R175-V177 PolarHBondContact O-N 3.4Å; V177-N179 PolarHBondContact O-N 3.42Å
178	N	34.2	Very low	53.3	Low	122 Å²	122	121.2 Å²	121.2	65%	0.652	61%	0.614	S	S	*	*			trans	-51.5	113.1	171.5	-88.3	-9.4	0	0	0	106.3	S176 N180	S176-N178 PolarHBondContact O-N 3.26Å; N178-N180 PolarHBondContact O-N 3.04Å
179	N	35.9	Very low	51.1	Low	146 Å²	146	121 Å²	121	78%	0.781	62%	0.617	S	S	*	*			trans	-65.1	66.8	163.9	-78	-10.1	0	0	0	108.2	V177 S181	V177-N179 PolarHBondContact O-N 3.42Å; N179-S181 VanDerWaalsContact C-N 3.3Å
180	N	29.3	Very low	49.1	Very low	146 Å²	146	128 Å²	128	78%	0.781	65%	0.647	S	S	*	*			trans	-101	56.3	163.4	-81.5	-0.6	0	0	0	107.6	N178	N178-N180 PolarHBondContact O-N 3.04Å
181	S	32.4	Very low	47.4	Very low	83 Å²	83	129.4 Å²	129.4	58%	0.58	66%	0.66	S	S	*	*			trans	-124.8	46.5	165.9	54.9	0	0	0	0	110.6	N179 K183	N179-S181 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.43Å
182	N	31	Very low	46.1	Very low	158 Å²	158	124.8 Å²	124.8	85%	0.845	65%	0.652	S	S	*	*			trans	-90.9	50.6	152.4	-88.9	-5	0	0	0	110.3
183	K	33.1	Very low	45	Very low	181 Å²	181	130.6 Å²	130.6	79%	0.787	68%	0.675	S	S	*	*			trans	-128.6	71	158.8	-83.7	-171.6	175.8	-178.3	0	108.4	S181 S185	S181-K183 PolarHBondContact O-N 3.43Å; K183-S185 PolarHBondContact O-N 3.34Å; K183-S185 VanDerWaalsContact O-N 3.07Å
184	Q	30.4	Very low	44.4	Very low	182 Å²	182	129 Å²	129	85%	0.85	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	94.8	163.3	-72.3	178.4	-13.6	0	0	108.3
185	S	35.5	Very low	44.4	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.8	-9.1	151.6	53.9	0	0	0	0	116.2	K183	K183-S185 PolarHBondContact O-N 3.34Å; K183-S185 VanDerWaalsContact O-N 3.07Å
186	E	38.5	Very low	45	Very low	167 Å²	167	121.8 Å²	121.8	78%	0.78	65%	0.653	S	S	*	*	S	Bend	trans	-125.1	-15.5	179.1	-75.4	-171.5	157.8	0	0	116.3
187	D	41.3	Very low	46.8	Very low	89 Å²	89	122.7 Å²	122.7	48%	0.476	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-16.2	-175.4	-82.7	-30.8	0	0	0	115.3	L189 K190 D191	D187-L189 PolarHBondContact O-N 3.24Å; D187-L189 VanDerWaalsContact O-N 3.14Å; D187-K190 PolarHBondContact O-N 3.01Å; D187-D191 PolarHBondContact O-N 3.41Å; D187-D191 VanDerWaalsContact O-N 3.11Å
188	N	40.8	Very low	48.9	Very low	138 Å²	138	119.4 Å²	119.4	74%	0.738	63%	0.625	S	S	*	*	H	α-helix	trans	-61.8	-27.6	-178.8	-71.5	-15.1	0	0	0	113.3	G192	N188-G192 PolarHBondContact O-N 2.65Å
189	L	41.9	Very low	51.5	Low	152 Å²	152	117.7 Å²	117.7	80%	0.796	61%	0.614	S	S	*	*	H	α-helix	trans	-76	-31.5	176.7	-91.4	150.1	0	0	0	112.9	D187 K193	D187-L189 PolarHBondContact O-N 3.24Å; D187-L189 VanDerWaalsContact O-N 3.14Å; L189-K193 WeakPolarHBondContact O-CB 3.46Å; L189-K193 PolarHBondContact O-N 2.81Å
190	K	48.9	Very low	54.1	Low	147 Å²	147	113.6 Å²	113.6	64%	0.639	60%	0.597	S	S	*	*	H	α-helix	trans	-78.9	-38.7	178.3	-76	-177.9	179.8	171.8	0	111.7	D187 K193 K194	D187-K190 PolarHBondContact O-N 3.01Å; K190-K193 PolarHBondContact O-N 3.13Å; K190-K194 PolarHBondContact O-N 3.1Å; K190-K194 VanDerWaalsContact O-N 3.14Å
191	D	52	Low	57	Low	94 Å²	94	108 Å²	108	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-69.8	-39.8	176.9	-75.7	-19.5	0	0	0	111.8	D187 K193 K194 L195	D187-D191 PolarHBondContact O-N 3.41Å; D187-D191 VanDerWaalsContact O-N 3.11Å; D191-K193 VanDerWaalsContact C-N 3.32Å; D191-K193 PolarHBondContact O-N 2.62Å; D191-K194 PolarHBondContact O-N 3Å; D191-L195 WeakPolarHBondContact O-CB 3.48Å; D191-L195 PolarHBondContact O-N 3.25Å
192	G	58.1	Low	59.8	Low	44 Å²	44	104.4 Å²	104.4	45%	0.454	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-37.5	173.4	0	0	0	0	0	113.5	N188 S196	N188-G192 PolarHBondContact O-N 2.65Å; G192-S196 WeakPolarHBondContact O-CB 3.39Å; G192-S196 PolarHBondContact O-N 3.47Å
193	K	61.5	Low	62.7	Low	166 Å²	166	101 Å²	101	72%	0.722	53%	0.527	S	S	*	.	H	α-helix	trans	-70.1	-40.4	178.7	-151.3	176.9	-173.1	-177.4	0	112.2	L189 K190 D191 S196 E197	L189-K193 WeakPolarHBondContact O-CB 3.46Å; L189-K193 PolarHBondContact O-N 2.81Å; K190-K193 PolarHBondContact O-N 3.13Å; D191-K193 VanDerWaalsContact C-N 3.32Å; D191-K193 PolarHBondContact O-N 2.62Å; K193-S196 WeakPolarHBondContact O-CB 3.31Å; K193-S196 PolarHBondContact O-N 2.81Å; K193-E197 PolarHBondContact O-N 2.78Å; K193-E197 VanDerWaalsContact O-N 3.08Å
194	K	64.1	Low	65.6	Low	100 Å²	100	95.9 Å²	95.9	44%	0.435	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-40.6	174.5	-78.7	-176.3	174.6	-179	0	112.8	N117 K190 D191 S196 E197 V198	N117-K194 PolarHBondContact ND2-NZ 2.95Å; K190-K194 PolarHBondContact O-N 3.1Å; K190-K194 VanDerWaalsContact O-N 3.14Å; D191-K194 PolarHBondContact O-N 3Å; K194-S196 VanDerWaalsContact C-N 3.29Å; K194-S196 PolarHBondContact O-N 3.33Å; K194-E197 WeakPolarHBondContact O-CB 3.14Å; K194-E197 PolarHBondContact O-N 3.36Å; K194-V198 PolarHBondContact O-N 2.97Å
195	L	69.9	Low	68.5	Low	62 Å²	62	87.2 Å²	87.2	33%	0.325	47%	0.466	S	S	.	.	H	α-helix	trans	-61.8	-41	176	-166.7	134.7	0	0	0	110.8	D191 E197 Q199	D191-L195 WeakPolarHBondContact O-CB 3.48Å; D191-L195 PolarHBondContact O-N 3.25Å; L195-E197 VanDerWaalsContact C-N 3.31Å; L195-E197 PolarHBondContact O-N 3.2Å; L195-Q199 VanDerWaalsContact O-CB 3.25Å; L195-Q199 WeakPolarHBondContact O-CB 3.46Å; L195-Q199 PolarHBondContact O-N 2.88Å
196	S	76.3	Confident	71.1	Confident	73 Å²	73	85 Å²	85	51%	0.51	45%	0.446	S	S	.	.	H	α-helix	trans	-61.8	-35.7	171.6	-174.3	0	0	0	0	112.9	G192 K193 K194 S200	G192-S196 WeakPolarHBondContact O-CB 3.39Å; G192-S196 PolarHBondContact O-N 3.47Å; K193-S196 WeakPolarHBondContact O-CB 3.31Å; K193-S196 PolarHBondContact O-N 2.81Å; K194-S196 VanDerWaalsContact C-N 3.29Å; K194-S196 PolarHBondContact O-N 3.33Å; S196-S200 WeakPolarHBondContact O-CB 3.41Å; S196-S200 PolarHBondContact O-N 3.22Å; S196-S200 PolarHBondContact O-OG 2.78Å
197	E	84.7	Confident	73.6	Confident	127 Å²	127	81.3 Å²	81.3	59%	0.593	44%	0.438	S	S	*	.	H	α-helix	trans	-72.4	-44.3	179.3	-168	174	-170.9	0	0	112.4	K193 K194 L195 S200 T201	K193-E197 PolarHBondContact O-N 2.78Å; K193-E197 VanDerWaalsContact O-N 3.08Å; K194-E197 WeakPolarHBondContact O-CB 3.14Å; K194-E197 PolarHBondContact O-N 3.36Å; L195-E197 VanDerWaalsContact C-N 3.31Å; L195-E197 PolarHBondContact O-N 3.2Å; E197-S200 WeakPolarHBondContact CA-OG 3.42Å; E197-S200 PolarHBondContact O-N 3.12Å; E197-S200 PolarHBondContact O-OG 3.05Å; E197-T201 WeakPolarHBondContact O-CB 3.41Å; E197-T201 PolarHBondContact O-N 2.9Å; E197-T201 PolarHBondContact O-OG1 2.84Å
198	V	86.8	Confident	75.8	Confident	23 Å²	23	81.6 Å²	81.6	14%	0.139	43%	0.434	C	S	.	.	H	α-helix	trans	-62.4	-49.3	174.1	169.6	0	0	0	0	110.6	C119 F121 W126 V128 K194 S200 T201 I202	C119-V198 HydrophobicContact CB-CB 4.38Å; C119-V198 HydrophobicContact CB-CG1 4.17Å; C119-V198 HydrophobicContact CB-CG2 4.47Å; F121-V198 HydrophobicContact CE1-CG1 4.22Å; W126-V198 HydrophobicContact CB-CG1 4.28Å; V128-V198 HydrophobicContact CG2-CG1 3.73Å; K194-V198 PolarHBondContact O-N 2.97Å; V198-S200 PolarHBondContact O-N 2.84Å; V198-T201 PolarHBondContact O-N 2.77Å; V198-I202 HydrophobicContact CG1-CD1 3.7Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.35Å; V198-I202 PolarHBondContact O-N 3.02Å
199	Q	88.7	Confident	77.6	Confident	86 Å²	86	77.8 Å²	77.8	40%	0.402	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-40	-179.7	-169.9	175.5	0.5	0	0	112	F121 L195 I202 T203	F121-Q199 HydrophobicContact CZ-CG 4.48Å; L195-Q199 VanDerWaalsContact O-CB 3.25Å; L195-Q199 WeakPolarHBondContact O-CB 3.46Å; L195-Q199 PolarHBondContact O-N 2.88Å; Q199-I202 PolarHBondContact O-N 3.26Å; Q199-T203 VanDerWaalsContact O-CB 3.3Å; Q199-T203 WeakPolarHBondContact O-CB 3.25Å; Q199-T203 PolarHBondContact O-N 3.16Å; Q199-T203 PolarHBondContact O-OG1 3.26Å
200	S	90.2	Very high	78.8	Confident	61 Å²	61	74.4 Å²	74.4	43%	0.427	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-38.4	175.2	58.5	0	0	0	0	112.4	S196 E197 V198 T203 M204	S196-S200 WeakPolarHBondContact O-CB 3.41Å; S196-S200 PolarHBondContact O-N 3.22Å; S196-S200 PolarHBondContact O-OG 2.78Å; E197-S200 WeakPolarHBondContact CA-OG 3.42Å; E197-S200 PolarHBondContact O-N 3.12Å; E197-S200 PolarHBondContact O-OG 3.05Å; V198-S200 PolarHBondContact O-N 2.84Å; S200-T203 PolarHBondContact O-N 2.9Å; S200-M204 WeakPolarHBondContact O-CB 3.1Å; S200-M204 PolarHBondContact O-N 3.32Å
201	T	91.4	Very high	79	Confident	27 Å²	27	73.1 Å²	73.1	17%	0.166	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-46.1	174.9	-57.1	0	0	0	0	111.4	T38 V128 E197 V198 M204 L205	T38-T201 HydrophobicContact CG2-CG2 3.92Å; V128-T201 HydrophobicContact CG1-CG2 4.21Å; E197-T201 WeakPolarHBondContact O-CB 3.41Å; E197-T201 PolarHBondContact O-N 2.9Å; E197-T201 PolarHBondContact O-OG1 2.84Å; V198-T201 PolarHBondContact O-N 2.77Å; T201-M204 HydrophobicContact CG2-CE 4.23Å; T201-M204 PolarHBondContact O-N 3.36Å; T201-L205 HydrophobicContact CG2-CD1 4.4Å; T201-L205 WeakPolarHBondContact O-CG 3.38Å; T201-L205 PolarHBondContact O-N 2.8Å
202	I	90.8	Very high	78.8	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.041	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-44.4	177.6	-66.8	167.4	0	0	0	110.6	V40 F121 W126 V128 V198 Q199 M204 L205 N206	V40-I202 HydrophobicContact CG1-CD1 3.94Å; V40-I202 HydrophobicContact CG1-CG1 3.69Å; V40-I202 HydrophobicContact CG2-CG1 4.14Å; F121-I202 HydrophobicContact CE1-CD1 4.28Å; F121-I202 HydrophobicContact CZ-CD1 3.73Å; W126-I202 HydrophobicContact CB-CD1 4.09Å; W126-I202 HydrophobicContact CD2-CD1 3.72Å; W126-I202 HydrophobicContact CE3-CD1 3.62Å; W126-I202 HydrophobicContact CG-CD1 3.95Å; W126-I202 HydrophobicContact CZ3-CD1 4.28Å; V128-I202 HydrophobicContact CG2-CD1 4.19Å; V128-I202 HydrophobicContact CG2-CG1 4.28Å; V198-I202 HydrophobicContact CG1-CD1 3.7Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.35Å; V198-I202 PolarHBondContact O-N 3.02Å; Q199-I202 PolarHBondContact O-N 3.26Å; I202-M204 VanDerWaalsContact C-N 3.35Å; I202-M204 PolarHBondContact O-N 2.85Å; I202-L205 PolarHBondContact O-N 2.62Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.35Å; I202-N206 VanDerWaalsContact O-CB 3.27Å; I202-N206 WeakPolarHBondContact O-CB 3.41Å; I202-N206 PolarHBondContact O-N 3.1Å; I202-N206 PolarHBondContact O-ND2 3Å; I202-N206 VanDerWaalsContact O-ND2 3.14Å
203	T	91.3	Very high	78.3	Confident	87 Å²	87	75.8 Å²	75.8	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-42.5	177.7	-55.2	0	0	0	0	111.1	Q199 S200 N206 S207	Q199-T203 VanDerWaalsContact O-CB 3.3Å; Q199-T203 WeakPolarHBondContact O-CB 3.25Å; Q199-T203 PolarHBondContact O-N 3.16Å; Q199-T203 PolarHBondContact O-OG1 3.26Å; S200-T203 PolarHBondContact O-N 2.9Å; T203-N206 PolarHBondContact O-N 3.46Å; T203-S207 PolarHBondContact O-N 3.41Å
204	M	93.5	Very high	77.3	Confident	74 Å²	74	68.8 Å²	68.8	37%	0.365	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-54.6	175.1	169.7	-179.4	40	0	0	110.7	S200 T201 I202 N206 S207 Y208	S200-M204 WeakPolarHBondContact O-CB 3.1Å; S200-M204 PolarHBondContact O-N 3.32Å; T201-M204 HydrophobicContact CG2-CE 4.23Å; T201-M204 PolarHBondContact O-N 3.36Å; I202-M204 VanDerWaalsContact C-N 3.35Å; I202-M204 PolarHBondContact O-N 2.85Å; M204-N206 VanDerWaalsContact C-N 3.31Å; M204-N206 PolarHBondContact O-N 3.17Å; M204-S207 WeakPolarHBondContact O-CB 3.44Å; M204-S207 PolarHBondContact O-N 2.65Å; M204-S207 PolarHBondContact O-OG 3.26Å; M204-Y208 HydrophobicContact CG-CE2 4.29Å; M204-Y208 VanDerWaalsContact O-CD2 3.29Å; M204-Y208 WeakPolarHBondContact O-CD2 3.31Å
205	L	92.4	Very high	76.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-39.2	-179.6	-68.9	178.6	0	0	0	112.1	T38 V40 T201 I202 S207 Y208 R209 W297 V299 L332	T38-L205 HydrophobicContact CG2-CD1 3.99Å; V40-L205 HydrophobicContact CG2-CD1 3.87Å; T201-L205 HydrophobicContact CG2-CD1 4.4Å; T201-L205 WeakPolarHBondContact O-CG 3.38Å; T201-L205 PolarHBondContact O-N 2.8Å; I202-L205 PolarHBondContact O-N 2.62Å; L205-S207 PolarHBondContact O-N 3.24Å; L205-Y208 PolarHBondContact O-N 2.85Å; L205-Y208 VanDerWaalsContact O-N 3.11Å; L205-R209 PolarHBondContact O-N 3.35Å; L205-W297 HydrophobicContact CD2-CB 4.05Å; L205-W297 HydrophobicContact CD2-CD2 3.56Å; L205-W297 HydrophobicContact CD2-CE3 3.81Å; L205-W297 HydrophobicContact CD2-CG 3.68Å; L205-W297 HydrophobicContact CD2-CZ3 4.42Å; L205-V299 HydrophobicContact CD2-CG2 4.14Å; L205-L332 HydrophobicContact CB-CD2 3.57Å; L205-L332 HydrophobicContact CD1-CD2 3.97Å; L205-L332 HydrophobicContact CG-CD2 4.45Å
206	N	89.6	Confident	74.9	Confident	60 Å²	60	65.5 Å²	65.5	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-25.7	174.8	-79.5	-37.6	0	0	0	113.1	I202 T203 M204 Y208 R209	I202-N206 WeakPolarHBondContact CG2-ND2 3.35Å; I202-N206 VanDerWaalsContact O-CB 3.27Å; I202-N206 WeakPolarHBondContact O-CB 3.41Å; I202-N206 PolarHBondContact O-N 3.1Å; I202-N206 PolarHBondContact O-ND2 3Å; I202-N206 VanDerWaalsContact O-ND2 3.14Å; T203-N206 PolarHBondContact O-N 3.46Å; M204-N206 VanDerWaalsContact C-N 3.31Å; M204-N206 PolarHBondContact O-N 3.17Å; N206-Y208 VanDerWaalsContact C-N 3.28Å; N206-Y208 PolarHBondContact O-N 3.36Å; N206-R209 WeakPolarHBondContact O-CB 3.25Å; N206-R209 PolarHBondContact O-N 3.07Å
207	S	90.4	Very high	72.7	Confident	89 Å²	89	65.9 Å²	65.9	62%	0.622	34%	0.34	S	S	*	.	H	α-helix	trans	-69.2	-26.9	174.3	75.7	0	0	0	0	113.2	T203 M204 L205	T203-S207 PolarHBondContact O-N 3.41Å; M204-S207 WeakPolarHBondContact O-CB 3.44Å; M204-S207 PolarHBondContact O-N 2.65Å; M204-S207 PolarHBondContact O-OG 3.26Å; L205-S207 PolarHBondContact O-N 3.24Å
208	Y	87.6	Confident	70.2	Confident	96 Å²	96	64.6 Å²	64.6	38%	0.376	34%	0.337	S	S	.	.	H	α-helix	trans	-87.5	-11.7	173.8	-70.2	-83.5	0	0	0	113.1	M204 L205 N206 K210 P295 W297	M204-Y208 HydrophobicContact CG-CE2 4.29Å; M204-Y208 VanDerWaalsContact O-CD2 3.29Å; M204-Y208 WeakPolarHBondContact O-CD2 3.31Å; L205-Y208 PolarHBondContact O-N 2.85Å; L205-Y208 VanDerWaalsContact O-N 3.11Å; N206-Y208 VanDerWaalsContact C-N 3.28Å; N206-Y208 PolarHBondContact O-N 3.36Å; Y208-K210 PolarHBondContact O-N 3.08Å; Y208-P295 HydrophobicContact CD1-CB 4.24Å; Y208-P295 HydrophobicContact CE1-CB 4.45Å; Y208-W297 HydrophobicContact CD1-CB 4.47Å; Y208-W297 HydrophobicContact CD2-CB 3.97Å; Y208-W297 AromaticContact CD2-CD1 3.89Å; Y208-W297 HydrophobicContact CD2-CG 4.31Å; Y208-W297 HydrophobicContact CE2-CB 4.48Å; Y208-W297 AromaticContact CE2-CD1 3.71Å; Y208-W297 HydrophobicContact CE2-CG 4.49Å; Y208-W297 HydrophobicContact CG-CB 3.98Å
209	R	80.3	Confident	67.3	Low	57 Å²	57	69.9 Å²	69.9	22%	0.215	37%	0.365	C	S	.	.	S	Bend	trans	-70.1	101.7	173	-173	-176.4	-179	173.4	5.4	108.8	L205 N206 N211 V299 S301	L205-R209 PolarHBondContact O-N 3.35Å; N206-R209 WeakPolarHBondContact O-CB 3.25Å; N206-R209 PolarHBondContact O-N 3.07Å; R209-N211 PolarHBondContact O-N 3.41Å; R209-V299 HydrophobicContact CB-CG1 4.48Å; R209-S301 PolarHBondContact NE-OG 3.2Å; R209-S301 PolarHBondContact NH2-OG 3.12Å
210	K	66.3	Low	64.4	Low	82 Å²	82	68.7 Å²	68.7	36%	0.357	37%	0.366	S	S	.	.			trans	-62.6	124.5	168	-77.2	-166.5	-176.7	176.8	0	108.9	Y208 S212 D358 D407	Y208-K210 PolarHBondContact O-N 3.08Å; K210-S212 PolarHBondContact O-N 3.49Å; K210-S212 PolarHBondContact O-OG 3.26Å; K210-D358 IonicContact NZ-OD1 3.82Å; K210-D358 PolarHBondContact NZ-OD1 2.9Å; K210-D407 HydrophobicContact CD-CB 3.9Å; K210-D407 WeakPolarHBondContact CD-OD1 2.97Å; K210-D407 VanDerWaalsContact CE-OD1 3.29Å; K210-D407 WeakPolarHBondContact CE-OD1 3.4Å; K210-D407 IonicContact NZ-OD1 2.74Å; K210-D407 PolarHBondContact NZ-OD1 3.26Å; K210-D407 VanDerWaalsContact NZ-OD1 3.08Å
211	N	52.8	Low	61.4	Low	120 Å²	120	73.1 Å²	73.1	64%	0.642	39%	0.385	S	S	*	.			trans	-48.5	103.8	-171.8	-87	-32.8	0	0	0	112.4	R209 K213	R209-N211 PolarHBondContact O-N 3.41Å; N211-K213 PolarHBondContact O-N 2.81Å
212	S	48.3	Very low	58.3	Low	37 Å²	37	78.3 Å²	78.3	26%	0.259	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-76.7	27.3	-179.5	-34.5	0	0	0	0	113.6	K210 N214 T215	K210-S212 PolarHBondContact O-N 3.49Å; K210-S212 PolarHBondContact O-OG 3.26Å; S212-N214 PolarHBondContact O-N 3.3Å; S212-N214 VanDerWaalsContact O-N 3.09Å; S212-T215 PolarHBondContact O-N 3.23Å; S212-T215 VanDerWaalsContact O-N 3.16Å
213	K	46.4	Very low	55.2	Low	157 Å²	157	87 Å²	87	68%	0.683	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23.2	177.4	-73	-170.4	178.1	-177.4	0	111.7	N211	N211-K213 PolarHBondContact O-N 2.81Å
214	N	42.5	Very low	52	Low	18 Å²	18	88.3 Å²	88.3	10%	0.096	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-101.4	19.1	-178.3	-53.8	-25.7	0	0	0	114	S212 V399 E403 I404 Y405	S212-N214 PolarHBondContact O-N 3.3Å; S212-N214 VanDerWaalsContact O-N 3.09Å; N214-V399 WeakPolarHBondContact O-CB 3.47Å; N214-V399 PolarHBondContact O-N 2.92Å; N214-E403 PolarHBondContact ND2-O 2.93Å; N214-I404 HydrophobicContact CB-CG2 4.39Å; N214-I404 WeakPolarHBondContact ND2-CA 3.38Å; N214-Y405 PolarHBondContact ND2-N 2.99Å; N214-Y405 VanDerWaalsContact ND2-N 3.12Å
215	T	41.8	Very low	48.8	Very low	51 Å²	51	91.9 Å²	91.9	31%	0.313	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-112	8.8	170.6	-26.5	0	0	0	0	111.6	S212 V399	S212-T215 PolarHBondContact O-N 3.23Å; S212-T215 VanDerWaalsContact O-N 3.16Å; T215-V399 VanDerWaalsContact C-CG2 3.46Å
216	Q	40.4	Very low	45.7	Very low	43 Å²	43	97 Å²	97	20%	0.201	53%	0.532	C	S	.	.			trans	-99.4	114	-169.1	-70.5	176	14.4	0	0	112	N218 T305	Q216-N218 PolarHBondContact O-N 3.31Å; Q216-T305 WeakPolarHBondContact CA-OG1 3.45Å; Q216-T305 HydrophobicContact CB-CG2 3.78Å; Q216-T305 HydrophobicContact CG-CG2 4.12Å
217	M	31.1	Very low	42.8	Very low	81 Å²	81	104.1 Å²	104.1	40%	0.399	56%	0.56	S	S	.	*			trans	-74.3	99.2	161.6	-85.2	-164.3	84.8	0	0	108.2	N219 T305	M217-N219 PolarHBondContact O-N 2.75Å; M217-N219 VanDerWaalsContact O-N 3.14Å; M217-T305 PolarHBondContact N-OG1 2.81Å; M217-T305 WeakPolarHBondContact O-CB 3.33Å; M217-T305 WeakPolarHBondContact O-CG2 3.32Å
218	N	32.3	Very low	39.7	Very low	99 Å²	99	103.7 Å²	103.7	53%	0.529	57%	0.569	S	S	.	*			trans	-68.3	110.9	172.1	-74.8	-15.5	0	0	0	110.2	Q216 S220	Q216-N218 PolarHBondContact O-N 3.31Å; N218-S220 VanDerWaalsContact C-N 3.32Å; N218-S220 PolarHBondContact O-N 2.9Å
219	N	25.9	Very low	36.7	Very low	134 Å²	134	105.2 Å²	105.2	72%	0.717	59%	0.593	S	S	*	*			trans	-80.1	85.4	149	-89.2	-10.4	0	0	0	107.8	M217 N221	M217-N219 PolarHBondContact O-N 2.75Å; M217-N219 VanDerWaalsContact O-N 3.14Å; N219-N221 PolarHBondContact O-N 2.8Å
220	S	27.1	Very low	34.1	Very low	62 Å²	62	111.9 Å²	111.9	43%	0.434	62%	0.623	S	S	.	*			trans	-81.3	104.2	156.7	31	0	0	0	0	108.1	N218	N218-S220 VanDerWaalsContact C-N 3.32Å; N218-S220 PolarHBondContact O-N 2.9Å
221	N	26.7	Very low	32.4	Very low	153 Å²	153	113.7 Å²	113.7	82%	0.818	64%	0.641	S	S	*	*			trans	171.3	65	137.1	-82	-20.7	0	0	0	112.8	N219	N219-N221 PolarHBondContact O-N 2.8Å
222	T	26.7	Very low	31.1	Very low	136 Å²	136	115.4 Å²	115.4	83%	0.834	65%	0.649	S	S	*	*	S	Bend	trans	-148.1	75.7	155.4	47.2	0	0	0	0	109.4
223	E	24.8	Very low	30.3	Very low	192 Å²	192	119.2 Å²	119.2	90%	0.897	68%	0.676	S	S	*	*	S	Bend	trans	172	82.4	152.1	-98.5	170.1	-162.3	0	0	109.6
224	S	25.3	Very low	29.4	Very low	114 Å²	114	120.6 Å²	120.6	80%	0.797	69%	0.685	S	S	*	*			trans	172.5	53.1	152.5	46.6	0	0	0	0	113.6
225	V	25.8	Very low	28.9	Very low	148 Å²	148	125.8 Å²	125.8	90%	0.897	72%	0.722	S	S	*	*			trans	-140.7	75.1	154.7	-169.3	0	0	0	0	109.8
226	S	27	Very low	28.2	Very low	109 Å²	109	132.1 Å²	132.1	76%	0.762	75%	0.745	S	S	*	*			trans	-123	80.5	161.2	58	0	0	0	0	108.7
227	K	28.2	Very low	27.7	Very low	208 Å²	208	137.1 Å²	137.1	90%	0.904	78%	0.779	S	S	*	*	S	Bend	trans	166.2	115.4	144.4	-90.4	154	-170.9	178	0	110.5
228	G	25.8	Very low	27.6	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	80%	0.795	S	S	*	*			trans	107.3	86.4	152.5	0	0	0	0	0	116.2
229	C	26	Very low	27.6	Very low	129 Å²	129	144.5 Å²	144.5	87%	0.872	81%	0.812	S	S	*	*				-164.3	112.5	123	-146.3	0	0	0	0	111.2
230	K	25.5	Very low	27.7	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.857	81%	0.812	S	S	*	*			trans	-88.4	116.6	159	-74.1	174.9	175.9	175.7	0	106.4
231	T	29.5	Very low	28	Very low	119 Å²	119	149.5 Å²	149.5	73%	0.73	83%	0.827	S	S	*	*			trans	162.7	121.7	131.2	29.6	0	0	0	0	112.4
232	I	26	Very low	28	Very low	156 Å²	156	150.6 Å²	150.6	80%	0.8	83%	0.825	S	S	*	*			trans	44.8	109.6	134.7	-49.1	165.8	0	0	0	117.8
233	S	32.4	Very low	28.2	Very low	118 Å²	118	154.7 Å²	154.7	83%	0.825	83%	0.827	S	S	*	*				-173.3	143.5	109.9	56.8	0	0	0	0	111.4
234	Q	25.8	Very low	28.5	Very low	186 Å²	186	151 Å²	151	87%	0.869	82%	0.817	S	S	*	*			trans	-84.4	139.2	-175.8	-61.6	164.2	-15.4	0	0	110
235	S	32.2	Very low	28.5	Very low	126 Å²	126	153.4 Å²	153.4	88%	0.881	82%	0.821	S	S	*	*			trans	-154.5	142.4	135.8	62.9	0	0	0	0	110.7
236	K	27.7	Very low	28.8	Very low	184 Å²	184	152.1 Å²	152.1	80%	0.8	81%	0.814	S	S	*	*			trans	-97.3	134.7	-166.4	-64.9	162	174.8	167.4	0	109.2
237	T	30.8	Very low	29	Very low	149 Å²	149	152.3 Å²	152.3	91%	0.914	82%	0.815	S	S	*	*			trans	-147.4	108.2	142.1	28.5	0	0	0	0	108.4
238	K	28.4	Very low	29	Very low	167 Å²	167	150.1 Å²	150.1	73%	0.726	81%	0.813	S	S	*	*			trans	-83.9	122.8	176.6	-70.7	175.9	173.9	-178.5	0	108.5
239	N	31.2	Very low	29.4	Very low	168 Å²	168	155.8 Å²	155.8	90%	0.898	82%	0.818	S	S	*	*			trans	-121.6	108.6	150.6	-85.4	-16.5	0	0	0	108.2
240	H	28	Very low	29.6	Very low	153 Å²	153	154.5 Å²	154.5	71%	0.708	81%	0.81	S	S	*	*			trans	-76.6	120.5	174.8	-94.6	-83.3	0	0	0	109.6
241	I	33.8	Very low	29.5	Very low	148 Å²	148	151.1 Å²	151.1	76%	0.759	81%	0.81	S	S	*	*			trans	-112.3	113.1	151.1	-64.7	178.1	0	0	0	106.8	Y243	I241-Y243 HydrophobicContact CG2-CD2 4.29Å; I241-Y243 HydrophobicContact CG2-CE2 4.14Å
242	K	27.6	Very low	29.5	Very low	176 Å²	176	151.1 Å²	151.1	77%	0.765	82%	0.815	S	S	*	*			trans	-76.2	123.4	175.5	-70.5	171.6	175	175.2	0	108.5
243	Y	30.5	Very low	29.7	Very low	222 Å²	222	149.1 Å²	149.1	87%	0.871	82%	0.815	S	S	*	*			trans	-109.3	120	151.2	-88.1	-83.7	0	0	0	108.5	I241	I241-Y243 HydrophobicContact CG2-CD2 4.29Å; I241-Y243 HydrophobicContact CG2-CE2 4.14Å
244	V	30.2	Very low	29.6	Very low	115 Å²	115	155.2 Å²	155.2	70%	0.697	82%	0.82	S	S	*	*			trans	-84.1	125.3	-179.4	169.2	0	0	0	0	108.3
245	N	25.5	Very low	29.7	Very low	163 Å²	163	154.8 Å²	154.8	87%	0.872	82%	0.82	S	S	*	*			trans	-81.6	125	163.1	-82.3	-17.1	0	0	0	109.9
246	T	31.9	Very low	29.6	Very low	122 Å²	122	159 Å²	159	75%	0.748	82%	0.822	S	S	*	*			trans	-157.4	134.4	161.4	31.5	0	0	0	0	105.2
247	S	33	Very low	29.7	Very low	112 Å²	112	155.8 Å²	155.8	78%	0.783	82%	0.818	S	S	*	*			cis	-176.5	149.8	-3.8	40.5	0	0	0	0	105.1
248	N	27.6	Very low	29.7	Very low	162 Å²	162	156 Å²	156	87%	0.866	81%	0.813	S	S	*	*			trans	-52.8	138.5	173.7	-67.7	-29.3	0	0	0	113.5
249	Q	33.6	Very low	29.8	Very low	199 Å²	199	153.3 Å²	153.3	93%	0.93	82%	0.815	S	S	*	*			trans	-156.6	146.1	143.8	-120.6	167.6	6	0	0	112.4
250	S	29.6	Very low	29.6	Very low	102 Å²	102	150 Å²	150	71%	0.713	81%	0.811	S	S	*	*			trans	-99.6	154.6	-157.1	50.9	0	0	0	0	115.1
251	C	24.5	Very low	29.6	Very low	126 Å²	126	146 Å²	146	85%	0.851	81%	0.811	S	S	*	*			trans	63.3	123.7	145.7	-63	0	0	0	0	120.7
252	S	29.5	Very low	29.6	Very low	120 Å²	120	150 Å²	150	84%	0.839	82%	0.818	S	S	*	*				163.1	140.1	110.7	-174.7	0	0	0	0	112.8
253	S	30	Very low	29.6	Very low	114 Å²	114	153.9 Å²	153.9	80%	0.797	83%	0.828	S	S	*	*			trans	-65	136.1	177.2	-40.1	0	0	0	0	113.7
254	R	30.4	Very low	29.8	Very low	246 Å²	246	148.3 Å²	148.3	93%	0.928	82%	0.821	S	S	*	*			trans	-163.2	126.4	142.8	-133.7	169.3	-179.4	162.4	0.1	113.1
255	M	27.5	Very low	29.8	Very low	177 Å²	177	154.1 Å²	154.1	87%	0.872	83%	0.831	S	S	*	*			trans	-53.8	141.6	160.7	-81.3	179.6	141.3	0	0	111.2
256	K	31.1	Very low	30.2	Very low	213 Å²	213	155.7 Å²	155.7	93%	0.926	83%	0.83	S	S	*	*			trans	-152	142.8	143	-109.5	177.8	-174.1	-177	0	111.1
257	V	28.7	Very low	30.2	Very low	118 Å²	118	155.2 Å²	155.2	72%	0.715	83%	0.827	S	S	*	*			trans	-109.8	139.9	-169	158	0	0	0	0	107.8
258	L	31.8	Very low	30.4	Very low	154 Å²	154	157.6 Å²	157.6	81%	0.806	83%	0.831	S	S	*	*			trans	76.7	116.2	157.5	-66.1	167.4	0	0	0	122.6
259	S	29.7	Very low	31.4	Very low	109 Å²	109	158.2 Å²	158.2	76%	0.762	83%	0.826	S	S	*	*				88.6	139.9	115.3	74.1	0	0	0	0	123
260	A	27.5	Very low	32.4	Very low	98 Å²	98	156.4 Å²	156.4	81%	0.81	82%	0.821	S	S	*	*			trans	78.6	107.7	155.6	0	0	0	0	0	119.8
261	G	28.5	Very low	33.9	Very low	69 Å²	69	158.2 Å²	158.2	71%	0.711	82%	0.818	S	S	*	*				86.8	80.8	128	0	0	0	0	0	117.6
262	Y	32.6	Very low	36.6	Very low	232 Å²	232	156.6 Å²	156.6	91%	0.91	80%	0.801	S	S	*	*			trans	-138.3	111.6	148	-89.8	-82.7	0	0	0	110.8	S264	Y262-S264 PolarHBondContact O-N 3.25Å
263	R	28.5	Very low	39.1	Very low	259 Å²	259	152.9 Å²	152.9	98%	0.977	77%	0.774	S	S	*	*			trans	-58.1	89	155.9	-82.9	178.1	168.5	-179.3	-3.7	107.6
264	S	34	Very low	41.6	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	74%	0.74	S	S	*	*			trans	-88.6	125.7	168.6	-166.7	0	0	0	0	108.8	Y262 K266	Y262-S264 PolarHBondContact O-N 3.25Å; S264-K266 PolarHBondContact O-N 3.13Å; S264-K266 VanDerWaalsContact O-N 3.11Å
265	R	30.8	Very low	44.3	Very low	236 Å²	236	141.9 Å²	141.9	89%	0.891	72%	0.721	S	S	*	*			trans	-52.9	113.9	174.5	-69.3	171.9	177.5	159.5	-1.9	108.2	T267	R265-T267 PolarHBondContact O-N 3.08Å
266	K	32.8	Very low	47.2	Very low	197 Å²	197	134.7 Å²	134.7	86%	0.857	69%	0.689	S	S	*	*			trans	-63.5	103.1	173.4	-73.6	-175.2	177.5	-177.8	0	107.8	S264	S264-K266 PolarHBondContact O-N 3.13Å; S264-K266 VanDerWaalsContact O-N 3.11Å
267	T	32.6	Very low	49.8	Very low	111 Å²	111	126 Å²	126	68%	0.681	65%	0.65	S	S	*	*			trans	-62.3	124.3	150.9	51.7	0	0	0	0	106.3	R265 K269	R265-T267 PolarHBondContact O-N 3.08Å; T267-K269 PolarHBondContact O-N 3.01Å
268	D	37	Very low	52.7	Low	162 Å²	162	120.4 Å²	120.4	87%	0.866	62%	0.616	S	S	*	*			trans	-59.7	84.9	174.5	-71.6	-35.7	0	0	0	109.6	I270	D268-I270 PolarHBondContact O-N 3.25Å
269	K	49	Very low	55.6	Low	176 Å²	176	113 Å²	113	77%	0.765	58%	0.578	S	S	*	*			trans	-69.4	117.9	162.6	-73.8	-173.2	176.7	-174.8	0	105.5	T267 Q271	T267-K269 PolarHBondContact O-N 3.01Å; K269-Q271 PolarHBondContact O-N 3.16Å
270	I	53.5	Low	58.5	Low	161 Å²	161	107.9 Å²	107.9	83%	0.826	54%	0.541	S	S	*	.			trans	-44.3	111.4	169.3	-62.5	166.9	0	0	0	106.8	D268 D272 L312	D268-I270 PolarHBondContact O-N 3.25Å; I270-D272 PolarHBondContact O-N 2.99Å; I270-L312 HydrophobicContact CG2-CD1 4.46Å
271	Q	62.9	Low	61.7	Low	139 Å²	139	103.2 Å²	103.2	65%	0.65	50%	0.503	S	S	*	.			trans	-65.8	132.7	179.6	-81.4	177.4	-35.5	0	0	108.3	K269 L312	K269-Q271 PolarHBondContact O-N 3.16Å; Q271-L312 HydrophobicContact CB-CD2 4.28Å; Q271-L312 WeakPolarHBondContact O-CD1 3.43Å; Q271-L312 VanDerWaalsContact O-CD2 3.22Å; Q271-L312 WeakPolarHBondContact O-CD2 3.38Å
272	D	80.2	Confident	64.8	Low	93 Å²	93	99.9 Å²	99.9	50%	0.497	47%	0.469	S	S	.	.			trans	-69	127.9	175.8	-168.1	-31	0	0	0	108.9	I270 V274 E275 S276	I270-D272 PolarHBondContact O-N 2.99Å; D272-V274 PolarHBondContact O-N 3.22Å; D272-V274 PolarHBondContact OD1-N 2.9Å; D272-E275 HydrophobicContact CB-CB 4.01Å; D272-E275 WeakPolarHBondContact O-CB 2.96Å; D272-E275 PolarHBondContact O-N 3.35Å; D272-E275 VanDerWaalsContact O-N 3.12Å; D272-S276 PolarHBondContact O-N 2.98Å; D272-S276 PolarHBondContact O-OG 3.32Å
273	P	81.3	Confident	67.7	Low	42 Å²	42	89.3 Å²	89.3	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-58	-33.1	177.9	21.4	-32.5	0	0	0	112.7	E275 S276 W277 L312 L322	P273-E275 VanDerWaalsContact C-N 3.33Å; P273-S276 PolarHBondContact O-N 3.25Å; P273-W277 PolarHBondContact O-N 3.33Å; P273-L312 HydrophobicContact CB-CD2 4.08Å; P273-L322 HydrophobicContact CB-CD1 4.01Å; P273-L322 HydrophobicContact CB-CD2 4.29Å; P273-L322 WeakPolarHBondContact O-CD1 3.31Å
274	V	84	Confident	70.8	Confident	15 Å²	15	77 Å²	77	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-36.8	177.3	179.6	0	0	0	0	111	W159 D272 S276 G278 L322 E323	W159-V274 PolarHBondContact NE1-O 2.73Å; D272-V274 PolarHBondContact O-N 3.22Å; D272-V274 PolarHBondContact OD1-N 2.9Å; V274-S276 VanDerWaalsContact C-N 3.25Å; V274-S276 PolarHBondContact O-N 2.82Å; V274-G278 VanDerWaalsContact O-CA 3.27Å; V274-G278 WeakPolarHBondContact O-CA 3.28Å; V274-G278 PolarHBondContact O-N 3.22Å; V274-L322 HydrophobicContact CG2-CB 4.11Å; V274-E323 HydrophobicContact CG2-CG 3.99Å
275	E	86.3	Confident	73.6	Confident	113 Å²	113	73 Å²	73	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-35.1	175.3	-171.5	63.9	-161.9	0	0	111.4	K164 D272 P273	K164-E275 IonicContact NZ-OE1 3.08Å; K164-E275 PolarHBondContact NZ-OE1 3.06Å; K164-E275 IonicContact NZ-OE2 3.19Å; K164-E275 PolarHBondContact NZ-OE2 2.92Å; D272-E275 HydrophobicContact CB-CB 4.01Å; D272-E275 WeakPolarHBondContact O-CB 2.96Å; D272-E275 PolarHBondContact O-N 3.35Å; D272-E275 VanDerWaalsContact O-N 3.12Å; P273-E275 VanDerWaalsContact C-N 3.33Å
276	S	87.5	Confident	76.6	Confident	27 Å²	27	61.7 Å²	61.7	19%	0.189	31%	0.309	C	S	.	.	H	α-helix	trans	-84.3	-38.7	-174.2	-56.1	0	0	0	0	113.2	K157 D272 P273 V274	K157-S276 WeakPolarHBondContact CD-O 3.1Å; K157-S276 VanDerWaalsContact CE-O 3.3Å; K157-S276 WeakPolarHBondContact CE-O 3.17Å; K157-S276 PolarHBondContact NZ-O 2.98Å; D272-S276 PolarHBondContact O-N 2.98Å; D272-S276 PolarHBondContact O-OG 3.32Å; P273-S276 PolarHBondContact O-N 3.25Å; V274-S276 VanDerWaalsContact C-N 3.25Å; V274-S276 PolarHBondContact O-N 2.82Å
277	W	87.5	Confident	79.5	Confident	30 Å²	30	52.5 Å²	52.5	11%	0.114	27%	0.27	C	S	.	.	H	α-helix	trans	-120	-8.8	-169.3	-62.3	114.5	0	0	0	114.8	K157 P273 C281 P315 P316 L322	K157-W277 WeakPolarHBondContact CB-O 3.43Å; K157-W277 HydrophobicContact CD-CE3 4.49Å; K157-W277 HydrophobicContact CG-CE3 4.45Å; P273-W277 PolarHBondContact O-N 3.33Å; W277-C281 HydrophobicContact CB-CB 4.37Å; W277-C281 WeakPolarHBondContact O-CB 3.25Å; W277-P315 HydrophobicContact CH2-CB 3.56Å; W277-P315 HydrophobicContact CZ2-CB 3.94Å; W277-P315 HydrophobicContact CZ3-CB 4.35Å; W277-P316 HydrophobicContact CD2-CG 4.2Å; W277-P316 HydrophobicContact CE3-CG 4.13Å; W277-L322 HydrophobicContact CB-CD1 3.94Å
278	G	89.8	Confident	82.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	89.4	167.8	-174	0	0	0	0	0	113.9	C158 W159 V274 C280 L322	C158-G278 CarbonylContact O-C 3.46Å; C158-G278 WeakPolarHBondContact O-CA 3.36Å; W159-G278 VanDerWaalsContact CE2-CA 3.45Å; V274-G278 VanDerWaalsContact O-CA 3.27Å; V274-G278 WeakPolarHBondContact O-CA 3.28Å; V274-G278 PolarHBondContact O-N 3.22Å; G278-C280 PolarHBondContact O-N 3.18Å; G278-L322 WeakPolarHBondContact O-CD1 3.31Å
279	T	91.1	Very high	85.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-54	-37.2	170.1	-43.4	0	0	0	0	110.8	C158 D160 L322 E323	C158-T279 WeakPolarHBondContact O-CB 3.49Å; C158-T279 PolarHBondContact O-N 3.1Å; D160-T279 PolarHBondContact OD1-OG1 3.17Å; T279-L322 PolarHBondContact O-N 2.66Å; T279-E323 HydrophobicContact CG2-CB 3.75Å; T279-E323 PolarHBondContact O-N 3.48Å
280	C	92.2	Very high	87.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.3	162.6	65.5	0	0	0	0	111.1	C158 G278 K302 V320	C158-C280 WeakPolarHBondContact CB-O 3.19Å; C158-C280 VanDerWaalsContact CB-SG 3.6Å; C158-C280 PolarHBondContact N-O 2.7Å; C158-C280 PolarHBondContact O-N 2.72Å; G278-C280 PolarHBondContact O-N 3.18Å; C280-K302 HydrophobicContact CB-CG 4.34Å; C280-V320 WeakPolarHBondContact CA-O 3.31Å; C280-V320 WeakPolarHBondContact CB-O 3.29Å
281	C	93.2	Very high	89.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121	175.8	-179.3	0	0	0	0	109.3	I156 W277 S319 V320	I156-C281 CarbonylContact O-C 3.6Å; I156-C281 WeakPolarHBondContact O-CA 3.44Å; W277-C281 HydrophobicContact CB-CB 4.37Å; W277-C281 WeakPolarHBondContact O-CB 3.25Å; C281-S319 CarbonylContact O-C 3.58Å; C281-S319 VanDerWaalsContact O-CA 3.24Å; C281-S319 WeakPolarHBondContact O-CA 3.24Å; C281-V320 HydrophobicContact CB-CG2 3.74Å; C281-V320 PolarHBondContact N-O 3.23Å; C281-V320 PolarHBondContact O-N 3.31Å
282	L	94.3	Very high	90.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.9	176.1	-52.2	-177.1	0	0	0	110.1	R155 I156 A300 K302 I331 V333	R155-L282 CarbonylContact C-O 3.58Å; R155-L282 WeakPolarHBondContact CA-O 3.17Å; I156-L282 HydrophobicContact CB-CB 4.25Å; I156-L282 PolarHBondContact N-O 3.42Å; I156-L282 PolarHBondContact O-N 2.77Å; L282-A300 HydrophobicContact CB-CB 3.96Å; L282-K302 HydrophobicContact CD2-CB 4.42Å; L282-I331 HydrophobicContact CD1-CD1 4.44Å; L282-I331 HydrophobicContact CD1-CG1 4.11Å; L282-I331 HydrophobicContact CD1-CG2 4.06Å; L282-I331 HydrophobicContact CD2-CG2 4.28Å; L282-I331 HydrophobicContact CG-CG2 4.46Å; L282-V333 HydrophobicContact CD1-CB 4.41Å; L282-V333 HydrophobicContact CD1-CG2 3.73Å
283	V	93.2	Very high	91.2	Very high	9 Å²	9	22.8 Å²	22.8	6%	0.055	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.1	179.2	-176.2	0	0	0	0	110.1	G152 I154 R155 A300 S318 S319	G152-V283 WeakPolarHBondContact O-CG1 3.45Å; I154-V283 CarbonylContact O-C 3.58Å; I154-V283 WeakPolarHBondContact O-CA 3.47Å; R155-V283 HydrophobicContact CG-CG2 3.84Å; V283-A300 WeakPolarHBondContact O-CB 3.47Å; V283-S318 WeakPolarHBondContact CG2-O 3.19Å; V283-S319 PolarHBondContact N-OG 2.86Å
284	L	94	Very high	91.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.5	174.1	-71.4	165.9	0	0	0	109.8	L37 G153 I154 I156 T286 I298 A300 V333 M335	L37-L284 HydrophobicContact CD2-CD1 4.07Å; G153-L284 CarbonylContact C-O 3.51Å; G153-L284 WeakPolarHBondContact CA-O 3.14Å; I154-L284 HydrophobicContact CB-CB 4.27Å; I154-L284 PolarHBondContact N-O 2.92Å; I154-L284 PolarHBondContact O-N 3.22Å; I156-L284 HydrophobicContact CD1-CD1 3.75Å; I156-L284 HydrophobicContact CD1-CG 4.37Å; L284-T286 PolarHBondContact O-N 3.25Å; L284-T286 VanDerWaalsContact O-N 3.09Å; L284-I298 HydrophobicContact CD2-CG2 4.19Å; L284-I298 WeakPolarHBondContact CD2-O 3.21Å; L284-A300 HydrophobicContact CD2-CB 3.7Å; L284-A300 HydrophobicContact CG-CB 3.99Å; L284-V333 HydrophobicContact CD1-CG1 4.22Å; L284-M335 HydrophobicContact CB-CE 4.44Å; L284-M335 HydrophobicContact CD1-CB 3.88Å; L284-M335 HydrophobicContact CD1-SD 4.18Å; L284-M335 HydrophobicContact CD2-CB 4.15Å
285	Q	92.1	Very high	92	Very high	20 Å²	20	24.6 Å²	24.6	9%	0.093	13%	0.13	C	C	.	.			trans	-79	98.4	-176.3	-67	-167.5	-66.7	0	0	111.9	G287 H288 R396 D407	Q285-G287 PolarHBondContact O-N 3.35Å; Q285-H288 PolarHBondContact O-N 2.8Å; Q285-R396 VanDerWaalsContact CD-CZ 3.44Å; Q285-D407 PolarHBondContact OE1-O 3.17Å
286	T	93.3	Very high	92.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-65.4	-16.4	-179.2	50	0	0	0	0	113.6	F145 T149 I154 L284 H288 L289 M335	F145-T286 HydrophobicContact CD1-CG2 3.94Å; F145-T286 HydrophobicContact CE1-CG2 4.18Å; T149-T286 WeakPolarHBondContact CG2-OG1 3.47Å; T149-T286 PolarHBondContact N-OG1 2.9Å; I154-T286 HydrophobicContact CB-CG2 4.43Å; I154-T286 HydrophobicContact CD1-CG2 3.64Å; I154-T286 HydrophobicContact CG1-CG2 3.66Å; L284-T286 PolarHBondContact O-N 3.25Å; L284-T286 VanDerWaalsContact O-N 3.09Å; T286-H288 PolarHBondContact O-N 2.82Å; T286-L289 HydrophobicContact CG2-CD1 4.39Å; T286-L289 VanDerWaalsContact O-CB 3.23Å; T286-L289 WeakPolarHBondContact O-CB 3.44Å; T286-L289 WeakPolarHBondContact O-CG 3.45Å; T286-L289 PolarHBondContact O-N 3.36Å; T286-M335 HydrophobicContact CG2-CE 4.36Å
287	G	94.7	Very high	92.6	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-56.2	-34.1	178.2	0	0	0	0	0	113	Q285 L289 F290 V409	Q285-G287 PolarHBondContact O-N 3.35Å; G287-L289 PolarHBondContact O-N 2.8Å; G287-F290 PolarHBondContact O-N 2.97Å; G287-F290 VanDerWaalsContact O-N 3.16Å; G287-V409 VanDerWaalsContact C-CG1 3.47Å; G287-V409 WeakPolarHBondContact O-CG1 3.25Å
288	H	95.1	Very high	93	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.019	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-58.9	-28.6	175.2	-78.6	-74.2	0	0	0	113.6	Q285 T286 F290 R291 P294 P295 I298 D407 V409	Q285-H288 PolarHBondContact O-N 2.8Å; T286-H288 PolarHBondContact O-N 2.82Å; H288-F290 PolarHBondContact O-N 3.22Å; H288-R291 PolarHBondContact ND1-NH1 2.95Å; H288-R291 WeakPolarHBondContact O-CB 3.49Å; H288-R291 WeakPolarHBondContact O-CG 3.38Å; H288-R291 PolarHBondContact O-N 2.79Å; H288-P294 WeakPolarHBondContact O-CB 3.45Å; H288-P295 HydrophobicContact CB-CG 4.13Å; H288-I298 HydrophobicContact CB-CD1 3.59Å; H288-I298 HydrophobicContact CB-CG1 3.71Å; H288-D407 IonicContact CD2-OD2 3.65Å; H288-D407 IonicContact CE1-OD1 3.69Å; H288-D407 PolarHBondContact CE1-OD1 3.43Å; H288-D407 IonicContact CE1-OD2 2.73Å; H288-D407 IonicContact NE2-OD1 3.87Å; H288-D407 PolarHBondContact NE2-OD1 3.47Å; H288-D407 IonicContact NE2-OD2 2.8Å; H288-D407 PolarHBondContact NE2-OD2 2.84Å; H288-V409 WeakPolarHBondContact CE1-CG2 3.41Å; H288-V409 WeakPolarHBondContact ND1-CG2 3.49Å
289	L	95.3	Very high	93.2	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.042	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.9	-179.7	-61.6	177.7	0	0	0	113.2	F145 T286 G287 R291 I298 M335 L337 L341	F145-L289 HydrophobicContact CD1-CD1 3.98Å; F145-L289 HydrophobicContact CE1-CD1 3.82Å; T286-L289 HydrophobicContact CG2-CD1 4.39Å; T286-L289 VanDerWaalsContact O-CB 3.23Å; T286-L289 WeakPolarHBondContact O-CB 3.44Å; T286-L289 WeakPolarHBondContact O-CG 3.45Å; T286-L289 PolarHBondContact O-N 3.36Å; G287-L289 PolarHBondContact O-N 2.8Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-I298 HydrophobicContact CD2-CD1 3.45Å; L289-I298 VanDerWaalsContact CD2-CD1 3.45Å; L289-I298 HydrophobicContact CG-CD1 3.69Å; L289-M335 HydrophobicContact CD1-CE 3.88Å; L289-M335 HydrophobicContact CD2-CE 4.3Å; L289-M335 HydrophobicContact CG-CE 4.24Å; L289-L337 HydrophobicContact CD1-CD1 4.28Å; L289-L337 HydrophobicContact CD2-CD1 3.78Å; L289-L337 HydrophobicContact CD2-CG 3.77Å; L289-L337 HydrophobicContact CG-CD1 4.45Å; L289-L341 HydrophobicContact CB-CB 4.18Å; L289-L341 HydrophobicContact CB-CD2 3.9Å
290	F	96.1	Very high	93.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-80	-19.8	179.2	-71	-94.1	0	0	0	112.7	I142 F145 W146 T149 G287 H288 L341 M342 R347 I354 V411 L413	I142-F290 HydrophobicContact CG2-CE1 3.88Å; F145-F290 HydrophobicContact CB-CE2 4.04Å; F145-F290 HydrophobicContact CB-CZ 3.87Å; W146-F290 HydrophobicContact CB-CE1 4.21Å; W146-F290 HydrophobicContact CB-CZ 3.75Å; T149-F290 HydrophobicContact CG2-CD2 3.99Å; T149-F290 HydrophobicContact CG2-CE2 3.62Å; G287-F290 PolarHBondContact O-N 2.97Å; G287-F290 VanDerWaalsContact O-N 3.16Å; H288-F290 PolarHBondContact O-N 3.22Å; F290-L341 HydrophobicContact CD1-CD2 4.24Å; F290-L341 HydrophobicContact CD2-CD2 4.05Å; F290-L341 HydrophobicContact CE1-CD2 3.92Å; F290-L341 HydrophobicContact CE2-CD2 3.7Å; F290-L341 HydrophobicContact CG-CD2 4.29Å; F290-L341 HydrophobicContact CZ-CD2 3.62Å; F290-M342 HydrophobicContact CB-CE 4.21Å; F290-M342 HydrophobicContact CD1-CE 3.64Å; F290-M342 HydrophobicContact CD1-SD 4.22Å; F290-M342 HydrophobicContact CE1-CE 4.46Å; F290-M342 HydrophobicContact CG-CE 4.33Å; F290-R347 PolarHBondContact O-NH1 3.32Å; F290-R347 PolarHBondContact O-NH2 2.8Å; F290-I354 HydrophobicContact CB-CD1 4.02Å; F290-I354 WeakPolarHBondContact O-CD1 3.44Å; F290-V411 HydrophobicContact CB-CG1 3.97Å; F290-V411 HydrophobicContact CB-CG2 3.79Å; F290-V411 HydrophobicContact CD1-CG1 3.86Å; F290-V411 HydrophobicContact CD2-CG1 4.38Å; F290-V411 HydrophobicContact CD2-CG2 3.98Å; F290-V411 HydrophobicContact CE1-CG1 4.5Å; F290-V411 HydrophobicContact CG-CB 4.44Å; F290-V411 HydrophobicContact CG-CG1 3.8Å; F290-V411 HydrophobicContact CG-CG2 3.95Å; F290-L413 HydrophobicContact CD1-CD2 4.18Å; F290-L413 HydrophobicContact CE1-CD2 4.13Å
291	R	94.7	Very high	93.4	Very high	33 Å²	33	21.9 Å²	21.9	13%	0.125	13%	0.129	C	C	.	.	S	Bend	trans	-57.3	152.6	-178.7	-64.6	178	70	-170.1	4.7	110.9	H288 L289 N293 R347 I354 V409 E563 E565	H288-R291 PolarHBondContact ND1-NH1 2.95Å; H288-R291 WeakPolarHBondContact O-CB 3.49Å; H288-R291 WeakPolarHBondContact O-CG 3.38Å; H288-R291 PolarHBondContact O-N 2.79Å; L289-R291 VanDerWaalsContact C-N 3.34Å; R291-N293 VanDerWaalsContact C-N 3.27Å; R291-R347 PolarHBondContact O-NH2 2.73Å; R291-I354 HydrophobicContact CG-CD1 4.46Å; R291-I354 HydrophobicContact CG-CG2 4.07Å; R291-V409 HydrophobicContact CG-CG1 4.25Å; R291-E563 IonicContact CZ-OE1 3.37Å; R291-E563 IonicContact NH2-OE1 2.95Å; R291-E563 PolarHBondContact NH2-OE1 3.31Å; R291-E565 IonicContact NE-OE1 2.77Å; R291-E565 IonicContact NH2-OE1 3.29Å
292	I	89.2	Confident	93.3	Very high	57 Å²	57	22.6 Å²	22.6	29%	0.292	13%	0.132	S	C	.	.	S	Bend	trans	-62.3	-45	174.9	-62.9	171.5	0	0	0	109.2	V514 E565 N567	I292-V514 HydrophobicContact CD1-CG1 3.44Å; I292-V514 VanDerWaalsContact CD1-CG1 3.44Å; I292-E565 HydrophobicContact CD1-CB 4.34Å; I292-E565 PolarHBondContact N-OE2 2.93Å; I292-N567 WeakPolarHBondContact CD1-ND2 3.32Å; I292-N567 WeakPolarHBondContact CG1-ND2 3.44Å; I292-N567 WeakPolarHBondContact CG1-OD1 3.34Å
293	N	89.6	Confident	92.9	Very high	117 Å²	117	23.5 Å²	23.5	63%	0.626	14%	0.138	S	C	*	.	S	Bend	trans	-122.1	85.3	176.8	-65.6	-39.9	0	0	0	108.6	R291	R291-N293 VanDerWaalsContact C-N 3.27Å
294	P	91.7	Very high	92.3	Very high	56 Å²	56	28.5 Å²	28.5	36%	0.364	16%	0.163	S	C	.	.			trans	-61	153	175.5	26.6	-34.1	0	0	0	110.5	H288	H288-P294 WeakPolarHBondContact O-CB 3.45Å
295	P	91.7	Very high	91.5	Very high	39 Å²	39	29.3 Å²	29.3	25%	0.253	17%	0.169	S	C	.	.			trans	-59.1	149.5	169.6	28.7	-34.2	0	0	0	109.9	Y208 H288 W297 I298	Y208-P295 HydrophobicContact CD1-CB 4.24Å; Y208-P295 HydrophobicContact CE1-CB 4.45Å; H288-P295 HydrophobicContact CB-CG 4.13Å; P295-W297 PolarHBondContact O-N 3.24Å; P295-W297 VanDerWaalsContact O-N 3.08Å; P295-I298 HydrophobicContact CG-CG1 4.11Å
296	G	91.7	Very high	90.9	Very high	37 Å²	37	32 Å²	32	38%	0.381	18%	0.181	S	C	.	.	S	Bend	trans	-57.7	-26.6	179.8	0	0	0	0	0	113.7	K336	G296-K336 WeakPolarHBondContact O-CB 3.4Å
297	W	94.7	Very high	90.1	Very high	23 Å²	23	33.7 Å²	33.7	9%	0.087	19%	0.191	C	C	.	.			trans	-142	139.1	170.1	-68.6	94.9	0	0	0	110.8	I36 T38 L205 Y208 P295 V299 K336	I36-W297 HydrophobicContact CG2-CH2 4.09Å; I36-W297 HydrophobicContact CG2-CZ3 4.49Å; T38-W297 WeakPolarHBondContact OG1-CH2 3.37Å; L205-W297 HydrophobicContact CD2-CB 4.05Å; L205-W297 HydrophobicContact CD2-CD2 3.56Å; L205-W297 HydrophobicContact CD2-CE3 3.81Å; L205-W297 HydrophobicContact CD2-CG 3.68Å; L205-W297 HydrophobicContact CD2-CZ3 4.42Å; Y208-W297 HydrophobicContact CD1-CB 4.47Å; Y208-W297 HydrophobicContact CD2-CB 3.97Å; Y208-W297 AromaticContact CD2-CD1 3.89Å; Y208-W297 HydrophobicContact CD2-CG 4.31Å; Y208-W297 HydrophobicContact CE2-CB 4.48Å; Y208-W297 AromaticContact CE2-CD1 3.71Å; Y208-W297 HydrophobicContact CE2-CG 4.49Å; Y208-W297 HydrophobicContact CG-CB 3.98Å; P295-W297 PolarHBondContact O-N 3.24Å; P295-W297 VanDerWaalsContact O-N 3.08Å; W297-V299 HydrophobicContact CB-CG2 3.89Å; W297-K336 HydrophobicContact CD2-CB 4.3Å; W297-K336 HydrophobicContact CD2-CD 4.13Å; W297-K336 HydrophobicContact CD2-CG 4.32Å; W297-K336 HydrophobicContact CE3-CB 3.99Å; W297-K336 HydrophobicContact CE3-CD 4.24Å; W297-K336 HydrophobicContact CE3-CG 3.96Å; W297-K336 HydrophobicContact CH2-CD 3.84Å; W297-K336 HydrophobicContact CH2-CG 3.94Å; W297-K336 HydrophobicContact CZ2-CD 3.69Å; W297-K336 HydrophobicContact CZ2-CG 4.28Å; W297-K336 HydrophobicContact CZ3-CB 4.28Å; W297-K336 HydrophobicContact CZ3-CD 4.11Å; W297-K336 HydrophobicContact CZ3-CG 3.77Å
298	I	94.8	Very high	88.8	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.7	164.3	-60.8	164.5	0	0	0	106.5	L284 H288 L289 P295 G334 M335	L284-I298 HydrophobicContact CD2-CG2 4.19Å; L284-I298 WeakPolarHBondContact CD2-O 3.21Å; H288-I298 HydrophobicContact CB-CD1 3.59Å; H288-I298 HydrophobicContact CB-CG1 3.71Å; L289-I298 HydrophobicContact CD2-CD1 3.45Å; L289-I298 VanDerWaalsContact CD2-CD1 3.45Å; L289-I298 HydrophobicContact CG-CD1 3.69Å; P295-I298 HydrophobicContact CG-CG1 4.11Å; I298-G334 CarbonylContact O-C 3.53Å; I298-G334 WeakPolarHBondContact O-CA 3.49Å; I298-M335 HydrophobicContact CB-CE 4.34Å; I298-M335 HydrophobicContact CD1-CE 3.68Å; I298-M335 HydrophobicContact CG2-CE 4.48Å; I298-M335 PolarHBondContact N-O 2.9Å; I298-M335 PolarHBondContact O-N 2.94Å
299	V	95.1	Very high	87.3	Confident	31 Å²	31	42.8 Å²	42.8	19%	0.188	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.8	-168.2	-179.7	0	0	0	0	110.8	L205 R209 W297 L332 V333	L205-V299 HydrophobicContact CD2-CG2 4.14Å; R209-V299 HydrophobicContact CB-CG1 4.48Å; W297-V299 HydrophobicContact CB-CG2 3.89Å; V299-L332 HydrophobicContact CG1-CD1 3.27Å; V299-L332 HydrophobicContact CG1-CG 3.99Å; V299-V333 WeakPolarHBondContact CA-O 3.38Å
300	A	94	Very high	85.9	Confident	4 Å²	4	44 Å²	44	3%	0.033	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.1	170	0	0	0	0	0	109.7	L282 V283 L284 L332 V333	L282-A300 HydrophobicContact CB-CB 3.96Å; V283-A300 WeakPolarHBondContact O-CB 3.47Å; L284-A300 HydrophobicContact CD2-CB 3.7Å; L284-A300 HydrophobicContact CG-CB 3.99Å; A300-L332 CarbonylContact O-C 3.58Å; A300-L332 WeakPolarHBondContact O-CA 3.22Å; A300-V333 PolarHBondContact N-O 3.25Å; A300-V333 PolarHBondContact O-N 3.02Å
301	S	92.3	Very high	84.6	Confident	11 Å²	11	47.2 Å²	47.2	8%	0.077	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151	-176	62.6	0	0	0	0	111	R209 P303 I331	R209-S301 PolarHBondContact NE-OG 3.2Å; R209-S301 PolarHBondContact NH2-OG 3.12Å; S301-P303 WeakPolarHBondContact O-CD 3.41Å; S301-I331 CarbonylContact C-O 3.52Å; S301-I331 VanDerWaalsContact CA-O 3.32Å; S301-I331 WeakPolarHBondContact CA-O 3.49Å
302	K	90.7	Very high	83.2	Confident	15 Å²	15	48.5 Å²	48.5	7%	0.065	28%	0.28	C	S	.	.			trans	-58	125	176.3	-172.1	178.3	162.8	179.8	0	110.1	C280 L282 T321 S326 F328 I331	C280-K302 HydrophobicContact CB-CG 4.34Å; L282-K302 HydrophobicContact CD2-CB 4.42Å; K302-T321 WeakPolarHBondContact CG-OG1 3.44Å; K302-S326 PolarHBondContact NZ-OG 3.32Å; K302-F328 HydrophobicContact CD-CB 4.2Å; K302-F328 PolarHBondContact NZ-O 3.4Å; K302-I331 HydrophobicContact CB-CG2 3.68Å; K302-I331 HydrophobicContact CD-CG2 4.3Å; K302-I331 HydrophobicContact CG-CG2 4.33Å; K302-I331 PolarHBondContact N-O 2.86Å
303	P	86.6	Confident	82.3	Confident	19 Å²	19	53.1 Å²	53.1	12%	0.123	31%	0.306	C	S	.	.			trans	-62	138.3	168.7	-21.6	32	0	0	0	111	S301 T305 S319 T321	S301-P303 WeakPolarHBondContact O-CD 3.41Å; P303-T305 PolarHBondContact O-N 3.48Å; P303-S319 VanDerWaalsContact CG-C 3.49Å; P303-S319 WeakPolarHBondContact CG-O 3.4Å; P303-T321 WeakPolarHBondContact CD-OG1 3.44Å; P303-T321 PolarHBondContact O-OG1 3.18Å
304	L	80.9	Confident	81.7	Confident	113 Å²	113	54.7 Å²	54.7	59%	0.592	31%	0.307	S	S	*	.	S	Bend	trans	-69.7	-16.8	177.7	-65.6	176.2	0	0	0	113.1
305	T	77.6	Confident	81.3	Confident	19 Å²	19	54.4 Å²	54.4	12%	0.117	31%	0.305	C	S	.	.	S	Bend	trans	-113.6	141.1	-173.7	55.2	0	0	0	0	111	Q216 M217 P303	Q216-T305 WeakPolarHBondContact CA-OG1 3.45Å; Q216-T305 HydrophobicContact CB-CG2 3.78Å; Q216-T305 HydrophobicContact CG-CG2 4.12Å; M217-T305 PolarHBondContact N-OG1 2.81Å; M217-T305 WeakPolarHBondContact O-CB 3.33Å; M217-T305 WeakPolarHBondContact O-CG2 3.32Å; P303-T305 PolarHBondContact O-N 3.48Å
306	Q	79.6	Confident	80.9	Confident	76 Å²	76	53.1 Å²	53.1	36%	0.355	30%	0.297	S	S	.	.			trans	-69.2	135.6	175.3	-168	178.6	2.7	0	0	110.6	T321 L322 L324	Q306-T321 CarbonylContact C-O 3.58Å; Q306-T321 WeakPolarHBondContact CA-O 3.04Å; Q306-L322 WeakPolarHBondContact CG-O 3.36Å; Q306-L322 PolarHBondContact NE2-O 3.1Å; Q306-L324 HydrophobicContact CB-CB 4.39Å; Q306-L324 HydrophobicContact CB-CD1 4.12Å
307	T	76.2	Confident	80.6	Confident	35 Å²	35	53.4 Å²	53.4	22%	0.215	29%	0.289	C	S	.	.			trans	-94.8	112.4	176.7	-47.2	0	0	0	0	108.8	I310 V320 T321	T307-I310 HydrophobicContact CG2-CD1 4.04Å; T307-I310 HydrophobicContact CG2-CG1 3.75Å; T307-V320 HydrophobicContact CG2-CB 4.42Å; T307-V320 HydrophobicContact CG2-CG1 3.98Å; T307-T321 PolarHBondContact N-O 3.01Å; T307-T321 PolarHBondContact OG1-N 2.8Å
308	T	66.7	Low	80.3	Confident	82 Å²	82	53.4 Å²	53.4	50%	0.503	29%	0.292	S	S	.	.			trans	-91.7	-22.3	-174.4	50.7	0	0	0	0	113.9
309	N	64.7	Low	80.1	Confident	117 Å²	117	54.2 Å²	54.2	63%	0.626	30%	0.299	S	S	*	.			trans	-115.3	75.4	-173.8	-71.6	-21.1	0	0	0	112
310	I	64.9	Low	79.9	Confident	34 Å²	34	53 Å²	53	17%	0.174	29%	0.292	C	S	.	.			trans	-103.9	122	171.6	-54.4	-164.2	0	0	0	109.7	T307 L312 V320 L322	T307-I310 HydrophobicContact CG2-CD1 4.04Å; T307-I310 HydrophobicContact CG2-CG1 3.75Å; I310-L312 PolarHBondContact O-N 2.63Å; I310-V320 HydrophobicContact CD1-CB 3.74Å; I310-V320 HydrophobicContact CD1-CG1 3.83Å; I310-V320 HydrophobicContact CD1-CG2 3.68Å; I310-L322 HydrophobicContact CD1-CD1 4.36Å; I310-L322 HydrophobicContact CD1-CD2 3.39Å; I310-L322 HydrophobicContact CD1-CG 3.94Å; I310-L322 HydrophobicContact CG1-CD2 3.96Å
311	S	68.9	Low	79.7	Confident	67 Å²	67	52.9 Å²	52.9	47%	0.469	29%	0.29	S	S	.	.			trans	-70.1	114.5	169.7	-173.3	0	0	0	0	109.5	N313 K314	S311-N313 PolarHBondContact O-N 3.13Å; S311-N313 VanDerWaalsContact O-N 3.1Å; S311-K314 PolarHBondContact O-N 3.05Å
312	L	66.3	Low	79.4	Confident	60 Å²	60	53 Å²	53	31%	0.314	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.2	175.7	-79.2	152.2	0	0	0	113.3	I270 Q271 P273 I310	I270-L312 HydrophobicContact CG2-CD1 4.46Å; Q271-L312 HydrophobicContact CB-CD2 4.28Å; Q271-L312 WeakPolarHBondContact O-CD1 3.43Å; Q271-L312 VanDerWaalsContact O-CD2 3.22Å; Q271-L312 WeakPolarHBondContact O-CD2 3.38Å; P273-L312 HydrophobicContact CB-CD2 4.08Å; I310-L312 PolarHBondContact O-N 2.63Å
313	N	69.5	Low	79.1	Confident	154 Å²	154	55.5 Å²	55.5	82%	0.824	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14	-175.9	-66.2	-18.1	0	0	0	113.6	S311	S311-N313 PolarHBondContact O-N 3.13Å; S311-N313 VanDerWaalsContact O-N 3.1Å
314	K	77.3	Confident	78.5	Confident	150 Å²	150	59.1 Å²	59.1	65%	0.652	32%	0.32	S	S	*	.	S	Bend	trans	-128.6	135.3	-178.6	-70	-175.5	-179.3	179.7	0	109.8	S311	S311-K314 PolarHBondContact O-N 3.05Å
315	P	82.3	Confident	78.4	Confident	49 Å²	49	63 Å²	63	32%	0.318	34%	0.335	S	S	.	.			trans	-64.2	151.3	175.6	26.8	-33.6	0	0	0	112.7	W277 L317	W277-P315 HydrophobicContact CH2-CB 3.56Å; W277-P315 HydrophobicContact CZ2-CB 3.94Å; W277-P315 HydrophobicContact CZ3-CB 4.35Å; P315-L317 PolarHBondContact O-N 3.11Å
316	P	85	Confident	78.6	Confident	12 Å²	12	63.2 Å²	63.2	8%	0.078	34%	0.337	C	S	.	.			trans	-65.5	131.4	175.2	27.9	-33.2	0	0	0	110.4	R155 W277 V320	R155-P316 PolarHBondContact NE-O 3.31Å; W277-P316 HydrophobicContact CD2-CG 4.2Å; W277-P316 HydrophobicContact CE3-CG 4.13Å; P316-V320 HydrophobicContact CB-CG1 4.11Å; P316-V320 HydrophobicContact CB-CG2 4.13Å; P316-V320 HydrophobicContact CG-CG2 4.27Å
317	L	85.2	Confident	79	Confident	44 Å²	44	62.8 Å²	62.8	23%	0.23	34%	0.337	C	S	.	.	S	Bend	trans	-82.1	-16.3	176.5	-69.3	168.9	0	0	0	112.6	P315 R396	P315-L317 PolarHBondContact O-N 3.11Å; L317-R396 HydrophobicContact CB-CB 4.11Å
318	S	87.5	Confident	79.3	Confident	22 Å²	22	61.1 Å²	61.1	15%	0.154	33%	0.327	C	S	.	.	S	Bend	trans	-134.7	167.8	179.9	55.8	0	0	0	0	110.8	V283	V283-S318 WeakPolarHBondContact CG2-O 3.19Å
319	S	91.1	Very high	80.3	Confident	24 Å²	24	62.2 Å²	62.2	17%	0.168	33%	0.325	C	S	.	.			trans	-64.5	138.1	176.2	-57.9	0	0	0	0	110.1	C281 V283 P303	C281-S319 CarbonylContact O-C 3.58Å; C281-S319 VanDerWaalsContact O-CA 3.24Å; C281-S319 WeakPolarHBondContact O-CA 3.24Å; V283-S319 PolarHBondContact N-OG 2.86Å; P303-S319 VanDerWaalsContact CG-C 3.49Å; P303-S319 WeakPolarHBondContact CG-O 3.4Å
320	V	90.3	Very high	81.5	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.5	-175	-67	0	0	0	0	111.6	C280 C281 T307 I310 P316	C280-V320 WeakPolarHBondContact CA-O 3.31Å; C280-V320 WeakPolarHBondContact CB-O 3.29Å; C281-V320 HydrophobicContact CB-CG2 3.74Å; C281-V320 PolarHBondContact N-O 3.23Å; C281-V320 PolarHBondContact O-N 3.31Å; T307-V320 HydrophobicContact CG2-CB 4.42Å; T307-V320 HydrophobicContact CG2-CG1 3.98Å; I310-V320 HydrophobicContact CD1-CB 3.74Å; I310-V320 HydrophobicContact CD1-CG1 3.83Å; I310-V320 HydrophobicContact CD1-CG2 3.68Å; P316-V320 HydrophobicContact CB-CG1 4.11Å; P316-V320 HydrophobicContact CB-CG2 4.13Å; P316-V320 HydrophobicContact CG-CG2 4.27Å
321	T	89.7	Confident	82.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.6	171.5	-64.9	0	0	0	0	108	K302 P303 Q306 T307 E323	K302-T321 WeakPolarHBondContact CG-OG1 3.44Å; P303-T321 WeakPolarHBondContact CD-OG1 3.44Å; P303-T321 PolarHBondContact O-OG1 3.18Å; Q306-T321 CarbonylContact C-O 3.58Å; Q306-T321 WeakPolarHBondContact CA-O 3.04Å; T307-T321 PolarHBondContact N-O 3.01Å; T307-T321 PolarHBondContact OG1-N 2.8Å; T321-E323 WeakPolarHBondContact CG2-O 3.36Å
322	L	86.1	Confident	84.1	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.079	27%	0.274	C	S	.	.	S	Bend	trans	-91.4	-33.1	-177	-78.6	175.3	0	0	0	112.6	P273 V274 W277 G278 T279 Q306 I310	P273-L322 HydrophobicContact CB-CD1 4.01Å; P273-L322 HydrophobicContact CB-CD2 4.29Å; P273-L322 WeakPolarHBondContact O-CD1 3.31Å; V274-L322 HydrophobicContact CG2-CB 4.11Å; W277-L322 HydrophobicContact CB-CD1 3.94Å; G278-L322 WeakPolarHBondContact O-CD1 3.31Å; T279-L322 PolarHBondContact O-N 2.66Å; Q306-L322 WeakPolarHBondContact CG-O 3.36Å; Q306-L322 PolarHBondContact NE2-O 3.1Å; I310-L322 HydrophobicContact CD1-CD1 4.36Å; I310-L322 HydrophobicContact CD1-CD2 3.39Å; I310-L322 HydrophobicContact CD1-CG 3.94Å; I310-L322 HydrophobicContact CG1-CD2 3.96Å
323	E	84.1	Confident	85.5	Confident	67 Å²	67	50.7 Å²	50.7	31%	0.313	26%	0.259	S	S	.	.			trans	-123.9	121.8	174	-68.6	-178.9	163.3	0	0	110.6	V274 T279 T321 S326	V274-E323 HydrophobicContact CG2-CG 3.99Å; T279-E323 HydrophobicContact CG2-CB 3.75Å; T279-E323 PolarHBondContact O-N 3.48Å; T321-E323 WeakPolarHBondContact CG2-O 3.36Å; E323-S326 PolarHBondContact O-OG 3.45Å
324	L	75.1	Confident	86.7	Confident	94 Å²	94	43.4 Å²	43.4	49%	0.492	22%	0.219	S	C	.	.	S	Bend	trans	-75	-43.8	-179.4	-155.3	77.6	0	0	0	111.4	Q306 S326	Q306-L324 HydrophobicContact CB-CB 4.39Å; Q306-L324 HydrophobicContact CB-CD1 4.12Å; L324-S326 PolarHBondContact O-N 2.98Å
325	E	78.5	Confident	87.6	Confident	196 Å²	196	36.3 Å²	36.3	92%	0.916	19%	0.189	S	C	*	.	S	Bend	trans	-76.5	68	174.7	-65	-171.6	177.7	0	0	110.7
326	S	82.3	Confident	88.2	Confident	22 Å²	22	37.5 Å²	37.5	15%	0.154	19%	0.189	C	C	.	.	S	Bend	trans	-116	156.4	175.4	50.2	0	0	0	0	111.5	D160 K302 E323 L324 F328	D160-S326 WeakPolarHBondContact OD2-CA 2.98Å; D160-S326 VanDerWaalsContact OD2-CB 3.3Å; D160-S326 WeakPolarHBondContact OD2-CB 3.48Å; K302-S326 PolarHBondContact NZ-OG 3.32Å; E323-S326 PolarHBondContact O-OG 3.45Å; L324-S326 PolarHBondContact O-N 2.98Å; S326-F328 PolarHBondContact O-N 3.01Å; S326-F328 VanDerWaalsContact O-N 3.16Å
327	N	86.4	Confident	88.7	Confident	67 Å²	67	38.3 Å²	38.3	36%	0.358	19%	0.193	S	C	.	.	S	Bend	trans	-64.9	-14.6	174.2	-72.4	-37.1	0	0	0	112.5	V43 M76 F78 D160 K329	V43-N327 WeakPolarHBondContact CG1-O 3.39Å; M76-N327 HydrophobicContact CE-CB 3.63Å; F78-N327 HydrophobicContact CE1-CB 3.69Å; F78-N327 HydrophobicContact CZ-CB 3.94Å; D160-N327 HydrophobicContact CB-CB 3.86Å; D160-N327 PolarHBondContact OD2-N 2.97Å; N327-K329 PolarHBondContact O-N 3.45Å
328	F	84.3	Confident	89.2	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.2	C	C	.	.			trans	-74.9	98.7	172.1	-64.9	-75.6	0	0	0	110.9	L41 F78 C158 W159 D160 K302 S326 I331	L41-F328 HydrophobicContact CD1-CD1 3.28Å; L41-F328 HydrophobicContact CD1-CE1 3.49Å; L41-F328 VanDerWaalsContact CD1-CE1 3.49Å; F78-F328 HydrophobicContact CB-CE1 4.33Å; F78-F328 HydrophobicContact CB-CZ 4.23Å; F78-F328 AromaticContact CD1-CD1 3.94Å; F78-F328 HydrophobicContact CD1-CD1 3.94Å; F78-F328 HydrophobicContact CD1-CD2 4.44Å; F78-F328 AromaticContact CD1-CE1 3.33Å; F78-F328 HydrophobicContact CD1-CE1 3.33Å; F78-F328 AromaticContact CD1-CE2 3.94Å; F78-F328 HydrophobicContact CD1-CE2 3.94Å; F78-F328 HydrophobicContact CD1-CG 4.45Å; F78-F328 AromaticContact CD1-CZ 3.34Å; F78-F328 HydrophobicContact CD1-CZ 3.34Å; F78-F328 AromaticContact CE1-CD1 3.99Å; F78-F328 HydrophobicContact CE1-CD1 3.99Å; F78-F328 HydrophobicContact CE1-CD2 4.47Å; F78-F328 AromaticContact CE1-CE1 3.87Å; F78-F328 HydrophobicContact CE1-CE1 3.87Å; F78-F328 HydrophobicContact CE1-CE2 4.39Å; F78-F328 HydrophobicContact CE1-CG 4.28Å; F78-F328 HydrophobicContact CE1-CZ 4.1Å; F78-F328 HydrophobicContact CG-CE1 4.06Å; F78-F328 HydrophobicContact CG-CZ 4.19Å; C158-F328 HydrophobicContact CB-CE1 4.39Å; C158-F328 HydrophobicContact CB-CE2 4.07Å; C158-F328 HydrophobicContact CB-CZ 3.76Å; W159-F328 WeakPolarHBondContact O-CZ 3.36Å; D160-F328 HydrophobicContact CB-CD2 3.95Å; D160-F328 HydrophobicContact CB-CE2 3.64Å; D160-F328 HydrophobicContact CB-CZ 4.34Å; K302-F328 HydrophobicContact CD-CB 4.2Å; K302-F328 PolarHBondContact NZ-O 3.4Å; S326-F328 PolarHBondContact O-N 3.01Å; S326-F328 VanDerWaalsContact O-N 3.16Å; F328-I331 HydrophobicContact CD1-CB 4.29Å; F328-I331 HydrophobicContact CD1-CD1 4.32Å; F328-I331 HydrophobicContact CD1-CG2 4.44Å; F328-I331 HydrophobicContact CE1-CD1 4.02Å
329	K	87.4	Confident	89.4	Confident	105 Å²	105	41.7 Å²	41.7	46%	0.457	21%	0.213	S	C	.	.	S	Bend	trans	-65.7	-43.7	170.5	-169.9	174.3	-176.8	178.7	0	110.6	A42 D123 T124 N327	A42-K329 HydrophobicContact CB-CB 4.4Å; A42-K329 WeakPolarHBondContact O-CB 3.5Å; A42-K329 PolarHBondContact O-N 3.2Å; D123-K329 PolarHBondContact O-NZ 3.43Å; T124-K329 HydrophobicContact CG2-CD 3.86Å; T124-K329 WeakPolarHBondContact OG1-CE 3.32Å; T124-K329 PolarHBondContact OG1-NZ 2.88Å; N327-K329 PolarHBondContact O-N 3.45Å
330	D	89.8	Confident	89.5	Confident	30 Å²	30	44.2 Å²	44.2	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.7	167.9	-160.6	-0.9	0	0	0	109.1	A42 W126	A42-D330 HydrophobicContact CB-CB 3.8Å; A42-D330 WeakPolarHBondContact CB-O 3.48Å; A42-D330 PolarHBondContact N-O 3.23Å; A42-D330 PolarHBondContact O-N 2.7Å; W126-D330 HydrophobicContact CH2-CB 4.46Å
331	I	93	Very high	89.7	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.4	168.8	-173.8	172.3	0	0	0	109.7	V40 L41 L80 C158 L282 S301 K302 F328	V40-I331 WeakPolarHBondContact O-CA 3.4Å; L41-I331 HydrophobicContact CD1-CD1 4.48Å; L80-I331 HydrophobicContact CD2-CD1 3.73Å; C158-I331 HydrophobicContact CB-CD1 4.48Å; L282-I331 HydrophobicContact CD1-CD1 4.44Å; L282-I331 HydrophobicContact CD1-CG1 4.11Å; L282-I331 HydrophobicContact CD1-CG2 4.06Å; L282-I331 HydrophobicContact CD2-CG2 4.28Å; L282-I331 HydrophobicContact CG-CG2 4.46Å; S301-I331 CarbonylContact C-O 3.52Å; S301-I331 VanDerWaalsContact CA-O 3.32Å; S301-I331 WeakPolarHBondContact CA-O 3.49Å; K302-I331 HydrophobicContact CB-CG2 3.68Å; K302-I331 HydrophobicContact CD-CG2 4.3Å; K302-I331 HydrophobicContact CG-CG2 4.33Å; K302-I331 PolarHBondContact N-O 2.86Å; F328-I331 HydrophobicContact CD1-CB 4.29Å; F328-I331 HydrophobicContact CD1-CD1 4.32Å; F328-I331 HydrophobicContact CD1-CG2 4.44Å; F328-I331 HydrophobicContact CE1-CD1 4.02Å
332	L	94	Very high	90	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.2	-175.3	176.1	89.7	0	0	0	108.6	V40 L205 V299 A300	V40-L332 HydrophobicContact CB-CB 4.09Å; V40-L332 HydrophobicContact CB-CD2 4.31Å; V40-L332 HydrophobicContact CG2-CD2 4.23Å; V40-L332 PolarHBondContact N-O 3.37Å; V40-L332 PolarHBondContact O-N 3.13Å; L205-L332 HydrophobicContact CB-CD2 3.57Å; L205-L332 HydrophobicContact CD1-CD2 3.97Å; L205-L332 HydrophobicContact CG-CD2 4.45Å; V299-L332 HydrophobicContact CG1-CD1 3.27Å; V299-L332 HydrophobicContact CG1-CG 3.99Å; A300-L332 CarbonylContact O-C 3.58Å; A300-L332 WeakPolarHBondContact O-CA 3.22Å
333	V	95.7	Very high	90.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.5	175.3	-175.6	0	0	0	0	109	L37 T38 F39 I156 L282 L284 V299 A300	L37-V333 HydrophobicContact CD2-CG1 4.41Å; T38-V333 WeakPolarHBondContact O-CA 3.08Å; F39-V333 HydrophobicContact CD1-CB 4.41Å; F39-V333 HydrophobicContact CD1-CG1 4.07Å; F39-V333 HydrophobicContact CD1-CG2 3.45Å; F39-V333 VanDerWaalsContact CD1-CG2 3.45Å; F39-V333 HydrophobicContact CE1-CG1 4.01Å; F39-V333 HydrophobicContact CE1-CG2 3.84Å; F39-V333 HydrophobicContact CG-CG2 4.31Å; F39-V333 HydrophobicContact CZ-CG1 4.43Å; I156-V333 HydrophobicContact CD1-CB 3.81Å; I156-V333 HydrophobicContact CD1-CG1 3.59Å; I156-V333 HydrophobicContact CD1-CG2 3.79Å; L282-V333 HydrophobicContact CD1-CB 4.41Å; L282-V333 HydrophobicContact CD1-CG2 3.73Å; L284-V333 HydrophobicContact CD1-CG1 4.22Å; V299-V333 WeakPolarHBondContact CA-O 3.38Å; A300-V333 PolarHBondContact N-O 3.25Å; A300-V333 PolarHBondContact O-N 3.02Å
334	G	96.3	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.4	168.9	0	0	0	0	0	110.6	L37 T38 I298	L37-G334 CarbonylContact C-O 3.44Å; L37-G334 WeakPolarHBondContact CA-O 3.22Å; T38-G334 PolarHBondContact N-O 3.22Å; T38-G334 PolarHBondContact O-N 2.92Å; I298-G334 CarbonylContact O-C 3.53Å; I298-G334 WeakPolarHBondContact O-CA 3.49Å
335	M	96	Very high	91.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.6	172	-177.5	179.3	71.8	0	0	110.2	I35 I36 L37 I154 L284 T286 L289 I298	I35-M335 HydrophobicContact CG2-CG 4.1Å; I35-M335 HydrophobicContact CG2-SD 4.27Å; I36-M335 WeakPolarHBondContact O-CA 3.32Å; L37-M335 HydrophobicContact CD2-CB 3.68Å; L37-M335 HydrophobicContact CD2-CG 3.69Å; L37-M335 HydrophobicContact CD2-SD 4.21Å; I154-M335 HydrophobicContact CD1-CE 4.45Å; I154-M335 HydrophobicContact CD1-SD 3.83Å; L284-M335 HydrophobicContact CB-CE 4.44Å; L284-M335 HydrophobicContact CD1-CB 3.88Å; L284-M335 HydrophobicContact CD1-SD 4.18Å; L284-M335 HydrophobicContact CD2-CB 4.15Å; T286-M335 HydrophobicContact CG2-CE 4.36Å; L289-M335 HydrophobicContact CD1-CE 3.88Å; L289-M335 HydrophobicContact CD2-CE 4.3Å; L289-M335 HydrophobicContact CG-CE 4.24Å; I298-M335 HydrophobicContact CB-CE 4.34Å; I298-M335 HydrophobicContact CD1-CE 3.68Å; I298-M335 HydrophobicContact CG2-CE 4.48Å; I298-M335 PolarHBondContact N-O 2.9Å; I298-M335 PolarHBondContact O-N 2.94Å
336	K	95.2	Very high	92.2	Very high	74 Å²	74	37.8 Å²	37.8	32%	0.322	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164	165.3	68	175.4	179.8	171.5	0	110.3	I36 G296 W297	I36-K336 HydrophobicContact CB-CG 3.92Å; I36-K336 HydrophobicContact CD1-CG 4.37Å; I36-K336 HydrophobicContact CG2-CG 4.43Å; I36-K336 PolarHBondContact N-O 2.88Å; I36-K336 PolarHBondContact O-N 2.92Å; G296-K336 WeakPolarHBondContact O-CB 3.4Å; W297-K336 HydrophobicContact CD2-CB 4.3Å; W297-K336 HydrophobicContact CD2-CD 4.13Å; W297-K336 HydrophobicContact CD2-CG 4.32Å; W297-K336 HydrophobicContact CE3-CB 3.99Å; W297-K336 HydrophobicContact CE3-CD 4.24Å; W297-K336 HydrophobicContact CE3-CG 3.96Å; W297-K336 HydrophobicContact CH2-CD 3.84Å; W297-K336 HydrophobicContact CH2-CG 3.94Å; W297-K336 HydrophobicContact CZ2-CD 3.69Å; W297-K336 HydrophobicContact CZ2-CG 4.28Å; W297-K336 HydrophobicContact CZ3-CB 4.28Å; W297-K336 HydrophobicContact CZ3-CD 4.11Å; W297-K336 HydrophobicContact CZ3-CG 3.77Å
337	L	95.1	Very high	92.7	Very high	30 Å²	30	37.9 Å²	37.9	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.2	169	-56.8	-179	0	0	0	109.8	D34 I35 L289 N339 L341	D34-L337 WeakPolarHBondContact O-CA 3.5Å; I35-L337 HydrophobicContact CB-CD2 4.23Å; I35-L337 HydrophobicContact CG1-CD2 3.57Å; I35-L337 HydrophobicContact CG2-CD2 4.49Å; L289-L337 HydrophobicContact CD1-CD1 4.28Å; L289-L337 HydrophobicContact CD2-CD1 3.78Å; L289-L337 HydrophobicContact CD2-CG 3.77Å; L289-L337 HydrophobicContact CG-CD1 4.45Å; L337-N339 WeakPolarHBondContact CB-O 3.33Å; L337-L341 HydrophobicContact CD1-CB 3.86Å; L337-L341 HydrophobicContact CD1-CD1 4.31Å
338	S	94.6	Very high	92.9	Very high	55 Å²	55	40.8 Å²	40.8	39%	0.385	21%	0.21	S	C	.	.	S	Bend	trans	-69.5	-40.5	171.8	56.6	0	0	0	0	111.7	T33 D34	T33-S338 PolarHBondContact OG1-OG 2.88Å; D34-S338 PolarHBondContact N-OG 3.34Å; D34-S338 PolarHBondContact O-N 3.12Å
339	N	93	Very high	93.3	Very high	81 Å²	81	45 Å²	45	43%	0.433	23%	0.228	S	C	.	.	S	Bend	trans	-119.4	156.4	173.4	-61.2	-39.4	0	0	0	110.7	T32 T33 L337	T32-N339 PolarHBondContact O-ND2 3.36Å; T32-N339 VanDerWaalsContact O-ND2 3.15Å; T33-N339 PolarHBondContact OG1-N 3.31Å; T33-N339 PolarHBondContact OG1-O 2.87Å; L337-N339 WeakPolarHBondContact CB-O 3.33Å
340	P	93	Very high	93.6	Very high	77 Å²	77	40 Å²	40	50%	0.5	21%	0.207	S	C	.	.			trans	-51.5	150.1	175.1	-25.9	35	0	0	0	113	H31 M342	H31-P340 PolarHBondContact NE2-O 3.25Å; P340-M342 VanDerWaalsContact C-N 3.32Å; P340-M342 PolarHBondContact O-N 2.88Å
341	L	95.1	Very high	93.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	-59.8	-43.5	179.3	178.3	63.7	0	0	0	111.4	H31 I137 F145 L289 F290 L337	H31-L341 PolarHBondContact CE1-O 2.84Å; H31-L341 PolarHBondContact NE2-O 2.95Å; I137-L341 HydrophobicContact CD1-CD1 3.98Å; I137-L341 VanDerWaalsContact CG2-O 3.3Å; I137-L341 WeakPolarHBondContact CG2-O 3.48Å; F145-L341 HydrophobicContact CB-CD2 4.09Å; F145-L341 HydrophobicContact CD2-CD1 3.63Å; F145-L341 HydrophobicContact CE2-CD1 3.91Å; F145-L341 HydrophobicContact CG-CD1 4.15Å; F145-L341 HydrophobicContact CG-CD2 4.28Å; L289-L341 HydrophobicContact CB-CB 4.18Å; L289-L341 HydrophobicContact CB-CD2 3.9Å; F290-L341 HydrophobicContact CD1-CD2 4.24Å; F290-L341 HydrophobicContact CD2-CD2 4.05Å; F290-L341 HydrophobicContact CE1-CD2 3.92Å; F290-L341 HydrophobicContact CE2-CD2 3.7Å; F290-L341 HydrophobicContact CG-CD2 4.29Å; F290-L341 HydrophobicContact CZ-CD2 3.62Å; L337-L341 HydrophobicContact CD1-CB 3.86Å; L337-L341 HydrophobicContact CD1-CD1 4.31Å
342	M	94.8	Very high	93.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.02	21%	0.205	C	C	.	.	S	Bend	trans	-108.5	136.3	177.9	-66.7	171.3	-74.1	0	0	109.9	I142 F290 P340 Q346 R347 F350 P352	I142-M342 HydrophobicContact CD1-CG 3.77Å; I142-M342 HydrophobicContact CG1-CG 4.1Å; I142-M342 HydrophobicContact CG2-CG 4.19Å; I142-M342 HydrophobicContact CG2-SD 4.21Å; F290-M342 HydrophobicContact CB-CE 4.21Å; F290-M342 HydrophobicContact CD1-CE 3.64Å; F290-M342 HydrophobicContact CD1-SD 4.22Å; F290-M342 HydrophobicContact CE1-CE 4.46Å; F290-M342 HydrophobicContact CG-CE 4.33Å; P340-M342 VanDerWaalsContact C-N 3.32Å; P340-M342 PolarHBondContact O-N 2.88Å; M342-Q346 HydrophobicContact CB-CB 4.11Å; M342-Q346 HydrophobicContact CG-CB 4.49Å; M342-R347 HydrophobicContact CB-CB 4.21Å; M342-F350 HydrophobicContact SD-CB 4.22Å; M342-P352 HydrophobicContact CE-CG 4.07Å
343	S	93	Very high	94	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.133	20%	0.204	C	C	.	.			trans	-60.7	168.6	162.3	74.8	0	0	0	0	110.6	E29 H31 H345 Q346 R347	E29-S343 VanDerWaalsContact CD-OG 3.24Å; E29-S343 PolarHBondContact OE1-OG 2.84Å; E29-S343 PolarHBondContact OE2-OG 2.92Å; H31-S343 PolarHBondContact CE1-N 3.4Å; S343-H345 VanDerWaalsContact C-N 3.28Å; S343-H345 PolarHBondContact O-N 3.1Å; S343-H345 PolarHBondContact OG-N 3.43Å; S343-Q346 VanDerWaalsContact OG-CB 3.31Å; S343-Q346 WeakPolarHBondContact OG-CB 2.99Å; S343-Q346 VanDerWaalsContact OG-CG 3.3Å; S343-Q346 WeakPolarHBondContact OG-CG 3.2Å; S343-Q346 PolarHBondContact OG-N 2.82Å; S343-R347 VanDerWaalsContact O-CB 3.23Å; S343-R347 WeakPolarHBondContact O-CB 3.26Å; S343-R347 PolarHBondContact O-N 3.4Å
344	D	90.8	Very high	94.1	Very high	132 Å²	132	39.7 Å²	39.7	71%	0.706	20%	0.204	S	C	*	.	H	α-helix	trans	-62.6	-37.6	175.4	-73.2	-32.5	0	0	0	111.8	R347 Q348	D344-R347 PolarHBondContact O-N 2.84Å; D344-Q348 VanDerWaalsContact O-CG 3.32Å; D344-Q348 WeakPolarHBondContact O-CG 3.5Å; D344-Q348 PolarHBondContact O-N 3.43Å; D344-Q348 VanDerWaalsContact O-N 3.07Å
345	H	91.8	Very high	94.1	Very high	89 Å²	89	39.7 Å²	39.7	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-75.5	-42.5	179	163.1	-87.7	0	0	0	112.1	E29 S343 R347 Q348 K349	E29-H345 WeakPolarHBondContact OE2-CB 3.18Å; E29-H345 IonicContact OE2-CG 3.83Å; E29-H345 VanDerWaalsContact OE2-CG 3.29Å; E29-H345 IonicContact OE2-ND1 2.72Å; E29-H345 PolarHBondContact OE2-ND1 3.11Å; S343-H345 VanDerWaalsContact C-N 3.28Å; S343-H345 PolarHBondContact O-N 3.1Å; S343-H345 PolarHBondContact OG-N 3.43Å; H345-R347 VanDerWaalsContact C-N 3.28Å; H345-R347 PolarHBondContact O-N 3.47Å; H345-Q348 WeakPolarHBondContact O-CB 3.37Å; H345-Q348 PolarHBondContact O-N 3.11Å; H345-Q348 VanDerWaalsContact O-N 3.08Å; H345-K349 PolarHBondContact O-N 2.9Å
346	Q	94.2	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-40.7	168.7	-73.1	171.2	-19.3	0	0	111.8	E29 H31 I137 I142 M342 S343 Q348 K349 F350	E29-Q346 PolarHBondContact O-NE2 2.86Å; E29-Q346 PolarHBondContact OE2-N 3.45Å; H31-Q346 PolarHBondContact CE1-OE1 3.35Å; H31-Q346 PolarHBondContact ND1-OE1 3.02Å; I137-Q346 PolarHBondContact O-NE2 3.29Å; I142-Q346 HydrophobicContact CD1-CB 3.98Å; I142-Q346 VanDerWaalsContact CD1-CD 3.48Å; I142-Q346 HydrophobicContact CD1-CG 3.99Å; M342-Q346 HydrophobicContact CB-CB 4.11Å; M342-Q346 HydrophobicContact CG-CB 4.49Å; S343-Q346 VanDerWaalsContact OG-CB 3.31Å; S343-Q346 WeakPolarHBondContact OG-CB 2.99Å; S343-Q346 VanDerWaalsContact OG-CG 3.3Å; S343-Q346 WeakPolarHBondContact OG-CG 3.2Å; S343-Q346 PolarHBondContact OG-N 2.82Å; Q346-Q348 VanDerWaalsContact C-N 3.31Å; Q346-Q348 PolarHBondContact O-N 2.82Å; Q346-K349 WeakPolarHBondContact O-CB 3.49Å; Q346-K349 PolarHBondContact O-N 2.86Å; Q346-K349 VanDerWaalsContact O-N 3.16Å; Q346-F350 HydrophobicContact CB-CD2 4.43Å; Q346-F350 WeakPolarHBondContact O-CB 3.38Å; Q346-F350 VanDerWaalsContact O-CD2 3.31Å; Q346-F350 WeakPolarHBondContact O-CD2 3.24Å; Q346-F350 PolarHBondContact O-N 3.3Å
347	R	93.6	Very high	94.2	Very high	24 Å²	24	36.4 Å²	36.4	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-36	176.9	-173.6	175.3	-67.2	-86	3.3	112.1	F290 R291 M342 S343 D344 H345 Q351 N567	F290-R347 PolarHBondContact O-NH1 3.32Å; F290-R347 PolarHBondContact O-NH2 2.8Å; R291-R347 PolarHBondContact O-NH2 2.73Å; M342-R347 HydrophobicContact CB-CB 4.21Å; S343-R347 VanDerWaalsContact O-CB 3.23Å; S343-R347 WeakPolarHBondContact O-CB 3.26Å; S343-R347 PolarHBondContact O-N 3.4Å; D344-R347 PolarHBondContact O-N 2.84Å; H345-R347 VanDerWaalsContact C-N 3.28Å; H345-R347 PolarHBondContact O-N 3.47Å; R347-Q351 WeakPolarHBondContact O-CA 3.46Å; R347-Q351 PolarHBondContact O-N 3.23Å; R347-N567 HydrophobicContact CG-CB 4.22Å
348	Q	90.7	Very high	94.1	Very high	128 Å²	128	37.9 Å²	37.9	60%	0.598	20%	0.199	S	C	*	.	H	α-helix	trans	-70.7	-29.5	173.1	-72.2	177.4	25.3	0	0	113.3	D344 H345 Q346 Q351	D344-Q348 VanDerWaalsContact O-CG 3.32Å; D344-Q348 WeakPolarHBondContact O-CG 3.5Å; D344-Q348 PolarHBondContact O-N 3.43Å; D344-Q348 VanDerWaalsContact O-N 3.07Å; H345-Q348 WeakPolarHBondContact O-CB 3.37Å; H345-Q348 PolarHBondContact O-N 3.11Å; H345-Q348 VanDerWaalsContact O-N 3.08Å; Q346-Q348 VanDerWaalsContact C-N 3.31Å; Q346-Q348 PolarHBondContact O-N 2.82Å; Q348-Q351 WeakPolarHBondContact O-CG 3.43Å; Q348-Q351 PolarHBondContact O-NE2 2.85Å
349	K	91.9	Very high	94.1	Very high	88 Å²	88	39.2 Å²	39.2	38%	0.383	20%	0.195	S	C	.	.	H	α-helix	trans	-72.5	-49.9	173.3	-176	175.4	-175.5	168.6	0	111.6	D139 H345 Q346 Y415	D139-K349 VanDerWaalsContact OD2-CE 3.26Å; D139-K349 WeakPolarHBondContact OD2-CE 3.27Å; D139-K349 IonicContact OD2-NZ 3.9Å; D139-K349 PolarHBondContact OD2-NZ 2.88Å; H345-K349 PolarHBondContact O-N 2.9Å; Q346-K349 WeakPolarHBondContact O-CB 3.49Å; Q346-K349 PolarHBondContact O-N 2.86Å; Q346-K349 VanDerWaalsContact O-N 3.16Å; K349-Y415 WeakPolarHBondContact O-CB 3.07Å
350	F	94.4	Very high	94.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-79	-27.2	-174.9	-78.8	-72.7	0	0	0	114.9	D139 I142 I143 M342 Q346 L413 T414 Y415	D139-F350 HydrophobicContact CB-CE2 4.08Å; D139-F350 HydrophobicContact CB-CZ 3.82Å; D139-F350 WeakPolarHBondContact OD1-CE2 3.47Å; I142-F350 HydrophobicContact CB-CE2 3.98Å; I142-F350 HydrophobicContact CB-CZ 4.1Å; I142-F350 HydrophobicContact CD1-CD2 3.93Å; I142-F350 HydrophobicContact CD1-CE2 3.53Å; I142-F350 HydrophobicContact CD1-CZ 4.43Å; I142-F350 HydrophobicContact CG1-CE2 4.36Å; I142-F350 HydrophobicContact CG2-CD1 4.38Å; I142-F350 HydrophobicContact CG2-CD2 3.94Å; I142-F350 HydrophobicContact CG2-CE1 4.29Å; I142-F350 HydrophobicContact CG2-CE2 3.85Å; I142-F350 HydrophobicContact CG2-CG 4.21Å; I142-F350 HydrophobicContact CG2-CZ 4.02Å; I143-F350 HydrophobicContact CD1-CE1 4.22Å; I143-F350 HydrophobicContact CD1-CZ 4.42Å; I143-F350 HydrophobicContact CG1-CE1 3.86Å; I143-F350 HydrophobicContact CG1-CZ 4.18Å; M342-F350 HydrophobicContact SD-CB 4.22Å; Q346-F350 HydrophobicContact CB-CD2 4.43Å; Q346-F350 WeakPolarHBondContact O-CB 3.38Å; Q346-F350 VanDerWaalsContact O-CD2 3.31Å; Q346-F350 WeakPolarHBondContact O-CD2 3.24Å; Q346-F350 PolarHBondContact O-N 3.3Å; F350-L413 HydrophobicContact CB-CD2 4.41Å; F350-L413 HydrophobicContact CD1-CD1 3.96Å; F350-L413 HydrophobicContact CE1-CD1 4.36Å; F350-T414 PolarHBondContact O-N 2.82Å; F350-Y415 AromaticContact CD1-CD1 3.56Å; F350-Y415 HydrophobicContact CD1-CD1 3.56Å; F350-Y415 HydrophobicContact CD1-CD2 4.41Å; F350-Y415 HydrophobicContact CD1-CE1 4.01Å; F350-Y415 AromaticContact CD1-CG 3.78Å; F350-Y415 HydrophobicContact CD1-CG 3.78Å; F350-Y415 AromaticContact CE1-CD1 3.93Å; F350-Y415 HydrophobicContact CE1-CD1 3.93Å; F350-Y415 HydrophobicContact CE1-CD2 4.23Å; F350-Y415 AromaticContact CE1-CE1 3.99Å; F350-Y415 HydrophobicContact CE1-CE1 3.99Å; F350-Y415 HydrophobicContact CE1-CE2 4.3Å; F350-Y415 HydrophobicContact CE1-CG 4.05Å
351	Q	93.8	Very high	94.4	Very high	28 Å²	28	32.3 Å²	32.3	13%	0.131	15%	0.154	C	C	.	.			trans	44.1	54.8	177.2	-56.7	-172.2	-7.3	0	0	114.7	R347 Q348 T414 N567 I568	R347-Q351 WeakPolarHBondContact O-CA 3.46Å; R347-Q351 PolarHBondContact O-N 3.23Å; Q348-Q351 WeakPolarHBondContact O-CG 3.43Å; Q348-Q351 PolarHBondContact O-NE2 2.85Å; Q351-T414 WeakPolarHBondContact CB-OG1 3.04Å; Q351-T414 PolarHBondContact O-OG1 2.55Å; Q351-N567 WeakPolarHBondContact CA-O 3.21Å; Q351-I568 HydrophobicContact CB-CG1 3.81Å
352	P	95.8	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.			trans	-64.2	143.2	-173.3	27.5	-36.5	0	0	0	113.2	M342 I354 V411 I412 L413 N567	M342-P352 HydrophobicContact CE-CG 4.07Å; P352-I354 HydrophobicContact CB-CD1 4.41Å; P352-I354 HydrophobicContact CB-CG1 4.15Å; P352-V411 HydrophobicContact CB-CG1 4.34Å; P352-I412 CarbonylContact C-O 3.58Å; P352-I412 WeakPolarHBondContact CA-O 3.08Å; P352-L413 HydrophobicContact CB-CD2 3.95Å; P352-N567 HydrophobicContact CG-CB 3.95Å; P352-N567 PolarHBondContact O-N 3.2Å
353	I	96	Very high	94.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.3	160.1	-52.5	176.8	0	0	0	107.5	L355 F387 I412 T414 L505 E565 M566 I568	I353-L355 HydrophobicContact CG2-CD2 4.39Å; I353-F387 HydrophobicContact CD1-CE1 4.36Å; I353-I412 HydrophobicContact CB-CB 4.22Å; I353-I412 PolarHBondContact N-O 3.26Å; I353-I412 PolarHBondContact O-N 3.43Å; I353-T414 HydrophobicContact CD1-CG2 3.98Å; I353-T414 HydrophobicContact CG1-CG2 4.03Å; I353-L505 HydrophobicContact CD1-CD1 4.49Å; I353-E565 CarbonylContact C-O 3.57Å; I353-E565 WeakPolarHBondContact CA-O 3.45Å; I353-M566 HydrophobicContact CG1-CG 4.3Å; I353-I568 HydrophobicContact CD1-CD1 3.81Å; I353-I568 HydrophobicContact CG1-CD1 3.78Å
354	I	97	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.6	-173	-51.2	171.3	0	0	0	109.1	F290 R291 P352 V409 Q410 V411 I564 E565	F290-I354 HydrophobicContact CB-CD1 4.02Å; F290-I354 WeakPolarHBondContact O-CD1 3.44Å; R291-I354 HydrophobicContact CG-CD1 4.46Å; R291-I354 HydrophobicContact CG-CG2 4.07Å; P352-I354 HydrophobicContact CB-CD1 4.41Å; P352-I354 HydrophobicContact CB-CG1 4.15Å; I354-V409 HydrophobicContact CG2-CG1 3.54Å; I354-Q410 CarbonylContact C-O 3.52Å; I354-Q410 WeakPolarHBondContact CA-O 3.38Å; I354-V411 HydrophobicContact CG2-CG2 4.46Å; I354-I564 CarbonylContact O-C 3.58Å; I354-I564 WeakPolarHBondContact O-CA 3.47Å; I354-E565 HydrophobicContact CB-CB 4.17Å; I354-E565 PolarHBondContact N-O 3.28Å; I354-E565 PolarHBondContact O-N 2.93Å
355	L	97.4	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.5	178	-50.9	176	0	0	0	108.3	I353 T385 V409 Q410 V431 L503 I564	I353-L355 HydrophobicContact CG2-CD2 4.39Å; L355-T385 HydrophobicContact CD1-CG2 4.22Å; L355-V409 WeakPolarHBondContact O-CA 3.2Å; L355-Q410 HydrophobicContact CB-CB 4.28Å; L355-Q410 PolarHBondContact N-O 3.4Å; L355-Q410 PolarHBondContact O-N 2.88Å; L355-V431 HydrophobicContact CD1-CG1 3.84Å; L355-L503 HydrophobicContact CD2-CD2 3.82Å; L355-I564 HydrophobicContact CD2-CB 4.45Å; L355-I564 HydrophobicContact CD2-CG1 4.1Å; L355-I564 HydrophobicContact CD2-CG2 4.06Å
356	T	96.2	Very high	94.4	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.4	174.3	-56.5	0	0	0	0	109	E408 V409 I562 E563	T356-E408 CarbonylContact C-O 3.53Å; T356-E408 VanDerWaalsContact CA-O 3.31Å; T356-E408 WeakPolarHBondContact CA-O 3.39Å; T356-V409 HydrophobicContact CG2-CG2 4.08Å; T356-I562 CarbonylContact O-C 3.57Å; T356-I562 WeakPolarHBondContact O-CA 3.22Å; T356-E563 PolarHBondContact N-O 3.38Å; T356-E563 PolarHBondContact O-N 2.91Å
357	I	95.9	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.8	177.9	-47.5	178.2	0	0	0	107.8	L383 M406 E408 I433 I560 I562	I357-L383 HydrophobicContact CD1-CD1 3.7Å; I357-L383 HydrophobicContact CG2-CD1 4.38Å; I357-M406 HydrophobicContact CG2-CB 4.5Å; I357-M406 HydrophobicContact CG2-SD 3.78Å; I357-M406 CarbonylContact O-C 3.14Å; I357-M406 WeakPolarHBondContact O-CB 3.19Å; I357-E408 HydrophobicContact CB-CB 4Å; I357-E408 HydrophobicContact CD1-CB 4.43Å; I357-E408 HydrophobicContact CD1-CG 4.42Å; I357-E408 HydrophobicContact CG1-CB 4.37Å; I357-E408 PolarHBondContact N-O 3.14Å; I357-E408 PolarHBondContact O-N 3.06Å; I357-I433 HydrophobicContact CD1-CD1 4.43Å; I357-I560 HydrophobicContact CG2-CD1 3.52Å; I357-I560 HydrophobicContact CG2-CG1 3.74Å; I357-I562 HydrophobicContact CG1-CG1 4.41Å; I357-I562 HydrophobicContact CG2-CG1 4.44Å
358	D	92.9	Very high	93.8	Very high	61 Å²	61	30.7 Å²	30.7	33%	0.326	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-40.6	-170.3	-172.5	50.3	0	0	0	113.2	K210 M406 S561	K210-D358 IonicContact NZ-OD1 3.82Å; K210-D358 PolarHBondContact NZ-OD1 2.9Å; D358-M406 CarbonylContact C-O 3.52Å; D358-M406 WeakPolarHBondContact CA-O 3.45Å; D358-M406 CarbonylContact O-C 3.56Å; D358-M406 PolarHBondContact O-N 2.84Å; D358-S561 PolarHBondContact N-O 3.47Å
359	R	94.6	Very high	93.8	Very high	82 Å²	82	34.6 Å²	34.6	31%	0.309	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	150.3	-177.2	55.3	-167.8	-166.2	141.4	19.2	112.7	H361 I404 Y405 I560 S561	R359-H361 WeakPolarHBondContact CD-NE2 3.5Å; R359-H361 VanDerWaalsContact CG-NE2 3.26Å; R359-H361 WeakPolarHBondContact CG-NE2 3.36Å; R359-H361 PolarHBondContact NE-NE2 2.99Å; R359-H361 PolarHBondContact NH1-CE1 2.97Å; R359-H361 PolarHBondContact NH1-NE2 2.96Å; R359-H361 VanDerWaalsContact NH1-NE2 3.12Å; R359-H361 PolarHBondContact NH2-NE2 3.41Å; R359-H361 VanDerWaalsContact NH2-NE2 3.2Å; R359-I404 CarbonylContact C-O 3.57Å; R359-I404 WeakPolarHBondContact CA-O 2.94Å; R359-Y405 HydrophobicContact CB-CD1 4.2Å; R359-I560 WeakPolarHBondContact O-CA 3.38Å; R359-S561 PolarHBondContact O-N 3.38Å
360	L	95.9	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	167.5	-177.4	162.9	0	0	0	108.5	L363 L381 I404 M406 L435 I522 E559	L360-L363 HydrophobicContact CD1-CD1 4.3Å; L360-L363 HydrophobicContact CD2-CB 3.68Å; L360-L363 HydrophobicContact CD2-CD1 3.79Å; L360-L363 HydrophobicContact CD2-CG 4.32Å; L360-L381 HydrophobicContact CD1-CD1 4.26Å; L360-I404 HydrophobicContact CB-CB 4.23Å; L360-I404 HydrophobicContact CD2-CD1 4.35Å; L360-I404 PolarHBondContact N-O 2.76Å; L360-I404 PolarHBondContact O-N 2.97Å; L360-M406 HydrophobicContact CB-CE 3.78Å; L360-M406 HydrophobicContact CD1-CE 4.16Å; L360-L435 HydrophobicContact CD1-CD1 4.14Å; L360-L435 HydrophobicContact CD1-CD2 4.42Å; L360-I522 HydrophobicContact CD1-CD1 3.51Å; L360-I522 HydrophobicContact CD2-CD1 4.3Å; L360-I522 HydrophobicContact CG-CD1 3.59Å; L360-E559 CarbonylContact C-O 3.58Å; L360-E559 WeakPolarHBondContact CA-O 3.1Å
361	H	95.8	Very high	93.9	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.065	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.8	-179.1	-77.6	-69.5	0	0	0	112.5	R359 L363 K402 E403 C558 E559	R359-H361 WeakPolarHBondContact CD-NE2 3.5Å; R359-H361 VanDerWaalsContact CG-NE2 3.26Å; R359-H361 WeakPolarHBondContact CG-NE2 3.36Å; R359-H361 PolarHBondContact NE-NE2 2.99Å; R359-H361 PolarHBondContact NH1-CE1 2.97Å; R359-H361 PolarHBondContact NH1-NE2 2.96Å; R359-H361 VanDerWaalsContact NH1-NE2 3.12Å; R359-H361 PolarHBondContact NH2-NE2 3.41Å; R359-H361 VanDerWaalsContact NH2-NE2 3.2Å; H361-L363 VanDerWaalsContact C-N 3.29Å; H361-L363 PolarHBondContact O-N 3.45Å; H361-K402 CarbonylContact C-O 3.41Å; H361-E403 IonicContact CE1-OE1 3.74Å; H361-E403 IonicContact CE1-OE2 3.17Å; H361-E403 PolarHBondContact CE1-OE2 2.97Å; H361-E403 IonicContact CG-OE1 2.61Å; H361-E403 IonicContact CG-OE2 3.26Å; H361-E403 IonicContact ND1-OE1 3.06Å; H361-E403 PolarHBondContact ND1-OE1 2.81Å; H361-E403 IonicContact ND1-OE2 2.81Å; H361-E403 PolarHBondContact ND1-OE2 2.85Å; H361-E403 IonicContact NE2-OE2 3.57Å; H361-C558 WeakPolarHBondContact O-CA 3.28Å; H361-C558 PolarHBondContact O-SG 2.86Å; H361-E559 HydrophobicContact CB-CG 3.63Å; H361-E559 IonicContact CD2-OE1 2.81Å; H361-E559 PolarHBondContact N-O 3.45Å; H361-E559 PolarHBondContact O-N 3.05Å
362	N	96.1	Very high	93.8	Very high	41 Å²	41	38 Å²	38	22%	0.219	19%	0.187	C	C	.	.			trans	46.5	47.2	172.8	-60.5	-43.8	0	0	0	113.8	P364 K402 C556 C558	N362-P364 WeakPolarHBondContact O-CD 3.45Å; N362-P364 VanDerWaalsContact O-N 3.16Å; N362-K402 WeakPolarHBondContact CA-O 3.49Å; N362-K402 PolarHBondContact N-O 3.43Å; N362-K402 WeakPolarHBondContact OD1-CE 3.41Å; N362-C556 HydrophobicContact CB-CB 4.36Å; N362-C556 WeakPolarHBondContact CB-O 3.13Å; N362-C556 PolarHBondContact ND2-O 3.45Å; N362-C556 WeakPolarHBondContact O-CB 3.43Å; N362-C558 WeakPolarHBondContact O-CB 3.24Å; N362-C558 PolarHBondContact O-SG 2.9Å
363	L	96.3	Very high	93.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.201	C	C	.	.			trans	-54.5	125.6	169.7	-168.2	72.6	0	0	0	107.7	L360 H361 Y371 M374 L381 Q400 E401 K402 I404 L435 D437 Y553	L360-L363 HydrophobicContact CD1-CD1 4.3Å; L360-L363 HydrophobicContact CD2-CB 3.68Å; L360-L363 HydrophobicContact CD2-CD1 3.79Å; L360-L363 HydrophobicContact CD2-CG 4.32Å; H361-L363 VanDerWaalsContact C-N 3.29Å; H361-L363 PolarHBondContact O-N 3.45Å; L363-Y371 PolarHBondContact O-OH 2.8Å; L363-M374 HydrophobicContact CD2-CE 4.14Å; L363-L381 HydrophobicContact CD1-CD1 4.14Å; L363-L381 HydrophobicContact CD2-CD1 3.98Å; L363-Q400 HydrophobicContact CD2-CB 3.94Å; L363-Q400 HydrophobicContact CD2-CG 4.16Å; L363-E401 VanDerWaalsContact CB-O 3.27Å; L363-E401 WeakPolarHBondContact CB-O 3.47Å; L363-K402 PolarHBondContact N-O 2.89Å; L363-I404 HydrophobicContact CD2-CD1 3.95Å; L363-L435 HydrophobicContact CD1-CD2 4.22Å; L363-D437 WeakPolarHBondContact CD1-OD2 3.32Å; L363-Y553 HydrophobicContact CD1-CE1 4.14Å
364	P	94.6	Very high	93.5	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.019	20%	0.201	C	C	.	.			trans	-66	156.2	176.1	25.1	-32.9	0	0	0	110	N362 R438 I551 Y553 C556	N362-P364 WeakPolarHBondContact O-CD 3.45Å; N362-P364 VanDerWaalsContact O-N 3.16Å; P364-R438 PolarHBondContact O-NH2 3.44Å; P364-I551 HydrophobicContact CB-CG2 4.5Å; P364-I551 WeakPolarHBondContact CB-O 3.22Å; P364-I551 HydrophobicContact CG-CG2 3.66Å; P364-I551 WeakPolarHBondContact CG-O 3.47Å; P364-Y553 VanDerWaalsContact CD-CD1 3.46Å; P364-Y553 HydrophobicContact CG-CD1 3.53Å; P364-Y553 HydrophobicContact CG-CE1 3.76Å; P364-Y553 HydrophobicContact CG-CG 4.24Å; P364-C556 HydrophobicContact CB-CB 4.37Å
365	V	91.9	Very high	93.2	Very high	46 Å²	46	43.1 Å²	43.1	28%	0.279	21%	0.209	S	C	.	.			trans	-95.6	-21.8	173	73.2	0	0	0	0	112.4	Y368 Y371	V365-Y368 WeakPolarHBondContact O-CB 3.39Å; V365-Y368 PolarHBondContact O-N 3.03Å; V365-Y371 HydrophobicContact CB-CE1 4.15Å; V365-Y371 HydrophobicContact CB-CE2 4.5Å; V365-Y371 HydrophobicContact CG2-CD1 4.23Å; V365-Y371 HydrophobicContact CG2-CE1 4.33Å; V365-Y371 HydrophobicContact CG2-CG 4.29Å
366	A	86.7	Confident	92.8	Very high	36 Å²	36	48.7 Å²	48.7	30%	0.298	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	146.3	-179.7	0	0	0	0	0	111.5	Y368 R438	A366-Y368 VanDerWaalsContact C-N 3.33Å; A366-R438 PolarHBondContact O-NE 3.01Å; A366-R438 PolarHBondContact O-NH2 2.78Å
367	P	86.2	Confident	92.5	Very high	70 Å²	70	51.4 Å²	51.4	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.5	8.7	1.5	35	-37.5	0	0	0	115.3
368	Y	90.3	Very high	92.2	Very high	38 Å²	38	51.5 Å²	51.5	15%	0.149	25%	0.253	C	S	.	.	S	Bend	trans	-84.5	160.7	-178	-54.2	-84.4	0	0	0	112	V365 A366 E373 M374 I377 C378 R438	V365-Y368 WeakPolarHBondContact O-CB 3.39Å; V365-Y368 PolarHBondContact O-N 3.03Å; A366-Y368 VanDerWaalsContact C-N 3.33Å; Y368-E373 HydrophobicContact CD1-CG 4.2Å; Y368-M374 HydrophobicContact CD1-CB 4.48Å; Y368-M374 HydrophobicContact CD2-CB 3.85Å; Y368-M374 HydrophobicContact CD2-CG 3.46Å; Y368-M374 VanDerWaalsContact CD2-CG 3.46Å; Y368-M374 HydrophobicContact CD2-SD 3.72Å; Y368-M374 HydrophobicContact CE2-CG 3.81Å; Y368-M374 HydrophobicContact CE2-SD 4.31Å; Y368-M374 HydrophobicContact CG-CB 3.83Å; Y368-M374 HydrophobicContact CG-CG 3.98Å; Y368-M374 HydrophobicContact CG-SD 4.49Å; Y368-I377 HydrophobicContact CD1-CD1 3.9Å; Y368-I377 HydrophobicContact CE1-CB 4.11Å; Y368-I377 HydrophobicContact CE1-CD1 3.66Å; Y368-I377 HydrophobicContact CE1-CG1 4.49Å; Y368-I377 HydrophobicContact CE1-CG2 4.02Å; Y368-C378 VanDerWaalsContact CZ-SG 3.56Å; Y368-C378 PolarHBondContact OH-SG 3.16Å; Y368-R438 HydrophobicContact CE2-CG 4.47Å
369	R	89.8	Confident	92	Very high	210 Å²	210	51.9 Å²	51.9	79%	0.792	25%	0.253	S	S	*	.	S	Bend	trans	-81.1	-29.4	179.9	-59.1	175.5	174.6	165	0.2	112.7	E373	R369-E373 WeakPolarHBondContact CB-OE2 3.47Å; R369-E373 WeakPolarHBondContact CG-OE2 3.02Å; R369-E373 PolarHBondContact N-OE2 3.12Å
370	S	94.1	Very high	91.8	Very high	49 Å²	49	50.2 Å²	50.2	34%	0.343	25%	0.252	S	S	.	.	S	Bend	trans	-149.4	160.2	179.3	72.7	0	0	0	0	111.3	E372 E373 M374	S370-E372 PolarHBondContact O-N 3.48Å; S370-E372 PolarHBondContact OG-N 3.39Å; S370-E373 PolarHBondContact O-N 2.75Å; S370-E373 PolarHBondContact OG-N 3.19Å; S370-M374 PolarHBondContact O-N 2.9Å; S370-M374 VanDerWaalsContact O-N 3.1Å
371	Y	94.3	Very high	91.7	Very high	44 Å²	44	50.2 Å²	50.2	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-29.6	173.4	-64.8	-74.4	0	0	0	112.1	L363 V365 M374 R375 K402	L363-Y371 PolarHBondContact O-OH 2.8Å; V365-Y371 HydrophobicContact CB-CE1 4.15Å; V365-Y371 HydrophobicContact CB-CE2 4.5Å; V365-Y371 HydrophobicContact CG2-CD1 4.23Å; V365-Y371 HydrophobicContact CG2-CE1 4.33Å; V365-Y371 HydrophobicContact CG2-CG 4.29Å; Y371-M374 HydrophobicContact CD1-CE 3.67Å; Y371-M374 HydrophobicContact CE1-CE 4.24Å; Y371-M374 PolarHBondContact O-N 2.73Å; Y371-R375 WeakPolarHBondContact O-CB 3.28Å; Y371-R375 VanDerWaalsContact O-CG 3.26Å; Y371-R375 WeakPolarHBondContact O-CG 2.95Å; Y371-R375 PolarHBondContact O-N 3.03Å; Y371-K402 HydrophobicContact CE2-CB 3.94Å; Y371-K402 VanDerWaalsContact CZ-N 3.32Å; Y371-K402 VanDerWaalsContact OH-CA 3.28Å; Y371-K402 WeakPolarHBondContact OH-CA 3.17Å; Y371-K402 WeakPolarHBondContact OH-CB 3.36Å
372	E	92.9	Very high	91.6	Very high	97 Å²	97	51 Å²	51	45%	0.453	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-46.5	176.1	-171.2	177.5	-174.8	0	0	111.7	S370 M374 R375 N376	S370-E372 PolarHBondContact O-N 3.48Å; S370-E372 PolarHBondContact OG-N 3.39Å; E372-M374 VanDerWaalsContact C-N 3.3Å; E372-M374 PolarHBondContact O-N 3.48Å; E372-R375 PolarHBondContact O-N 3.19Å; E372-N376 VanDerWaalsContact O-CG 3.22Å; E372-N376 PolarHBondContact O-N 3.33Å; E372-N376 VanDerWaalsContact O-N 3.13Å; E372-N376 PolarHBondContact O-ND2 2.97Å
373	E	92.5	Very high	91.6	Very high	65 Å²	65	49 Å²	49	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-44.9	173.9	-178.9	-179.6	-159.1	0	0	110.9	Y368 R369 S370 R375 N376 I377	Y368-E373 HydrophobicContact CD1-CG 4.2Å; R369-E373 WeakPolarHBondContact CB-OE2 3.47Å; R369-E373 WeakPolarHBondContact CG-OE2 3.02Å; R369-E373 PolarHBondContact N-OE2 3.12Å; S370-E373 PolarHBondContact O-N 2.75Å; S370-E373 PolarHBondContact OG-N 3.19Å; E373-R375 PolarHBondContact O-N 3.18Å; E373-N376 PolarHBondContact O-N 3.37Å; E373-I377 HydrophobicContact CG-CD1 3.82Å; E373-I377 WeakPolarHBondContact O-CG1 3.3Å; E373-I377 PolarHBondContact O-N 3.38Å
374	M	91.2	Very high	91.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-43.5	179.7	-168.7	166.9	84.9	0	0	112.7	L363 Y368 S370 Y371 E372 N376 I377 C378 Q400 R438	L363-M374 HydrophobicContact CD2-CE 4.14Å; Y368-M374 HydrophobicContact CD1-CB 4.48Å; Y368-M374 HydrophobicContact CD2-CB 3.85Å; Y368-M374 HydrophobicContact CD2-CG 3.46Å; Y368-M374 VanDerWaalsContact CD2-CG 3.46Å; Y368-M374 HydrophobicContact CD2-SD 3.72Å; Y368-M374 HydrophobicContact CE2-CG 3.81Å; Y368-M374 HydrophobicContact CE2-SD 4.31Å; Y368-M374 HydrophobicContact CG-CB 3.83Å; Y368-M374 HydrophobicContact CG-CG 3.98Å; Y368-M374 HydrophobicContact CG-SD 4.49Å; S370-M374 PolarHBondContact O-N 2.9Å; S370-M374 VanDerWaalsContact O-N 3.1Å; Y371-M374 HydrophobicContact CD1-CE 3.67Å; Y371-M374 HydrophobicContact CE1-CE 4.24Å; Y371-M374 PolarHBondContact O-N 2.73Å; E372-M374 VanDerWaalsContact C-N 3.3Å; E372-M374 PolarHBondContact O-N 3.48Å; M374-N376 VanDerWaalsContact C-N 3.31Å; M374-N376 PolarHBondContact O-N 3.18Å; M374-I377 PolarHBondContact O-N 3.15Å; M374-C378 WeakPolarHBondContact O-CA 3.29Å; M374-C378 WeakPolarHBondContact O-CB 3.44Å; M374-C378 PolarHBondContact O-N 3.49Å; M374-C378 PolarHBondContact O-SG 3.26Å; M374-Q400 HydrophobicContact CE-CB 3.14Å; M374-Q400 HydrophobicContact CE-CG 3.63Å; M374-R438 PolarHBondContact SD-NE 3.13Å; M374-R438 PolarHBondContact SD-NH1 2.89Å
375	R	90.9	Very high	91.6	Very high	42 Å²	42	49.9 Å²	49.9	16%	0.158	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-28.7	177	-73.4	-175.5	-57.7	-108.1	9.6	114	Y371 E372 E373 I377 V399 Q400 E401	Y371-R375 WeakPolarHBondContact O-CB 3.28Å; Y371-R375 VanDerWaalsContact O-CG 3.26Å; Y371-R375 WeakPolarHBondContact O-CG 2.95Å; Y371-R375 PolarHBondContact O-N 3.03Å; E372-R375 PolarHBondContact O-N 3.19Å; E373-R375 PolarHBondContact O-N 3.18Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-V399 HydrophobicContact CG-CG1 4.34Å; R375-Q400 HydrophobicContact CG-CB 4.46Å; R375-Q400 PolarHBondContact NH1-O 3.45Å; R375-E401 IonicContact CZ-OE1 3.96Å; R375-E401 IonicContact NH1-OE1 3.54Å; R375-E401 PolarHBondContact NH1-OE1 3.37Å; R375-E401 IonicContact NH2-OE1 2.65Å
376	N	88.9	Confident	91.7	Very high	117 Å²	117	49.7 Å²	49.7	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-74.9	-24.5	177.7	-68.9	-23	0	0	0	112	E372 E373 M374	E372-N376 VanDerWaalsContact O-CG 3.22Å; E372-N376 PolarHBondContact O-N 3.33Å; E372-N376 VanDerWaalsContact O-N 3.13Å; E372-N376 PolarHBondContact O-ND2 2.97Å; E373-N376 PolarHBondContact O-N 3.37Å; M374-N376 VanDerWaalsContact C-N 3.31Å; M374-N376 PolarHBondContact O-N 3.18Å
377	I	89.8	Confident	92	Very high	64 Å²	64	48 Å²	48	33%	0.328	23%	0.234	S	C	.	.	H	α-helix	trans	-101.3	-39.3	-176.2	-62.5	169.5	0	0	0	111.5	Y368 E373 M374 R375 H441	Y368-I377 HydrophobicContact CD1-CD1 3.9Å; Y368-I377 HydrophobicContact CE1-CB 4.11Å; Y368-I377 HydrophobicContact CE1-CD1 3.66Å; Y368-I377 HydrophobicContact CE1-CG1 4.49Å; Y368-I377 HydrophobicContact CE1-CG2 4.02Å; E373-I377 HydrophobicContact CG-CD1 3.82Å; E373-I377 WeakPolarHBondContact O-CG1 3.3Å; E373-I377 PolarHBondContact O-N 3.38Å; M374-I377 PolarHBondContact O-N 3.15Å; R375-I377 VanDerWaalsContact C-N 3.29Å; I377-H441 PolarHBondContact O-N 2.78Å; I377-H441 VanDerWaalsContact O-N 3.16Å
378	C	89.8	Confident	91.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-100.6	145.1	-173.2	-57.4	0	0	0	0	112.5	Y368 M374 V439 H441	Y368-C378 VanDerWaalsContact CZ-SG 3.56Å; Y368-C378 PolarHBondContact OH-SG 3.16Å; M374-C378 WeakPolarHBondContact O-CA 3.29Å; M374-C378 WeakPolarHBondContact O-CB 3.44Å; M374-C378 PolarHBondContact O-N 3.49Å; M374-C378 PolarHBondContact O-SG 3.26Å; C378-V439 CarbonylContact C-O 3.51Å; C378-V439 WeakPolarHBondContact CA-O 3.45Å; C378-V439 WeakPolarHBondContact CB-O 3.42Å; C378-H441 PolarHBondContact O-NE2 3.02Å
379	E	89.7	Confident	91.6	Very high	69 Å²	69	50.2 Å²	50.2	32%	0.322	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-51.7	150.3	160	-62.7	-177	170.2	0	0	111.1	Q400 V439 H441	E379-Q400 PolarHBondContact O-NE2 2.5Å; E379-V439 HydrophobicContact CB-CB 4.28Å; E379-V439 HydrophobicContact CG-CB 4.37Å; E379-V439 HydrophobicContact CG-CG1 4.21Å; E379-V439 PolarHBondContact N-O 3.41Å; E379-V439 WeakPolarHBondContact OE2-CG1 3.4Å; E379-H441 VanDerWaalsContact CA-CE1 3.46Å; E379-H441 WeakPolarHBondContact CA-CE1 3.35Å; E379-H441 WeakPolarHBondContact CG-ND1 3.43Å
380	P	90.5	Very high	91.5	Very high	46 Å²	46	43 Å²	43	30%	0.299	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-52.1	152.5	172.4	-28	36	0	0	0	113.5	R382 D397	P380-R382 PolarHBondContact O-N 2.71Å; P380-D397 HydrophobicContact CB-CB 3.69Å; P380-D397 HydrophobicContact CG-CB 4.35Å
381	L	93.6	Very high	91.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-67.6	131.7	178.4	176.7	159.8	0	0	0	110.6	L360 L363 L383 D397 Y398 Q400 I404 M406 L435 Y436 D437	L360-L381 HydrophobicContact CD1-CD1 4.26Å; L363-L381 HydrophobicContact CD1-CD1 4.14Å; L363-L381 HydrophobicContact CD2-CD1 3.98Å; L381-L383 HydrophobicContact CD2-CD2 4.38Å; L381-D397 CarbonylContact O-C 3.59Å; L381-D397 WeakPolarHBondContact O-CA 3.47Å; L381-Y398 WeakPolarHBondContact CB-O 3.33Å; L381-Y398 HydrophobicContact CD2-CD2 4.17Å; L381-Y398 HydrophobicContact CD2-CG 4.47Å; L381-Y398 PolarHBondContact N-O 2.86Å; L381-Y398 PolarHBondContact O-N 3.21Å; L381-Q400 HydrophobicContact CB-CG 3.85Å; L381-Q400 HydrophobicContact CD1-CG 4.48Å; L381-I404 HydrophobicContact CD1-CD1 3.67Å; L381-M406 HydrophobicContact CD2-CE 3.9Å; L381-L435 HydrophobicContact CD1-CD1 3.75Å; L381-L435 HydrophobicContact CD2-CD1 3.79Å; L381-L435 HydrophobicContact CG-CD1 3.65Å; L381-Y436 VanDerWaalsContact CA-O 3.31Å; L381-Y436 WeakPolarHBondContact CA-O 3.45Å; L381-D437 HydrophobicContact CB-CB 4.25Å; L381-D437 HydrophobicContact CD1-CB 3.78Å; L381-D437 HydrophobicContact CG-CB 3.98Å
382	R	93.9	Very high	91.4	Very high	30 Å²	30	42.9 Å²	42.9	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152	173.5	64	-179.1	178	73.1	4.9	111.6	P380 Y436	P380-R382 PolarHBondContact O-N 2.71Å; R382-Y436 HydrophobicContact CG-CG 4.41Å; R382-Y436 VanDerWaalsContact CZ-CG 3.49Å; R382-Y436 PolarHBondContact N-O 2.55Å; R382-Y436 PolarHBondContact O-N 2.74Å
383	L	95.4	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.2	175.2	-55.5	175.4	0	0	0	109	I357 L381 Q394 S395 M406 I433 D434 L435 I560	I357-L383 HydrophobicContact CD1-CD1 3.7Å; I357-L383 HydrophobicContact CG2-CD1 4.38Å; L381-L383 HydrophobicContact CD2-CD2 4.38Å; L383-Q394 WeakPolarHBondContact O-CA 3.41Å; L383-S395 WeakPolarHBondContact CB-OG 3.44Å; L383-S395 PolarHBondContact N-OG 2.9Å; L383-S395 PolarHBondContact O-N 3.3Å; L383-S395 PolarHBondContact O-OG 3.47Å; L383-M406 HydrophobicContact CD1-CE 4.39Å; L383-M406 HydrophobicContact CD1-SD 3.9Å; L383-I433 HydrophobicContact CB-CG2 3.99Å; L383-I433 HydrophobicContact CD1-CG2 4.43Å; L383-I433 HydrophobicContact CD2-CG2 4.12Å; L383-I433 HydrophobicContact CG-CG2 4.42Å; L383-D434 CarbonylContact C-O 3.5Å; L383-D434 WeakPolarHBondContact CA-O 3.49Å; L383-L435 HydrophobicContact CD2-CB 4.38Å; L383-L435 HydrophobicContact CD2-CD1 3.39Å; L383-L435 HydrophobicContact CD2-CG 4.5Å; L383-I560 HydrophobicContact CD1-CD1 4.25Å
384	V	95.1	Very high	91.4	Very high	22 Å²	22	39.6 Å²	39.6	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109	168.8	-179.6	0	0	0	0	107.8	T386 H393 Q394 D434 Y436	V384-T386 HydrophobicContact CG1-CG2 4.38Å; V384-H393 CarbonylContact C-O 3.57Å; V384-H393 WeakPolarHBondContact CA-O 3.46Å; V384-Q394 HydrophobicContact CG2-CG 4.31Å; V384-D434 HydrophobicContact CB-CB 4.48Å; V384-D434 PolarHBondContact N-O 2.93Å; V384-D434 PolarHBondContact O-N 3.12Å; V384-Y436 HydrophobicContact CB-CE2 3.96Å; V384-Y436 HydrophobicContact CG2-CD2 3.97Å; V384-Y436 HydrophobicContact CG2-CE2 3.58Å
385	T	95.9	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.3	175.4	-50.3	0	0	0	0	109.4	L355 W391 S392 H393 Q410 V431 V432 I433	L355-T385 HydrophobicContact CD1-CG2 4.22Å; T385-W391 HydrophobicContact CG2-CH2 4.46Å; T385-W391 HydrophobicContact CG2-CZ3 3.78Å; T385-S392 CarbonylContact O-C 3.48Å; T385-S392 VanDerWaalsContact O-CA 3.23Å; T385-S392 WeakPolarHBondContact O-CA 3.43Å; T385-S392 PolarHBondContact O-OG 3.45Å; T385-S392 VanDerWaalsContact O-OG 3.08Å; T385-H393 PolarHBondContact N-O 3.11Å; T385-H393 PolarHBondContact O-N 3.36Å; T385-Q410 VanDerWaalsContact OG1-CD 3.24Å; T385-Q410 PolarHBondContact OG1-NE2 2.94Å; T385-Q410 PolarHBondContact OG1-OE1 3.29Å; T385-V431 HydrophobicContact CG2-CG1 3.32Å; T385-V432 CarbonylContact C-O 3.44Å; T385-V432 WeakPolarHBondContact CA-O 3.46Å; T385-I433 HydrophobicContact CG2-CG1 3.82Å
386	T	93.9	Very high	91.4	Very high	42 Å²	42	39.4 Å²	39.4	26%	0.258	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139	175.2	57	0	0	0	0	109.2	V384 V432	V384-T386 HydrophobicContact CG1-CG2 4.38Å; T386-V432 PolarHBondContact N-O 3.17Å; T386-V432 PolarHBondContact O-N 3.23Å; T386-V432 PolarHBondContact OG1-O 2.7Å
387	F	92.5	Very high	91.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	98.4	169.8	-173.6	-138	0	0	0	108.1	I353 V390 W391 I412 L425 V426 V431 L505	I353-F387 HydrophobicContact CD1-CE1 4.36Å; F387-V390 HydrophobicContact CD1-CG2 4.2Å; F387-V390 WeakPolarHBondContact O-CG2 2.89Å; F387-V390 PolarHBondContact O-N 3.45Å; F387-W391 HydrophobicContact CB-CE3 4.29Å; F387-W391 PolarHBondContact N-O 2.92Å; F387-W391 PolarHBondContact O-N 2.9Å; F387-I412 HydrophobicContact CB-CD1 4.1Å; F387-I412 HydrophobicContact CD1-CD1 4.17Å; F387-I412 HydrophobicContact CG-CD1 4.38Å; F387-L425 HydrophobicContact CE1-CB 4.15Å; F387-L425 HydrophobicContact CE1-CD1 4.26Å; F387-L425 HydrophobicContact CE2-CB 4.37Å; F387-L425 HydrophobicContact CZ-CB 3.7Å; F387-V426 HydrophobicContact CZ-CG2 4.49Å; F387-V431 HydrophobicContact CB-CG2 4.27Å; F387-V431 HydrophobicContact CD2-CB 4.46Å; F387-V431 HydrophobicContact CD2-CG2 3.53Å; F387-V431 HydrophobicContact CE2-CG2 4.04Å; F387-V431 HydrophobicContact CG-CG2 4Å; F387-L505 HydrophobicContact CE2-CD1 4.11Å; F387-L505 HydrophobicContact CZ-CD1 4.1Å
388	S	86	Confident	91.5	Very high	47 Å²	47	34.2 Å²	34.2	33%	0.329	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-145.7	-169.6	-161	0	0	0	0	112	L429	S388-L429 WeakPolarHBondContact OG-CD1 3.45Å
389	D	83	Confident	91.4	Very high	109 Å²	109	34.9 Å²	34.9	58%	0.583	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.4	171.5	50.6	-26.3	0	0	0	113.4	Y421 K747	D389-Y421 PolarHBondContact OD1-OH 2.99Å; D389-K747 IonicContact OD2-NZ 3.45Å; D389-K747 PolarHBondContact OD2-NZ 2.69Å
390	V	87.5	Confident	91.5	Very high	57 Å²	57	31.8 Å²	31.8	35%	0.345	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-31.1	-173.7	-64.1	0	0	0	0	113.5	F387 I417 Y421 L425	F387-V390 HydrophobicContact CD1-CG2 4.2Å; F387-V390 WeakPolarHBondContact O-CG2 2.89Å; F387-V390 PolarHBondContact O-N 3.45Å; V390-I417 HydrophobicContact CB-CD1 4.39Å; V390-I417 HydrophobicContact CG2-CD1 4.11Å; V390-Y421 HydrophobicContact CG1-CD1 4.47Å; V390-Y421 HydrophobicContact CG1-CE1 3.66Å; V390-L425 HydrophobicContact CG1-CD1 4.07Å; V390-L425 HydrophobicContact CG2-CD1 3.82Å
391	W	93.1	Very high	91.7	Very high	21 Å²	21	32.4 Å²	32.4	8%	0.08	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	142.7	-172.4	-177.3	90.1	0	0	0	112.9	W146 T385 F387 H393 Q410 I412	W146-W391 AromaticContact CZ2-CD1 3.8Å; W146-W391 AromaticContact CZ2-NE1 3.68Å; T385-W391 HydrophobicContact CG2-CH2 4.46Å; T385-W391 HydrophobicContact CG2-CZ3 3.78Å; F387-W391 HydrophobicContact CB-CE3 4.29Å; F387-W391 PolarHBondContact N-O 2.92Å; F387-W391 PolarHBondContact O-N 2.9Å; W391-H393 HydrophobicContact CH2-CB 3.18Å; W391-H393 HydrophobicContact CZ2-CB 3.27Å; W391-H393 HydrophobicContact CZ3-CB 3.91Å; W391-Q410 HydrophobicContact CH2-CB 3.98Å; W391-Q410 HydrophobicContact CZ2-CB 4.46Å; W391-I412 HydrophobicContact CB-CG2 4.22Å; W391-I412 HydrophobicContact CD2-CB 4.48Å; W391-I412 HydrophobicContact CD2-CD1 4.14Å; W391-I412 HydrophobicContact CD2-CG1 3.74Å; W391-I412 HydrophobicContact CD2-CG2 4.3Å; W391-I412 HydrophobicContact CE3-CD1 3.73Å; W391-I412 HydrophobicContact CE3-CG1 3.79Å; W391-I412 HydrophobicContact CG-CG1 4.35Å; W391-I412 HydrophobicContact CG-CG2 4.01Å; W391-I412 HydrophobicContact CH2-CD1 4.34Å; W391-I412 HydrophobicContact CH2-CG1 3.91Å; W391-I412 HydrophobicContact CZ2-CG1 3.88Å; W391-I412 HydrophobicContact CZ3-CD1 3.85Å; W391-I412 HydrophobicContact CZ3-CG1 3.89Å
392	S	93.4	Very high	91.8	Very high	70 Å²	70	37.5 Å²	37.5	49%	0.49	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147	172	-177.4	0	0	0	0	110.9	T385	T385-S392 CarbonylContact O-C 3.48Å; T385-S392 VanDerWaalsContact O-CA 3.23Å; T385-S392 WeakPolarHBondContact O-CA 3.43Å; T385-S392 PolarHBondContact O-OG 3.45Å; T385-S392 VanDerWaalsContact O-OG 3.08Å
393	H	93.5	Very high	91.8	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.2	179.2	176.5	87.3	0	0	0	110.9	Q150 V384 T385 W391 E408 Q410	Q150-H393 PolarHBondContact OE1-ND1 3.46Å; V384-H393 CarbonylContact C-O 3.57Å; V384-H393 WeakPolarHBondContact CA-O 3.46Å; T385-H393 PolarHBondContact N-O 3.11Å; T385-H393 PolarHBondContact O-N 3.36Å; W391-H393 HydrophobicContact CH2-CB 3.18Å; W391-H393 HydrophobicContact CZ2-CB 3.27Å; W391-H393 HydrophobicContact CZ3-CB 3.91Å; H393-E408 IonicContact NE2-OE1 3.18Å; H393-E408 PolarHBondContact NE2-OE1 3.3Å; H393-Q410 PolarHBondContact CD2-NE2 3.45Å
394	Q	92.9	Very high	91.8	Very high	84 Å²	84	38.7 Å²	38.7	39%	0.393	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.8	171.3	-173.4	-174.3	-54.3	0	0	108.6	L383 V384	L383-Q394 WeakPolarHBondContact O-CA 3.41Å; V384-Q394 HydrophobicContact CG2-CG 4.31Å
395	S	93.1	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.2	169	173.2	73.8	0	0	0	0	111.4	L383	L383-S395 WeakPolarHBondContact CB-OG 3.44Å; L383-S395 PolarHBondContact N-OG 2.9Å; L383-S395 PolarHBondContact O-N 3.3Å; L383-S395 PolarHBondContact O-OG 3.47Å
396	R	88.9	Confident	91.4	Very high	39 Å²	39	43.3 Å²	43.3	15%	0.147	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63	171.6	160.4	67	-176	165.4	-152.3	-27.7	112.1	Q285 L317 Y398 D407 E408	Q285-R396 VanDerWaalsContact CD-CZ 3.44Å; L317-R396 HydrophobicContact CB-CB 4.11Å; R396-Y398 HydrophobicContact CG-CD2 4.41Å; R396-Y398 HydrophobicContact CG-CE1 4.17Å; R396-Y398 HydrophobicContact CG-CE2 3.68Å; R396-Y398 VanDerWaalsContact NE-CZ 3.33Å; R396-Y398 PolarHBondContact NE-OH 3.27Å; R396-Y398 PolarHBondContact NH2-OH 3.02Å; R396-Y398 VanDerWaalsContact NH2-OH 3.16Å; R396-Y398 WeakPolarHBondContact O-CD2 3.15Å; R396-Y398 VanDerWaalsContact O-CE2 3.23Å; R396-Y398 WeakPolarHBondContact O-CE2 3.36Å; R396-D407 PolarHBondContact NH2-O 3.32Å; R396-E408 IonicContact CZ-OE2 2.9Å; R396-E408 IonicContact NE-OE2 3.21Å; R396-E408 IonicContact NH2-OE2 3.27Å
397	D	88.5	Confident	91.1	Very high	67 Å²	67	42.9 Å²	42.9	36%	0.358	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-83	138.4	177.4	-66.5	-16.7	0	0	0	111.1	P380 L381	P380-D397 HydrophobicContact CB-CB 3.69Å; P380-D397 HydrophobicContact CG-CB 4.35Å; L381-D397 CarbonylContact O-C 3.59Å; L381-D397 WeakPolarHBondContact O-CA 3.47Å
398	Y	90.9	Very high	91.1	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.02	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-124.6	141.7	-179.9	-65.5	-83.9	0	0	0	110.3	L381 R396 I404 M406 E408	L381-Y398 WeakPolarHBondContact CB-O 3.33Å; L381-Y398 HydrophobicContact CD2-CD2 4.17Å; L381-Y398 HydrophobicContact CD2-CG 4.47Å; L381-Y398 PolarHBondContact N-O 2.86Å; L381-Y398 PolarHBondContact O-N 3.21Å; R396-Y398 HydrophobicContact CG-CD2 4.41Å; R396-Y398 HydrophobicContact CG-CE1 4.17Å; R396-Y398 HydrophobicContact CG-CE2 3.68Å; R396-Y398 VanDerWaalsContact NE-CZ 3.33Å; R396-Y398 PolarHBondContact NE-OH 3.27Å; R396-Y398 PolarHBondContact NH2-OH 3.02Å; R396-Y398 VanDerWaalsContact NH2-OH 3.16Å; R396-Y398 WeakPolarHBondContact O-CD2 3.15Å; R396-Y398 VanDerWaalsContact O-CE2 3.23Å; R396-Y398 WeakPolarHBondContact O-CE2 3.36Å; Y398-I404 HydrophobicContact CD1-CG2 4.16Å; Y398-I404 HydrophobicContact CG-CG2 4.32Å; Y398-M406 HydrophobicContact CD1-CG 3.98Å; Y398-M406 HydrophobicContact CD2-CE 4.25Å; Y398-M406 HydrophobicContact CE1-CB 3.9Å; Y398-M406 HydrophobicContact CE1-CG 3.62Å; Y398-M406 HydrophobicContact CE2-CG 4.35Å; Y398-M406 HydrophobicContact CE2-SD 4.25Å; Y398-M406 HydrophobicContact CG-CE 4.27Å; Y398-M406 HydrophobicContact CG-CG 4.5Å; Y398-E408 WeakPolarHBondContact OH-CB 3.42Å; Y398-E408 PolarHBondContact OH-OE2 2.8Å
399	V	88.6	Confident	91.6	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.091	21%	0.205	C	C	.	.			trans	-76.7	129.8	176	-179.6	0	0	0	0	108.5	N214 T215 R375 E401	N214-V399 WeakPolarHBondContact O-CB 3.47Å; N214-V399 PolarHBondContact O-N 2.92Å; T215-V399 VanDerWaalsContact C-CG2 3.46Å; R375-V399 HydrophobicContact CG-CG1 4.34Å; V399-E401 PolarHBondContact O-N 2.8Å
400	Q	92.4	Very high	92.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	18%	0.177	C	C	.	.			trans	-70	125	179.4	-58.9	95.8	-35.2	0	0	111	L363 M374 R375 E379 L381 D437	L363-Q400 HydrophobicContact CD2-CB 3.94Å; L363-Q400 HydrophobicContact CD2-CG 4.16Å; M374-Q400 HydrophobicContact CE-CB 3.14Å; M374-Q400 HydrophobicContact CE-CG 3.63Å; R375-Q400 HydrophobicContact CG-CB 4.46Å; R375-Q400 PolarHBondContact NH1-O 3.45Å; E379-Q400 PolarHBondContact O-NE2 2.5Å; L381-Q400 HydrophobicContact CB-CG 3.85Å; L381-Q400 HydrophobicContact CD1-CG 4.48Å; Q400-D437 PolarHBondContact NE2-O 3.03Å
401	E	93.8	Very high	92.6	Very high	59 Å²	59	33.6 Å²	33.6	28%	0.276	16%	0.161	S	C	.	.			trans	-149.9	168.2	175.1	-85.6	-58.6	162.1	0	0	108.7	L363 R375 V399 E403 I404	L363-E401 VanDerWaalsContact CB-O 3.27Å; L363-E401 WeakPolarHBondContact CB-O 3.47Å; R375-E401 IonicContact CZ-OE1 3.96Å; R375-E401 IonicContact NH1-OE1 3.54Å; R375-E401 PolarHBondContact NH1-OE1 3.37Å; R375-E401 IonicContact NH2-OE1 2.65Å; V399-E401 PolarHBondContact O-N 2.8Å; E401-E403 PolarHBondContact O-N 2.77Å; E401-I404 HydrophobicContact CB-CG1 4.38Å; E401-I404 WeakPolarHBondContact O-CG1 3.1Å
402	K	95.2	Very high	92.8	Very high	108 Å²	108	32.6 Å²	32.6	47%	0.47	16%	0.157	S	C	.	.	S	Bend	trans	-57.3	-39.9	175.2	-172.8	176.7	175.9	178.5	0	111.9	H361 N362 L363 Y371	H361-K402 CarbonylContact C-O 3.41Å; N362-K402 WeakPolarHBondContact CA-O 3.49Å; N362-K402 PolarHBondContact N-O 3.43Å; N362-K402 WeakPolarHBondContact OD1-CE 3.41Å; L363-K402 PolarHBondContact N-O 2.89Å; Y371-K402 HydrophobicContact CE2-CB 3.94Å; Y371-K402 VanDerWaalsContact CZ-N 3.32Å; Y371-K402 VanDerWaalsContact OH-CA 3.28Å; Y371-K402 WeakPolarHBondContact OH-CA 3.17Å; Y371-K402 WeakPolarHBondContact OH-CB 3.36Å
403	E	95.4	Very high	92.9	Very high	55 Å²	55	29.6 Å²	29.6	26%	0.257	14%	0.135	S	C	.	.	S	Bend	trans	-124.5	110.1	-172.7	-73.2	-63.8	146.4	0	0	108.7	N214 H361 E401	N214-E403 PolarHBondContact ND2-O 2.93Å; H361-E403 IonicContact CE1-OE1 3.74Å; H361-E403 IonicContact CE1-OE2 3.17Å; H361-E403 PolarHBondContact CE1-OE2 2.97Å; H361-E403 IonicContact CG-OE1 2.61Å; H361-E403 IonicContact CG-OE2 3.26Å; H361-E403 IonicContact ND1-OE1 3.06Å; H361-E403 PolarHBondContact ND1-OE1 2.81Å; H361-E403 IonicContact ND1-OE2 2.81Å; H361-E403 PolarHBondContact ND1-OE2 2.85Å; H361-E403 IonicContact NE2-OE2 3.57Å; E401-E403 PolarHBondContact O-N 2.77Å
404	I	94	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	97.9	-173.9	-50.6	177.7	0	0	0	109.7	N214 R359 L360 L363 L381 Y398 E401 M406	N214-I404 HydrophobicContact CB-CG2 4.39Å; N214-I404 WeakPolarHBondContact ND2-CA 3.38Å; R359-I404 CarbonylContact C-O 3.57Å; R359-I404 WeakPolarHBondContact CA-O 2.94Å; L360-I404 HydrophobicContact CB-CB 4.23Å; L360-I404 HydrophobicContact CD2-CD1 4.35Å; L360-I404 PolarHBondContact N-O 2.76Å; L360-I404 PolarHBondContact O-N 2.97Å; L363-I404 HydrophobicContact CD2-CD1 3.95Å; L381-I404 HydrophobicContact CD1-CD1 3.67Å; Y398-I404 HydrophobicContact CD1-CG2 4.16Å; Y398-I404 HydrophobicContact CG-CG2 4.32Å; E401-I404 HydrophobicContact CB-CG1 4.38Å; E401-I404 WeakPolarHBondContact O-CG1 3.1Å; I404-M406 HydrophobicContact CB-CE 4.21Å; I404-M406 HydrophobicContact CG2-CE 3.71Å; I404-M406 HydrophobicContact CG2-CG 4.18Å
405	Y	92.5	Very high	92.8	Very high	116 Å²	116	29.8 Å²	29.8	46%	0.455	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.3	167.5	-61.9	-79.9	0	0	0	111.3	N214 R359	N214-Y405 PolarHBondContact ND2-N 2.99Å; N214-Y405 VanDerWaalsContact ND2-N 3.12Å; R359-Y405 HydrophobicContact CB-CD1 4.2Å
406	M	91.2	Very high	92.6	Very high	2 Å²	2	35 Å²	35	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.4	-179	-58.4	-177.5	179.3	0	0	109	I357 D358 L360 L381 L383 Y398 I404	I357-M406 HydrophobicContact CG2-CB 4.5Å; I357-M406 HydrophobicContact CG2-SD 3.78Å; I357-M406 CarbonylContact O-C 3.14Å; I357-M406 WeakPolarHBondContact O-CB 3.19Å; D358-M406 CarbonylContact C-O 3.52Å; D358-M406 WeakPolarHBondContact CA-O 3.45Å; D358-M406 CarbonylContact O-C 3.56Å; D358-M406 PolarHBondContact O-N 2.84Å; L360-M406 HydrophobicContact CB-CE 3.78Å; L360-M406 HydrophobicContact CD1-CE 4.16Å; L381-M406 HydrophobicContact CD2-CE 3.9Å; L383-M406 HydrophobicContact CD1-CE 4.39Å; L383-M406 HydrophobicContact CD1-SD 3.9Å; Y398-M406 HydrophobicContact CD1-CG 3.98Å; Y398-M406 HydrophobicContact CD2-CE 4.25Å; Y398-M406 HydrophobicContact CE1-CB 3.9Å; Y398-M406 HydrophobicContact CE1-CG 3.62Å; Y398-M406 HydrophobicContact CE2-CG 4.35Å; Y398-M406 HydrophobicContact CE2-SD 4.25Å; Y398-M406 HydrophobicContact CG-CE 4.27Å; Y398-M406 HydrophobicContact CG-CG 4.5Å; I404-M406 HydrophobicContact CB-CE 4.21Å; I404-M406 HydrophobicContact CG2-CE 3.71Å; I404-M406 HydrophobicContact CG2-CG 4.18Å
407	D	87.6	Confident	92.7	Very high	34 Å²	34	34 Å²	34	18%	0.182	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	39.7	168	-163	37.9	0	0	0	109.9	K210 Q285 H288 R396	K210-D407 HydrophobicContact CD-CB 3.9Å; K210-D407 WeakPolarHBondContact CD-OD1 2.97Å; K210-D407 VanDerWaalsContact CE-OD1 3.29Å; K210-D407 WeakPolarHBondContact CE-OD1 3.4Å; K210-D407 IonicContact NZ-OD1 2.74Å; K210-D407 PolarHBondContact NZ-OD1 3.26Å; K210-D407 VanDerWaalsContact NZ-OD1 3.08Å; Q285-D407 PolarHBondContact OE1-O 3.17Å; H288-D407 IonicContact CD2-OD2 3.65Å; H288-D407 IonicContact CE1-OD1 3.69Å; H288-D407 PolarHBondContact CE1-OD1 3.43Å; H288-D407 IonicContact CE1-OD2 2.73Å; H288-D407 IonicContact NE2-OD1 3.87Å; H288-D407 PolarHBondContact NE2-OD1 3.47Å; H288-D407 IonicContact NE2-OD2 2.8Å; H288-D407 PolarHBondContact NE2-OD2 2.84Å; R396-D407 PolarHBondContact NH2-O 3.32Å
408	E	92.9	Very high	92.6	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.1	-173.1	-162.6	62.5	-157.3	0	0	109.8	T356 I357 H393 R396 Y398 Q410	T356-E408 CarbonylContact C-O 3.53Å; T356-E408 VanDerWaalsContact CA-O 3.31Å; T356-E408 WeakPolarHBondContact CA-O 3.39Å; I357-E408 HydrophobicContact CB-CB 4Å; I357-E408 HydrophobicContact CD1-CB 4.43Å; I357-E408 HydrophobicContact CD1-CG 4.42Å; I357-E408 HydrophobicContact CG1-CB 4.37Å; I357-E408 PolarHBondContact N-O 3.14Å; I357-E408 PolarHBondContact O-N 3.06Å; H393-E408 IonicContact NE2-OE1 3.18Å; H393-E408 PolarHBondContact NE2-OE1 3.3Å; R396-E408 IonicContact CZ-OE2 2.9Å; R396-E408 IonicContact NE-OE2 3.21Å; R396-E408 IonicContact NH2-OE2 3.27Å; Y398-E408 WeakPolarHBondContact OH-CB 3.42Å; Y398-E408 PolarHBondContact OH-OE2 2.8Å; E408-Q410 HydrophobicContact CG-CG 3.95Å
409	V	95.2	Very high	92.4	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	107.7	172.7	-176.4	0	0	0	0	108.8	G287 H288 R291 I354 L355 T356 V411	G287-V409 VanDerWaalsContact C-CG1 3.47Å; G287-V409 WeakPolarHBondContact O-CG1 3.25Å; H288-V409 WeakPolarHBondContact CE1-CG2 3.41Å; H288-V409 WeakPolarHBondContact ND1-CG2 3.49Å; R291-V409 HydrophobicContact CG-CG1 4.25Å; I354-V409 HydrophobicContact CG2-CG1 3.54Å; L355-V409 WeakPolarHBondContact O-CA 3.2Å; T356-V409 HydrophobicContact CG2-CG2 4.08Å; V409-V411 HydrophobicContact CG1-CG2 4.33Å
410	Q	96.4	Very high	92.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.9	178.7	-49.4	-179.2	-18	0	0	109.1	I354 L355 T385 W391 H393 E408	I354-Q410 CarbonylContact C-O 3.52Å; I354-Q410 WeakPolarHBondContact CA-O 3.38Å; L355-Q410 HydrophobicContact CB-CB 4.28Å; L355-Q410 PolarHBondContact N-O 3.4Å; L355-Q410 PolarHBondContact O-N 2.88Å; T385-Q410 VanDerWaalsContact OG1-CD 3.24Å; T385-Q410 PolarHBondContact OG1-NE2 2.94Å; T385-Q410 PolarHBondContact OG1-OE1 3.29Å; W391-Q410 HydrophobicContact CH2-CB 3.98Å; W391-Q410 HydrophobicContact CZ2-CB 4.46Å; H393-Q410 PolarHBondContact CD2-NE2 3.45Å; E408-Q410 HydrophobicContact CG-CG 3.95Å
411	V	96.5	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.7	-175.7	-176.2	0	0	0	0	109.1	W146 Q150 F290 P352 I354 V409 L413	W146-V411 PolarHBondContact NE1-O 3.11Å; Q150-V411 PolarHBondContact NE2-O 3.46Å; Q150-V411 VanDerWaalsContact NE2-O 3.15Å; F290-V411 HydrophobicContact CB-CG1 3.97Å; F290-V411 HydrophobicContact CB-CG2 3.79Å; F290-V411 HydrophobicContact CD1-CG1 3.86Å; F290-V411 HydrophobicContact CD2-CG1 4.38Å; F290-V411 HydrophobicContact CD2-CG2 3.98Å; F290-V411 HydrophobicContact CE1-CG1 4.5Å; F290-V411 HydrophobicContact CG-CB 4.44Å; F290-V411 HydrophobicContact CG-CG1 3.8Å; F290-V411 HydrophobicContact CG-CG2 3.95Å; P352-V411 HydrophobicContact CB-CG1 4.34Å; I354-V411 HydrophobicContact CG2-CG2 4.46Å; V409-V411 HydrophobicContact CG1-CG2 4.33Å; V411-L413 HydrophobicContact CG1-CD2 3.89Å
412	I	95.9	Very high	91.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.9	172.6	-46.2	178.2	0	0	0	106.3	P352 I353 F387 W391 T414	P352-I412 CarbonylContact C-O 3.58Å; P352-I412 WeakPolarHBondContact CA-O 3.08Å; I353-I412 HydrophobicContact CB-CB 4.22Å; I353-I412 PolarHBondContact N-O 3.26Å; I353-I412 PolarHBondContact O-N 3.43Å; F387-I412 HydrophobicContact CB-CD1 4.1Å; F387-I412 HydrophobicContact CD1-CD1 4.17Å; F387-I412 HydrophobicContact CG-CD1 4.38Å; W391-I412 HydrophobicContact CB-CG2 4.22Å; W391-I412 HydrophobicContact CD2-CB 4.48Å; W391-I412 HydrophobicContact CD2-CD1 4.14Å; W391-I412 HydrophobicContact CD2-CG1 3.74Å; W391-I412 HydrophobicContact CD2-CG2 4.3Å; W391-I412 HydrophobicContact CE3-CD1 3.73Å; W391-I412 HydrophobicContact CE3-CG1 3.79Å; W391-I412 HydrophobicContact CG-CG1 4.35Å; W391-I412 HydrophobicContact CG-CG2 4.01Å; W391-I412 HydrophobicContact CH2-CD1 4.34Å; W391-I412 HydrophobicContact CH2-CG1 3.91Å; W391-I412 HydrophobicContact CZ2-CG1 3.88Å; W391-I412 HydrophobicContact CZ3-CD1 3.85Å; W391-I412 HydrophobicContact CZ3-CG1 3.89Å; I412-T414 HydrophobicContact CG2-CG2 4.35Å
413	L	95.3	Very high	91.3	Very high	6 Å²	6	31 Å²	31	3%	0.031	16%	0.158	C	C	.	.			trans	-81.8	138.6	168.3	-54.6	-177.3	0	0	0	107.9	W146 F290 F350 P352 V411 Y415	W146-L413 HydrophobicContact CB-CD1 3.73Å; W146-L413 HydrophobicContact CB-CG 4.39Å; W146-L413 HydrophobicContact CD2-CD1 3.89Å; W146-L413 HydrophobicContact CD2-CG 4.11Å; W146-L413 HydrophobicContact CE3-CD1 4.45Å; W146-L413 HydrophobicContact CG-CD1 3.55Å; W146-L413 HydrophobicContact CG-CG 3.79Å; F290-L413 HydrophobicContact CD1-CD2 4.18Å; F290-L413 HydrophobicContact CE1-CD2 4.13Å; F350-L413 HydrophobicContact CB-CD2 4.41Å; F350-L413 HydrophobicContact CD1-CD1 3.96Å; F350-L413 HydrophobicContact CE1-CD1 4.36Å; P352-L413 HydrophobicContact CB-CD2 3.95Å; V411-L413 HydrophobicContact CG1-CD2 3.89Å; L413-Y415 HydrophobicContact CB-CD1 3.69Å; L413-Y415 HydrophobicContact CB-CE1 3.88Å; L413-Y415 HydrophobicContact CD1-CD1 4.44Å; L413-Y415 HydrophobicContact CD1-CE1 4.09Å
414	T	94	Very high	90.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.146	C	C	.	.			trans	-116.9	9.7	-174.9	69.6	0	0	0	0	113.5	F350 Q351 I353 I412 D416 I417 L422 I568	F350-T414 PolarHBondContact O-N 2.82Å; Q351-T414 WeakPolarHBondContact CB-OG1 3.04Å; Q351-T414 PolarHBondContact O-OG1 2.55Å; I353-T414 HydrophobicContact CD1-CG2 3.98Å; I353-T414 HydrophobicContact CG1-CG2 4.03Å; I412-T414 HydrophobicContact CG2-CG2 4.35Å; T414-D416 VanDerWaalsContact C-N 3.29Å; T414-D416 PolarHBondContact O-N 3.22Å; T414-I417 HydrophobicContact CG2-CD1 4.23Å; T414-I417 WeakPolarHBondContact O-CB 3.05Å; T414-I417 PolarHBondContact O-N 3.23Å; T414-I417 VanDerWaalsContact O-N 3.17Å; T414-L422 HydrophobicContact CG2-CD1 3.9Å; T414-I568 HydrophobicContact CG2-CD1 4.36Å
415	Y	90.9	Very high	90.6	Very high	96 Å²	96	28.5 Å²	28.5	38%	0.376	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.5	-175.9	73.2	-76.3	0	0	0	114.6	I143 K349 F350 L413	I143-Y415 HydrophobicContact CD1-CE2 4.4Å; I143-Y415 WeakPolarHBondContact CD1-OH 3.46Å; K349-Y415 WeakPolarHBondContact O-CB 3.07Å; F350-Y415 AromaticContact CD1-CD1 3.56Å; F350-Y415 HydrophobicContact CD1-CD1 3.56Å; F350-Y415 HydrophobicContact CD1-CD2 4.41Å; F350-Y415 HydrophobicContact CD1-CE1 4.01Å; F350-Y415 AromaticContact CD1-CG 3.78Å; F350-Y415 HydrophobicContact CD1-CG 3.78Å; F350-Y415 AromaticContact CE1-CD1 3.93Å; F350-Y415 HydrophobicContact CE1-CD1 3.93Å; F350-Y415 HydrophobicContact CE1-CD2 4.23Å; F350-Y415 AromaticContact CE1-CE1 3.99Å; F350-Y415 HydrophobicContact CE1-CE1 3.99Å; F350-Y415 HydrophobicContact CE1-CE2 4.3Å; F350-Y415 HydrophobicContact CE1-CG 4.05Å; L413-Y415 HydrophobicContact CB-CD1 3.69Å; L413-Y415 HydrophobicContact CB-CE1 3.88Å; L413-Y415 HydrophobicContact CD1-CD1 4.44Å; L413-Y415 HydrophobicContact CD1-CE1 4.09Å
416	D	89.7	Confident	90.4	Very high	110 Å²	110	23 Å²	23	59%	0.588	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.1	178.3	64.4	-23.1	0	0	0	112.4	T414	T414-D416 VanDerWaalsContact C-N 3.29Å; T414-D416 PolarHBondContact O-N 3.22Å
417	I	89.9	Confident	90	Very high	18 Å²	18	24 Å²	24	9%	0.092	13%	0.129	C	C	.	.	S	Bend	trans	-90.1	122.2	179	-52.4	179.9	0	0	0	109	V390 T414 G419 Y421 L422 L425	V390-I417 HydrophobicContact CB-CD1 4.39Å; V390-I417 HydrophobicContact CG2-CD1 4.11Å; T414-I417 HydrophobicContact CG2-CD1 4.23Å; T414-I417 WeakPolarHBondContact O-CB 3.05Å; T414-I417 PolarHBondContact O-N 3.23Å; T414-I417 VanDerWaalsContact O-N 3.17Å; I417-G419 PolarHBondContact O-N 3.42Å; I417-Y421 HydrophobicContact CG2-CD1 3.94Å; I417-L422 HydrophobicContact CB-CB 4.38Å; I417-L422 HydrophobicContact CD1-CD1 4.36Å; I417-L422 HydrophobicContact CG2-CB 3.82Å; I417-L422 HydrophobicContact CG2-CD1 4.46Å; I417-L425 HydrophobicContact CD1-CD1 4.31Å; I417-L425 HydrophobicContact CG2-CD1 4.09Å
418	P	87.9	Confident	89.6	Confident	74 Å²	74	22.5 Å²	22.5	48%	0.481	12%	0.121	S	C	.	.			trans	-54.6	134.5	176.2	-26.5	34.6	0	0	0	111.8	L420 Y421 L422	P418-L420 VanDerWaalsContact C-N 3.29Å; P418-L420 PolarHBondContact O-N 3.1Å; P418-L420 VanDerWaalsContact O-N 3.13Å; P418-Y421 CarbonylContact O-C 3.59Å; P418-Y421 WeakPolarHBondContact O-CA 3.34Å; P418-Y421 WeakPolarHBondContact O-CB 3.35Å; P418-Y421 PolarHBondContact O-N 3.38Å; P418-L422 PolarHBondContact O-N 3.13Å
419	G	86.2	Confident	89.2	Confident	33 Å²	33	22.9 Å²	22.9	34%	0.34	12%	0.123	S	C	.	.	H	α-helix	trans	-55.9	-37.9	-169.1	0	0	0	0	0	114.9	I417 R423	I417-G419 PolarHBondContact O-N 3.42Å; G419-R423 WeakPolarHBondContact O-CB 3.3Å; G419-R423 PolarHBondContact O-N 3.34Å
420	L	83.6	Confident	88.9	Confident	34 Å²	34	23 Å²	23	18%	0.178	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-39.1	175	-71.9	169.8	0	0	0	112.7	P418 R423 E424 I576 A583 T585 T746	P418-L420 VanDerWaalsContact C-N 3.29Å; P418-L420 PolarHBondContact O-N 3.1Å; P418-L420 VanDerWaalsContact O-N 3.13Å; L420-R423 PolarHBondContact O-N 3.03Å; L420-E424 PolarHBondContact O-N 2.63Å; L420-I576 HydrophobicContact CD2-CB 4.32Å; L420-I576 HydrophobicContact CD2-CG2 3.56Å; L420-I576 HydrophobicContact CG-CG2 4.03Å; L420-A583 HydrophobicContact CD1-CB 3.48Å; L420-A583 VanDerWaalsContact CD1-CB 3.48Å; L420-T585 HydrophobicContact CD1-CG2 3.73Å; L420-T585 HydrophobicContact CD2-CG2 3.85Å; L420-T585 HydrophobicContact CG-CG2 4.3Å; L420-T746 HydrophobicContact CB-CG2 4.44Å
421	Y	86.9	Confident	88.8	Confident	31 Å²	31	22.9 Å²	22.9	12%	0.122	12%	0.124	C	C	.	.	H	α-helix	trans	-70.3	-42.1	176.6	-172.1	-138.2	0	0	0	110.9	D389 V390 I417 P418 R423 E424 L425 T746	D389-Y421 PolarHBondContact OD1-OH 2.99Å; V390-Y421 HydrophobicContact CG1-CD1 4.47Å; V390-Y421 HydrophobicContact CG1-CE1 3.66Å; I417-Y421 HydrophobicContact CG2-CD1 3.94Å; P418-Y421 CarbonylContact O-C 3.59Å; P418-Y421 WeakPolarHBondContact O-CA 3.34Å; P418-Y421 WeakPolarHBondContact O-CB 3.35Å; P418-Y421 PolarHBondContact O-N 3.38Å; Y421-R423 VanDerWaalsContact C-N 3.29Å; Y421-R423 PolarHBondContact O-N 3.33Å; Y421-E424 HydrophobicContact CD2-CB 4.43Å; Y421-E424 WeakPolarHBondContact O-CB 3.2Å; Y421-E424 PolarHBondContact O-N 3.17Å; Y421-E424 VanDerWaalsContact O-N 3.09Å; Y421-L425 HydrophobicContact CD1-CD1 4.17Å; Y421-L425 HydrophobicContact CD1-CG 4.39Å; Y421-L425 HydrophobicContact CD2-CD2 4.43Å; Y421-L425 HydrophobicContact CD2-CG 4.24Å; Y421-L425 HydrophobicContact CE1-CD1 4Å; Y421-L425 HydrophobicContact CE1-CD2 4.16Å; Y421-L425 HydrophobicContact CE1-CG 4.2Å; Y421-L425 HydrophobicContact CE2-CD2 3.74Å; Y421-L425 HydrophobicContact CE2-CG 4.02Å; Y421-L425 HydrophobicContact CG-CG 4.42Å; Y421-L425 VanDerWaalsContact O-CG 3.31Å; Y421-L425 WeakPolarHBondContact O-CG 3.16Å; Y421-L425 PolarHBondContact O-N 3.37Å; Y421-T746 HydrophobicContact CD2-CG2 3.97Å; Y421-T746 WeakPolarHBondContact CD2-OG1 3.42Å; Y421-T746 HydrophobicContact CG-CG2 4.38Å
422	L	89.5	Confident	88.6	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-55.2	-47.3	172.8	-178.9	58.5	0	0	0	110.6	T414 I417 P418 E424 L425 V426 I568 L573	T414-L422 HydrophobicContact CG2-CD1 3.9Å; I417-L422 HydrophobicContact CB-CB 4.38Å; I417-L422 HydrophobicContact CD1-CD1 4.36Å; I417-L422 HydrophobicContact CG2-CB 3.82Å; I417-L422 HydrophobicContact CG2-CD1 4.46Å; P418-L422 PolarHBondContact O-N 3.13Å; L422-E424 PolarHBondContact O-N 3.34Å; L422-L425 WeakPolarHBondContact O-CB 3.4Å; L422-L425 PolarHBondContact O-N 2.88Å; L422-V426 HydrophobicContact CD1-CG2 3.79Å; L422-V426 HydrophobicContact CG-CG2 4.19Å; L422-V426 WeakPolarHBondContact O-CG2 3.38Å; L422-V426 PolarHBondContact O-N 3.28Å; L422-I568 HydrophobicContact CD1-CD1 4.25Å; L422-I568 HydrophobicContact CD2-CD1 4.05Å; L422-I568 HydrophobicContact CD2-CG1 4.38Å; L422-I568 HydrophobicContact CG-CD1 4.43Å; L422-L573 HydrophobicContact CB-CD1 4.41Å; L422-L573 HydrophobicContact CD2-CD1 4.17Å; L422-L573 HydrophobicContact CG-CD1 4.18Å
423	R	86.4	Confident	88.6	Confident	19 Å²	19	23.8 Å²	23.8	7%	0.072	13%	0.129	C	C	.	.	H	α-helix	trans	-55.9	-47	174.8	179.3	-177	168.9	174.7	-5.3	112	G419 L420 Y421 Q427 L573 I576 K742	G419-R423 WeakPolarHBondContact O-CB 3.3Å; G419-R423 PolarHBondContact O-N 3.34Å; L420-R423 PolarHBondContact O-N 3.03Å; Y421-R423 VanDerWaalsContact C-N 3.29Å; Y421-R423 PolarHBondContact O-N 3.33Å; R423-Q427 VanDerWaalsContact O-CB 3.29Å; R423-Q427 WeakPolarHBondContact O-CB 3.31Å; R423-Q427 VanDerWaalsContact O-CG 3.24Å; R423-Q427 WeakPolarHBondContact O-CG 3.21Å; R423-Q427 PolarHBondContact O-N 2.8Å; R423-Q427 VanDerWaalsContact O-N 3.15Å; R423-L573 HydrophobicContact CB-CD1 4.05Å; R423-L573 HydrophobicContact CB-CD2 4.48Å; R423-L573 HydrophobicContact CB-CG 4.02Å; R423-L573 WeakPolarHBondContact CD-O 3.41Å; R423-L573 HydrophobicContact CG-CG 4.42Å; R423-I576 PolarHBondContact NH1-O 3.42Å; R423-K742 PolarHBondContact NH2-O 3.4Å
424	E	86	Confident	88.6	Confident	2 Å²	2	24 Å²	24	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-50.1	175	177.8	-176.7	179.1	0	0	111.1	L420 Y421 L422 V426 Q427 T428 F745 T746 H814	L420-E424 PolarHBondContact O-N 2.63Å; Y421-E424 HydrophobicContact CD2-CB 4.43Å; Y421-E424 WeakPolarHBondContact O-CB 3.2Å; Y421-E424 PolarHBondContact O-N 3.17Å; Y421-E424 VanDerWaalsContact O-N 3.09Å; L422-E424 PolarHBondContact O-N 3.34Å; E424-V426 PolarHBondContact O-N 2.99Å; E424-Q427 PolarHBondContact O-N 3.35Å; E424-T428 WeakPolarHBondContact CG-OG1 3.5Å; E424-T428 WeakPolarHBondContact O-CB 3.43Å; E424-T428 PolarHBondContact O-N 3.46Å; E424-T428 PolarHBondContact O-OG1 3.42Å; E424-F745 HydrophobicContact CG-CD1 4.16Å; E424-F745 WeakPolarHBondContact OE1-CD1 3.46Å; E424-T746 WeakPolarHBondContact OE2-CB 3.19Å; E424-T746 WeakPolarHBondContact OE2-CG2 3.17Å; E424-T746 PolarHBondContact OE2-N 3.29Å; E424-T746 PolarHBondContact OE2-OG1 3Å; E424-H814 IonicContact OE1-CE1 3.94Å; E424-H814 PolarHBondContact OE1-CE1 3.28Å; E424-H814 VanDerWaalsContact OE1-CE1 3.27Å; E424-H814 IonicContact OE1-ND1 3.77Å; E424-H814 PolarHBondContact OE1-ND1 3.08Å
425	L	87.9	Confident	88.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-55.1	-177.5	-70.4	-179.1	0	0	0	110.7	F387 V390 I417 Y421 L422 Q427 T428 L429	F387-L425 HydrophobicContact CE1-CB 4.15Å; F387-L425 HydrophobicContact CE1-CD1 4.26Å; F387-L425 HydrophobicContact CE2-CB 4.37Å; F387-L425 HydrophobicContact CZ-CB 3.7Å; V390-L425 HydrophobicContact CG1-CD1 4.07Å; V390-L425 HydrophobicContact CG2-CD1 3.82Å; I417-L425 HydrophobicContact CD1-CD1 4.31Å; I417-L425 HydrophobicContact CG2-CD1 4.09Å; Y421-L425 HydrophobicContact CD1-CD1 4.17Å; Y421-L425 HydrophobicContact CD1-CG 4.39Å; Y421-L425 HydrophobicContact CD2-CD2 4.43Å; Y421-L425 HydrophobicContact CD2-CG 4.24Å; Y421-L425 HydrophobicContact CE1-CD1 4Å; Y421-L425 HydrophobicContact CE1-CD2 4.16Å; Y421-L425 HydrophobicContact CE1-CG 4.2Å; Y421-L425 HydrophobicContact CE2-CD2 3.74Å; Y421-L425 HydrophobicContact CE2-CG 4.02Å; Y421-L425 HydrophobicContact CG-CG 4.42Å; Y421-L425 VanDerWaalsContact O-CG 3.31Å; Y421-L425 WeakPolarHBondContact O-CG 3.16Å; Y421-L425 PolarHBondContact O-N 3.37Å; L422-L425 WeakPolarHBondContact O-CB 3.4Å; L422-L425 PolarHBondContact O-N 2.88Å; L425-Q427 VanDerWaalsContact C-N 3.31Å; L425-Q427 PolarHBondContact O-N 3.29Å; L425-T428 PolarHBondContact O-N 3.19Å; L425-L429 HydrophobicContact CD2-CD1 3.65Å; L425-L429 PolarHBondContact O-N 2.94Å; L425-L429 VanDerWaalsContact O-O 3.06Å
426	V	88.8	Confident	88.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.7	-29.1	-173.5	-150.9	0	0	0	0	112.1	F387 L422 E424 L505 I509 M566	F387-V426 HydrophobicContact CZ-CG2 4.49Å; L422-V426 HydrophobicContact CD1-CG2 3.79Å; L422-V426 HydrophobicContact CG-CG2 4.19Å; L422-V426 WeakPolarHBondContact O-CG2 3.38Å; L422-V426 PolarHBondContact O-N 3.28Å; E424-V426 PolarHBondContact O-N 2.99Å; V426-L505 HydrophobicContact CG1-CB 3.55Å; V426-L505 HydrophobicContact CG1-CD1 3.65Å; V426-L505 HydrophobicContact CG1-CG 4.26Å; V426-I509 HydrophobicContact CB-CD1 3.6Å; V426-I509 HydrophobicContact CG1-CD1 3.56Å; V426-I509 HydrophobicContact CG1-CG1 4.07Å; V426-I509 WeakPolarHBondContact O-CD1 3.37Å; V426-M566 HydrophobicContact CB-CE 4.15Å; V426-M566 HydrophobicContact CG1-CE 3.47Å; V426-M566 VanDerWaalsContact CG1-CE 3.47Å; V426-M566 HydrophobicContact CG1-SD 4.14Å; V426-M566 HydrophobicContact CG2-CE 3.93Å
427	Q	83.8	Confident	88.8	Confident	25 Å²	25	15.3 Å²	15.3	12%	0.117	9%	0.088	C	C	.	.	H	α-helix	trans	-82.6	-27.6	179.2	-71.2	-177.9	-24.8	0	0	113.9	R423 E424 L425 I509 L574 K742	R423-Q427 VanDerWaalsContact O-CB 3.29Å; R423-Q427 WeakPolarHBondContact O-CB 3.31Å; R423-Q427 VanDerWaalsContact O-CG 3.24Å; R423-Q427 WeakPolarHBondContact O-CG 3.21Å; R423-Q427 PolarHBondContact O-N 2.8Å; R423-Q427 VanDerWaalsContact O-N 3.15Å; E424-Q427 PolarHBondContact O-N 3.35Å; L425-Q427 VanDerWaalsContact C-N 3.31Å; L425-Q427 PolarHBondContact O-N 3.29Å; Q427-I509 HydrophobicContact CG-CD1 3.82Å; Q427-L574 VanDerWaalsContact NE2-CD2 3.34Å; Q427-K742 PolarHBondContact OE1-O 3.25Å
428	T	78.1	Confident	88.8	Confident	2 Å²	2	15.5 Å²	15.5	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-131.4	-2.2	-164.5	73.8	0	0	0	0	115.3	E424 L425 I743 F745 N812	E424-T428 WeakPolarHBondContact CG-OG1 3.5Å; E424-T428 WeakPolarHBondContact O-CB 3.43Å; E424-T428 PolarHBondContact O-N 3.46Å; E424-T428 PolarHBondContact O-OG1 3.42Å; L425-T428 PolarHBondContact O-N 3.19Å; T428-I743 HydrophobicContact CG2-CG2 3.42Å; T428-I743 VanDerWaalsContact CG2-CG2 3.42Å; T428-F745 HydrophobicContact CG2-CE1 4.08Å; T428-N812 VanDerWaalsContact C-CG 3.42Å; T428-N812 WeakPolarHBondContact O-CB 3.48Å; T428-N812 PolarHBondContact O-ND2 2.88Å; T428-N812 PolarHBondContact O-OD1 3.49Å
429	L	84.4	Confident	88.8	Confident	16 Å²	16	13 Å²	13	8%	0.084	7%	0.071	C	C	.	.			trans	-131.7	131.2	176.4	-67.5	174.7	0	0	0	110.2	S388 L425 N812 H814 Q815	S388-L429 WeakPolarHBondContact OG-CD1 3.45Å; L425-L429 HydrophobicContact CD2-CD1 3.65Å; L425-L429 PolarHBondContact O-N 2.94Å; L425-L429 VanDerWaalsContact O-O 3.06Å; L429-N812 PolarHBondContact N-ND2 2.93Å; L429-H814 HydrophobicContact CD2-CB 4.41Å; L429-Q815 HydrophobicContact CD2-CG 4.4Å
430	P	89.7	Confident	88.7	Confident	9 Å²	9	13.8 Å²	13.8	6%	0.058	7%	0.071	C	C	.	.			trans	-78.6	157.7	175.3	34.5	-32.4	0	0	0	110.4	V432 V502 L503	P430-V432 HydrophobicContact CG-CG2 4.19Å; P430-V502 HydrophobicContact CB-CG1 3.44Å; P430-V502 VanDerWaalsContact CB-CG1 3.44Å; P430-V502 HydrophobicContact CG-CG1 3.6Å; P430-L503 CarbonylContact C-O 3.56Å; P430-L503 VanDerWaalsContact CA-O 3.29Å; P430-L503 WeakPolarHBondContact CA-O 3.37Å; P430-L503 WeakPolarHBondContact CB-O 3.31Å
431	V	93.8	Very high	88.4	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.6	159.4	177.3	0	0	0	0	107.5	L355 T385 F387 L503 L505	L355-V431 HydrophobicContact CD1-CG1 3.84Å; T385-V431 HydrophobicContact CG2-CG1 3.32Å; F387-V431 HydrophobicContact CB-CG2 4.27Å; F387-V431 HydrophobicContact CD2-CB 4.46Å; F387-V431 HydrophobicContact CD2-CG2 3.53Å; F387-V431 HydrophobicContact CE2-CG2 4.04Å; F387-V431 HydrophobicContact CG-CG2 4Å; V431-L503 HydrophobicContact CB-CB 4.19Å; V431-L503 HydrophobicContact CB-CD2 4.34Å; V431-L503 HydrophobicContact CB-CG 4.46Å; V431-L503 PolarHBondContact N-O 3.46Å; V431-L503 PolarHBondContact O-N 3.35Å; V431-L505 HydrophobicContact CG2-CD1 3.81Å; V431-L505 HydrophobicContact CG2-CD2 4.47Å; V431-L505 HydrophobicContact CG2-CG 4.17Å
432	V	93.2	Very high	87.1	Confident	19 Å²	19	20.7 Å²	20.7	12%	0.115	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.6	-179.6	-180	0	0	0	0	108.8	T385 T386 P430 R500	T385-V432 CarbonylContact C-O 3.44Å; T385-V432 WeakPolarHBondContact CA-O 3.46Å; T386-V432 PolarHBondContact N-O 3.17Å; T386-V432 PolarHBondContact O-N 3.23Å; T386-V432 PolarHBondContact OG1-O 2.7Å; P430-V432 HydrophobicContact CG-CG2 4.19Å; V432-R500 HydrophobicContact CG1-CG 3.93Å
433	I	95.7	Very high	85.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.2	174.9	-52.3	168.4	0	0	0	107.7	I357 L383 T385 R500 I501 I562	I357-I433 HydrophobicContact CD1-CD1 4.43Å; L383-I433 HydrophobicContact CB-CG2 3.99Å; L383-I433 HydrophobicContact CD1-CG2 4.43Å; L383-I433 HydrophobicContact CD2-CG2 4.12Å; L383-I433 HydrophobicContact CG-CG2 4.42Å; T385-I433 HydrophobicContact CG2-CG1 3.82Å; I433-R500 WeakPolarHBondContact O-CA 3.37Å; I433-I501 HydrophobicContact CB-CB 4.19Å; I433-I501 HydrophobicContact CB-CD1 4.02Å; I433-I501 HydrophobicContact CG2-CD1 4.01Å; I433-I501 PolarHBondContact N-O 3.34Å; I433-I501 PolarHBondContact O-N 2.64Å; I433-I562 HydrophobicContact CD1-CD1 3.47Å; I433-I562 VanDerWaalsContact CD1-CD1 3.47Å
434	D	94.3	Very high	83	Confident	10 Å²	10	27 Å²	27	5%	0.053	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.2	177.1	-82.3	-15.1	0	0	0	110.2	L383 V384 Y436 P497 R500	L383-D434 CarbonylContact C-O 3.5Å; L383-D434 WeakPolarHBondContact CA-O 3.49Å; V384-D434 HydrophobicContact CB-CB 4.48Å; V384-D434 PolarHBondContact N-O 2.93Å; V384-D434 PolarHBondContact O-N 3.12Å; D434-Y436 HydrophobicContact CB-CE2 3.91Å; D434-P497 HydrophobicContact CB-CB 3.73Å; D434-P497 HydrophobicContact CB-CG 3.77Å; D434-P497 WeakPolarHBondContact OD2-CG 3.36Å; D434-R500 IonicContact OD1-CZ 2.65Å; D434-R500 VanDerWaalsContact OD1-CZ 3.26Å; D434-R500 IonicContact OD1-NE 3.35Å; D434-R500 PolarHBondContact OD1-NE 3.4Å; D434-R500 IonicContact OD1-NH2 3.7Å; D434-R500 PolarHBondContact OD1-NH2 3.5Å; D434-R500 IonicContact OD2-CZ 3.4Å; D434-R500 IonicContact OD2-NH2 2.62Å; D434-R500 PolarHBondContact OD2-NH2 3.29Å
435	L	94.5	Very high	80.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.1	179.2	-178.9	69.5	0	0	0	110	L360 L363 L381 L383 D437 P497 T498 G499 I522 Y553	L360-L435 HydrophobicContact CD1-CD1 4.14Å; L360-L435 HydrophobicContact CD1-CD2 4.42Å; L363-L435 HydrophobicContact CD1-CD2 4.22Å; L381-L435 HydrophobicContact CD1-CD1 3.75Å; L381-L435 HydrophobicContact CD2-CD1 3.79Å; L381-L435 HydrophobicContact CG-CD1 3.65Å; L383-L435 HydrophobicContact CD2-CB 4.38Å; L383-L435 HydrophobicContact CD2-CD1 3.39Å; L383-L435 HydrophobicContact CD2-CG 4.5Å; L435-D437 HydrophobicContact CD1-CB 4.45Å; L435-D437 HydrophobicContact CD2-CB 4.4Å; L435-D437 HydrophobicContact CG-CB 4.19Å; L435-P497 WeakPolarHBondContact O-CA 3.31Å; L435-P497 WeakPolarHBondContact O-CB 3.41Å; L435-T498 PolarHBondContact O-N 3.48Å; L435-T498 PolarHBondContact O-OG1 3.3Å; L435-G499 PolarHBondContact N-O 2.89Å; L435-G499 PolarHBondContact O-N 3.05Å; L435-I522 HydrophobicContact CD2-CD1 4.39Å; L435-I522 HydrophobicContact CD2-CG2 3.98Å; L435-Y553 HydrophobicContact CD2-CE1 3.85Å
436	Y	93.1	Very high	78	Confident	26 Å²	26	40 Å²	40	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	98.2	172.6	-65.7	-101.6	0	0	0	108	L381 R382 V384 D434 V439 P495 P497	L381-Y436 VanDerWaalsContact CA-O 3.31Å; L381-Y436 WeakPolarHBondContact CA-O 3.45Å; R382-Y436 HydrophobicContact CG-CG 4.41Å; R382-Y436 VanDerWaalsContact CZ-CG 3.49Å; R382-Y436 PolarHBondContact N-O 2.55Å; R382-Y436 PolarHBondContact O-N 2.74Å; V384-Y436 HydrophobicContact CB-CE2 3.96Å; V384-Y436 HydrophobicContact CG2-CD2 3.97Å; V384-Y436 HydrophobicContact CG2-CE2 3.58Å; D434-Y436 HydrophobicContact CB-CE2 3.91Å; Y436-V439 HydrophobicContact CD1-CG2 3.89Å; Y436-V439 HydrophobicContact CG-CG2 4.46Å; Y436-P495 WeakPolarHBondContact CE1-O 3.45Å; Y436-P497 HydrophobicContact CD1-CB 4.36Å; Y436-P497 HydrophobicContact CD2-CB 4.18Å; Y436-P497 HydrophobicContact CE1-CB 4Å; Y436-P497 HydrophobicContact CE1-CG 4.09Å; Y436-P497 HydrophobicContact CE2-CB 3.77Å; Y436-P497 HydrophobicContact CE2-CG 3.99Å; Y436-P497 HydrophobicContact CG-CB 4.45Å; Y436-P497 WeakPolarHBondContact OH-CD 3.17Å; Y436-P497 WeakPolarHBondContact OH-CG 3.42Å
437	D	91.8	Very high	75.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.			trans	-122.2	-10.7	-174.5	65.1	-14.7	0	0	0	113.8	L363 L381 Q400 L435 T498 Y553	L363-D437 WeakPolarHBondContact CD1-OD2 3.32Å; L381-D437 HydrophobicContact CB-CB 4.25Å; L381-D437 HydrophobicContact CD1-CB 3.78Å; L381-D437 HydrophobicContact CG-CB 3.98Å; Q400-D437 PolarHBondContact NE2-O 3.03Å; L435-D437 HydrophobicContact CD1-CB 4.45Å; L435-D437 HydrophobicContact CD2-CB 4.4Å; L435-D437 HydrophobicContact CG-CB 4.19Å; D437-T498 WeakPolarHBondContact OD1-CB 3.47Å; D437-T498 PolarHBondContact OD1-OG1 2.98Å; D437-Y553 PolarHBondContact OD1-OH 3.16Å; D437-Y553 PolarHBondContact OD2-OH 2.95Å
438	R	88.8	Confident	73.3	Confident	23 Å²	23	53.3 Å²	53.3	9%	0.087	30%	0.298	C	S	.	.			trans	-125	21.6	-178.9	-53.7	-50.4	-166.9	-99	-12.5	114.6	P364 A366 Y368 M374 C440 T498	P364-R438 PolarHBondContact O-NH2 3.44Å; A366-R438 PolarHBondContact O-NE 3.01Å; A366-R438 PolarHBondContact O-NH2 2.78Å; Y368-R438 HydrophobicContact CE2-CG 4.47Å; M374-R438 PolarHBondContact SD-NE 3.13Å; M374-R438 PolarHBondContact SD-NH1 2.89Å; R438-C440 PolarHBondContact O-N 2.82Å; R438-T498 HydrophobicContact CB-CG2 4.03Å; R438-T498 HydrophobicContact CG-CG2 4.23Å
439	V	87.8	Confident	71.3	Confident	20 Å²	20	62.3 Å²	62.3	12%	0.121	34%	0.337	C	S	.	.			trans	-68.2	121.1	176.3	-178.1	0	0	0	0	107.6	C378 E379 Y436 P495	C378-V439 CarbonylContact C-O 3.51Å; C378-V439 WeakPolarHBondContact CA-O 3.45Å; C378-V439 WeakPolarHBondContact CB-O 3.42Å; E379-V439 HydrophobicContact CB-CB 4.28Å; E379-V439 HydrophobicContact CG-CB 4.37Å; E379-V439 HydrophobicContact CG-CG1 4.21Å; E379-V439 PolarHBondContact N-O 3.41Å; E379-V439 WeakPolarHBondContact OE2-CG1 3.4Å; Y436-V439 HydrophobicContact CD1-CG2 3.89Å; Y436-V439 HydrophobicContact CG-CG2 4.46Å; V439-P495 HydrophobicContact CB-CB 4.48Å; V439-P495 HydrophobicContact CG1-CB 3.75Å; V439-P495 HydrophobicContact CG1-CG 4.17Å; V439-P495 HydrophobicContact CG2-CB 3.87Å
440	C	85	Confident	69.1	Low	50 Å²	50	66.5 Å²	66.5	34%	0.338	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-79.5	146.9	-179	-64.4	0	0	0	0	110.7	R438 D442	R438-C440 PolarHBondContact O-N 2.82Å; C440-D442 PolarHBondContact O-N 3.45Å
441	H	76.8	Confident	66.6	Low	81 Å²	81	73 Å²	73	38%	0.375	39%	0.389	S	S	.	.	S	Bend	trans	-63.4	-27.8	178.6	-74.2	-58.6	0	0	0	114	I377 C378 E379	I377-H441 PolarHBondContact O-N 2.78Å; I377-H441 VanDerWaalsContact O-N 3.16Å; C378-H441 PolarHBondContact O-NE2 3.02Å; E379-H441 VanDerWaalsContact CA-CE1 3.46Å; E379-H441 WeakPolarHBondContact CA-CE1 3.35Å; E379-H441 WeakPolarHBondContact CG-ND1 3.43Å
442	D	60.5	Low	63.8	Low	130 Å²	130	79 Å²	79	70%	0.695	43%	0.428	S	S	*	.			trans	-123.8	110.9	-177.6	-71.9	-42.4	0	0	0	111.3	C440 G444	C440-D442 PolarHBondContact O-N 3.45Å; D442-G444 PolarHBondContact O-N 2.93Å; D442-G444 VanDerWaalsContact O-N 3.1Å
443	D	50	Low	61.3	Low	110 Å²	110	80.6 Å²	80.6	59%	0.588	45%	0.449	S	S	*	.			trans	-69.3	5.7	165.1	-94.1	-14.4	0	0	0	112.6	T445	D443-T445 PolarHBondContact O-N 2.84Å; D443-T445 VanDerWaalsContact O-N 3.16Å
444	G	39.6	Very low	58.8	Low	44 Å²	44	88.7 Å²	88.7	45%	0.454	49%	0.492	S	S	.	.	S	Bend	trans	-83.6	80.3	178.5	0	0	0	0	0	112.3	D442 N446	D442-G444 PolarHBondContact O-N 2.93Å; D442-G444 VanDerWaalsContact O-N 3.1Å; G444-N446 PolarHBondContact O-N 2.81Å
445	T	33.6	Very low	56.5	Low	132 Å²	132	89.8 Å²	89.8	81%	0.81	51%	0.506	S	S	*	.			trans	34.6	62.9	153	55.8	0	0	0	0	115.9	D443	D443-T445 PolarHBondContact O-N 2.84Å; D443-T445 VanDerWaalsContact O-N 3.16Å
446	N	33.9	Very low	54.6	Low	144 Å²	144	96.8 Å²	96.8	77%	0.77	54%	0.542	S	S	*	.			trans	-117.3	80.5	152.6	-75.6	-34.8	0	0	0	105.9	G444 V448	G444-N446 PolarHBondContact O-N 2.81Å; N446-V448 PolarHBondContact O-N 2.91Å
447	E	35.8	Very low	52.4	Low	182 Å²	182	104 Å²	104	85%	0.85	58%	0.575	S	S	*	*			trans	-50.6	105.1	153.1	-72.1	-178.3	168.8	0	0	105.4	K449	E447-K449 PolarHBondContact O-N 2.82Å
448	V	39.1	Very low	50.7	Low	122 Å²	122	108.6 Å²	108.6	74%	0.739	61%	0.606	S	S	*	*			trans	-59.6	99	169.9	177	0	0	0	0	104.3	N446 Q450	N446-V448 PolarHBondContact O-N 2.91Å; V448-Q450 PolarHBondContact O-N 3.28Å
449	K	36	Very low	48.9	Very low	191 Å²	191	111.9 Å²	111.9	83%	0.83	63%	0.628	S	S	*	*			trans	-57.6	97.2	166.3	-74.1	-178.4	178.2	178.9	0	105	E447 L451	E447-K449 PolarHBondContact O-N 2.82Å; K449-L451 PolarHBondContact O-N 3.35Å; K449-L451 VanDerWaalsContact O-N 3.12Å
450	Q	38.8	Very low	47.3	Very low	104 Å²	104	114.9 Å²	114.9	49%	0.486	64%	0.641	S	S	.	*			trans	-55.3	123	170.4	-65.6	-168.6	11.9	0	0	106	V448 P461	V448-Q450 PolarHBondContact O-N 3.28Å; Q450-P461 HydrophobicContact CB-CG 4.16Å; Q450-P461 HydrophobicContact CG-CG 4.3Å; Q450-P461 VanDerWaalsContact OE1-CD 3.23Å
451	L	35.8	Very low	45.7	Very low	144 Å²	144	115.4 Å²	115.4	75%	0.754	64%	0.644	S	S	*	*			trans	-57	132.3	168.7	-88.6	106.2	0	0	0	106.9	K449 G453	K449-L451 PolarHBondContact O-N 3.35Å; K449-L451 VanDerWaalsContact O-N 3.12Å; L451-G453 PolarHBondContact O-N 3.02Å
452	P	35.7	Very low	44.6	Very low	126 Å²	126	115.7 Å²	115.7	82%	0.818	65%	0.648	S	S	*	*			trans	-68	90.4	175.3	27.8	-31.2	0	0	0	107.6
453	G	40.2	Very low	44.7	Very low	54 Å²	54	111.2 Å²	111.2	56%	0.557	62%	0.624	S	S	*	*			trans	-108.4	116.3	171	0	0	0	0	0	106.6	L451 G455	L451-G453 PolarHBondContact O-N 3.02Å; G453-G455 PolarHBondContact O-N 3.45Å
454	N	43.5	Very low	45.1	Very low	169 Å²	169	110 Å²	110	90%	0.904	62%	0.617	S	S	*	*			trans	-31.1	94.3	178.9	-55.9	-0.1	0	0	0	112.1
455	G	47.2	Very low	45.9	Very low	33 Å²	33	113.6 Å²	113.6	34%	0.34	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-78	150.5	177.7	0	0	0	0	0	110.4	G453 T459 E460	G453-G455 PolarHBondContact O-N 3.45Å; G455-T459 WeakPolarHBondContact CA-OG1 3.35Å; G455-E460 PolarHBondContact N-OE1 2.86Å
456	L	53.1	Low	46.5	Very low	147 Å²	147	112.8 Å²	112.8	77%	0.77	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.9	143.3	162.3	-124.8	92.1	0	0	0	108	C458 T459	L456-C458 PolarHBondContact O-N 3.36Å; L456-T459 PolarHBondContact N-OG1 2.8Å; L456-T459 VanDerWaalsContact N-OG1 3.13Å; L456-T459 WeakPolarHBondContact O-CB 3.29Å; L456-T459 PolarHBondContact O-N 3.19Å; L456-T459 PolarHBondContact O-OG1 2.91Å
457	F	47.5	Very low	47.2	Very low	179 Å²	179	108.6 Å²	108.6	79%	0.785	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	127.1	179.2	-160.2	-96.6	0	0	0	110.6
458	C	55.7	Low	47.7	Very low	96 Å²	96	105.6 Å²	105.6	65%	0.649	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.2	19.8	-171.5	-52	0	0	0	0	117.3	L456 D463	L456-C458 PolarHBondContact O-N 3.36Å; C458-D463 WeakPolarHBondContact CA-OD2 3.49Å; C458-D463 PolarHBondContact N-OD2 3.19Å
459	T	50.6	Low	47.9	Very low	91 Å²	91	103 Å²	103	56%	0.558	58%	0.576	S	S	*	*			trans	-121.9	-1.8	175.9	58.8	0	0	0	0	114.8	G455 L456 D463	G455-T459 WeakPolarHBondContact CA-OG1 3.35Å; L456-T459 PolarHBondContact N-OG1 2.8Å; L456-T459 VanDerWaalsContact N-OG1 3.13Å; L456-T459 WeakPolarHBondContact O-CB 3.29Å; L456-T459 PolarHBondContact O-N 3.19Å; L456-T459 PolarHBondContact O-OG1 2.91Å; T459-D463 PolarHBondContact N-OD2 3.1Å
460	E	55.1	Low	48.2	Very low	84 Å²	84	101.7 Å²	101.7	39%	0.393	57%	0.573	S	S	.	*	S	Bend	trans	-83.8	148.8	178.5	-66.8	-153.5	173.2	0	0	111.7	G455 D462 D463	G455-E460 PolarHBondContact N-OE1 2.86Å; E460-D462 PolarHBondContact O-N 3.25Å; E460-D463 PolarHBondContact N-OD2 3.08Å; E460-D463 VanDerWaalsContact O-CB 3.28Å; E460-D463 WeakPolarHBondContact O-CB 3.16Å; E460-D463 PolarHBondContact O-N 3.44Å
461	P	52	Low	48.3	Very low	61 Å²	61	100.5 Å²	100.5	40%	0.396	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-6.8	-176.1	27.6	-34	0	0	0	114	Q450	Q450-P461 HydrophobicContact CB-CG 4.16Å; Q450-P461 HydrophobicContact CG-CG 4.3Å; Q450-P461 VanDerWaalsContact OE1-CD 3.23Å
462	D	53.8	Low	48.4	Very low	86 Å²	86	101.3 Å²	101.3	46%	0.46	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-1.6	172.1	-79	-33.3	0	0	0	112.5	E460 D464 K465	E460-D462 PolarHBondContact O-N 3.25Å; D462-D464 PolarHBondContact O-N 2.98Å; D462-K465 HydrophobicContact CB-CD 4.34Å; D462-K465 WeakPolarHBondContact O-CA 3.16Å; D462-K465 WeakPolarHBondContact O-CB 3.19Å; D462-K465 PolarHBondContact O-N 3.41Å; D462-K465 WeakPolarHBondContact OD1-CD 3.23Å; D462-K465 WeakPolarHBondContact OD1-CE 3.11Å; D462-K465 IonicContact OD1-NZ 3.65Å; D462-K465 PolarHBondContact OD1-NZ 3.37Å; D462-K465 IonicContact OD2-NZ 3.79Å
463	D	62	Low	48.5	Very low	37 Å²	37	101.3 Å²	101.3	20%	0.198	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-66.2	-25.2	177.4	-74.8	-23	0	0	0	111.3	C458 T459 E460 K465 I466	C458-D463 WeakPolarHBondContact CA-OD2 3.49Å; C458-D463 PolarHBondContact N-OD2 3.19Å; T459-D463 PolarHBondContact N-OD2 3.1Å; E460-D463 PolarHBondContact N-OD2 3.08Å; E460-D463 VanDerWaalsContact O-CB 3.28Å; E460-D463 WeakPolarHBondContact O-CB 3.16Å; E460-D463 PolarHBondContact O-N 3.44Å; D463-K465 PolarHBondContact O-N 3.48Å; D463-I466 HydrophobicContact CB-CD1 4.31Å; D463-I466 VanDerWaalsContact O-CB 3.24Å; D463-I466 WeakPolarHBondContact O-CB 3.43Å; D463-I466 PolarHBondContact O-N 3.36Å; D463-I466 VanDerWaalsContact OD1-CD1 3.24Å; D463-I466 WeakPolarHBondContact OD1-CD1 3.33Å
464	D	57.3	Low	48.2	Very low	83 Å²	83	107.2 Å²	107.2	44%	0.444	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-71.2	-3.5	167.9	42.2	-66.9	0	0	0	114.2	D462 K468	D462-D464 PolarHBondContact O-N 2.98Å; D464-K468 VanDerWaalsContact O-CE 3.28Å; D464-K468 WeakPolarHBondContact O-CE 3.35Å
465	K	56.5	Low	47.8	Very low	121 Å²	121	104.8 Å²	104.8	53%	0.526	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-89.6	-15.5	163.6	-59.2	178.7	178.9	157.2	0	112.5	D462 D463 G467 K468	D462-K465 HydrophobicContact CB-CD 4.34Å; D462-K465 WeakPolarHBondContact O-CA 3.16Å; D462-K465 WeakPolarHBondContact O-CB 3.19Å; D462-K465 PolarHBondContact O-N 3.41Å; D462-K465 WeakPolarHBondContact OD1-CD 3.23Å; D462-K465 WeakPolarHBondContact OD1-CE 3.11Å; D462-K465 IonicContact OD1-NZ 3.65Å; D462-K465 PolarHBondContact OD1-NZ 3.37Å; D462-K465 IonicContact OD2-NZ 3.79Å; D463-K465 PolarHBondContact O-N 3.48Å; K465-G467 PolarHBondContact O-N 2.91Å; K465-K468 HydrophobicContact CG-CD 4.4Å; K465-K468 PolarHBondContact O-N 2.91Å; K465-K468 VanDerWaalsContact O-N 3.08Å
466	I	47.3	Very low	46.9	Very low	115 Å²	115	109.7 Å²	109.7	59%	0.59	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	94.8	173.8	-58.7	175.6	0	0	0	107.5	D463	D463-I466 HydrophobicContact CB-CD1 4.31Å; D463-I466 VanDerWaalsContact O-CB 3.24Å; D463-I466 WeakPolarHBondContact O-CB 3.43Å; D463-I466 PolarHBondContact O-N 3.36Å; D463-I466 VanDerWaalsContact OD1-CD1 3.24Å; D463-I466 WeakPolarHBondContact OD1-CD1 3.33Å
467	G	47.6	Very low	45.9	Very low	55 Å²	55	108.5 Å²	108.5	57%	0.567	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.6	-8.4	-175.9	0	0	0	0	0	114.7	K465 A469	K465-G467 PolarHBondContact O-N 2.91Å; G467-A469 PolarHBondContact O-N 3.38Å
468	K	46.1	Very low	45.1	Very low	120 Å²	120	108.3 Å²	108.3	52%	0.522	59%	0.59	S	S	.	*			trans	-72.5	80.6	168	-73.7	-178	-177.6	163.5	0	109.3	D464 K465 Q470	D464-K468 VanDerWaalsContact O-CE 3.28Å; D464-K468 WeakPolarHBondContact O-CE 3.35Å; K465-K468 HydrophobicContact CG-CD 4.4Å; K465-K468 PolarHBondContact O-N 2.91Å; K465-K468 VanDerWaalsContact O-N 3.08Å; K468-Q470 VanDerWaalsContact C-N 3.35Å; K468-Q470 PolarHBondContact O-N 2.93Å
469	A	43.7	Very low	43.8	Very low	66 Å²	66	108.7 Å²	108.7	55%	0.545	59%	0.593	S	S	.	*			trans	-59.9	104	156.5	0	0	0	0	0	106.2	G467 P471	G467-A469 PolarHBondContact O-N 3.38Å; A469-P471 WeakPolarHBondContact O-CD 3.35Å
470	Q	41.7	Very low	42.7	Very low	165 Å²	165	109.5 Å²	109.5	77%	0.771	60%	0.598	S	S	*	*			trans	-52.5	115	168.8	-76.3	-167.5	-7	0	0	106.6	K468 N472	K468-Q470 VanDerWaalsContact C-N 3.35Å; K468-Q470 PolarHBondContact O-N 2.93Å; Q470-N472 PolarHBondContact O-N 2.66Å
471	P	41.2	Very low	41.4	Very low	79 Å²	79	114.2 Å²	114.2	51%	0.513	62%	0.618	S	S	.	*			trans	-69.5	108.3	176.6	26.4	-26.4	0	0	0	105.6	A469 L473 L780	A469-P471 WeakPolarHBondContact O-CD 3.35Å; P471-L473 HydrophobicContact CB-CB 4.22Å; P471-L473 CarbonylContact O-C 3.5Å; P471-L473 PolarHBondContact O-N 3.44Å; P471-L780 HydrophobicContact CB-CD2 3.92Å; P471-L780 HydrophobicContact CG-CD2 4.44Å
472	N	38.6	Very low	40.2	Very low	160 Å²	160	117.4 Å²	117.4	86%	0.856	64%	0.64	S	S	*	*			trans	-61	-0	159.1	-74.6	-33.3	0	0	0	111.6	Q470 K474	Q470-N472 PolarHBondContact O-N 2.66Å; N472-K474 PolarHBondContact O-N 2.9Å; N472-K474 VanDerWaalsContact O-N 3.16Å
473	L	37.9	Very low	38.9	Very low	126 Å²	126	118.5 Å²	118.5	66%	0.66	65%	0.645	S	S	*	*			trans	-73.2	93.8	156.4	-95.6	89.5	0	0	0	110	P471 T475	P471-L473 HydrophobicContact CB-CB 4.22Å; P471-L473 CarbonylContact O-C 3.5Å; P471-L473 PolarHBondContact O-N 3.44Å; L473-T475 HydrophobicContact CB-CG2 4.46Å; L473-T475 HydrophobicContact CD2-CG2 4.11Å; L473-T475 PolarHBondContact O-N 3.47Å
474	K	34.3	Very low	37.3	Very low	178 Å²	178	124.4 Å²	124.4	77%	0.774	68%	0.676	S	S	*	*			trans	-56.4	94	142.1	-70.2	-179.7	-179.9	176.9	0	106.9	N472 N476	N472-K474 PolarHBondContact O-N 2.9Å; N472-K474 VanDerWaalsContact O-N 3.16Å; K474-N476 PolarHBondContact O-N 3.36Å
475	T	34.9	Very low	36	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.724	69%	0.693	S	S	*	*			trans	-70.4	70.3	161.5	36.4	0	0	0	0	108.2	L473 V477	L473-T475 HydrophobicContact CB-CG2 4.46Å; L473-T475 HydrophobicContact CD2-CG2 4.11Å; L473-T475 PolarHBondContact O-N 3.47Å; T475-V477 PolarHBondContact O-N 3.05Å
476	N	28.3	Very low	34.6	Very low	136 Å²	136	130.2 Å²	130.2	73%	0.727	70%	0.704	S	S	*	*			trans	-71.2	63.4	165	-82.9	-12.6	0	0	0	109.1	K474	K474-N476 PolarHBondContact O-N 3.36Å
477	V	31.6	Very low	33.7	Very low	122 Å²	122	131 Å²	131	74%	0.739	71%	0.714	S	S	*	*			trans	-144.2	48	167	-160.3	0	0	0	0	110.6	T475	T475-V477 PolarHBondContact O-N 3.05Å
478	F	30.6	Very low	32.8	Very low	176 Å²	176	132.4 Å²	132.4	77%	0.772	73%	0.729	S	S	*	*	S	Bend	trans	-137.4	105.3	144.4	-76.6	-73.3	0	0	0	106.4	T480	F478-T480 PolarHBondContact O-N 2.95Å
479	S	29.6	Very low	32.1	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	74%	0.74	S	S	*	*			trans	-58.7	95.9	-179.2	169.7	0	0	0	0	110.5	K481	S479-K481 PolarHBondContact O-N 3.1Å
480	T	27.8	Very low	31.5	Very low	109 Å²	109	139.2 Å²	139.2	67%	0.669	76%	0.757	S	S	*	*			trans	-70.9	69.5	158.2	49.9	0	0	0	0	109.1	F478	F478-T480 PolarHBondContact O-N 2.95Å
481	K	26	Very low	31.2	Very low	183 Å²	183	141 Å²	141	80%	0.796	76%	0.756	S	S	*	*			trans	-121.3	63.6	162.1	-77.3	-171.9	177.1	179.9	0	108.3	S479	S479-K481 PolarHBondContact O-N 3.1Å
482	C	27.5	Very low	31.1	Very low	128 Å²	128	141.8 Å²	141.8	87%	0.865	76%	0.764	S	S	*	*			trans	-171.5	70.7	161.6	-88	0	0	0	0	106.7
483	I	27.1	Very low	31.8	Very low	109 Å²	109	139.9 Å²	139.9	56%	0.559	75%	0.748	S	S	*	*			trans	-113.7	94.8	165	-59.4	177.1	0	0	0	105.8	K485	I483-K485 HydrophobicContact CG2-CG 3.63Å; I483-K485 PolarHBondContact O-N 2.73Å
484	D	28	Very low	32.8	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	75%	0.746	S	S	*	*			trans	-70.5	112	149.6	-90.8	-32.9	0	0	0	107.1	N486	D484-N486 PolarHBondContact O-N 2.96Å
485	K	29.3	Very low	34.5	Very low	185 Å²	185	133.7 Å²	133.7	80%	0.804	73%	0.725	S	S	*	*			trans	-75.5	24.9	-174.2	-78.9	-173.5	172.2	180	0	114.4	I483	I483-K485 HydrophobicContact CG2-CG 3.63Å; I483-K485 PolarHBondContact O-N 2.73Å
486	N	27.5	Very low	36.4	Very low	141 Å²	141	129.8 Å²	129.8	75%	0.754	70%	0.703	S	S	*	*			trans	-131.2	82.8	-171.8	-69.7	-17.7	0	0	0	112	D484	D484-N486 PolarHBondContact O-N 2.96Å
487	T	28.6	Very low	39.2	Very low	132 Å²	132	123.4 Å²	123.4	81%	0.81	67%	0.669	S	S	*	*			trans	-175.6	73.2	147.7	27.4	0	0	0	0	108.5	E489	T487-E489 PolarHBondContact O-N 2.83Å
488	G	27.8	Very low	41.9	Very low	85 Å²	85	118.7 Å²	118.7	88%	0.876	64%	0.641	S	S	*	*			trans	-76.6	73.5	165	0	0	0	0	0	109.8
489	E	32.4	Very low	44.8	Very low	159 Å²	159	110.3 Å²	110.3	74%	0.743	60%	0.604	S	S	*	*			trans	-90.9	120.3	158.7	-75.7	-175.2	166.7	0	0	107.2	T487 R491	T487-E489 PolarHBondContact O-N 2.83Å; E489-R491 VanDerWaalsContact C-N 3.27Å; E489-R491 PolarHBondContact O-N 3.18Å
490	N	31.5	Very low	47.8	Very low	169 Å²	169	106.8 Å²	106.8	90%	0.904	58%	0.575	S	S	*	*			trans	-52.3	89.1	172.4	-73	-23.5	0	0	0	109.8	S492	N490-S492 PolarHBondContact O-N 2.63Å; N490-S492 VanDerWaalsContact O-N 3.08Å
491	R	34.2	Very low	51	Low	203 Å²	203	101.7 Å²	101.7	77%	0.766	54%	0.543	S	S	*	.			trans	-73.5	101.1	169.6	-72.3	-175.1	177.3	-173.9	-1	106.7	E489 K493	E489-R491 VanDerWaalsContact C-N 3.27Å; E489-R491 PolarHBondContact O-N 3.18Å; R491-K493 PolarHBondContact O-N 3.36Å
492	S	38.9	Very low	54.2	Low	95 Å²	95	95.4 Å²	95.4	66%	0.664	52%	0.52	S	S	*	.			trans	-45.6	125.2	167.6	51.9	0	0	0	0	108.8	N490 I494	N490-S492 PolarHBondContact O-N 2.63Å; N490-S492 VanDerWaalsContact O-N 3.08Å; S492-I494 PolarHBondContact O-N 2.75Å
493	K	53.5	Low	57.3	Low	121 Å²	121	89.3 Å²	89.3	53%	0.526	48%	0.479	S	S	.	.			trans	-61.3	114.3	179.9	-83.5	177.1	177.5	173.9	0	106.7	R491 P495	R491-K493 PolarHBondContact O-N 3.36Å; K493-P495 VanDerWaalsContact O-CD 3.26Å; K493-P495 WeakPolarHBondContact O-CD 3.31Å
494	I	59.1	Low	60.2	Low	119 Å²	119	85.2 Å²	85.2	61%	0.61	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-59.1	117.8	176	-61.6	166	0	0	0	106.6	S492 S496 R537	S492-I494 PolarHBondContact O-N 2.75Å; I494-S496 PolarHBondContact O-N 2.72Å; I494-R537 PolarHBondContact O-NH2 3.09Å
495	P	69.7	Low	63.2	Low	54 Å²	54	77.6 Å²	77.6	35%	0.351	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-58.8	135.7	-175.9	20	-29.5	0	0	0	108.7	Y436 V439 K493	Y436-P495 WeakPolarHBondContact CE1-O 3.45Å; V439-P495 HydrophobicContact CB-CB 4.48Å; V439-P495 HydrophobicContact CG1-CB 3.75Å; V439-P495 HydrophobicContact CG1-CG 4.17Å; V439-P495 HydrophobicContact CG2-CB 3.87Å; K493-P495 VanDerWaalsContact O-CD 3.26Å; K493-P495 WeakPolarHBondContact O-CD 3.31Å
496	S	76.1	Confident	65.7	Low	37 Å²	37	69.5 Å²	69.5	26%	0.259	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-94.8	148.4	176.7	64.1	0	0	0	0	110.2	I494 R548	I494-S496 PolarHBondContact O-N 2.72Å; S496-R548 PolarHBondContact OG-NH2 2.99Å
497	P	86.8	Confident	68.5	Low	2 Å²	2	65.5 Å²	65.5	1%	0.013	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66.5	152.8	175.5	8.6	-0.1	0	0	0	111.5	D434 L435 Y436 I525 R548	D434-P497 HydrophobicContact CB-CB 3.73Å; D434-P497 HydrophobicContact CB-CG 3.77Å; D434-P497 WeakPolarHBondContact OD2-CG 3.36Å; L435-P497 WeakPolarHBondContact O-CA 3.31Å; L435-P497 WeakPolarHBondContact O-CB 3.41Å; Y436-P497 HydrophobicContact CD1-CB 4.36Å; Y436-P497 HydrophobicContact CD2-CB 4.18Å; Y436-P497 HydrophobicContact CE1-CB 4Å; Y436-P497 HydrophobicContact CE1-CG 4.09Å; Y436-P497 HydrophobicContact CE2-CB 3.77Å; Y436-P497 HydrophobicContact CE2-CG 3.99Å; Y436-P497 HydrophobicContact CG-CB 4.45Å; Y436-P497 WeakPolarHBondContact OH-CD 3.17Å; Y436-P497 WeakPolarHBondContact OH-CG 3.42Å; P497-I525 HydrophobicContact CB-CD1 3.42Å; P497-I525 VanDerWaalsContact CB-CD1 3.42Å; P497-I525 HydrophobicContact CG-CD1 3.31Å; P497-R548 PolarHBondContact O-NH1 3.25Å
498	T	88.8	Confident	71.4	Confident	23 Å²	23	59.2 Å²	59.2	14%	0.141	32%	0.323	C	S	.	.	S	Bend	trans	-98.9	-44.3	-178.1	42.5	0	0	0	0	111.2	L435 D437 R438 I525 I551 Y553	L435-T498 PolarHBondContact O-N 3.48Å; L435-T498 PolarHBondContact O-OG1 3.3Å; D437-T498 WeakPolarHBondContact OD1-CB 3.47Å; D437-T498 PolarHBondContact OD1-OG1 2.98Å; R438-T498 HydrophobicContact CB-CG2 4.03Å; R438-T498 HydrophobicContact CG-CG2 4.23Å; T498-I525 PolarHBondContact O-N 2.82Å; T498-I551 HydrophobicContact CG2-CD1 3.77Å; T498-Y553 WeakPolarHBondContact CB-OH 3.34Å; T498-Y553 PolarHBondContact OG1-OH 2.71Å; T498-Y553 VanDerWaalsContact OG1-OH 3.12Å
499	G	91.2	Very high	74.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	158.6	175	0	0	0	0	0	112.2	L435 L523	L435-G499 PolarHBondContact N-O 2.89Å; L435-G499 PolarHBondContact O-N 3.05Å; G499-L523 CarbonylContact C-O 3.52Å; G499-L523 WeakPolarHBondContact CA-O 3.43Å
500	R	92.5	Very high	76.5	Confident	29 Å²	29	55.5 Å²	55.5	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138	175	172.6	168.4	-69.7	-172.9	-4.3	110.6	V432 I433 D434 V502 L523 I525 D529	V432-R500 HydrophobicContact CG1-CG 3.93Å; I433-R500 WeakPolarHBondContact O-CA 3.37Å; D434-R500 IonicContact OD1-CZ 2.65Å; D434-R500 VanDerWaalsContact OD1-CZ 3.26Å; D434-R500 IonicContact OD1-NE 3.35Å; D434-R500 PolarHBondContact OD1-NE 3.4Å; D434-R500 IonicContact OD1-NH2 3.7Å; D434-R500 PolarHBondContact OD1-NH2 3.5Å; D434-R500 IonicContact OD2-CZ 3.4Å; D434-R500 IonicContact OD2-NH2 2.62Å; D434-R500 PolarHBondContact OD2-NH2 3.29Å; R500-V502 HydrophobicContact CG-CG2 4.07Å; R500-L523 PolarHBondContact N-O 2.81Å; R500-L523 PolarHBondContact O-N 3.42Å; R500-I525 HydrophobicContact CB-CD1 4.26Å; R500-I525 HydrophobicContact CB-CG1 3.55Å; R500-D529 VanDerWaalsContact NH1-CB 3.28Å; R500-D529 VanDerWaalsContact NH1-CG 3.28Å; R500-D529 IonicContact NH1-OD1 2.85Å; R500-D529 IonicContact NH1-OD2 3.24Å
501	I	94.6	Very high	79.2	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.2	168.4	-50	103	0	0	0	107.7	I433 L520 I522 I560	I433-I501 HydrophobicContact CB-CB 4.19Å; I433-I501 HydrophobicContact CB-CD1 4.02Å; I433-I501 HydrophobicContact CG2-CD1 4.01Å; I433-I501 PolarHBondContact N-O 3.34Å; I433-I501 PolarHBondContact O-N 2.64Å; I501-L520 HydrophobicContact CG2-CB 3.66Å; I501-L520 HydrophobicContact CG2-CD1 3.71Å; I501-L520 HydrophobicContact CG2-CG 4.35Å; I501-I522 HydrophobicContact CD1-CG1 3.93Å; I501-I522 HydrophobicContact CG1-CB 4.4Å; I501-I522 HydrophobicContact CG1-CG1 3.67Å; I501-I560 HydrophobicContact CB-CG2 4.44Å; I501-I560 HydrophobicContact CD1-CD1 4.29Å; I501-I560 HydrophobicContact CD1-CG2 4.32Å; I501-I560 HydrophobicContact CG1-CG2 3.85Å; I501-I560 HydrophobicContact CG2-CG2 3.9Å
502	V	92.3	Very high	81.7	Confident	51 Å²	51	48.1 Å²	48.1	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.4	176.7	-177.9	0	0	0	0	107.5	P430 R500	P430-V502 HydrophobicContact CB-CG1 3.44Å; P430-V502 VanDerWaalsContact CB-CG1 3.44Å; P430-V502 HydrophobicContact CG-CG1 3.6Å; R500-V502 HydrophobicContact CG-CG2 4.07Å
503	L	93.4	Very high	84	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	106.9	178.7	170.5	61.4	0	0	0	109.8	L355 P430 V431 L505 L520 I564	L355-L503 HydrophobicContact CD2-CD2 3.82Å; P430-L503 CarbonylContact C-O 3.56Å; P430-L503 VanDerWaalsContact CA-O 3.29Å; P430-L503 WeakPolarHBondContact CA-O 3.37Å; P430-L503 WeakPolarHBondContact CB-O 3.31Å; V431-L503 HydrophobicContact CB-CB 4.19Å; V431-L503 HydrophobicContact CB-CD2 4.34Å; V431-L503 HydrophobicContact CB-CG 4.46Å; V431-L503 PolarHBondContact N-O 3.46Å; V431-L503 PolarHBondContact O-N 3.35Å; L503-L505 HydrophobicContact CD2-CD2 4.18Å; L503-L505 HydrophobicContact CG-CD2 4.14Å; L503-L520 HydrophobicContact CB-CD1 3.99Å; L503-L520 HydrophobicContact CD1-CD1 3.79Å; L503-L520 HydrophobicContact CG-CD1 4.48Å; L503-I564 HydrophobicContact CD1-CD1 3.45Å; L503-I564 VanDerWaalsContact CD1-CD1 3.45Å; L503-I564 HydrophobicContact CD1-CG1 4.41Å; L503-I564 HydrophobicContact CD2-CD1 3.88Å; L503-I564 HydrophobicContact CD2-CG1 4.02Å; L503-I564 HydrophobicContact CG-CD1 4.18Å
504	D	88.7	Confident	85.7	Confident	23 Å²	23	44 Å²	44	12%	0.123	23%	0.234	C	C	.	.			trans	-85	119.6	173.9	-174	11.6	0	0	0	111.4	S506 R518	D504-S506 VanDerWaalsContact OD1-CB 3.24Å; D504-S506 WeakPolarHBondContact OD1-CB 3.28Å; D504-S506 PolarHBondContact OD1-N 3.06Å; D504-S506 PolarHBondContact OD1-OG 3.35Å; D504-S506 PolarHBondContact OD2-OG 2.91Å; D504-R518 PolarHBondContact O-NH2 3.12Å
505	L	90.6	Very high	87.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.222	C	C	.	.			trans	-82.8	-13.5	177.5	-59.8	-178.4	0	0	0	112.3	I353 F387 V426 V431 L503 E507 I508 I509 I564	I353-L505 HydrophobicContact CD1-CD1 4.49Å; F387-L505 HydrophobicContact CE2-CD1 4.11Å; F387-L505 HydrophobicContact CZ-CD1 4.1Å; V426-L505 HydrophobicContact CG1-CB 3.55Å; V426-L505 HydrophobicContact CG1-CD1 3.65Å; V426-L505 HydrophobicContact CG1-CG 4.26Å; V431-L505 HydrophobicContact CG2-CD1 3.81Å; V431-L505 HydrophobicContact CG2-CD2 4.47Å; V431-L505 HydrophobicContact CG2-CG 4.17Å; L503-L505 HydrophobicContact CD2-CD2 4.18Å; L503-L505 HydrophobicContact CG-CD2 4.14Å; L505-E507 PolarHBondContact O-N 3.23Å; L505-E507 VanDerWaalsContact O-N 3.09Å; L505-I508 VanDerWaalsContact O-CG2 3.25Å; L505-I508 WeakPolarHBondContact O-CG2 3.5Å; L505-I508 PolarHBondContact O-N 2.83Å; L505-I509 PolarHBondContact O-N 3.22Å; L505-I564 HydrophobicContact CD2-CD1 4.41Å; L505-I564 HydrophobicContact CD2-CG2 4.17Å
506	S	82.6	Confident	88.6	Confident	15 Å²	15	41.2 Å²	41.2	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-54.8	-35.5	-175.7	75.8	0	0	0	0	113.7	D504 I509 H510	D504-S506 VanDerWaalsContact OD1-CB 3.24Å; D504-S506 WeakPolarHBondContact OD1-CB 3.28Å; D504-S506 PolarHBondContact OD1-N 3.06Å; D504-S506 PolarHBondContact OD1-OG 3.35Å; D504-S506 PolarHBondContact OD2-OG 2.91Å; S506-I509 WeakPolarHBondContact O-CB 3.03Å; S506-I509 PolarHBondContact O-N 2.84Å; S506-H510 WeakPolarHBondContact O-CB 3.33Å; S506-H510 PolarHBondContact O-N 2.79Å
507	E	85.1	Confident	89.5	Confident	56 Å²	56	47 Å²	47	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-66.3	-39.1	179.9	-167.6	176.2	157	0	0	112.3	L505 I509 H510 L511 M516 R518	L505-E507 PolarHBondContact O-N 3.23Å; L505-E507 VanDerWaalsContact O-N 3.09Å; E507-I509 VanDerWaalsContact C-N 3.25Å; E507-I509 PolarHBondContact O-N 2.81Å; E507-H510 PolarHBondContact O-N 2.89Å; E507-L511 HydrophobicContact CG-CD1 3.85Å; E507-L511 HydrophobicContact CG-CG 4.29Å; E507-L511 WeakPolarHBondContact O-CB 3.49Å; E507-L511 WeakPolarHBondContact O-CG 3.49Å; E507-L511 PolarHBondContact O-N 3.23Å; E507-M516 HydrophobicContact CG-CE 4.1Å; E507-M516 WeakPolarHBondContact OE1-CE 3.36Å; E507-R518 IonicContact OE2-CZ 2.99Å; E507-R518 IonicContact OE2-NE 2.69Å; E507-R518 PolarHBondContact OE2-NE 3.18Å; E507-R518 IonicContact OE2-NH1 3.68Å; E507-R518 PolarHBondContact OE2-NH1 3.04Å; E507-R518 IonicContact OE2-NH2 3.6Å; E507-R518 PolarHBondContact OE2-NH2 3.28Å
508	I	89.4	Confident	89.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-34.6	178.9	-148.9	179.9	0	0	0	110.9	L505 K512 C513 M516 I564 M566	L505-I508 VanDerWaalsContact O-CG2 3.25Å; L505-I508 WeakPolarHBondContact O-CG2 3.5Å; L505-I508 PolarHBondContact O-N 2.83Å; I508-K512 WeakPolarHBondContact O-CA 3.42Å; I508-K512 PolarHBondContact O-N 2.63Å; I508-K512 VanDerWaalsContact O-N 3.07Å; I508-C513 HydrophobicContact CG1-CB 4.05Å; I508-C513 WeakPolarHBondContact CG1-O 3.26Å; I508-C513 PolarHBondContact O-N 2.65Å; I508-M516 HydrophobicContact CD1-CB 3.87Å; I508-M516 HydrophobicContact CG1-CB 4.01Å; I508-I564 HydrophobicContact CD1-CB 4.39Å; I508-I564 HydrophobicContact CD1-CG2 4.03Å; I508-M566 HydrophobicContact CD1-CB 4.11Å; I508-M566 HydrophobicContact CG2-SD 3.48Å; I508-M566 WeakPolarHBondContact CG2-SD 3.27Å
509	I	85.9	Confident	90.3	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-49.1	173.5	-49.2	-175.3	0	0	0	110.6	V426 Q427 L505 S506 E507 L511 K512 M570 L574	V426-I509 HydrophobicContact CB-CD1 3.6Å; V426-I509 HydrophobicContact CG1-CD1 3.56Å; V426-I509 HydrophobicContact CG1-CG1 4.07Å; V426-I509 WeakPolarHBondContact O-CD1 3.37Å; Q427-I509 HydrophobicContact CG-CD1 3.82Å; L505-I509 PolarHBondContact O-N 3.22Å; S506-I509 WeakPolarHBondContact O-CB 3.03Å; S506-I509 PolarHBondContact O-N 2.84Å; E507-I509 VanDerWaalsContact C-N 3.25Å; E507-I509 PolarHBondContact O-N 2.81Å; I509-L511 VanDerWaalsContact C-N 3.32Å; I509-L511 PolarHBondContact O-N 3.49Å; I509-K512 PolarHBondContact O-N 3.25Å; I509-K512 VanDerWaalsContact O-N 3.08Å; I509-M570 VanDerWaalsContact CA-CE 3.44Å; I509-M570 HydrophobicContact CB-CE 3.52Å; I509-M570 HydrophobicContact CD1-CE 4.23Å; I509-M570 HydrophobicContact CG1-CE 3.4Å; I509-M570 VanDerWaalsContact CG1-CE 3.4Å; I509-M570 HydrophobicContact CG2-CE 3.45Å; I509-M570 VanDerWaalsContact CG2-CE 3.45Å; I509-L574 HydrophobicContact CG2-CD2 4.3Å
510	H	82.1	Confident	90.5	Very high	155 Å²	155	52.8 Å²	52.8	72%	0.718	26%	0.262	S	S	*	.	H	α-helix	trans	-62.5	-42.8	-176.5	-170.3	79.6	0	0	0	111.6	S506 E507 K512	S506-H510 WeakPolarHBondContact O-CB 3.33Å; S506-H510 PolarHBondContact O-N 2.79Å; E507-H510 PolarHBondContact O-N 2.89Å; H510-K512 VanDerWaalsContact C-N 3.25Å; H510-K512 PolarHBondContact O-N 2.87Å
511	L	87.3	Confident	90.7	Very high	94 Å²	94	55.1 Å²	55.1	49%	0.492	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.5	177.2	-61.1	177.6	0	0	0	113.2	E507 I509 C513	E507-L511 HydrophobicContact CG-CD1 3.85Å; E507-L511 HydrophobicContact CG-CG 4.29Å; E507-L511 WeakPolarHBondContact O-CB 3.49Å; E507-L511 WeakPolarHBondContact O-CG 3.49Å; E507-L511 PolarHBondContact O-N 3.23Å; I509-L511 VanDerWaalsContact C-N 3.32Å; I509-L511 PolarHBondContact O-N 3.49Å; L511-C513 PolarHBondContact O-N 3.02Å; L511-C513 PolarHBondContact O-SG 2.81Å; L511-C513 VanDerWaalsContact O-SG 3.37Å
512	K	86.2	Confident	90.8	Very high	122 Å²	122	55.1 Å²	55.1	53%	0.53	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	39.7	-176	-60.2	-172.3	174.9	-164.2	0	113.1	I508 I509 H510 N571	I508-K512 WeakPolarHBondContact O-CA 3.42Å; I508-K512 PolarHBondContact O-N 2.63Å; I508-K512 VanDerWaalsContact O-N 3.07Å; I509-K512 PolarHBondContact O-N 3.25Å; I509-K512 VanDerWaalsContact O-N 3.08Å; H510-K512 VanDerWaalsContact C-N 3.25Å; H510-K512 PolarHBondContact O-N 2.87Å; K512-N571 PolarHBondContact NZ-OD1 2.83Å
513	C	87.8	Confident	90.7	Very high	51 Å²	51	56.8 Å²	56.8	35%	0.345	29%	0.288	S	S	.	.			trans	-92	144.6	-179.5	-68.8	0	0	0	0	110	I508 L511	I508-C513 HydrophobicContact CG1-CB 4.05Å; I508-C513 WeakPolarHBondContact CG1-O 3.26Å; I508-C513 PolarHBondContact O-N 2.65Å; L511-C513 PolarHBondContact O-N 3.02Å; L511-C513 PolarHBondContact O-SG 2.81Å; L511-C513 VanDerWaalsContact O-SG 3.37Å
514	V	90.1	Very high	90.5	Very high	80 Å²	80	59.8 Å²	59.8	49%	0.485	31%	0.308	S	S	.	.	S	Bend	trans	-84.8	-22.5	173.8	-176.6	0	0	0	0	110.9	I292 E565 M566	I292-V514 HydrophobicContact CD1-CG1 3.44Å; I292-V514 VanDerWaalsContact CD1-CG1 3.44Å; V514-E565 CarbonylContact O-C 3.54Å; V514-E565 WeakPolarHBondContact O-CA 3.48Å; V514-M566 PolarHBondContact O-N 3.21Å
515	K	94	Very high	90.2	Very high	82 Å²	82	59.5 Å²	59.5	36%	0.357	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	136.7	-173.9	-174.8	165	-178.9	149.1	0	111	E563 I564 E565	K515-E563 WeakPolarHBondContact CE-OE1 3.43Å; K515-E563 WeakPolarHBondContact CE-OE2 3.31Å; K515-E563 HydrophobicContact CG-CG 4.4Å; K515-E563 IonicContact NZ-OE1 3.7Å; K515-E563 PolarHBondContact NZ-OE1 2.92Å; K515-E563 IonicContact NZ-OE2 2.72Å; K515-E563 PolarHBondContact NZ-OE2 3.05Å; K515-I564 CarbonylContact C-O 3.57Å; K515-I564 VanDerWaalsContact CA-O 3.23Å; K515-I564 WeakPolarHBondContact CA-O 3.36Å; K515-E565 HydrophobicContact CD-CG 4.07Å; K515-E565 HydrophobicContact CG-CG 4.1Å; K515-E565 IonicContact NZ-OE1 2.81Å; K515-E565 PolarHBondContact NZ-OE1 3.38Å
516	M	94.8	Very high	89.4	Confident	31 Å²	31	61.4 Å²	61.4	15%	0.153	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	133.6	179.4	-171.1	-179	-169	0	0	110.8	E507 I508 R518 I564	E507-M516 HydrophobicContact CG-CE 4.1Å; E507-M516 WeakPolarHBondContact OE1-CE 3.36Å; I508-M516 HydrophobicContact CD1-CB 3.87Å; I508-M516 HydrophobicContact CG1-CB 4.01Å; M516-R518 HydrophobicContact CE-CG 3.89Å; M516-R518 HydrophobicContact CG-CG 4.29Å; M516-R518 HydrophobicContact SD-CG 4.18Å; M516-R518 PolarHBondContact SD-NH2 3.24Å; M516-R518 VanDerWaalsContact SD-NH2 3.36Å; M516-I564 PolarHBondContact N-O 2.89Å; M516-I564 PolarHBondContact O-N 2.85Å
517	K	95.3	Very high	88.7	Confident	159 Å²	159	63 Å²	63	69%	0.691	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	137	169.5	-71.1	-174.7	175.3	-176.9	0	109.7	E563	K517-E563 WeakPolarHBondContact CE-OE2 3.42Å; K517-E563 HydrophobicContact CG-CB 4.02Å; K517-E563 HydrophobicContact CG-CG 4.01Å; K517-E563 IonicContact NZ-OE2 3.94Å
518	R	95.3	Very high	87.9	Confident	48 Å²	48	61.4 Å²	61.4	18%	0.181	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.1	174.4	-75.8	-160.4	160	148.2	105.2	111.6	D504 E507 M516 L520 I562	D504-R518 PolarHBondContact O-NH2 3.12Å; E507-R518 IonicContact OE2-CZ 2.99Å; E507-R518 IonicContact OE2-NE 2.69Å; E507-R518 PolarHBondContact OE2-NE 3.18Å; E507-R518 IonicContact OE2-NH1 3.68Å; E507-R518 PolarHBondContact OE2-NH1 3.04Å; E507-R518 IonicContact OE2-NH2 3.6Å; E507-R518 PolarHBondContact OE2-NH2 3.28Å; M516-R518 HydrophobicContact CE-CG 3.89Å; M516-R518 HydrophobicContact CG-CG 4.29Å; M516-R518 HydrophobicContact SD-CG 4.18Å; M516-R518 PolarHBondContact SD-NH2 3.24Å; M516-R518 VanDerWaalsContact SD-NH2 3.36Å; R518-L520 HydrophobicContact CB-CD2 4.43Å; R518-L520 HydrophobicContact CB-CG 4.31Å; R518-I562 PolarHBondContact N-O 3.24Å; R518-I562 PolarHBondContact O-N 2.86Å; R518-I562 VanDerWaalsContact O-O 3.14Å
519	T	96.7	Very high	86.9	Confident	73 Å²	73	62.8 Å²	62.8	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.1	164.1	-57.7	0	0	0	0	107.2	E559 I560	T519-E559 HydrophobicContact CG2-CB 3.83Å; T519-E559 HydrophobicContact CG2-CG 3.8Å; T519-E559 WeakPolarHBondContact CG2-OE2 3.16Å; T519-I560 CarbonylContact C-O 3.48Å; T519-I560 VanDerWaalsContact CA-O 3.31Å; T519-I560 WeakPolarHBondContact CA-O 3.48Å
520	L	96.3	Very high	85.9	Confident	25 Å²	25	63.2 Å²	63.2	13%	0.131	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.6	-174.2	-63.6	175	0	0	0	110.3	I501 L503 R518 E559 I560 I562	I501-L520 HydrophobicContact CG2-CB 3.66Å; I501-L520 HydrophobicContact CG2-CD1 3.71Å; I501-L520 HydrophobicContact CG2-CG 4.35Å; L503-L520 HydrophobicContact CB-CD1 3.99Å; L503-L520 HydrophobicContact CD1-CD1 3.79Å; L503-L520 HydrophobicContact CG-CD1 4.48Å; R518-L520 HydrophobicContact CB-CD2 4.43Å; R518-L520 HydrophobicContact CB-CG 4.31Å; L520-E559 CarbonylContact O-C 3.57Å; L520-E559 VanDerWaalsContact O-CA 3.28Å; L520-E559 WeakPolarHBondContact O-CA 3.05Å; L520-I560 HydrophobicContact CB-CG2 4.18Å; L520-I560 PolarHBondContact N-O 3.09Å; L520-I560 PolarHBondContact O-N 3.25Å; L520-I562 HydrophobicContact CD1-CD1 4.48Å
521	P	96.6	Very high	84.8	Confident	78 Å²	78	56.5 Å²	56.5	51%	0.506	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	144.1	175.5	30.2	-34.5	0	0	0	110.7	L523	P521-L523 HydrophobicContact CB-CD2 4.34Å
522	I	95.3	Very high	83.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.293	C	S	.	.			trans	-87.9	120.6	168	-62.2	169.6	0	0	0	107	L360 L435 I501 Y553 C558 I560	L360-I522 HydrophobicContact CD1-CD1 3.51Å; L360-I522 HydrophobicContact CD2-CD1 4.3Å; L360-I522 HydrophobicContact CG-CD1 3.59Å; L435-I522 HydrophobicContact CD2-CD1 4.39Å; L435-I522 HydrophobicContact CD2-CG2 3.98Å; I501-I522 HydrophobicContact CD1-CG1 3.93Å; I501-I522 HydrophobicContact CG1-CB 4.4Å; I501-I522 HydrophobicContact CG1-CG1 3.67Å; I522-Y553 HydrophobicContact CG2-CD1 3.92Å; I522-Y553 HydrophobicContact CG2-CD2 4.37Å; I522-Y553 HydrophobicContact CG2-CE1 4.17Å; I522-Y553 HydrophobicContact CG2-CG 4.05Å; I522-Y553 VanDerWaalsContact O-CB 3.31Å; I522-Y553 WeakPolarHBondContact O-CB 2.97Å; I522-C558 HydrophobicContact CB-CB 4.39Å; I522-C558 VanDerWaalsContact CD1-SG 3.57Å; I522-C558 PolarHBondContact N-O 3.44Å; I522-I560 HydrophobicContact CD1-CB 4.36Å; I522-I560 HydrophobicContact CG1-CB 4.46Å
523	L	92.1	Very high	82.3	Confident	86 Å²	86	54 Å²	54	45%	0.45	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.3	-179.5	-62	179.2	0	0	0	110.3	G499 R500 P521 I525 V554	G499-L523 CarbonylContact C-O 3.52Å; G499-L523 WeakPolarHBondContact CA-O 3.43Å; R500-L523 PolarHBondContact N-O 2.81Å; R500-L523 PolarHBondContact O-N 3.42Å; P521-L523 HydrophobicContact CB-CD2 4.34Å; L523-I525 PolarHBondContact O-N 3.37Å; L523-V554 HydrophobicContact CD2-CG2 4.16Å
524	P	88.7	Confident	80.5	Confident	64 Å²	64	54.5 Å²	54.5	42%	0.416	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	140	168.9	27	-33.5	0	0	0	109	S526 Y553	P524-S526 PolarHBondContact O-N 3.15Å; P524-Y553 HydrophobicContact CB-CD2 4.47Å
525	I	81.8	Confident	78.2	Confident	16 Å²	16	57.8 Å²	57.8	8%	0.082	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-58.9	132	177.4	-90.2	-175	0	0	0	110.5	P497 T498 R500 L523 D529 L530	P497-I525 HydrophobicContact CB-CD1 3.42Å; P497-I525 VanDerWaalsContact CB-CD1 3.42Å; P497-I525 HydrophobicContact CG-CD1 3.31Å; T498-I525 PolarHBondContact O-N 2.82Å; R500-I525 HydrophobicContact CB-CD1 4.26Å; R500-I525 HydrophobicContact CB-CG1 3.55Å; L523-I525 PolarHBondContact O-N 3.37Å; I525-D529 HydrophobicContact CG2-CB 4.46Å; I525-L530 HydrophobicContact CG2-CD1 3.64Å; I525-L530 HydrophobicContact CG2-CD2 3.74Å; I525-L530 HydrophobicContact CG2-CG 3.34Å
526	S	74.6	Confident	75.5	Confident	41 Å²	41	62.1 Å²	62.1	29%	0.287	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-71.3	143.1	177.3	83.1	0	0	0	0	110.6	P524 S528 D529 L530	P524-S526 PolarHBondContact O-N 3.15Å; S526-S528 PolarHBondContact O-N 2.98Å; S526-D529 WeakPolarHBondContact O-CB 3.48Å; S526-D529 PolarHBondContact O-N 3.22Å; S526-D529 WeakPolarHBondContact OG-CB 3.23Å; S526-D529 PolarHBondContact OG-N 3.43Å; S526-D529 VanDerWaalsContact OG-N 3.1Å; S526-D529 PolarHBondContact OG-OD2 3.41Å; S526-L530 PolarHBondContact O-N 2.96Å
527	E	68.3	Low	72.9	Confident	50 Å²	50	64.8 Å²	64.8	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-53.3	-34.7	171.3	-69.6	-102.1	-171.1	0	0	111.8	D531 R778	E527-D531 WeakPolarHBondContact O-CB 3.41Å; E527-D531 PolarHBondContact O-N 2.84Å; E527-D531 VanDerWaalsContact O-N 3.08Å; E527-R778 IonicContact OE1-CZ 2.78Å; E527-R778 IonicContact OE1-NH1 3.69Å; E527-R778 PolarHBondContact OE1-NH1 3.01Å
528	S	67.5	Low	70.2	Confident	21 Å²	21	60.1 Å²	60.1	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-46.3	175.2	-52.1	0	0	0	0	111.8	S526 L530 D531 L532 R783	S526-S528 PolarHBondContact O-N 2.98Å; S528-L530 VanDerWaalsContact C-N 3.34Å; S528-D531 PolarHBondContact O-N 2.88Å; S528-L532 VanDerWaalsContact O-CG 3.27Å; S528-L532 WeakPolarHBondContact O-CG 3.21Å; S528-L532 PolarHBondContact O-N 3.04Å; S528-R783 PolarHBondContact OG-NH1 3.2Å; S528-R783 PolarHBondContact OG-NH2 2.86Å
529	D	67.7	Low	67.8	Low	31 Å²	31	65.6 Å²	65.6	17%	0.166	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-38.9	-176.4	-69.3	-38.6	0	0	0	111.7	R500 I525 S526 D531 L532 L533	R500-D529 VanDerWaalsContact NH1-CB 3.28Å; R500-D529 VanDerWaalsContact NH1-CG 3.28Å; R500-D529 IonicContact NH1-OD1 2.85Å; R500-D529 IonicContact NH1-OD2 3.24Å; I525-D529 HydrophobicContact CG2-CB 4.46Å; S526-D529 WeakPolarHBondContact O-CB 3.48Å; S526-D529 PolarHBondContact O-N 3.22Å; S526-D529 WeakPolarHBondContact OG-CB 3.23Å; S526-D529 PolarHBondContact OG-N 3.43Å; S526-D529 VanDerWaalsContact OG-N 3.1Å; S526-D529 PolarHBondContact OG-OD2 3.41Å; D529-D531 VanDerWaalsContact C-N 3.32Å; D529-L532 PolarHBondContact O-N 2.77Å; D529-L533 WeakPolarHBondContact O-CD1 3.5Å; D529-L533 PolarHBondContact O-N 3.42Å
530	L	64.6	Low	65.3	Low	20 Å²	20	68.4 Å²	68.4	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-41.3	174.2	-69.1	159.5	0	0	0	111.9	I525 S526 S528 L532 L533 R548	I525-L530 HydrophobicContact CG2-CD1 3.64Å; I525-L530 HydrophobicContact CG2-CD2 3.74Å; I525-L530 HydrophobicContact CG2-CG 3.34Å; S526-L530 PolarHBondContact O-N 2.96Å; S528-L530 VanDerWaalsContact C-N 3.34Å; L530-L532 VanDerWaalsContact C-N 3.27Å; L530-L532 PolarHBondContact O-N 3.37Å; L530-L533 PolarHBondContact O-N 3.17Å; L530-R548 VanDerWaalsContact CD1-NH2 3.33Å
531	D	60.8	Low	63	Low	13 Å²	13	71.4 Å²	71.4	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-69.7	-25.7	176.8	-87	-27.6	0	0	0	112.5	E527 S528 D529 K534 P543 R544 R783	E527-D531 WeakPolarHBondContact O-CB 3.41Å; E527-D531 PolarHBondContact O-N 2.84Å; E527-D531 VanDerWaalsContact O-N 3.08Å; S528-D531 PolarHBondContact O-N 2.88Å; D529-D531 VanDerWaalsContact C-N 3.32Å; D531-K534 WeakPolarHBondContact O-CB 3.36Å; D531-K534 IonicContact OD1-NZ 3.9Å; D531-K534 PolarHBondContact OD1-NZ 3.37Å; D531-P543 VanDerWaalsContact OD1-CG 3.24Å; D531-P543 WeakPolarHBondContact OD1-CG 3.22Å; D531-R544 IonicContact OD1-NE 3.27Å; D531-R544 IonicContact OD1-NH2 3.85Å; D531-R544 IonicContact OD2-CZ 3.98Å; D531-R544 VanDerWaalsContact OD2-CZ 3.27Å; D531-R544 IonicContact OD2-NE 2.67Å; D531-R544 PolarHBondContact OD2-NE 3.32Å; D531-R544 IonicContact OD2-NH2 2.89Å; D531-R544 PolarHBondContact OD2-NH2 3.14Å; D531-R783 HydrophobicContact CB-CB 4.09Å; D531-R783 HydrophobicContact CB-CG 4.02Å; D531-R783 WeakPolarHBondContact OD2-CB 3.35Å; D531-R783 WeakPolarHBondContact OD2-CG 3.24Å
532	L	61.6	Low	60.9	Low	69 Å²	69	71.1 Å²	71.1	36%	0.361	37%	0.37	S	S	.	.	H	α-helix	trans	-85.5	-22.2	175	-70.1	171.2	0	0	0	113.2	S528 D529 L530 K534 L784 V819	S528-L532 VanDerWaalsContact O-CG 3.27Å; S528-L532 WeakPolarHBondContact O-CG 3.21Å; S528-L532 PolarHBondContact O-N 3.04Å; D529-L532 PolarHBondContact O-N 2.77Å; L530-L532 VanDerWaalsContact C-N 3.27Å; L530-L532 PolarHBondContact O-N 3.37Å; L532-K534 PolarHBondContact O-N 3.13Å; L532-L784 HydrophobicContact CD2-CD2 3.51Å; L532-V819 HydrophobicContact CD2-CG2 4.35Å
533	L	58.6	Low	58.7	Low	96 Å²	96	72 Å²	72	50%	0.503	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	1.7	174.8	-115.6	93.8	0	0	0	114.1	D529 L530	D529-L533 WeakPolarHBondContact O-CD1 3.5Å; D529-L533 PolarHBondContact O-N 3.42Å; L530-L533 PolarHBondContact O-N 3.17Å
534	K	49.4	Very low	56.9	Low	61 Å²	61	70.4 Å²	70.4	27%	0.265	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	5.9	-156.8	-96	-175	174.7	160.5	0	118.2	D531 L532 H536 R537	D531-K534 WeakPolarHBondContact O-CB 3.36Å; D531-K534 IonicContact OD1-NZ 3.9Å; D531-K534 PolarHBondContact OD1-NZ 3.37Å; L532-K534 PolarHBondContact O-N 3.13Å; K534-H536 PolarHBondContact O-N 2.8Å; K534-R537 PolarHBondContact O-N 3.38Å
535	D	41.9	Very low	55.1	Low	149 Å²	149	71.5 Å²	71.5	80%	0.797	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-2.6	176.2	-79	-16.5	0	0	0	113.5
536	H	37.4	Very low	53.8	Low	172 Å²	172	73.6 Å²	73.6	80%	0.796	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	7	-177.6	-57.1	-43.8	0	0	0	117.5	K534	K534-H536 PolarHBondContact O-N 2.8Å
537	R	39.9	Very low	52.8	Low	88 Å²	88	76.5 Å²	76.5	33%	0.332	40%	0.402	S	S	.	.	S	Bend	trans	-113.1	139.6	177.5	-64.3	-168.8	-168.9	-161.8	0.1	112.7	I494 K534	I494-R537 PolarHBondContact O-NH2 3.09Å; K534-R537 PolarHBondContact O-N 3.38Å
538	S	38.6	Very low	52.6	Low	61 Å²	61	78.5 Å²	78.5	43%	0.427	41%	0.407	S	S	.	.			trans	-62.1	145.8	179.3	54.9	0	0	0	0	111.7	N540 E541	S538-N540 PolarHBondContact O-N 3.47Å; S538-E541 PolarHBondContact O-N 2.69Å; S538-E541 VanDerWaalsContact O-N 3.17Å
539	I	46.2	Very low	52.5	Low	162 Å²	162	80.5 Å²	80.5	83%	0.831	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-22.2	-178.4	-64.5	163.1	0	0	0	114.3
540	N	43.6	Very low	53.1	Low	133 Å²	133	85.5 Å²	85.5	71%	0.711	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.3	-173.1	-65.6	-7.6	0	0	0	115.5	S538	S538-N540 PolarHBondContact O-N 3.47Å
541	E	48.1	Very low	54	Low	88 Å²	88	85.6 Å²	85.6	41%	0.411	44%	0.439	S	S	.	.			trans	-98.8	99.8	177	-72	-172.7	172.6	0	0	110.4	S538 P543	S538-E541 PolarHBondContact O-N 2.69Å; S538-E541 VanDerWaalsContact O-N 3.17Å; E541-P543 WeakPolarHBondContact O-CD 3.38Å
542	N	52.1	Low	55.3	Low	72 Å²	72	85.3 Å²	85.3	39%	0.385	44%	0.439	S	S	.	.			trans	-72.6	106.2	165.8	-172.4	5.2	0	0	0	107.6	R544 S545	N542-R544 PolarHBondContact O-N 2.94Å; N542-R544 WeakPolarHBondContact OD1-CB 3.24Å; N542-R544 WeakPolarHBondContact OD1-CG 3.08Å; N542-R544 PolarHBondContact OD1-N 2.87Å; N542-S545 VanDerWaalsContact O-CB 3.31Å; N542-S545 WeakPolarHBondContact O-CB 3.48Å; N542-S545 PolarHBondContact O-N 3.23Å; N542-S545 PolarHBondContact O-OG 2.84Å
543	P	49.9	Very low	56.9	Low	20 Å²	20	82.1 Å²	82.1	13%	0.13	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-63.6	-18.4	-177.4	35.4	-43.5	0	0	0	111.7	D531 E541 S545 I546	D531-P543 VanDerWaalsContact OD1-CG 3.24Å; D531-P543 WeakPolarHBondContact OD1-CG 3.22Å; E541-P543 WeakPolarHBondContact O-CD 3.38Å; P543-S545 PolarHBondContact O-N 3.32Å; P543-I546 PolarHBondContact O-N 3.31Å
544	R	52.6	Low	58.4	Low	52 Å²	52	81.5 Å²	81.5	20%	0.196	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-73.7	-10.2	176.2	-52.5	-179.6	-162.4	126.6	13.2	112.4	D531 N542 D779	D531-R544 IonicContact OD1-NE 3.27Å; D531-R544 IonicContact OD1-NH2 3.85Å; D531-R544 IonicContact OD2-CZ 3.98Å; D531-R544 VanDerWaalsContact OD2-CZ 3.27Å; D531-R544 IonicContact OD2-NE 2.67Å; D531-R544 PolarHBondContact OD2-NE 3.32Å; D531-R544 IonicContact OD2-NH2 2.89Å; D531-R544 PolarHBondContact OD2-NH2 3.14Å; N542-R544 PolarHBondContact O-N 2.94Å; N542-R544 WeakPolarHBondContact OD1-CB 3.24Å; N542-R544 WeakPolarHBondContact OD1-CG 3.08Å; N542-R544 PolarHBondContact OD1-N 2.87Å; R544-D779 WeakPolarHBondContact CB-OD1 3.29Å; R544-D779 WeakPolarHBondContact CD-OD1 3.39Å
545	S	51.4	Low	60.4	Low	86 Å²	86	84.1 Å²	84.1	60%	0.601	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-77.2	-9.1	170	68	0	0	0	0	113.5	N542 P543 P547	N542-S545 VanDerWaalsContact O-CB 3.31Å; N542-S545 WeakPolarHBondContact O-CB 3.48Å; N542-S545 PolarHBondContact O-N 3.23Å; N542-S545 PolarHBondContact O-OG 2.84Å; P543-S545 PolarHBondContact O-N 3.32Å; S545-P547 WeakPolarHBondContact O-CD 3.45Å
546	I	54.5	Low	62.9	Low	60 Å²	60	79.6 Å²	79.6	31%	0.308	42%	0.418	S	S	.	.	S	Bend	trans	-88.5	104.5	178.6	-55.5	170.4	0	0	0	107.5	P543 R548	P543-I546 PolarHBondContact O-N 3.31Å; I546-R548 PolarHBondContact O-N 2.8Å
547	P	54.5	Low	65.6	Low	102 Å²	102	78.4 Å²	78.4	66%	0.662	41%	0.413	S	S	*	.			trans	-58.2	127.8	173.9	22.9	-31.2	0	0	0	109.1	S545	S545-P547 WeakPolarHBondContact O-CD 3.45Å
548	R	62.8	Low	68.3	Low	93 Å²	93	74.3 Å²	74.3	35%	0.351	40%	0.398	S	S	.	.			trans	-109.8	115.7	175.3	-68.9	-172.3	-178.9	-122.7	-14.6	108.5	S496 P497 L530 I546	S496-R548 PolarHBondContact OG-NH2 2.99Å; P497-R548 PolarHBondContact O-NH1 3.25Å; L530-R548 VanDerWaalsContact CD1-NH2 3.33Å; I546-R548 PolarHBondContact O-N 2.8Å
549	S	67.2	Low	71.1	Confident	62 Å²	62	74.8 Å²	74.8	43%	0.434	39%	0.394	S	S	.	.			trans	-62.7	138.4	170.2	52.6	0	0	0	0	110	I551	S549-I551 PolarHBondContact O-N 2.84Å
550	Y	78.4	Confident	73.5	Confident	137 Å²	137	67 Å²	67	54%	0.537	35%	0.354	S	S	.	.			trans	-60.8	128.3	167.2	179	-111.8	0	0	0	110.1	D555	Y550-D555 WeakPolarHBondContact CE1-OD2 3.35Å; Y550-D555 VanDerWaalsContact CZ-OD2 3.24Å; Y550-D555 PolarHBondContact OH-OD1 3.19Å; Y550-D555 PolarHBondContact OH-OD2 2.62Å
551	I	85.2	Confident	76.1	Confident	21 Å²	21	61.4 Å²	61.4	11%	0.108	33%	0.325	C	S	.	.			trans	-97.6	-27.5	-173.6	-60	176.5	0	0	0	112	P364 T498 S549 Y553	P364-I551 HydrophobicContact CB-CG2 4.5Å; P364-I551 WeakPolarHBondContact CB-O 3.22Å; P364-I551 HydrophobicContact CG-CG2 3.66Å; P364-I551 WeakPolarHBondContact CG-O 3.47Å; T498-I551 HydrophobicContact CG2-CD1 3.77Å; S549-I551 PolarHBondContact O-N 2.84Å; I551-Y553 HydrophobicContact CB-CD2 4.23Å; I551-Y553 HydrophobicContact CB-CE2 3.99Å; I551-Y553 HydrophobicContact CD1-CE2 3.91Å; I551-Y553 HydrophobicContact CG2-CD1 4.38Å; I551-Y553 HydrophobicContact CG2-CD2 4.11Å; I551-Y553 HydrophobicContact CG2-CE1 3.98Å; I551-Y553 HydrophobicContact CG2-CE2 3.7Å; I551-Y553 HydrophobicContact CG2-CG 4.42Å
552	G	88.4	Confident	78.4	Confident	7 Å²	7	57.3 Å²	57.3	7%	0.072	31%	0.306	C	S	.	.			trans	86.6	18.5	178.3	0	0	0	0	0	116.3	V554 D555 C556	G552-V554 VanDerWaalsContact C-N 3.25Å; G552-V554 PolarHBondContact O-N 2.88Å; G552-D555 PolarHBondContact O-N 2.88Å; G552-C556 WeakPolarHBondContact O-CB 3.49Å; G552-C556 PolarHBondContact O-N 2.78Å
553	Y	93.6	Very high	80.5	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.008	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.3	177.2	-65.2	-61.1	0	0	0	112.7	L363 P364 L435 D437 T498 I522 P524 I551 Q557 C558	L363-Y553 HydrophobicContact CD1-CE1 4.14Å; P364-Y553 VanDerWaalsContact CD-CD1 3.46Å; P364-Y553 HydrophobicContact CG-CD1 3.53Å; P364-Y553 HydrophobicContact CG-CE1 3.76Å; P364-Y553 HydrophobicContact CG-CG 4.24Å; L435-Y553 HydrophobicContact CD2-CE1 3.85Å; D437-Y553 PolarHBondContact OD1-OH 3.16Å; D437-Y553 PolarHBondContact OD2-OH 2.95Å; T498-Y553 WeakPolarHBondContact CB-OH 3.34Å; T498-Y553 PolarHBondContact OG1-OH 2.71Å; T498-Y553 VanDerWaalsContact OG1-OH 3.12Å; I522-Y553 HydrophobicContact CG2-CD1 3.92Å; I522-Y553 HydrophobicContact CG2-CD2 4.37Å; I522-Y553 HydrophobicContact CG2-CE1 4.17Å; I522-Y553 HydrophobicContact CG2-CG 4.05Å; I522-Y553 VanDerWaalsContact O-CB 3.31Å; I522-Y553 WeakPolarHBondContact O-CB 2.97Å; P524-Y553 HydrophobicContact CB-CD2 4.47Å; I551-Y553 HydrophobicContact CB-CD2 4.23Å; I551-Y553 HydrophobicContact CB-CE2 3.99Å; I551-Y553 HydrophobicContact CD1-CE2 3.91Å; I551-Y553 HydrophobicContact CG2-CD1 4.38Å; I551-Y553 HydrophobicContact CG2-CD2 4.11Å; I551-Y553 HydrophobicContact CG2-CE1 3.98Å; I551-Y553 HydrophobicContact CG2-CE2 3.7Å; I551-Y553 HydrophobicContact CG2-CG 4.42Å; Y553-Q557 PolarHBondContact O-N 2.76Å; Y553-C558 HydrophobicContact CD1-CB 3.98Å; Y553-C558 VanDerWaalsContact O-CB 3.31Å; Y553-C558 WeakPolarHBondContact O-CB 3.33Å; Y553-C558 PolarHBondContact O-N 3.44Å
554	V	91.1	Very high	82.7	Confident	83 Å²	83	53.9 Å²	53.9	50%	0.503	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-47.3	-178.6	-178.4	0	0	0	0	110.9	L523 G552 C556 Q557	L523-V554 HydrophobicContact CD2-CG2 4.16Å; G552-V554 VanDerWaalsContact C-N 3.25Å; G552-V554 PolarHBondContact O-N 2.88Å; V554-C556 VanDerWaalsContact C-N 3.29Å; V554-C556 PolarHBondContact O-N 2.83Å; V554-Q557 PolarHBondContact O-N 3.4Å
555	D	91.2	Very high	84.8	Confident	117 Å²	117	51.4 Å²	51.4	63%	0.626	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-36.5	-179.4	-62.7	-23.5	0	0	0	112.3	Y550 G552 Q557	Y550-D555 WeakPolarHBondContact CE1-OD2 3.35Å; Y550-D555 VanDerWaalsContact CZ-OD2 3.24Å; Y550-D555 PolarHBondContact OH-OD1 3.19Å; Y550-D555 PolarHBondContact OH-OD2 2.62Å; G552-D555 PolarHBondContact O-N 2.88Å; D555-Q557 PolarHBondContact O-N 3.36Å
556	C	93.1	Very high	86.7	Confident	53 Å²	53	47.5 Å²	47.5	36%	0.358	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.6	176.6	-70.8	0	0	0	0	113	N362 P364 G552 V554 C558	N362-C556 HydrophobicContact CB-CB 4.36Å; N362-C556 WeakPolarHBondContact CB-O 3.13Å; N362-C556 PolarHBondContact ND2-O 3.45Å; N362-C556 WeakPolarHBondContact O-CB 3.43Å; P364-C556 HydrophobicContact CB-CB 4.37Å; G552-C556 WeakPolarHBondContact O-CB 3.49Å; G552-C556 PolarHBondContact O-N 2.78Å; V554-C556 VanDerWaalsContact C-N 3.29Å; V554-C556 PolarHBondContact O-N 2.83Å; C556-C558 PolarHBondContact O-N 2.89Å
557	Q	95	Very high	88.4	Confident	148 Å²	148	46 Å²	46	69%	0.692	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	47.7	-171.6	-58.3	-179	-36.6	0	0	110.8	Y553 V554 D555 E559	Y553-Q557 PolarHBondContact O-N 2.76Å; V554-Q557 PolarHBondContact O-N 3.4Å; D555-Q557 PolarHBondContact O-N 3.36Å; Q557-E559 PolarHBondContact O-N 3.26Å
558	C	96.6	Very high	90.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	21%	0.212	C	C	.	.			trans	-69.2	123.1	-178.6	-169.3	0	0	0	0	109.2	H361 N362 I522 Y553 C556	H361-C558 WeakPolarHBondContact O-CA 3.28Å; H361-C558 PolarHBondContact O-SG 2.86Å; N362-C558 WeakPolarHBondContact O-CB 3.24Å; N362-C558 PolarHBondContact O-SG 2.9Å; I522-C558 HydrophobicContact CB-CB 4.39Å; I522-C558 VanDerWaalsContact CD1-SG 3.57Å; I522-C558 PolarHBondContact N-O 3.44Å; Y553-C558 HydrophobicContact CD1-CB 3.98Å; Y553-C558 VanDerWaalsContact O-CB 3.31Å; Y553-C558 WeakPolarHBondContact O-CB 3.33Å; Y553-C558 PolarHBondContact O-N 3.44Å; C556-C558 PolarHBondContact O-N 2.89Å
559	E	97.3	Very high	91.2	Very high	70 Å²	70	40.9 Å²	40.9	33%	0.327	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.5	-171.9	62.7	177.8	-165.3	0	0	111.8	L360 H361 T519 L520 Q557	L360-E559 CarbonylContact C-O 3.58Å; L360-E559 WeakPolarHBondContact CA-O 3.1Å; H361-E559 HydrophobicContact CB-CG 3.63Å; H361-E559 IonicContact CD2-OE1 2.81Å; H361-E559 PolarHBondContact N-O 3.45Å; H361-E559 PolarHBondContact O-N 3.05Å; T519-E559 HydrophobicContact CG2-CB 3.83Å; T519-E559 HydrophobicContact CG2-CG 3.8Å; T519-E559 WeakPolarHBondContact CG2-OE2 3.16Å; L520-E559 CarbonylContact O-C 3.57Å; L520-E559 VanDerWaalsContact O-CA 3.28Å; L520-E559 WeakPolarHBondContact O-CA 3.05Å; Q557-E559 PolarHBondContact O-N 3.26Å
560	I	97.2	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.7	178.1	-161.6	169.3	0	0	0	110.1	I357 R359 L383 I501 T519 L520 I522 I562	I357-I560 HydrophobicContact CG2-CD1 3.52Å; I357-I560 HydrophobicContact CG2-CG1 3.74Å; R359-I560 WeakPolarHBondContact O-CA 3.38Å; L383-I560 HydrophobicContact CD1-CD1 4.25Å; I501-I560 HydrophobicContact CB-CG2 4.44Å; I501-I560 HydrophobicContact CD1-CD1 4.29Å; I501-I560 HydrophobicContact CD1-CG2 4.32Å; I501-I560 HydrophobicContact CG1-CG2 3.85Å; I501-I560 HydrophobicContact CG2-CG2 3.9Å; T519-I560 CarbonylContact C-O 3.48Å; T519-I560 VanDerWaalsContact CA-O 3.31Å; T519-I560 WeakPolarHBondContact CA-O 3.48Å; L520-I560 HydrophobicContact CB-CG2 4.18Å; L520-I560 PolarHBondContact N-O 3.09Å; L520-I560 PolarHBondContact O-N 3.25Å; I522-I560 HydrophobicContact CD1-CB 4.36Å; I522-I560 HydrophobicContact CG1-CB 4.46Å; I560-I562 HydrophobicContact CD1-CD1 4.48Å; I560-I562 HydrophobicContact CG1-CG1 4.23Å; I560-I562 HydrophobicContact CG2-CD1 3.82Å; I560-I562 HydrophobicContact CG2-CG1 4.09Å
561	S	97.2	Very high	92.2	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.1	174.8	-58.7	0	0	0	0	110.3	D358 R359	D358-S561 PolarHBondContact N-O 3.47Å; R359-S561 PolarHBondContact O-N 3.38Å
562	I	96.9	Very high	92	Very high	3 Å²	3	39 Å²	39	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.2	-176.4	-55	175.8	0	0	0	109.7	T356 I357 I433 R518 L520 I560 I564	T356-I562 CarbonylContact O-C 3.57Å; T356-I562 WeakPolarHBondContact O-CA 3.22Å; I357-I562 HydrophobicContact CG1-CG1 4.41Å; I357-I562 HydrophobicContact CG2-CG1 4.44Å; I433-I562 HydrophobicContact CD1-CD1 3.47Å; I433-I562 VanDerWaalsContact CD1-CD1 3.47Å; R518-I562 PolarHBondContact N-O 3.24Å; R518-I562 PolarHBondContact O-N 2.86Å; R518-I562 VanDerWaalsContact O-O 3.14Å; L520-I562 HydrophobicContact CD1-CD1 4.48Å; I560-I562 HydrophobicContact CD1-CD1 4.48Å; I560-I562 HydrophobicContact CG1-CG1 4.23Å; I560-I562 HydrophobicContact CG2-CD1 3.82Å; I560-I562 HydrophobicContact CG2-CG1 4.09Å; I562-I564 HydrophobicContact CG2-CG1 4.26Å
563	E	96.5	Very high	91.6	Very high	19 Å²	19	39 Å²	39	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.7	168.3	176.4	178.7	97.6	0	0	109.3	R291 T356 K515 K517	R291-E563 IonicContact CZ-OE1 3.37Å; R291-E563 IonicContact NH2-OE1 2.95Å; R291-E563 PolarHBondContact NH2-OE1 3.31Å; T356-E563 PolarHBondContact N-O 3.38Å; T356-E563 PolarHBondContact O-N 2.91Å; K515-E563 WeakPolarHBondContact CE-OE1 3.43Å; K515-E563 WeakPolarHBondContact CE-OE2 3.31Å; K515-E563 HydrophobicContact CG-CG 4.4Å; K515-E563 IonicContact NZ-OE1 3.7Å; K515-E563 PolarHBondContact NZ-OE1 2.92Å; K515-E563 IonicContact NZ-OE2 2.72Å; K515-E563 PolarHBondContact NZ-OE2 3.05Å; K517-E563 WeakPolarHBondContact CE-OE2 3.42Å; K517-E563 HydrophobicContact CG-CB 4.02Å; K517-E563 HydrophobicContact CG-CG 4.01Å; K517-E563 IonicContact NZ-OE2 3.94Å
564	I	96.1	Very high	90.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.1	-177.4	-51.6	158.8	0	0	0	107	I354 L355 L503 L505 I508 K515 M516 I562	I354-I564 CarbonylContact O-C 3.58Å; I354-I564 WeakPolarHBondContact O-CA 3.47Å; L355-I564 HydrophobicContact CD2-CB 4.45Å; L355-I564 HydrophobicContact CD2-CG1 4.1Å; L355-I564 HydrophobicContact CD2-CG2 4.06Å; L503-I564 HydrophobicContact CD1-CD1 3.45Å; L503-I564 VanDerWaalsContact CD1-CD1 3.45Å; L503-I564 HydrophobicContact CD1-CG1 4.41Å; L503-I564 HydrophobicContact CD2-CD1 3.88Å; L503-I564 HydrophobicContact CD2-CG1 4.02Å; L503-I564 HydrophobicContact CG-CD1 4.18Å; L505-I564 HydrophobicContact CD2-CD1 4.41Å; L505-I564 HydrophobicContact CD2-CG2 4.17Å; I508-I564 HydrophobicContact CD1-CB 4.39Å; I508-I564 HydrophobicContact CD1-CG2 4.03Å; K515-I564 CarbonylContact C-O 3.57Å; K515-I564 VanDerWaalsContact CA-O 3.23Å; K515-I564 WeakPolarHBondContact CA-O 3.36Å; M516-I564 PolarHBondContact N-O 2.89Å; M516-I564 PolarHBondContact O-N 2.85Å; I562-I564 HydrophobicContact CG2-CG1 4.26Å
565	E	95.8	Very high	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.5	166.9	-53	-179.1	-179.9	0	0	107.9	R291 I292 I353 I354 V514 K515	R291-E565 IonicContact NE-OE1 2.77Å; R291-E565 IonicContact NH2-OE1 3.29Å; I292-E565 HydrophobicContact CD1-CB 4.34Å; I292-E565 PolarHBondContact N-OE2 2.93Å; I353-E565 CarbonylContact C-O 3.57Å; I353-E565 WeakPolarHBondContact CA-O 3.45Å; I354-E565 HydrophobicContact CB-CB 4.17Å; I354-E565 PolarHBondContact N-O 3.28Å; I354-E565 PolarHBondContact O-N 2.93Å; V514-E565 CarbonylContact O-C 3.54Å; V514-E565 WeakPolarHBondContact O-CA 3.48Å; K515-E565 HydrophobicContact CD-CG 4.07Å; K515-E565 HydrophobicContact CG-CG 4.1Å; K515-E565 IonicContact NZ-OE1 2.81Å; K515-E565 PolarHBondContact NZ-OE1 3.38Å
566	M	92.8	Very high	89	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105.3	-176.8	-173.1	176.8	178.7	0	0	109.1	I353 V426 I508 V514 I568 M570	I353-M566 HydrophobicContact CG1-CG 4.3Å; V426-M566 HydrophobicContact CB-CE 4.15Å; V426-M566 HydrophobicContact CG1-CE 3.47Å; V426-M566 VanDerWaalsContact CG1-CE 3.47Å; V426-M566 HydrophobicContact CG1-SD 4.14Å; V426-M566 HydrophobicContact CG2-CE 3.93Å; I508-M566 HydrophobicContact CD1-CB 4.11Å; I508-M566 HydrophobicContact CG2-SD 3.48Å; I508-M566 WeakPolarHBondContact CG2-SD 3.27Å; V514-M566 PolarHBondContact O-N 3.21Å; M566-I568 VanDerWaalsContact C-N 3.29Å; M566-I568 HydrophobicContact CE-CB 3.96Å; M566-I568 HydrophobicContact CE-CD1 3.27Å; M566-I568 HydrophobicContact CE-CG1 4.14Å; M566-I568 HydrophobicContact CE-CG2 4.45Å; M566-I568 HydrophobicContact CG-CB 4.29Å; M566-I568 HydrophobicContact CG-CD1 4Å; M566-I568 HydrophobicContact CG-CG1 4.34Å; M566-I568 PolarHBondContact O-N 3.43Å; M566-I568 HydrophobicContact SD-CD1 4.48Å; M566-M570 HydrophobicContact CE-CE 3.79Å; M566-M570 HydrophobicContact CE-SD 3.6Å; M566-M570 VanDerWaalsContact CE-SD 3.6Å; M566-M570 HydrophobicContact SD-CE 4.12Å; M566-M570 HydrophobicContact SD-SD 4.07Å
567	N	90.6	Very high	87.3	Confident	28 Å²	28	43.2 Å²	43.2	15%	0.15	21%	0.213	C	C	.	.			trans	-95.7	34.3	-177.4	-71.1	95.7	0	0	0	112.8	I292 R347 Q351 P352	I292-N567 WeakPolarHBondContact CD1-ND2 3.32Å; I292-N567 WeakPolarHBondContact CG1-ND2 3.44Å; I292-N567 WeakPolarHBondContact CG1-OD1 3.34Å; R347-N567 HydrophobicContact CG-CB 4.22Å; Q351-N567 WeakPolarHBondContact CA-O 3.21Å; P352-N567 HydrophobicContact CG-CB 3.95Å; P352-N567 PolarHBondContact O-N 3.2Å
568	I	89.2	Confident	85.3	Confident	10 Å²	10	38.9 Å²	38.9	5%	0.051	20%	0.197	C	C	.	.	S	Bend	trans	-92.1	136.7	175.5	-66.3	158.5	0	0	0	108.4	Q351 I353 T414 L422 M566 M570 L573	Q351-I568 HydrophobicContact CB-CG1 3.81Å; I353-I568 HydrophobicContact CD1-CD1 3.81Å; I353-I568 HydrophobicContact CG1-CD1 3.78Å; T414-I568 HydrophobicContact CG2-CD1 4.36Å; L422-I568 HydrophobicContact CD1-CD1 4.25Å; L422-I568 HydrophobicContact CD2-CD1 4.05Å; L422-I568 HydrophobicContact CD2-CG1 4.38Å; L422-I568 HydrophobicContact CG-CD1 4.43Å; M566-I568 VanDerWaalsContact C-N 3.29Å; M566-I568 HydrophobicContact CE-CB 3.96Å; M566-I568 HydrophobicContact CE-CD1 3.27Å; M566-I568 HydrophobicContact CE-CG1 4.14Å; M566-I568 HydrophobicContact CE-CG2 4.45Å; M566-I568 HydrophobicContact CG-CB 4.29Å; M566-I568 HydrophobicContact CG-CD1 4Å; M566-I568 HydrophobicContact CG-CG1 4.34Å; M566-I568 PolarHBondContact O-N 3.43Å; M566-I568 HydrophobicContact SD-CD1 4.48Å; I568-M570 VanDerWaalsContact C-N 3.33Å; I568-M570 HydrophobicContact CB-SD 4.09Å; I568-M570 HydrophobicContact CG2-SD 4.09Å; I568-M570 WeakPolarHBondContact O-CG 3.43Å; I568-M570 PolarHBondContact O-N 3.41Å; I568-L573 HydrophobicContact CG2-CB 4.18Å; I568-L573 HydrophobicContact CG2-CD1 4.21Å; I568-L573 HydrophobicContact CG2-CD2 3.98Å; I568-L573 HydrophobicContact CG2-CG 4.35Å
569	N	86.8	Confident	82.9	Confident	78 Å²	78	44.4 Å²	44.4	42%	0.417	23%	0.225	S	C	.	.			trans	-69.4	92.9	173.6	-174.6	-31.6	0	0	0	109.5	N571 R572 L573	N569-N571 VanDerWaalsContact C-N 3.3Å; N569-N571 PolarHBondContact O-N 2.82Å; N569-N571 PolarHBondContact OD1-N 2.68Å; N569-R572 HydrophobicContact CB-CB 3.96Å; N569-R572 PolarHBondContact O-N 2.8Å; N569-R572 WeakPolarHBondContact OD1-CB 3.48Å; N569-R572 PolarHBondContact OD1-N 2.98Å; N569-L573 WeakPolarHBondContact O-CB 3.46Å; N569-L573 PolarHBondContact O-N 3.25Å
570	M	82.8	Confident	80.5	Confident	18 Å²	18	46.1 Å²	46.1	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-35.7	-173.7	-59.1	-50.6	-80.4	0	0	113.1	I509 M566 I568 L573 L574	I509-M570 VanDerWaalsContact CA-CE 3.44Å; I509-M570 HydrophobicContact CB-CE 3.52Å; I509-M570 HydrophobicContact CD1-CE 4.23Å; I509-M570 HydrophobicContact CG1-CE 3.4Å; I509-M570 VanDerWaalsContact CG1-CE 3.4Å; I509-M570 HydrophobicContact CG2-CE 3.45Å; I509-M570 VanDerWaalsContact CG2-CE 3.45Å; M566-M570 HydrophobicContact CE-CE 3.79Å; M566-M570 HydrophobicContact CE-SD 3.6Å; M566-M570 VanDerWaalsContact CE-SD 3.6Å; M566-M570 HydrophobicContact SD-CE 4.12Å; M566-M570 HydrophobicContact SD-SD 4.07Å; I568-M570 VanDerWaalsContact C-N 3.33Å; I568-M570 HydrophobicContact CB-SD 4.09Å; I568-M570 HydrophobicContact CG2-SD 4.09Å; I568-M570 WeakPolarHBondContact O-CG 3.43Å; I568-M570 PolarHBondContact O-N 3.41Å; M570-L573 HydrophobicContact SD-CD2 4.44Å; M570-L574 WeakPolarHBondContact O-CB 3.4Å; M570-L574 WeakPolarHBondContact O-CD1 3.27Å; M570-L574 WeakPolarHBondContact O-CG 3.4Å; M570-L574 PolarHBondContact O-N 3.3Å
571	N	82.4	Confident	78.1	Confident	81 Å²	81	54 Å²	54	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-46.6	177.1	-69.9	-33	0	0	0	109.9	K512 N569 L574 Q575	K512-N571 PolarHBondContact NZ-OD1 2.83Å; N569-N571 VanDerWaalsContact C-N 3.3Å; N569-N571 PolarHBondContact O-N 2.82Å; N569-N571 PolarHBondContact OD1-N 2.68Å; N571-L574 PolarHBondContact O-N 3.3Å; N571-Q575 WeakPolarHBondContact O-CB 3.22Å; N571-Q575 WeakPolarHBondContact O-CG 3.25Å; N571-Q575 PolarHBondContact O-N 2.72Å
572	R	80.5	Confident	75.5	Confident	81 Å²	81	58.9 Å²	58.9	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-46.9	177	-170.1	177.4	-177.2	167.5	0.3	112	I19 Y20 N569 L574 Q575 I576	I19-R572 PolarHBondContact O-NH2 3.3Å; Y20-R572 PolarHBondContact OH-NH1 3.01Å; N569-R572 HydrophobicContact CB-CB 3.96Å; N569-R572 PolarHBondContact O-N 2.8Å; N569-R572 WeakPolarHBondContact OD1-CB 3.48Å; N569-R572 PolarHBondContact OD1-N 2.98Å; R572-L574 PolarHBondContact O-N 3.14Å; R572-Q575 CarbonylContact O-C 3.54Å; R572-Q575 PolarHBondContact O-N 3.27Å; R572-I576 VanDerWaalsContact O-CG1 3.28Å; R572-I576 WeakPolarHBondContact O-CG1 3.38Å; R572-I576 PolarHBondContact O-N 3.1Å
573	L	81.1	Confident	73.4	Confident	7 Å²	7	60 Å²	60	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-55.6	-40.6	178	-168.3	77.1	0	0	0	111.6	L422 R423 I568 N569 M570 I576	L422-L573 HydrophobicContact CB-CD1 4.41Å; L422-L573 HydrophobicContact CD2-CD1 4.17Å; L422-L573 HydrophobicContact CG-CD1 4.18Å; R423-L573 HydrophobicContact CB-CD1 4.05Å; R423-L573 HydrophobicContact CB-CD2 4.48Å; R423-L573 HydrophobicContact CB-CG 4.02Å; R423-L573 WeakPolarHBondContact CD-O 3.41Å; R423-L573 HydrophobicContact CG-CG 4.42Å; I568-L573 HydrophobicContact CG2-CB 4.18Å; I568-L573 HydrophobicContact CG2-CD1 4.21Å; I568-L573 HydrophobicContact CG2-CD2 3.98Å; I568-L573 HydrophobicContact CG2-CG 4.35Å; N569-L573 WeakPolarHBondContact O-CB 3.46Å; N569-L573 PolarHBondContact O-N 3.25Å; M570-L573 HydrophobicContact SD-CD2 4.44Å; L573-I576 HydrophobicContact CD1-CD1 4.29Å
574	L	77.8	Confident	72	Confident	59 Å²	59	62.2 Å²	62.2	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-79.8	-25.8	178	-65.5	172.4	0	0	0	113.3	Q427 I509 M570 N571 R572	Q427-L574 VanDerWaalsContact NE2-CD2 3.34Å; I509-L574 HydrophobicContact CG2-CD2 4.3Å; M570-L574 WeakPolarHBondContact O-CB 3.4Å; M570-L574 WeakPolarHBondContact O-CD1 3.27Å; M570-L574 WeakPolarHBondContact O-CG 3.4Å; M570-L574 PolarHBondContact O-N 3.3Å; N571-L574 PolarHBondContact O-N 3.3Å; R572-L574 PolarHBondContact O-N 3.14Å
575	Q	76.4	Confident	71.2	Confident	131 Å²	131	62.9 Å²	62.9	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-87.5	-3.1	177.2	-76.6	173.9	-0.4	0	0	113.7	N571 R572 N577	N571-Q575 WeakPolarHBondContact O-CB 3.22Å; N571-Q575 WeakPolarHBondContact O-CG 3.25Å; N571-Q575 PolarHBondContact O-N 2.72Å; R572-Q575 CarbonylContact O-C 3.54Å; R572-Q575 PolarHBondContact O-N 3.27Å; Q575-N577 VanDerWaalsContact C-N 3.26Å; Q575-N577 PolarHBondContact O-N 2.58Å; Q575-N577 PolarHBondContact O-OD1 3.32Å; Q575-N577 VanDerWaalsContact O-OD1 3.13Å
576	I	67.6	Low	70.6	Confident	46 Å²	46	63.2 Å²	63.2	24%	0.236	33%	0.331	C	S	.	.			trans	-54.3	100.8	172.2	-57.7	179.1	0	0	0	106.4	L420 R423 R572 L573 T578	L420-I576 HydrophobicContact CD2-CB 4.32Å; L420-I576 HydrophobicContact CD2-CG2 3.56Å; L420-I576 HydrophobicContact CG-CG2 4.03Å; R423-I576 PolarHBondContact NH1-O 3.42Å; R572-I576 VanDerWaalsContact O-CG1 3.28Å; R572-I576 WeakPolarHBondContact O-CG1 3.38Å; R572-I576 PolarHBondContact O-N 3.1Å; L573-I576 HydrophobicContact CD1-CD1 4.29Å; I576-T578 PolarHBondContact O-N 3.23Å
577	N	56.6	Low	70.4	Confident	109 Å²	109	63.7 Å²	63.7	58%	0.583	33%	0.333	S	S	*	.			trans	-68.6	126.4	-173.4	-75.7	-29	0	0	0	105.9	Q575 L579	Q575-N577 VanDerWaalsContact C-N 3.26Å; Q575-N577 PolarHBondContact O-N 2.58Å; Q575-N577 PolarHBondContact O-OD1 3.32Å; Q575-N577 VanDerWaalsContact O-OD1 3.13Å; N577-L579 HydrophobicContact CB-CD1 4.14Å; N577-L579 PolarHBondContact O-N 3.02Å
578	T	53.9	Low	70.2	Confident	57 Å²	57	62.6 Å²	62.6	35%	0.35	33%	0.327	S	S	.	.			trans	-70.4	60.3	163	51.2	0	0	0	0	108.8	I576 T585 L744	I576-T578 PolarHBondContact O-N 3.23Å; T578-T585 HydrophobicContact CG2-CG2 4.32Å; T578-L744 HydrophobicContact CG2-CD1 3.16Å; T578-L744 HydrophobicContact CG2-CG 4.43Å
579	L	44.9	Very low	70.3	Confident	117 Å²	117	62.1 Å²	62.1	61%	0.613	32%	0.324	S	S	*	.			trans	-65.7	125.4	169.8	-124.9	82.7	0	0	0	106.3	N577 E581	N577-L579 HydrophobicContact CB-CD1 4.14Å; N577-L579 PolarHBondContact O-N 3.02Å; L579-E581 PolarHBondContact O-N 2.97Å
580	P	47.7	Very low	70.4	Confident	106 Å²	106	58.4 Å²	58.4	69%	0.688	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.2	-159.9	25.1	-33.7	0	0	0	114.8
581	E	46.9	Very low	70.8	Confident	166 Å²	166	57.6 Å²	57.6	78%	0.776	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-31.2	-165.1	-68	-173.5	163	0	0	114	L579	L579-E581 PolarHBondContact O-N 2.97Å
582	N	42.7	Very low	71.2	Confident	116 Å²	116	53.8 Å²	53.8	62%	0.62	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	-6	-171.7	-72.9	-21.8	0	0	0	117.1
583	A	53.4	Low	71.7	Confident	28 Å²	28	49.9 Å²	49.9	23%	0.231	27%	0.265	C	S	.	.			trans	-115	108.8	-177.8	0	0	0	0	0	113	L420 T585	L420-A583 HydrophobicContact CD1-CB 3.48Å; L420-A583 VanDerWaalsContact CD1-CB 3.48Å; A583-T585 VanDerWaalsContact C-N 3.33Å; A583-T585 PolarHBondContact O-N 2.82Å
584	Q	65.9	Low	72.1	Confident	64 Å²	64	51.2 Å²	51.2	30%	0.299	27%	0.271	S	S	.	.			trans	-64.6	87.9	171.7	-90.1	177.6	-16.5	0	0	110.6	N677	Q584-N677 PolarHBondContact NE2-OD1 3.15Å
585	T	78.7	Confident	72.5	Confident	15 Å²	15	51.6 Å²	51.6	9%	0.092	27%	0.27	C	S	.	.			trans	-107.5	128.3	171.1	53.7	0	0	0	0	109.4	L420 T578 A583 D698 L744	L420-T585 HydrophobicContact CD1-CG2 3.73Å; L420-T585 HydrophobicContact CD2-CG2 3.85Å; L420-T585 HydrophobicContact CG-CG2 4.3Å; T578-T585 HydrophobicContact CG2-CG2 4.32Å; A583-T585 VanDerWaalsContact C-N 3.33Å; A583-T585 PolarHBondContact O-N 2.82Å; T585-D698 VanDerWaalsContact O-CA 3.3Å; T585-D698 WeakPolarHBondContact O-CA 3.25Å; T585-L744 HydrophobicContact CG2-CB 4.45Å; T585-L744 HydrophobicContact CG2-CD1 4.33Å
586	I	85	Confident	72.6	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.041	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-102.3	125.6	-174.3	-61.5	166.7	0	0	0	108.6	R588 E696 T697 D698 F745 K747 R748	I586-R588 HydrophobicContact CG2-CG 4.45Å; I586-E696 HydrophobicContact CG2-CB 3.72Å; I586-E696 HydrophobicContact CG2-CG 4.19Å; I586-T697 CarbonylContact C-O 3.54Å; I586-T697 WeakPolarHBondContact CA-O 3.28Å; I586-D698 HydrophobicContact CG1-CB 4.27Å; I586-F745 HydrophobicContact CB-CB 4.27Å; I586-F745 WeakPolarHBondContact CB-O 3.37Å; I586-F745 PolarHBondContact N-O 3.22Å; I586-F745 WeakPolarHBondContact O-CD2 3.39Å; I586-F745 PolarHBondContact O-N 2.82Å; I586-K747 VanDerWaalsContact CD1-C 3.44Å; I586-R748 VanDerWaalsContact CD1-CA 3.47Å; I586-R748 HydrophobicContact CD1-CB 3.6Å; I586-R748 HydrophobicContact CD1-CG 4.31Å
587	E	87.5	Confident	72.7	Confident	13 Å²	13	52.1 Å²	52.1	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.9	168.5	-65	-171.3	-178.2	0	0	109.9	E696 T697 H700 S703 K739 L744	E587-E696 CarbonylContact O-C 3.5Å; E587-E696 WeakPolarHBondContact O-CA 2.92Å; E587-T697 HydrophobicContact CB-CG2 4.4Å; E587-T697 PolarHBondContact N-O 2.96Å; E587-T697 PolarHBondContact O-N 3.03Å; E587-H700 IonicContact OE1-CE1 3.98Å; E587-H700 PolarHBondContact OE1-CE1 3.27Å; E587-H700 IonicContact OE1-CG 2.9Å; E587-H700 IonicContact OE1-ND1 3.89Å; E587-H700 PolarHBondContact OE1-ND1 2.85Å; E587-H700 IonicContact OE2-ND1 3.26Å; E587-S703 WeakPolarHBondContact OE2-CB 3.43Å; E587-S703 PolarHBondContact OE2-OG 2.91Å; E587-K739 WeakPolarHBondContact OE2-CE 3.39Å; E587-K739 IonicContact OE2-NZ 2.68Å; E587-K739 PolarHBondContact OE2-NZ 3.37Å; E587-L744 HydrophobicContact CG-CD2 3.73Å
588	R	87.6	Confident	73.1	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.019	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.5	174.9	-61.5	-175.8	-171.6	140.1	0.5	110.5	I586 L695 E696 F745 K747 L749 H814 L817	I586-R588 HydrophobicContact CG2-CG 4.45Å; R588-L695 WeakPolarHBondContact CA-O 2.71Å; R588-E696 HydrophobicContact CG-CB 3.9Å; R588-E696 IonicContact NE-OE2 2.88Å; R588-F745 HydrophobicContact CB-CD2 4.34Å; R588-F745 HydrophobicContact CB-CE2 3.92Å; R588-F745 HydrophobicContact CG-CD2 3.63Å; R588-F745 HydrophobicContact CG-CE2 3.66Å; R588-K747 PolarHBondContact NH2-O 3.01Å; R588-L749 VanDerWaalsContact CZ-CD1 3.44Å; R588-H814 PolarHBondContact NH1-ND1 3.06Å; R588-L817 HydrophobicContact CB-CD1 4.26Å; R588-L817 HydrophobicContact CG-CD1 4.46Å
589	M	89.5	Confident	73.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.8	-178.4	-71.9	170.9	-85.6	0	0	109.3	F591 I694 L695 T697 S703 L706 F737 K739	M589-F591 HydrophobicContact CB-CE2 3.82Å; M589-F591 HydrophobicContact CB-CZ 4.18Å; M589-F591 HydrophobicContact SD-CZ 4.42Å; M589-I694 WeakPolarHBondContact O-CA 3.29Å; M589-L695 HydrophobicContact CB-CB 4.49Å; M589-L695 PolarHBondContact N-O 3.23Å; M589-L695 PolarHBondContact O-N 2.66Å; M589-T697 HydrophobicContact CE-CG2 3.58Å; M589-S703 WeakPolarHBondContact CE-OG 3.47Å; M589-L706 HydrophobicContact CE-CD1 3.72Å; M589-L706 HydrophobicContact SD-CB 4.14Å; M589-L706 HydrophobicContact SD-CD1 4.25Å; M589-F737 HydrophobicContact CB-CE2 4.02Å; M589-F737 HydrophobicContact CG-CE2 3.93Å; M589-F737 HydrophobicContact CG-CZ 4.22Å; M589-F737 HydrophobicContact SD-CE2 4.26Å; M589-F737 HydrophobicContact SD-CZ 4.37Å; M589-K739 HydrophobicContact CG-CB 4.27Å; M589-K739 HydrophobicContact CG-CD 3.94Å; M589-K739 HydrophobicContact CG-CG 4Å; M589-K739 HydrophobicContact SD-CD 4.35Å
590	V	90.1	Very high	75.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.8	177.4	-173.8	0	0	0	0	109.6	I592 L692 I693 I694 F737 L738 L795 L817	V590-I592 HydrophobicContact CG1-CG1 4.34Å; V590-L692 HydrophobicContact CG1-CD1 3.59Å; V590-I693 WeakPolarHBondContact CA-O 3.32Å; V590-I694 HydrophobicContact CG1-CG1 4.12Å; V590-I694 HydrophobicContact CG2-CD1 4.45Å; V590-I694 HydrophobicContact CG2-CG1 4.27Å; V590-I694 HydrophobicContact CG2-CG2 4.34Å; V590-F737 WeakPolarHBondContact O-CA 3.47Å; V590-L738 HydrophobicContact CB-CB 4.21Å; V590-L738 HydrophobicContact CB-CD1 4.48Å; V590-L738 PolarHBondContact N-O 2.83Å; V590-L738 PolarHBondContact O-N 3.34Å; V590-L795 HydrophobicContact CG1-CD1 4.25Å; V590-L795 HydrophobicContact CG1-CD2 3.61Å; V590-L795 HydrophobicContact CG1-CG 4.43Å; V590-L817 HydrophobicContact CG2-CD2 4.46Å
591	F	91.3	Very high	76.8	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	176.4	-50.7	-96.6	0	0	0	108.6	M589 I613 L692 I693 L695 F710 K736 F737	M589-F591 HydrophobicContact CB-CE2 3.82Å; M589-F591 HydrophobicContact CB-CZ 4.18Å; M589-F591 HydrophobicContact SD-CZ 4.42Å; F591-I613 HydrophobicContact CD1-CD1 4.18Å; F591-I613 HydrophobicContact CE1-CD1 4.35Å; F591-I613 HydrophobicContact CG-CD1 4.38Å; F591-L692 WeakPolarHBondContact O-CA 3.3Å; F591-I693 HydrophobicContact CB-CB 4.14Å; F591-I693 HydrophobicContact CD2-CB 4.09Å; F591-I693 HydrophobicContact CD2-CG2 4.12Å; F591-I693 PolarHBondContact N-O 3.18Å; F591-I693 PolarHBondContact O-N 3.16Å; F591-L695 HydrophobicContact CE2-CD1 3.76Å; F591-L695 HydrophobicContact CE2-CG 4.11Å; F591-L695 HydrophobicContact CZ-CD1 4.49Å; F591-F710 AromaticContact CD1-CD2 3.46Å; F591-F710 HydrophobicContact CD1-CD2 3.46Å; F591-F710 VanDerWaalsContact CD1-CD2 3.46Å; F591-F710 AromaticContact CD1-CE2 3.6Å; F591-F710 HydrophobicContact CD1-CE2 3.6Å; F591-F710 HydrophobicContact CD1-CG 4.04Å; F591-F710 HydrophobicContact CD1-CZ 4.3Å; F591-F710 HydrophobicContact CE1-CB 3.95Å; F591-F710 AromaticContact CE1-CD2 3.62Å; F591-F710 HydrophobicContact CE1-CD2 3.62Å; F591-F710 HydrophobicContact CE1-CE2 4.21Å; F591-F710 AromaticContact CE1-CG 3.79Å; F591-F710 HydrophobicContact CE1-CG 3.79Å; F591-K736 WeakPolarHBondContact CA-O 3.43Å; F591-F737 HydrophobicContact CD1-CB 4.47Å; F591-F737 AromaticContact CD1-CD2 3.53Å; F591-F737 HydrophobicContact CD1-CD2 3.53Å; F591-F737 HydrophobicContact CD1-CE2 4.17Å; F591-F737 HydrophobicContact CD1-CG 4.38Å; F591-F737 AromaticContact CE1-CD2 3.23Å; F591-F737 HydrophobicContact CE1-CD2 3.23Å; F591-F737 AromaticContact CE1-CE2 3.43Å; F591-F737 HydrophobicContact CE1-CE2 3.43Å; F591-F737 VanDerWaalsContact CE1-CE2 3.43Å; F591-F737 HydrophobicContact CE1-CG 4.21Å; F591-F737 HydrophobicContact CE2-CD2 4.47Å; F591-F737 HydrophobicContact CE2-CE2 4.3Å; F591-F737 HydrophobicContact CG-CD2 4.3Å; F591-F737 AromaticContact CZ-CD2 3.77Å; F591-F737 HydrophobicContact CZ-CD2 3.77Å; F591-F737 AromaticContact CZ-CE2 3.51Å; F591-F737 HydrophobicContact CZ-CE2 3.51Å
592	I	90.5	Very high	78.3	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118	173.8	-54	152.2	0	0	0	106.6	V590 F690 N691 L692 I735 K736 L738 L795 R796	V590-I592 HydrophobicContact CG1-CG1 4.34Å; I592-F690 HydrophobicContact CG2-CD2 4.34Å; I592-N691 WeakPolarHBondContact CA-O 3.26Å; I592-L692 HydrophobicContact CG1-CD1 4.01Å; I592-I735 CarbonylContact O-C 3.51Å; I592-I735 WeakPolarHBondContact O-CA 3.3Å; I592-K736 HydrophobicContact CB-CB 4.16Å; I592-K736 HydrophobicContact CD1-CB 4.17Å; I592-K736 HydrophobicContact CD1-CD 4.08Å; I592-K736 PolarHBondContact N-O 2.95Å; I592-K736 PolarHBondContact O-N 3.38Å; I592-L738 HydrophobicContact CD1-CD1 4.23Å; I592-L795 HydrophobicContact CD1-CD2 3.63Å; I592-L795 HydrophobicContact CD1-CG 4.46Å; I592-L795 HydrophobicContact CG1-CD2 3.9Å; I592-R796 HydrophobicContact CG2-CG 4.24Å
593	L	91.3	Very high	80.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	104.8	-179.5	-55.3	158.2	0	0	0	108.3	V606 I609 I610 F690 N691 F710 I735	L593-V606 HydrophobicContact CB-CG1 3.9Å; L593-V606 HydrophobicContact CD1-CG1 4.39Å; L593-I609 HydrophobicContact CD1-CG2 4.09Å; L593-I609 HydrophobicContact CD2-CD1 4.34Å; L593-I609 HydrophobicContact CD2-CG2 4.19Å; L593-I610 HydrophobicContact CD1-CD1 4Å; L593-I610 HydrophobicContact CD1-CG1 3.51Å; L593-F690 CarbonylContact O-C 3.5Å; L593-F690 VanDerWaalsContact O-CA 3.29Å; L593-F690 WeakPolarHBondContact O-CA 3.5Å; L593-N691 HydrophobicContact CB-CB 4.21Å; L593-N691 HydrophobicContact CD1-CB 4.48Å; L593-N691 PolarHBondContact N-O 3.19Å; L593-N691 PolarHBondContact O-N 2.93Å; L593-F710 HydrophobicContact CD2-CE2 4.24Å; L593-I735 HydrophobicContact CD2-CB 4.13Å; L593-I735 HydrophobicContact CD2-CD1 4.08Å; L593-I735 HydrophobicContact CD2-CG1 3.76Å; L593-I735 HydrophobicContact CD2-CG2 3.58Å
594	E	88.4	Confident	81.6	Confident	34 Å²	34	52.4 Å²	52.4	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.4	174.1	-59.1	-66	163.7	0	0	109.7	N734 R796	E594-N734 WeakPolarHBondContact CA-O 3.48Å; E594-N734 HydrophobicContact CB-CB 4.24Å; E594-N734 WeakPolarHBondContact CB-O 3.45Å; E594-N734 VanDerWaalsContact CG-O 3.29Å; E594-N734 WeakPolarHBondContact CG-O 3.34Å; E594-N734 PolarHBondContact N-O 3.41Å; E594-R796 WeakPolarHBondContact OE1-CG 3.37Å; E594-R796 IonicContact OE1-CZ 2.94Å; E594-R796 IonicContact OE1-NE 2.81Å; E594-R796 PolarHBondContact OE1-NE 3Å; E594-R796 IonicContact OE1-NH2 3.13Å; E594-R796 IonicContact OE2-CZ 2.72Å; E594-R796 VanDerWaalsContact OE2-CZ 3.3Å; E594-R796 IonicContact OE2-NE 2.65Å; E594-R796 PolarHBondContact OE2-NE 2.55Å; E594-R796 IonicContact OE2-NH2 2.75Å; E594-R796 PolarHBondContact OE2-NH2 2.85Å
595	K	86.8	Confident	82.5	Confident	68 Å²	68	51.5 Å²	51.5	30%	0.296	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-86.4	131.5	176.6	-73	170.9	169.3	-177.1	0	109.3	N686 D687 E688 D689 N691	K595-N686 WeakPolarHBondContact CE-OD1 2.98Å; K595-N686 PolarHBondContact NZ-OD1 3.28Å; K595-D687 WeakPolarHBondContact CE-O 3.46Å; K595-D687 PolarHBondContact NZ-O 2.73Å; K595-E688 WeakPolarHBondContact CD-O 3.28Å; K595-D689 WeakPolarHBondContact CB-O 3.16Å; K595-D689 PolarHBondContact N-O 2.91Å; K595-N691 VanDerWaalsContact CE-ND2 3.31Å; K595-N691 WeakPolarHBondContact CE-ND2 3.34Å; K595-N691 WeakPolarHBondContact CE-OD1 3.44Å
596	P	77.8	Confident	82.9	Confident	30 Å²	30	51 Å²	51	20%	0.195	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-76.3	139.7	-178.8	30.1	-33.7	0	0	0	111.1	K598 T599 E602 A603	P596-K598 PolarHBondContact O-N 2.94Å; P596-T599 WeakPolarHBondContact CB-OG1 3.44Å; P596-E602 HydrophobicContact CB-CB 3.92Å; P596-E602 WeakPolarHBondContact CB-OE2 3.16Å; P596-E602 HydrophobicContact CG-CB 3.61Å; P596-A603 HydrophobicContact CG-CB 3.97Å
597	D	70.8	Confident	83.1	Confident	157 Å²	157	53.4 Å²	53.4	84%	0.84	27%	0.267	S	S	*	.	S	Bend	trans	-68.1	-28.4	-174.6	-73.9	-30.3	0	0	0	114
598	K	64.2	Low	83.2	Confident	200 Å²	200	55.6 Å²	55.6	87%	0.87	28%	0.277	S	S	*	.	S	Bend	trans	-145.7	-8.2	-164.7	-63.8	-174.3	-177.1	175.7	0	117.3	P596	P596-K598 PolarHBondContact O-N 2.94Å
599	T	70.9	Confident	83.4	Confident	43 Å²	43	55.6 Å²	55.6	26%	0.264	28%	0.277	S	S	.	.			trans	-105.4	98	-171.6	33.5	0	0	0	0	109.7	P596 I601 E602 A603 I726	P596-T599 WeakPolarHBondContact CB-OG1 3.44Å; T599-I601 PolarHBondContact O-N 3.04Å; T599-E602 PolarHBondContact O-N 2.68Å; T599-E602 PolarHBondContact OG1-OE2 2.85Å; T599-A603 PolarHBondContact O-N 3.13Å; T599-I726 HydrophobicContact CG2-CD1 4.4Å
600	E	77	Confident	83.5	Confident	177 Å²	177	56 Å²	56	83%	0.827	28%	0.28	S	S	*	.	H	α-helix	trans	-49.3	-35	176.3	-80.1	-173.1	160.9	0	0	112.5	K604	E600-K604 WeakPolarHBondContact O-CB 3.34Å; E600-K604 PolarHBondContact O-N 3.12Å
601	I	77	Confident	83.7	Confident	84 Å²	84	62.2 Å²	62.2	43%	0.431	31%	0.308	S	S	.	.	H	α-helix	trans	-70.8	-44.7	-178	-57.4	169.4	0	0	0	111.3	T599 A603 K604 Y605 Y720	T599-I601 PolarHBondContact O-N 3.04Å; I601-A603 VanDerWaalsContact C-N 3.33Å; I601-A603 PolarHBondContact O-N 2.65Å; I601-K604 WeakPolarHBondContact O-CB 3.44Å; I601-K604 PolarHBondContact O-N 2.81Å; I601-Y605 HydrophobicContact CG2-CD2 3.94Å; I601-Y605 HydrophobicContact CG2-CE2 3.73Å; I601-Y605 VanDerWaalsContact O-CD2 3.23Å; I601-Y605 WeakPolarHBondContact O-CD2 3.46Å; I601-Y605 PolarHBondContact O-N 2.93Å; I601-Y720 HydrophobicContact CB-CE1 4.3Å; I601-Y720 WeakPolarHBondContact CB-OH 3.32Å; I601-Y720 WeakPolarHBondContact CD1-OH 3.5Å; I601-Y720 HydrophobicContact CG2-CD1 4.47Å; I601-Y720 HydrophobicContact CG2-CD2 4.41Å; I601-Y720 HydrophobicContact CG2-CE1 3.7Å; I601-Y720 HydrophobicContact CG2-CE2 3.62Å; I601-Y720 VanDerWaalsContact CG2-OH 3.28Å; I601-Y720 WeakPolarHBondContact CG2-OH 3.1Å
602	E	77.3	Confident	83.8	Confident	7 Å²	7	64.9 Å²	64.9	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-39.4	176.3	-69.1	-179.8	163	0	0	111	P596 T599 K604 Y605 V606 Y717	P596-E602 HydrophobicContact CB-CB 3.92Å; P596-E602 WeakPolarHBondContact CB-OE2 3.16Å; P596-E602 HydrophobicContact CG-CB 3.61Å; T599-E602 PolarHBondContact O-N 2.68Å; T599-E602 PolarHBondContact OG1-OE2 2.85Å; E602-K604 VanDerWaalsContact C-N 3.26Å; E602-K604 PolarHBondContact O-N 3.2Å; E602-Y605 PolarHBondContact O-N 3.12Å; E602-Y605 VanDerWaalsContact O-N 3.12Å; E602-V606 WeakPolarHBondContact O-CG2 3.42Å; E602-V606 PolarHBondContact O-N 2.71Å; E602-Y717 HydrophobicContact CB-CE2 4.27Å; E602-Y717 HydrophobicContact CG-CE2 4.19Å
603	A	81.2	Confident	84	Confident	38 Å²	38	65 Å²	65	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-38.6	175.2	0	0	0	0	0	111.6	P596 T599 I601 S607	P596-A603 HydrophobicContact CG-CB 3.97Å; T599-A603 PolarHBondContact O-N 3.13Å; I601-A603 VanDerWaalsContact C-N 3.33Å; I601-A603 PolarHBondContact O-N 2.65Å; A603-S607 WeakPolarHBondContact O-CB 3.4Å; A603-S607 PolarHBondContact O-N 2.79Å; A603-S607 PolarHBondContact O-OG 3.24Å
604	K	84.7	Confident	84.2	Confident	156 Å²	156	67.5 Å²	67.5	68%	0.678	33%	0.333	S	S	*	.	H	α-helix	trans	-64.6	-41	174.2	-170.2	179	-178.9	178.7	0	112	E600 I601 E602 S607 E608	E600-K604 WeakPolarHBondContact O-CB 3.34Å; E600-K604 PolarHBondContact O-N 3.12Å; I601-K604 WeakPolarHBondContact O-CB 3.44Å; I601-K604 PolarHBondContact O-N 2.81Å; E602-K604 VanDerWaalsContact C-N 3.26Å; E602-K604 PolarHBondContact O-N 3.2Å; K604-S607 PolarHBondContact O-N 2.83Å; K604-E608 PolarHBondContact O-N 3.21Å
605	Y	84.8	Confident	84.5	Confident	45 Å²	45	69.2 Å²	69.2	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-44	176.1	-86.2	-75.6	0	0	0	112.8	I601 E602 S607 E608 I609 K716 Y717 Y720	I601-Y605 HydrophobicContact CG2-CD2 3.94Å; I601-Y605 HydrophobicContact CG2-CE2 3.73Å; I601-Y605 VanDerWaalsContact O-CD2 3.23Å; I601-Y605 WeakPolarHBondContact O-CD2 3.46Å; I601-Y605 PolarHBondContact O-N 2.93Å; E602-Y605 PolarHBondContact O-N 3.12Å; E602-Y605 VanDerWaalsContact O-N 3.12Å; Y605-S607 VanDerWaalsContact C-N 3.25Å; Y605-S607 PolarHBondContact O-N 2.91Å; Y605-E608 WeakPolarHBondContact O-CB 3.44Å; Y605-E608 PolarHBondContact O-N 3.3Å; Y605-E608 VanDerWaalsContact O-N 3.17Å; Y605-I609 WeakPolarHBondContact O-CG1 3.28Å; Y605-I609 PolarHBondContact O-N 3.16Å; Y605-K716 HydrophobicContact CE1-CD 3.93Å; Y605-K716 HydrophobicContact CE1-CG 3.95Å; Y605-Y717 HydrophobicContact CG-CD2 4.29Å; Y605-Y720 HydrophobicContact CD2-CD1 4.36Å; Y605-Y720 HydrophobicContact CD2-CG 4.4Å; Y605-Y720 AromaticContact CE2-CD1 3.96Å; Y605-Y720 HydrophobicContact CE2-CD1 3.96Å; Y605-Y720 AromaticContact CE2-CD2 3.72Å; Y605-Y720 HydrophobicContact CE2-CD2 3.72Å; Y605-Y720 HydrophobicContact CE2-CE1 4.45Å; Y605-Y720 HydrophobicContact CE2-CE2 4.22Å; Y605-Y720 AromaticContact CE2-CG 3.6Å; Y605-Y720 HydrophobicContact CE2-CG 3.6Å
606	V	87.1	Confident	84.9	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-42.2	175.1	172.1	0	0	0	0	110.3	L593 E602 I609 I610	L593-V606 HydrophobicContact CB-CG1 3.9Å; L593-V606 HydrophobicContact CD1-CG1 4.39Å; E602-V606 WeakPolarHBondContact O-CG2 3.42Å; E602-V606 PolarHBondContact O-N 2.71Å; V606-I609 PolarHBondContact O-N 3.09Å; V606-I610 HydrophobicContact CG1-CD1 4Å; V606-I610 WeakPolarHBondContact O-CG1 3.35Å; V606-I610 PolarHBondContact O-N 2.97Å; V606-I610 VanDerWaalsContact O-N 3.12Å
607	S	89	Confident	85.7	Confident	59 Å²	59	66.9 Å²	66.9	41%	0.413	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-42.3	175.3	-55.3	0	0	0	0	111.9	A603 K604 Y605 I609 I610 E611	A603-S607 WeakPolarHBondContact O-CB 3.4Å; A603-S607 PolarHBondContact O-N 2.79Å; A603-S607 PolarHBondContact O-OG 3.24Å; K604-S607 PolarHBondContact O-N 2.83Å; Y605-S607 VanDerWaalsContact C-N 3.25Å; Y605-S607 PolarHBondContact O-N 2.91Å; S607-I609 VanDerWaalsContact C-N 3.32Å; S607-I609 PolarHBondContact O-N 2.93Å; S607-I610 PolarHBondContact O-N 2.84Å; S607-E611 WeakPolarHBondContact O-CG 3.37Å; S607-E611 PolarHBondContact O-N 3.31Å
608	E	90.2	Very high	86.8	Confident	60 Å²	60	59.8 Å²	59.8	28%	0.28	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-40.6	176.1	-167	-173.8	161.9	0	0	111.7	K604 Y605 K612 K716	K604-E608 PolarHBondContact O-N 3.21Å; Y605-E608 WeakPolarHBondContact O-CB 3.44Å; Y605-E608 PolarHBondContact O-N 3.3Å; Y605-E608 VanDerWaalsContact O-N 3.17Å; E608-K612 WeakPolarHBondContact O-CB 2.97Å; E608-K612 WeakPolarHBondContact O-CG 3.26Å; E608-K612 PolarHBondContact O-N 3.18Å; E608-K716 VanDerWaalsContact CD-NZ 3.27Å; E608-K716 IonicContact OE1-NZ 2.94Å; E608-K716 PolarHBondContact OE1-NZ 2.78Å; E608-K716 IonicContact OE2-NZ 3.88Å; E608-K716 PolarHBondContact OE2-NZ 3.27Å
609	I	90.9	Very high	88.1	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-49.6	175.8	-67.9	164	0	0	0	110.4	L593 Y605 V606 S607 K612 I613 F710 C713 I735	L593-I609 HydrophobicContact CD1-CG2 4.09Å; L593-I609 HydrophobicContact CD2-CD1 4.34Å; L593-I609 HydrophobicContact CD2-CG2 4.19Å; Y605-I609 WeakPolarHBondContact O-CG1 3.28Å; Y605-I609 PolarHBondContact O-N 3.16Å; V606-I609 PolarHBondContact O-N 3.09Å; S607-I609 VanDerWaalsContact C-N 3.32Å; S607-I609 PolarHBondContact O-N 2.93Å; I609-K612 PolarHBondContact O-N 2.96Å; I609-I613 HydrophobicContact CG2-CD1 3.86Å; I609-I613 WeakPolarHBondContact O-CG1 3.37Å; I609-I613 PolarHBondContact O-N 2.82Å; I609-F710 HydrophobicContact CG2-CD2 4.28Å; I609-F710 HydrophobicContact CG2-CE2 4.38Å; I609-C713 HydrophobicContact CD1-CB 4.46Å; I609-C713 HydrophobicContact CG1-CB 3.65Å; I609-I735 HydrophobicContact CD1-CD1 3.87Å
610	I	92.9	Very high	89.1	Confident	10 Å²	10	52 Å²	52	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-46.6	-178.1	-65.4	165.9	0	0	0	110.3	L593 V606 S607 K612 I613 Q614 Y684 N691 I693	L593-I610 HydrophobicContact CD1-CD1 4Å; L593-I610 HydrophobicContact CD1-CG1 3.51Å; V606-I610 HydrophobicContact CG1-CD1 4Å; V606-I610 WeakPolarHBondContact O-CG1 3.35Å; V606-I610 PolarHBondContact O-N 2.97Å; V606-I610 VanDerWaalsContact O-N 3.12Å; S607-I610 PolarHBondContact O-N 2.84Å; I610-K612 VanDerWaalsContact C-N 3.33Å; I610-K612 PolarHBondContact O-N 2.82Å; I610-I613 PolarHBondContact O-N 2.78Å; I610-Q614 HydrophobicContact CG2-CG 4.26Å; I610-Q614 WeakPolarHBondContact O-CB 3.44Å; I610-Q614 VanDerWaalsContact O-CG 3.31Å; I610-Q614 WeakPolarHBondContact O-CG 3.38Å; I610-Q614 PolarHBondContact O-N 2.89Å; I610-Y684 HydrophobicContact CG2-CD1 4.49Å; I610-Y684 HydrophobicContact CG2-CE1 3.87Å; I610-N691 HydrophobicContact CD1-CB 3.81Å; I610-N691 VanDerWaalsContact CD1-CG 3.44Å; I610-I693 HydrophobicContact CG1-CD1 4.36Å; I610-I693 HydrophobicContact CG2-CD1 4.46Å
611	E	93.7	Very high	89.9	Confident	129 Å²	129	43.5 Å²	43.5	60%	0.603	22%	0.216	S	C	*	.	H	α-helix	trans	-59.7	-43.1	177.8	-76.1	-178.4	179.4	0	0	111.8	S607 Q614 L615	S607-E611 WeakPolarHBondContact O-CG 3.37Å; S607-E611 PolarHBondContact O-N 3.31Å; E611-Q614 PolarHBondContact O-N 2.73Å; E611-L615 VanDerWaalsContact O-CB 3.25Å; E611-L615 WeakPolarHBondContact O-CB 3.35Å; E611-L615 PolarHBondContact O-N 2.86Å
612	K	94.2	Very high	90.5	Very high	57 Å²	57	39.5 Å²	39.5	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-43.5	176	-81.5	-175.3	170.6	-165	0	112.1	E608 I609 I610 L615 F616 L709 E712 C713	E608-K612 WeakPolarHBondContact O-CB 2.97Å; E608-K612 WeakPolarHBondContact O-CG 3.26Å; E608-K612 PolarHBondContact O-N 3.18Å; I609-K612 PolarHBondContact O-N 2.96Å; I610-K612 VanDerWaalsContact C-N 3.33Å; I610-K612 PolarHBondContact O-N 2.82Å; K612-L615 PolarHBondContact O-N 2.88Å; K612-F616 WeakPolarHBondContact O-CB 3.15Å; K612-F616 PolarHBondContact O-N 3.24Å; K612-L709 HydrophobicContact CB-CD2 4.39Å; K612-L709 HydrophobicContact CD-CD1 4.5Å; K612-E712 IonicContact NZ-OE1 3.79Å; K612-E712 PolarHBondContact NZ-OE1 2.9Å; K612-C713 WeakPolarHBondContact CD-SG 3.46Å
613	I	94.5	Very high	91	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-47.5	176.2	-67.5	169.7	0	0	0	110.4	F591 I609 I610 L615 F616 V617 I693 L695 L709 F710	F591-I613 HydrophobicContact CD1-CD1 4.18Å; F591-I613 HydrophobicContact CE1-CD1 4.35Å; F591-I613 HydrophobicContact CG-CD1 4.38Å; I609-I613 HydrophobicContact CG2-CD1 3.86Å; I609-I613 WeakPolarHBondContact O-CG1 3.37Å; I609-I613 PolarHBondContact O-N 2.82Å; I610-I613 PolarHBondContact O-N 2.78Å; I613-L615 VanDerWaalsContact C-N 3.33Å; I613-L615 PolarHBondContact O-N 3.17Å; I613-F616 WeakPolarHBondContact O-CB 3.47Å; I613-F616 PolarHBondContact O-N 2.83Å; I613-V617 HydrophobicContact CG2-CG2 4.43Å; I613-V617 WeakPolarHBondContact O-CG2 3.37Å; I613-V617 PolarHBondContact O-N 2.92Å; I613-I693 HydrophobicContact CD1-CD1 4.22Å; I613-I693 HydrophobicContact CG2-CD1 4.32Å; I613-L695 HydrophobicContact CG2-CD1 4.16Å; I613-L709 HydrophobicContact CG1-CD2 4.47Å; I613-F710 HydrophobicContact CD1-CD2 4.4Å
614	Q	94.6	Very high	91.2	Very high	54 Å²	54	45.6 Å²	45.6	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-44.5	178.2	-74	-176.5	-37.2	0	0	112	I610 E611 V617 L618 L757	I610-Q614 HydrophobicContact CG2-CG 4.26Å; I610-Q614 WeakPolarHBondContact O-CB 3.44Å; I610-Q614 VanDerWaalsContact O-CG 3.31Å; I610-Q614 WeakPolarHBondContact O-CG 3.38Å; I610-Q614 PolarHBondContact O-N 2.89Å; E611-Q614 PolarHBondContact O-N 2.73Å; Q614-V617 PolarHBondContact O-N 2.79Å; Q614-L618 WeakPolarHBondContact O-CB 3.41Å; Q614-L618 PolarHBondContact O-N 2.85Å; Q614-L757 HydrophobicContact CG-CB 4.15Å; Q614-L757 HydrophobicContact CG-CD2 3.72Å
615	L	94.6	Very high	91.2	Very high	69 Å²	69	38.3 Å²	38.3	36%	0.361	18%	0.181	S	C	.	.	H	α-helix	trans	-64.8	-42	178	-170.5	71	0	0	0	111.2	E611 K612 I613 L618 K619 L633	E611-L615 VanDerWaalsContact O-CB 3.25Å; E611-L615 WeakPolarHBondContact O-CB 3.35Å; E611-L615 PolarHBondContact O-N 2.86Å; K612-L615 PolarHBondContact O-N 2.88Å; I613-L615 VanDerWaalsContact C-N 3.33Å; I613-L615 PolarHBondContact O-N 3.17Å; L615-L618 PolarHBondContact O-N 3.44Å; L615-K619 HydrophobicContact CD1-CD 4.46Å; L615-K619 HydrophobicContact CG-CD 4.23Å; L615-K619 WeakPolarHBondContact O-CB 3.45Å; L615-K619 WeakPolarHBondContact O-CG 3.41Å; L615-K619 PolarHBondContact O-N 3.45Å; L615-L633 HydrophobicContact CD1-CD1 4.33Å; L615-L633 HydrophobicContact CD1-CD2 3.61Å
616	F	95	Very high	91.1	Very high	47 Å²	47	39.3 Å²	39.3	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-50.9	175.8	-176.2	-79.9	0	0	0	111	K612 I613 L618 K619 S620 I680 I702 L706 L709	K612-F616 WeakPolarHBondContact O-CB 3.15Å; K612-F616 PolarHBondContact O-N 3.24Å; I613-F616 WeakPolarHBondContact O-CB 3.47Å; I613-F616 PolarHBondContact O-N 2.83Å; F616-L618 PolarHBondContact O-N 3.37Å; F616-K619 PolarHBondContact O-N 2.85Å; F616-S620 WeakPolarHBondContact O-CB 3.38Å; F616-S620 PolarHBondContact O-N 3.07Å; F616-I680 HydrophobicContact CD1-CD1 4.02Å; F616-I680 HydrophobicContact CE1-CD1 3.76Å; F616-I702 HydrophobicContact CE1-CG2 3.96Å; F616-I702 HydrophobicContact CZ-CG2 4.39Å; F616-L706 HydrophobicContact CB-CD2 4.41Å; F616-L706 HydrophobicContact CD1-CD1 4.37Å; F616-L706 HydrophobicContact CD1-CD2 3.38Å; F616-L706 HydrophobicContact CD1-CG 3.63Å; F616-L706 HydrophobicContact CE1-CD1 4.14Å; F616-L706 HydrophobicContact CE1-CD2 3.8Å; F616-L706 HydrophobicContact CE1-CG 3.47Å; F616-L706 VanDerWaalsContact CE1-CG 3.47Å; F616-L706 HydrophobicContact CG-CD2 3.95Å; F616-L706 HydrophobicContact CG-CG 4.48Å; F616-L706 HydrophobicContact CZ-CG 4.17Å; F616-L709 HydrophobicContact CB-CD2 3.85Å; F616-L709 HydrophobicContact CD2-CD2 4.14Å; F616-L709 HydrophobicContact CG-CD2 4.14Å
617	V	94.3	Very high	91.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-48.4	179.2	171.8	0	0	0	0	110.8	I613 Q614 K619 S620 N621 I680 L695	I613-V617 HydrophobicContact CG2-CG2 4.43Å; I613-V617 WeakPolarHBondContact O-CG2 3.37Å; I613-V617 PolarHBondContact O-N 2.92Å; Q614-V617 PolarHBondContact O-N 2.79Å; V617-K619 PolarHBondContact O-N 2.83Å; V617-S620 PolarHBondContact O-N 3.07Å; V617-N621 VanDerWaalsContact O-CB 3.31Å; V617-N621 WeakPolarHBondContact O-CB 3.24Å; V617-N621 VanDerWaalsContact O-CG 3.26Å; V617-N621 PolarHBondContact O-N 3.08Å; V617-I680 HydrophobicContact CG1-CB 4.3Å; V617-I680 HydrophobicContact CG1-CG2 4.36Å; V617-I680 HydrophobicContact CG2-CD1 4.32Å; V617-I680 HydrophobicContact CG2-CG2 4.05Å; V617-L695 HydrophobicContact CG2-CD1 4.09Å; V617-L695 HydrophobicContact CG2-CD2 4.24Å
618	L	93.8	Very high	91.1	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-48.7	-178.6	-176	70	0	0	0	111.9	Q614 L615 F616 A622 L633 I636 K637 L640 Y756	Q614-L618 WeakPolarHBondContact O-CB 3.41Å; Q614-L618 PolarHBondContact O-N 2.85Å; L615-L618 PolarHBondContact O-N 3.44Å; F616-L618 PolarHBondContact O-N 3.37Å; L618-A622 WeakPolarHBondContact O-CB 3.48Å; L618-A622 PolarHBondContact O-N 2.83Å; L618-L633 HydrophobicContact CD2-CB 4.25Å; L618-L633 HydrophobicContact CD2-CD2 3.83Å; L618-I636 HydrophobicContact CD1-CG2 3.85Å; L618-I636 HydrophobicContact CD2-CG2 4.47Å; L618-I636 HydrophobicContact CG-CG2 3.87Å; L618-K637 HydrophobicContact CD1-CG 3.67Å; L618-K637 HydrophobicContact CD2-CG 4.25Å; L618-L640 HydrophobicContact CD1-CD1 3.61Å; L618-Y756 HydrophobicContact CD1-CG 4.36Å
619	K	92.9	Very high	90.8	Very high	66 Å²	66	38.6 Å²	38.6	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-70	-41.3	-179.4	-71.2	-173.7	174.3	-171.3	0	112.2	L615 F616 V617 A622 R623 D629	L615-K619 HydrophobicContact CD1-CD 4.46Å; L615-K619 HydrophobicContact CG-CD 4.23Å; L615-K619 WeakPolarHBondContact O-CB 3.45Å; L615-K619 WeakPolarHBondContact O-CG 3.41Å; L615-K619 PolarHBondContact O-N 3.45Å; F616-K619 PolarHBondContact O-N 2.85Å; V617-K619 PolarHBondContact O-N 2.83Å; K619-A622 WeakPolarHBondContact O-CB 3.31Å; K619-A622 PolarHBondContact O-N 3.18Å; K619-R623 VanDerWaalsContact O-CG 3.32Å; K619-R623 WeakPolarHBondContact O-CG 3.49Å; K619-R623 PolarHBondContact O-N 2.84Å; K619-D629 HydrophobicContact CB-CB 4.17Å; K619-D629 HydrophobicContact CD-CB 4.49Å; K619-D629 HydrophobicContact CG-CB 4.18Å
620	S	92.2	Very high	90.7	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-46.9	178.5	-166.1	0	0	0	0	110.3	F616 V617 A622 R623 S624	F616-S620 WeakPolarHBondContact O-CB 3.38Å; F616-S620 PolarHBondContact O-N 3.07Å; V617-S620 PolarHBondContact O-N 3.07Å; S620-A622 VanDerWaalsContact C-N 3.33Å; S620-A622 PolarHBondContact O-N 3.19Å; S620-R623 PolarHBondContact O-N 2.81Å; S620-S624 PolarHBondContact O-N 2.82Å; S620-S624 PolarHBondContact O-OG 3.4Å
621	N	92.1	Very high	90.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-36.8	178.6	-71.3	-5.8	0	0	0	112.3	V617 S624 I625 L640 L679 I680 W755	V617-N621 VanDerWaalsContact O-CB 3.31Å; V617-N621 WeakPolarHBondContact O-CB 3.24Å; V617-N621 VanDerWaalsContact O-CG 3.26Å; V617-N621 PolarHBondContact O-N 3.08Å; N621-S624 PolarHBondContact O-N 2.85Å; N621-I625 WeakPolarHBondContact O-CD1 3.34Å; N621-I625 VanDerWaalsContact O-CG1 3.25Å; N621-I625 WeakPolarHBondContact O-CG1 3.35Å; N621-I625 PolarHBondContact O-N 2.97Å; N621-L640 HydrophobicContact CB-CD1 4.46Å; N621-L640 HydrophobicContact CB-CD2 4.31Å; N621-L679 HydrophobicContact CB-CD2 3.76Å; N621-I680 PolarHBondContact ND2-O 3.09Å; N621-I680 WeakPolarHBondContact OD1-CB 3.05Å; N621-I680 PolarHBondContact OD1-N 2.9Å; N621-W755 PolarHBondContact ND2-O 3.38Å
622	A	89.9	Confident	90.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.7	-51.6	172.5	0	0	0	0	0	111.2	L618 K619 S620 S624 I625 G626 I627 I636	L618-A622 WeakPolarHBondContact O-CB 3.48Å; L618-A622 PolarHBondContact O-N 2.83Å; K619-A622 WeakPolarHBondContact O-CB 3.31Å; K619-A622 PolarHBondContact O-N 3.18Å; S620-A622 VanDerWaalsContact C-N 3.33Å; S620-A622 PolarHBondContact O-N 3.19Å; A622-S624 PolarHBondContact O-N 3.16Å; A622-I625 CarbonylContact O-C 3.59Å; A622-I625 PolarHBondContact O-N 2.79Å; A622-G626 PolarHBondContact O-N 2.96Å; A622-G626 VanDerWaalsContact O-N 3.1Å; A622-I627 CarbonylContact C-O 3.6Å; A622-I627 VanDerWaalsContact C-O 3.28Å; A622-I627 HydrophobicContact CB-CB 4.03Å; A622-I627 HydrophobicContact CB-CG2 4.3Å; A622-I627 PolarHBondContact O-N 2.82Å; A622-I636 HydrophobicContact CB-CG2 3.58Å
623	R	89.3	Confident	90.4	Very high	153 Å²	153	47.7 Å²	47.7	58%	0.577	26%	0.255	S	S	*	.	H	α-helix	trans	-60.7	-44.5	178	-67.9	173.2	-169.9	168.8	-0.3	112.2	K619 S620 I625 G626 D629	K619-R623 VanDerWaalsContact O-CG 3.32Å; K619-R623 WeakPolarHBondContact O-CG 3.49Å; K619-R623 PolarHBondContact O-N 2.84Å; S620-R623 PolarHBondContact O-N 2.81Å; R623-I625 PolarHBondContact O-N 3.39Å; R623-I625 VanDerWaalsContact O-N 3.12Å; R623-G626 PolarHBondContact O-N 2.85Å; R623-D629 HydrophobicContact CG-CB 4.12Å; R623-D629 IonicContact CZ-OD2 3.83Å; R623-D629 IonicContact NE-OD2 3.99Å; R623-D629 PolarHBondContact NE-OD2 2.84Å; R623-D629 IonicContact NH2-OD2 3.73Å; R623-D629 PolarHBondContact NH2-OD2 2.86Å
624	S	85.2	Confident	90.2	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-30.2	179.2	-61.9	0	0	0	0	112.6	S620 N621 A622 K678	S620-S624 PolarHBondContact O-N 2.82Å; S620-S624 PolarHBondContact O-OG 3.4Å; N621-S624 PolarHBondContact O-N 2.85Å; A622-S624 PolarHBondContact O-N 3.16Å; S624-K678 VanDerWaalsContact OG-CB 3.22Å; S624-K678 WeakPolarHBondContact OG-CB 3.37Å; S624-K678 PolarHBondContact OG-O 3Å
625	I	83.4	Confident	89.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	4.2	-177.7	-52.5	168.2	0	0	0	110.5	N621 A622 R623 L640 R643 L675 L679 W755	N621-I625 WeakPolarHBondContact O-CD1 3.34Å; N621-I625 VanDerWaalsContact O-CG1 3.25Å; N621-I625 WeakPolarHBondContact O-CG1 3.35Å; N621-I625 PolarHBondContact O-N 2.97Å; A622-I625 CarbonylContact O-C 3.59Å; A622-I625 PolarHBondContact O-N 2.79Å; R623-I625 PolarHBondContact O-N 3.39Å; R623-I625 VanDerWaalsContact O-N 3.12Å; I625-L640 HydrophobicContact CD1-CD2 3.5Å; I625-L640 VanDerWaalsContact CD1-CD2 3.5Å; I625-R643 HydrophobicContact CG2-CG 4.43Å; I625-R643 VanDerWaalsContact CG2-NH1 3.28Å; I625-R643 PolarHBondContact O-NH1 3.03Å; I625-R643 PolarHBondContact O-NH2 3.01Å; I625-L675 HydrophobicContact CB-CD2 4.23Å; I625-L675 HydrophobicContact CG2-CD2 3.76Å; I625-L675 WeakPolarHBondContact O-CD2 3.23Å; I625-L679 HydrophobicContact CD1-CD1 4.23Å; I625-L679 HydrophobicContact CD1-CD2 3.54Å; I625-L679 HydrophobicContact CD1-CG 4.25Å; I625-L679 HydrophobicContact CG1-CD2 4.09Å; I625-L679 HydrophobicContact CG1-CG 4.42Å; I625-W755 HydrophobicContact CD1-CD2 4.35Å; I625-W755 HydrophobicContact CD1-CE3 3.32Å; I625-W755 HydrophobicContact CD1-CH2 4.46Å; I625-W755 HydrophobicContact CD1-CZ3 3.39Å; I625-W755 HydrophobicContact CG1-CZ3 4.46Å
626	G	84.2	Confident	89.8	Confident	65 Å²	65	51.1 Å²	51.1	67%	0.67	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	24.9	179.3	0	0	0	0	0	114.8	A622 R623	A622-G626 PolarHBondContact O-N 2.96Å; A622-G626 VanDerWaalsContact O-N 3.1Å; R623-G626 PolarHBondContact O-N 2.85Å
627	I	86	Confident	89.6	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.062	28%	0.28	C	S	.	.			trans	-89.8	130.4	167.1	-58.6	162.9	0	0	0	107.3	A622 D629 L631 N639 L640 R643	A622-I627 CarbonylContact C-O 3.6Å; A622-I627 VanDerWaalsContact C-O 3.28Å; A622-I627 HydrophobicContact CB-CB 4.03Å; A622-I627 HydrophobicContact CB-CG2 4.3Å; A622-I627 PolarHBondContact O-N 2.82Å; I627-D629 PolarHBondContact O-N 3.33Å; I627-L631 HydrophobicContact CG2-CD1 3.86Å; I627-N639 HydrophobicContact CD1-CB 3.56Å; I627-N639 HydrophobicContact CG1-CB 4.2Å; I627-N639 HydrophobicContact CG2-CB 4.41Å; I627-L640 HydrophobicContact CD1-CD2 3.9Å; I627-L640 HydrophobicContact CD1-CG 4.14Å; I627-R643 VanDerWaalsContact CG1-NH1 3.32Å
628	S	88.3	Confident	89.3	Confident	56 Å²	56	56 Å²	56	39%	0.392	30%	0.303	S	S	.	.			trans	-59.8	129	174.3	172.6	0	0	0	0	110.8	E630 L631	S628-E630 PolarHBondContact O-N 3.34Å; S628-E630 PolarHBondContact OG-N 2.73Å; S628-L631 WeakPolarHBondContact O-CB 3.49Å; S628-L631 PolarHBondContact O-N 3.17Å
629	D	85.6	Confident	89	Confident	40 Å²	40	58.9 Å²	58.9	21%	0.214	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.8	177.7	66.9	-35.3	0	0	0	113.4	K619 R623 I627 L631	K619-D629 HydrophobicContact CB-CB 4.17Å; K619-D629 HydrophobicContact CD-CB 4.49Å; K619-D629 HydrophobicContact CG-CB 4.18Å; R623-D629 HydrophobicContact CG-CB 4.12Å; R623-D629 IonicContact CZ-OD2 3.83Å; R623-D629 IonicContact NE-OD2 3.99Å; R623-D629 PolarHBondContact NE-OD2 2.84Å; R623-D629 IonicContact NH2-OD2 3.73Å; R623-D629 PolarHBondContact NH2-OD2 2.86Å; I627-D629 PolarHBondContact O-N 3.33Å; D629-L631 VanDerWaalsContact C-N 3.32Å
630	E	89	Confident	88.7	Confident	176 Å²	176	55.7 Å²	55.7	82%	0.822	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-14	171.1	-58	-171.4	164.7	0	0	112.5	S628	S628-E630 PolarHBondContact O-N 3.34Å; S628-E630 PolarHBondContact OG-N 2.73Å
631	L	90.2	Very high	88.5	Confident	64 Å²	64	57.7 Å²	57.7	34%	0.335	31%	0.314	S	S	.	.	S	Bend	trans	-64.1	150	178	-71.2	169.5	0	0	0	111.2	I627 S628 D629 L633 I635 I636	I627-L631 HydrophobicContact CG2-CD1 3.86Å; S628-L631 WeakPolarHBondContact O-CB 3.49Å; S628-L631 PolarHBondContact O-N 3.17Å; D629-L631 VanDerWaalsContact C-N 3.32Å; L631-L633 PolarHBondContact O-N 2.83Å; L631-I635 HydrophobicContact CB-CG2 4.44Å; L631-I635 HydrophobicContact CD1-CG2 4.22Å; L631-I635 HydrophobicContact CD2-CG2 4.5Å; L631-I636 HydrophobicContact CB-CD1 4.32Å; L631-I636 HydrophobicContact CB-CG1 3.76Å; L631-I636 VanDerWaalsContact O-CD1 3.26Å; L631-I636 WeakPolarHBondContact O-CD1 3.46Å
632	P	91.9	Very high	88.2	Confident	66 Å²	66	60.7 Å²	60.7	43%	0.429	34%	0.335	S	S	.	.			trans	-51.7	137.7	170.6	-26	32.7	0	0	0	111.9	H634 I635 I636	P632-H634 PolarHBondContact O-N 2.91Å; P632-I635 HydrophobicContact CB-CD1 4.27Å; P632-I635 HydrophobicContact CB-CG1 4.19Å; P632-I635 HydrophobicContact CG-CD1 3.97Å; P632-I635 HydrophobicContact CG-CG1 4.43Å; P632-I635 WeakPolarHBondContact O-CA 3.38Å; P632-I635 WeakPolarHBondContact O-CB 3.44Å; P632-I635 PolarHBondContact O-N 2.9Å; P632-I636 PolarHBondContact O-N 2.89Å; P632-I636 VanDerWaalsContact O-N 3.12Å
633	L	90.6	Very high	87.8	Confident	85 Å²	85	64.3 Å²	64.3	45%	0.445	35%	0.349	S	S	.	.	H	α-helix	trans	-53.7	-35.6	-172.2	-58.7	176.1	0	0	0	113.7	L615 L618 L631 I635 I636 K637	L615-L633 HydrophobicContact CD1-CD1 4.33Å; L615-L633 HydrophobicContact CD1-CD2 3.61Å; L618-L633 HydrophobicContact CD2-CB 4.25Å; L618-L633 HydrophobicContact CD2-CD2 3.83Å; L631-L633 PolarHBondContact O-N 2.83Å; L633-I635 VanDerWaalsContact C-N 3.34Å; L633-I636 PolarHBondContact O-N 3.25Å; L633-K637 WeakPolarHBondContact O-CG 3.42Å; L633-K637 PolarHBondContact O-N 3.44Å
634	H	90.4	Very high	87.5	Confident	138 Å²	138	57.6 Å²	57.6	64%	0.639	32%	0.324	S	S	*	.	H	α-helix	trans	-67.8	-34.2	178.1	72.8	-85.8	0	0	0	112.5	P632 A638	P632-H634 PolarHBondContact O-N 2.91Å; H634-A638 WeakPolarHBondContact O-CB 3.33Å; H634-A638 PolarHBondContact O-N 3.5Å
635	I	89.8	Confident	87.2	Confident	59 Å²	59	60.5 Å²	60.5	30%	0.303	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-42.1	175.8	-59.7	-172.7	0	0	0	109.7	L631 P632 L633 K637 A638 N639	L631-I635 HydrophobicContact CB-CG2 4.44Å; L631-I635 HydrophobicContact CD1-CG2 4.22Å; L631-I635 HydrophobicContact CD2-CG2 4.5Å; P632-I635 HydrophobicContact CB-CD1 4.27Å; P632-I635 HydrophobicContact CB-CG1 4.19Å; P632-I635 HydrophobicContact CG-CD1 3.97Å; P632-I635 HydrophobicContact CG-CG1 4.43Å; P632-I635 WeakPolarHBondContact O-CA 3.38Å; P632-I635 WeakPolarHBondContact O-CB 3.44Å; P632-I635 PolarHBondContact O-N 2.9Å; L633-I635 VanDerWaalsContact C-N 3.34Å; I635-K637 PolarHBondContact O-N 3.35Å; I635-A638 PolarHBondContact O-N 3.11Å; I635-N639 VanDerWaalsContact CG2-ND2 3.32Å; I635-N639 WeakPolarHBondContact CG2-ND2 3.34Å; I635-N639 PolarHBondContact O-N 2.9Å; I635-N639 PolarHBondContact O-ND2 3.27Å
636	I	91	Very high	86.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-49.6	175.3	-61.2	177.5	0	0	0	110.3	L618 A622 L631 P632 L633 A638 N639 L640	L618-I636 HydrophobicContact CD1-CG2 3.85Å; L618-I636 HydrophobicContact CD2-CG2 4.47Å; L618-I636 HydrophobicContact CG-CG2 3.87Å; A622-I636 HydrophobicContact CB-CG2 3.58Å; L631-I636 HydrophobicContact CB-CD1 4.32Å; L631-I636 HydrophobicContact CB-CG1 3.76Å; L631-I636 VanDerWaalsContact O-CD1 3.26Å; L631-I636 WeakPolarHBondContact O-CD1 3.46Å; P632-I636 PolarHBondContact O-N 2.89Å; P632-I636 VanDerWaalsContact O-N 3.12Å; L633-I636 PolarHBondContact O-N 3.25Å; I636-A638 VanDerWaalsContact C-N 3.35Å; I636-A638 PolarHBondContact O-N 3.3Å; I636-N639 PolarHBondContact O-N 3.16Å; I636-L640 HydrophobicContact CG2-CD1 4.01Å; I636-L640 HydrophobicContact CG2-CG 4.39Å; I636-L640 WeakPolarHBondContact O-CG 3.36Å; I636-L640 PolarHBondContact O-N 3.03Å
637	K	90.9	Very high	86.1	Confident	91 Å²	91	65.2 Å²	65.2	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-57.7	-44.4	177.9	-73.4	177.8	-179.2	-177.4	0	112.4	L618 L633 I635 L640 N641 Y756	L618-K637 HydrophobicContact CD1-CG 3.67Å; L618-K637 HydrophobicContact CD2-CG 4.25Å; L633-K637 WeakPolarHBondContact O-CG 3.42Å; L633-K637 PolarHBondContact O-N 3.44Å; I635-K637 PolarHBondContact O-N 3.35Å; K637-L640 PolarHBondContact O-N 2.99Å; K637-N641 PolarHBondContact O-N 3.18Å; K637-Y756 HydrophobicContact CB-CD1 4.42Å; K637-Y756 HydrophobicContact CB-CE1 4.3Å; K637-Y756 HydrophobicContact CG-CD1 4.2Å; K637-Y756 HydrophobicContact CG-CE1 4.39Å; K637-Y756 HydrophobicContact CG-CG 4.31Å
638	A	87.9	Confident	85.2	Confident	60 Å²	60	66.4 Å²	66.4	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-43	178.7	0	0	0	0	0	112.3	H634 I635 I636 N641 S642	H634-A638 WeakPolarHBondContact O-CB 3.33Å; H634-A638 PolarHBondContact O-N 3.5Å; I635-A638 PolarHBondContact O-N 3.11Å; I636-A638 VanDerWaalsContact C-N 3.35Å; I636-A638 PolarHBondContact O-N 3.3Å; A638-N641 PolarHBondContact O-N 2.96Å; A638-S642 WeakPolarHBondContact O-CB 3.06Å; A638-S642 PolarHBondContact O-N 2.81Å
639	N	88	Confident	83.8	Confident	69 Å²	69	68.4 Å²	68.4	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-66.2	-40.8	177.7	-77.9	-67.8	0	0	0	112.5	I627 I635 I636 S642 R643	I627-N639 HydrophobicContact CD1-CB 3.56Å; I627-N639 HydrophobicContact CG1-CB 4.2Å; I627-N639 HydrophobicContact CG2-CB 4.41Å; I635-N639 VanDerWaalsContact CG2-ND2 3.32Å; I635-N639 WeakPolarHBondContact CG2-ND2 3.34Å; I635-N639 PolarHBondContact O-N 2.9Å; I635-N639 PolarHBondContact O-ND2 3.27Å; I636-N639 PolarHBondContact O-N 3.16Å; N639-S642 PolarHBondContact O-N 3.12Å; N639-R643 PolarHBondContact O-N 3.06Å
640	L	87.5	Confident	82.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-45.3	175.2	-73.1	173.7	0	0	0	111.8	L618 N621 I625 I627 I636 K637 S642 R643 Q644 W755	L618-L640 HydrophobicContact CD1-CD1 3.61Å; N621-L640 HydrophobicContact CB-CD1 4.46Å; N621-L640 HydrophobicContact CB-CD2 4.31Å; I625-L640 HydrophobicContact CD1-CD2 3.5Å; I625-L640 VanDerWaalsContact CD1-CD2 3.5Å; I627-L640 HydrophobicContact CD1-CD2 3.9Å; I627-L640 HydrophobicContact CD1-CG 4.14Å; I636-L640 HydrophobicContact CG2-CD1 4.01Å; I636-L640 HydrophobicContact CG2-CG 4.39Å; I636-L640 WeakPolarHBondContact O-CG 3.36Å; I636-L640 PolarHBondContact O-N 3.03Å; K637-L640 PolarHBondContact O-N 2.99Å; L640-S642 PolarHBondContact O-N 3.02Å; L640-R643 PolarHBondContact O-N 3.15Å; L640-Q644 WeakPolarHBondContact O-CB 3.37Å; L640-Q644 PolarHBondContact O-N 3.47Å; L640-W755 HydrophobicContact CD2-CE3 4.43Å
641	N	86.9	Confident	80.5	Confident	54 Å²	54	62 Å²	62	29%	0.289	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-41.3	176.6	-79	-18.6	0	0	0	112.8	K637 A638 Q644 S645 Y756	K637-N641 PolarHBondContact O-N 3.18Å; A638-N641 PolarHBondContact O-N 2.96Å; N641-Q644 PolarHBondContact O-N 3.48Å; N641-S645 PolarHBondContact O-N 3.45Å; N641-S645 PolarHBondContact O-OG 3.02Å; N641-Y756 VanDerWaalsContact OD1-CE1 3.26Å; N641-Y756 WeakPolarHBondContact OD1-CE1 3.35Å
642	S	85.4	Confident	78.5	Confident	64 Å²	64	63.6 Å²	63.6	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-49.9	177.1	-177.8	0	0	0	0	110.8	A638 N639 L640 S645 Q646	A638-S642 WeakPolarHBondContact O-CB 3.06Å; A638-S642 PolarHBondContact O-N 2.81Å; N639-S642 PolarHBondContact O-N 3.12Å; L640-S642 PolarHBondContact O-N 3.02Å; S642-S645 PolarHBondContact O-N 2.67Å; S642-Q646 WeakPolarHBondContact O-CG 3.47Å; S642-Q646 PolarHBondContact O-N 2.91Å
643	R	82.4	Confident	76.2	Confident	76 Å²	76	62 Å²	62	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-43.5	177.4	-83.4	-170.5	166	148.8	-19.8	112.7	I625 I627 N639 L640 S645 Q646 Y647 W755	I625-R643 HydrophobicContact CG2-CG 4.43Å; I625-R643 VanDerWaalsContact CG2-NH1 3.28Å; I625-R643 PolarHBondContact O-NH1 3.03Å; I625-R643 PolarHBondContact O-NH2 3.01Å; I627-R643 VanDerWaalsContact CG1-NH1 3.32Å; N639-R643 PolarHBondContact O-N 3.06Å; L640-R643 PolarHBondContact O-N 3.15Å; R643-S645 PolarHBondContact O-N 2.61Å; R643-Q646 WeakPolarHBondContact O-CA 3.1Å; R643-Q646 WeakPolarHBondContact O-CB 3.34Å; R643-Q646 PolarHBondContact O-N 3.27Å; R643-Y647 VanDerWaalsContact O-CD2 3.26Å; R643-Y647 WeakPolarHBondContact O-CD2 3.36Å; R643-Y647 PolarHBondContact O-N 3.44Å; R643-Y647 VanDerWaalsContact O-N 3.16Å; R643-W755 HydrophobicContact CB-CZ3 4.01Å
644	Q	82.8	Confident	73.9	Confident	11 Å²	11	68.4 Å²	68.4	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-54.1	-42.3	176.1	179.6	172.8	5.5	0	0	112.1	L640 N641 Q646 Y647 M648 L753 W755	L640-Q644 WeakPolarHBondContact O-CB 3.37Å; L640-Q644 PolarHBondContact O-N 3.47Å; N641-Q644 PolarHBondContact O-N 3.48Å; Q644-Q646 PolarHBondContact O-N 3.29Å; Q644-Y647 PolarHBondContact O-N 3.07Å; Q644-Y647 VanDerWaalsContact O-N 3.14Å; Q644-M648 HydrophobicContact CG-CG 4.23Å; Q644-M648 VanDerWaalsContact O-CG 3.25Å; Q644-M648 WeakPolarHBondContact O-CG 3.38Å; Q644-M648 PolarHBondContact O-N 3.29Å; Q644-L753 VanDerWaalsContact NE2-C 3.27Å; Q644-L753 PolarHBondContact NE2-O 3.42Å; Q644-W755 HydrophobicContact CB-CD2 3.81Å; Q644-W755 HydrophobicContact CB-CE3 3.97Å; Q644-W755 HydrophobicContact CB-CG 4.3Å; Q644-W755 HydrophobicContact CB-CH2 4.42Å; Q644-W755 HydrophobicContact CB-CZ2 4.23Å; Q644-W755 HydrophobicContact CB-CZ3 4.27Å; Q644-W755 HydrophobicContact CG-CD2 4.15Å; Q644-W755 HydrophobicContact CG-CG 4.39Å; Q644-W755 HydrophobicContact CG-CZ2 4.3Å
645	S	78.3	Confident	71.5	Confident	82 Å²	82	64.2 Å²	64.2	57%	0.573	35%	0.346	S	S	*	.	H	α-helix	trans	-62.5	-30.7	178.2	-57.3	0	0	0	0	112.7	N641 S642 R643	N641-S645 PolarHBondContact O-N 3.45Å; N641-S645 PolarHBondContact O-OG 3.02Å; S642-S645 PolarHBondContact O-N 2.67Å; R643-S645 PolarHBondContact O-N 2.61Å
646	Q	75.4	Confident	69	Low	127 Å²	127	64.9 Å²	64.9	59%	0.593	36%	0.355	S	S	*	.	H	α-helix	trans	-72.7	-35.1	175.4	-64.2	169.4	-9.8	0	0	112.2	S642 R643 Q644 P649	S642-Q646 WeakPolarHBondContact O-CG 3.47Å; S642-Q646 PolarHBondContact O-N 2.91Å; R643-Q646 WeakPolarHBondContact O-CA 3.1Å; R643-Q646 WeakPolarHBondContact O-CB 3.34Å; R643-Q646 PolarHBondContact O-N 3.27Å; Q644-Q646 PolarHBondContact O-N 3.29Å; Q646-P649 WeakPolarHBondContact O-CD 3.41Å
647	Y	70.4	Confident	66.7	Low	39 Å²	39	67 Å²	67	15%	0.153	37%	0.367	C	S	.	.	H	α-helix	trans	-90.3	-16.3	-178.7	-72.7	-83.8	0	0	0	114.5	R643 Q644 C650 I651 D672 V676 W755	R643-Y647 VanDerWaalsContact O-CD2 3.26Å; R643-Y647 WeakPolarHBondContact O-CD2 3.36Å; R643-Y647 PolarHBondContact O-N 3.44Å; R643-Y647 VanDerWaalsContact O-N 3.16Å; Q644-Y647 PolarHBondContact O-N 3.07Å; Q644-Y647 VanDerWaalsContact O-N 3.14Å; Y647-C650 WeakPolarHBondContact O-CB 3.36Å; Y647-C650 PolarHBondContact O-N 2.81Å; Y647-I651 PolarHBondContact O-N 2.85Å; Y647-D672 PolarHBondContact OH-O 3.33Å; Y647-D672 VanDerWaalsContact OH-O 3.13Å; Y647-V676 HydrophobicContact CE1-CG2 4.48Å; Y647-W755 AromaticContact CD2-CH2 3.67Å; Y647-W755 HydrophobicContact CD2-CH2 3.67Å; Y647-W755 HydrophobicContact CD2-CZ3 4.39Å; Y647-W755 HydrophobicContact CE2-CH2 4.42Å; Y647-W755 HydrophobicContact CG-CH2 4.09Å
648	M	66.2	Low	64	Low	38 Å²	38	63.5 Å²	63.5	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-51.6	-40.8	179.3	-84.3	-106.7	77.3	0	0	115.1	Q644 C650 I651 H652	Q644-M648 HydrophobicContact CG-CG 4.23Å; Q644-M648 VanDerWaalsContact O-CG 3.25Å; Q644-M648 WeakPolarHBondContact O-CG 3.38Å; Q644-M648 PolarHBondContact O-N 3.29Å; M648-C650 PolarHBondContact O-N 2.78Å; M648-I651 HydrophobicContact CE-CB 4.41Å; M648-I651 HydrophobicContact CE-CD1 4.4Å; M648-I651 HydrophobicContact CE-CG2 4.41Å; M648-I651 PolarHBondContact O-N 3.16Å; M648-H652 WeakPolarHBondContact CE-NE2 3.47Å; M648-H652 PolarHBondContact O-CD2 2.84Å; M648-H652 VanDerWaalsContact O-CD2 3.3Å; M648-H652 PolarHBondContact O-N 2.72Å
649	P	59.2	Low	61.6	Low	97 Å²	97	65 Å²	65	63%	0.63	35%	0.353	S	S	*	.	H	α-helix	trans	-59	-32.7	177.1	-24.3	34.9	0	0	0	113.3	Q646	Q646-P649 WeakPolarHBondContact O-CD 3.41Å
650	C	52.9	Low	59.3	Low	47 Å²	47	63.6 Å²	63.6	32%	0.318	35%	0.345	S	S	.	.	H	α-helix	trans	-73.5	-35.3	-179.5	-42.7	0	0	0	0	111.6	Y647 M648 S653 I659	Y647-C650 WeakPolarHBondContact O-CB 3.36Å; Y647-C650 PolarHBondContact O-N 2.81Å; M648-C650 PolarHBondContact O-N 2.78Å; C650-S653 PolarHBondContact O-OG 3.07Å; C650-I659 HydrophobicContact CB-CG2 4.42Å
651	I	52.9	Low	56.8	Low	34 Å²	34	68.3 Å²	68.3	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-72	-31.7	-176.4	-62.7	170.1	0	0	0	112.3	Y647 M648 A751	Y647-I651 PolarHBondContact O-N 2.85Å; M648-I651 HydrophobicContact CE-CB 4.41Å; M648-I651 HydrophobicContact CE-CD1 4.4Å; M648-I651 HydrophobicContact CE-CG2 4.41Å; M648-I651 PolarHBondContact O-N 3.16Å; I651-A751 HydrophobicContact CG2-CB 4.02Å
652	H	47.4	Very low	54	Low	98 Å²	98	68.5 Å²	68.5	45%	0.454	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.2	-175.1	-75	-60.7	0	0	0	115.5	M648 Q824	M648-H652 WeakPolarHBondContact CE-NE2 3.47Å; M648-H652 PolarHBondContact O-CD2 2.84Å; M648-H652 VanDerWaalsContact O-CD2 3.3Å; M648-H652 PolarHBondContact O-N 2.72Å; H652-Q824 PolarHBondContact CE1-OE1 3.06Å
653	S	43.6	Very low	51.3	Low	32 Å²	32	71.3 Å²	71.3	22%	0.224	38%	0.381	C	S	.	.	S	Bend	trans	-64.4	137.8	168.3	75.3	0	0	0	0	109	C650 S655 S656 I659	C650-S653 PolarHBondContact O-OG 3.07Å; S653-S655 CarbonylContact O-C 3.59Å; S653-S655 PolarHBondContact O-N 3.02Å; S653-S656 PolarHBondContact O-N 3.06Å; S653-I659 VanDerWaalsContact CB-CD1 3.45Å; S653-I659 WeakPolarHBondContact OG-CD1 3.41Å; S653-I659 WeakPolarHBondContact OG-CG1 3.37Å
654	K	41.7	Very low	48.9	Very low	220 Å²	220	70.4 Å²	70.4	96%	0.957	39%	0.387	S	S	*	.	S	Bend	trans	-61	1.7	-177.3	-72.4	-176.9	175.5	-177.1	0	114.6
655	S	41.3	Very low	46.6	Very low	51 Å²	51	77.1 Å²	77.1	36%	0.357	42%	0.423	S	S	.	.			trans	-112.7	70.7	168.3	-167.1	0	0	0	0	109.4	S653 N657 A658	S653-S655 CarbonylContact O-C 3.59Å; S653-S655 PolarHBondContact O-N 3.02Å; S655-N657 PolarHBondContact O-N 3.18Å; S655-A658 PolarHBondContact O-N 3.19Å; S655-A658 VanDerWaalsContact O-N 3.12Å; S655-A658 WeakPolarHBondContact OG-CB 3.31Å; S655-A658 PolarHBondContact OG-N 3.08Å
656	S	37.7	Very low	44.5	Very low	72 Å²	72	78.9 Å²	78.9	50%	0.503	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-6.2	179.4	-44.3	0	0	0	0	113.6	S653	S653-S656 PolarHBondContact O-N 3.06Å
657	N	41.2	Very low	42.5	Very low	45 Å²	45	82.6 Å²	82.6	24%	0.241	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-23.1	173.9	-71	10.8	0	0	0	114.4	S655 T746	S655-N657 PolarHBondContact O-N 3.18Å; N657-T746 PolarHBondContact ND2-O 2.95Å
658	A	35.9	Very low	40.7	Very low	17 Å²	17	88.6 Å²	88.6	14%	0.14	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-24.5	-176	0	0	0	0	0	114.7	S655 L660 L661 N662	S655-A658 PolarHBondContact O-N 3.19Å; S655-A658 VanDerWaalsContact O-N 3.12Å; S655-A658 WeakPolarHBondContact OG-CB 3.31Å; S655-A658 PolarHBondContact OG-N 3.08Å; A658-L660 VanDerWaalsContact C-N 3.3Å; A658-L660 PolarHBondContact O-N 3.17Å; A658-L661 PolarHBondContact O-N 2.9Å; A658-N662 PolarHBondContact O-N 2.81Å
659	I	37	Very low	39	Very low	91 Å²	91	92.9 Å²	92.9	47%	0.467	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.3	-176.2	-54.2	-156.6	0	0	0	112.7	C650 S653	C650-I659 HydrophobicContact CB-CG2 4.42Å; S653-I659 VanDerWaalsContact CB-CD1 3.45Å; S653-I659 WeakPolarHBondContact OG-CD1 3.41Å; S653-I659 WeakPolarHBondContact OG-CG1 3.37Å
660	L	39	Very low	37.8	Very low	40 Å²	40	93.6 Å²	93.6	21%	0.209	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4	165.4	-74.5	169.5	0	0	0	113	A658 I673 V676	A658-L660 VanDerWaalsContact C-N 3.3Å; A658-L660 PolarHBondContact O-N 3.17Å; L660-I673 WeakPolarHBondContact O-CG2 3.49Å; L660-V676 HydrophobicContact CD1-CG1 4.22Å; L660-V676 HydrophobicContact CD2-CG2 4.32Å
661	L	35.9	Very low	37.2	Very low	99 Å²	99	99.3 Å²	99.3	52%	0.518	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-16.8	-173.9	-86.5	153.9	0	0	0	116	A658	A658-L661 PolarHBondContact O-N 2.9Å
662	N	28.4	Very low	36.7	Very low	59 Å²	59	101.9 Å²	101.9	32%	0.316	53%	0.527	S	S	.	.			trans	-130.5	86.4	-176.5	-77.8	-26	0	0	0	113.7	A658	A658-N662 PolarHBondContact O-N 2.81Å
663	N	28.8	Very low	36.7	Very low	123 Å²	123	100.4 Å²	100.4	66%	0.658	52%	0.522	S	S	*	.			trans	-140.1	59.5	151.3	-104.2	-2.6	0	0	0	108.9	N665	N663-N665 PolarHBondContact O-N 3.37Å
664	S	31.1	Very low	37	Very low	57 Å²	57	102.7 Å²	102.7	40%	0.399	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	17	174.3	47.3	0	0	0	0	114
665	N	34.2	Very low	37.4	Very low	152 Å²	152	94.2 Å²	94.2	81%	0.813	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.6	176.1	-78	-27.1	0	0	0	115	N663	N663-N665 PolarHBondContact O-N 3.37Å
666	D	34.8	Very low	38.3	Very low	119 Å²	119	92.7 Å²	92.7	64%	0.636	49%	0.49	S	S	*	.			trans	-108.6	107.8	169.3	-85.7	-34.5	0	0	0	110.2	H668	D666-H668 PolarHBondContact O-N 2.74Å
667	K	33.9	Very low	39.4	Very low	204 Å²	204	92.3 Å²	92.3	89%	0.887	48%	0.482	S	S	*	.			trans	-67.8	21.9	177.7	-76.5	-177.8	174.5	176.9	0	114.3
668	H	31.3	Very low	41.1	Very low	165 Å²	165	94.9 Å²	94.9	76%	0.764	49%	0.491	S	S	*	.	S	Bend	trans	-129.2	108	179	-82.6	-67.4	0	0	0	110.5	D666	D666-H668 PolarHBondContact O-N 2.74Å
669	N	31.3	Very low	43.6	Very low	128 Å²	128	94.2 Å²	94.2	68%	0.684	49%	0.485	S	S	*	.			trans	84.6	66.3	167	-50.8	-10.3	0	0	0	117.2	E671	N669-E671 VanDerWaalsContact C-N 3.32Å; N669-E671 PolarHBondContact O-N 2.72Å
670	N	33	Very low	46.2	Very low	112 Å²	112	90 Å²	90	60%	0.599	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	15.3	171	-82.7	-15.4	0	0	0	114.8
671	E	40.1	Very low	48.7	Very low	168 Å²	168	88.2 Å²	88.2	79%	0.785	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-15.4	-179.2	-70.6	-167.6	164.4	0	0	114.5	N669 P674	N669-E671 VanDerWaalsContact C-N 3.32Å; N669-E671 PolarHBondContact O-N 2.72Å; E671-P674 WeakPolarHBondContact O-CD 3.14Å
672	D	43.2	Very low	51.3	Low	87 Å²	87	83.8 Å²	83.8	47%	0.465	43%	0.433	S	S	.	.	S	Bend	trans	-96.8	-3.2	-167.5	-71.4	-41.1	0	0	0	115.7	Y647	Y647-D672 PolarHBondContact OH-O 3.33Å; Y647-D672 VanDerWaalsContact OH-O 3.13Å
673	I	46.2	Very low	54.2	Low	67 Å²	67	81.4 Å²	81.4	34%	0.344	42%	0.42	S	S	.	.	S	Bend	trans	-83.5	-32.7	-177.1	-64.3	172.2	0	0	0	114.2	L660 L675	L660-I673 WeakPolarHBondContact O-CG2 3.49Å; I673-L675 PolarHBondContact O-N 2.8Å
674	P	50	Low	57.3	Low	80 Å²	80	76.1 Å²	76.1	52%	0.519	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-67.8	-15.7	178.6	-16.7	29.7	0	0	0	114.6	E671 V676 N677	E671-P674 WeakPolarHBondContact O-CD 3.14Å; P674-V676 VanDerWaalsContact C-N 3.28Å; P674-V676 PolarHBondContact O-N 3.17Å; P674-N677 PolarHBondContact O-N 3.2Å
675	L	51.3	Low	60.2	Low	42 Å²	42	73.8 Å²	73.8	22%	0.22	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-68.5	-20.4	-169.4	-105.3	80.5	0	0	0	114.5	I625 I673	I625-L675 HydrophobicContact CB-CD2 4.23Å; I625-L675 HydrophobicContact CG2-CD2 3.76Å; I625-L675 WeakPolarHBondContact O-CD2 3.23Å; I673-L675 PolarHBondContact O-N 2.8Å
676	V	59.6	Low	63	Low	20 Å²	20	67.4 Å²	67.4	12%	0.121	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-86.1	-20.2	-177	-178.5	0	0	0	0	112	Y647 L660 P674 K678 L679	Y647-V676 HydrophobicContact CE1-CG2 4.48Å; L660-V676 HydrophobicContact CD1-CG1 4.22Å; L660-V676 HydrophobicContact CD2-CG2 4.32Å; P674-V676 VanDerWaalsContact C-N 3.28Å; P674-V676 PolarHBondContact O-N 3.17Å; V676-K678 PolarHBondContact O-N 2.84Å; V676-L679 HydrophobicContact CB-CD1 4.23Å; V676-L679 HydrophobicContact CG1-CD1 3.89Å; V676-L679 HydrophobicContact CG2-CD1 4.38Å; V676-L679 WeakPolarHBondContact O-CB 3.17Å; V676-L679 PolarHBondContact O-N 2.83Å; V676-L679 VanDerWaalsContact O-N 3.13Å
677	N	61.7	Low	65.7	Low	64 Å²	64	61.9 Å²	61.9	34%	0.342	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	11.8	-170.5	-71.1	-3	0	0	0	115.3	Q584 P674 D698	Q584-N677 PolarHBondContact NE2-OD1 3.15Å; P674-N677 PolarHBondContact O-N 3.2Å; N677-D698 VanDerWaalsContact C-CG 3.46Å; N677-D698 VanDerWaalsContact C-OD1 3.22Å; N677-D698 VanDerWaalsContact CA-OD2 3.3Å; N677-D698 WeakPolarHBondContact CA-OD2 3.46Å; N677-D698 VanDerWaalsContact O-CG 3.27Å; N677-D698 VanDerWaalsContact O-OD1 3.05Å
678	K	77.4	Confident	68.4	Low	99 Å²	99	58.2 Å²	58.2	43%	0.43	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	18.1	177.3	-59.3	-166.4	-178.1	-166.7	0	112.3	S624 V676 D698 H699 I702	S624-K678 VanDerWaalsContact OG-CB 3.22Å; S624-K678 WeakPolarHBondContact OG-CB 3.37Å; S624-K678 PolarHBondContact OG-O 3Å; V676-K678 PolarHBondContact O-N 2.84Å; K678-D698 PolarHBondContact N-OD1 3.49Å; K678-H699 WeakPolarHBondContact CE-NE2 3.31Å; K678-H699 PolarHBondContact NZ-NE2 3.38Å; K678-I702 HydrophobicContact CB-CD1 4.06Å; K678-I702 WeakPolarHBondContact O-CD1 3.42Å
679	L	86.9	Confident	71.1	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	27%	0.267	C	S	.	.			trans	-82.3	133.7	-179.1	-86.1	164.3	0	0	0	110.8	N621 I625 V676 R748 W755	N621-L679 HydrophobicContact CB-CD2 3.76Å; I625-L679 HydrophobicContact CD1-CD1 4.23Å; I625-L679 HydrophobicContact CD1-CD2 3.54Å; I625-L679 HydrophobicContact CD1-CG 4.25Å; I625-L679 HydrophobicContact CG1-CD2 4.09Å; I625-L679 HydrophobicContact CG1-CG 4.42Å; V676-L679 HydrophobicContact CB-CD1 4.23Å; V676-L679 HydrophobicContact CG1-CD1 3.89Å; V676-L679 HydrophobicContact CG2-CD1 4.38Å; V676-L679 WeakPolarHBondContact O-CB 3.17Å; V676-L679 PolarHBondContact O-N 2.83Å; V676-L679 VanDerWaalsContact O-N 3.13Å; L679-R748 PolarHBondContact O-NH1 3.33Å; L679-R748 PolarHBondContact O-NH2 2.84Å; L679-W755 HydrophobicContact CD1-CD2 4.18Å; L679-W755 HydrophobicContact CD1-CE3 4.36Å; L679-W755 HydrophobicContact CD1-CH2 4.15Å; L679-W755 HydrophobicContact CD1-CZ2 4.01Å; L679-W755 HydrophobicContact CD1-CZ3 4.34Å; L679-W755 HydrophobicContact CD2-CB 4.46Å; L679-W755 HydrophobicContact CD2-CD2 4.27Å; L679-W755 HydrophobicContact CD2-CE3 4.37Å; L679-W755 HydrophobicContact CD2-CG 4.35Å
680	I	92.4	Very high	74	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.235	C	C	.	.			trans	-91.5	116.2	166.7	-50.9	166.4	0	0	0	107.4	F616 V617 N621 L695 E696 I702 L706	F616-I680 HydrophobicContact CD1-CD1 4.02Å; F616-I680 HydrophobicContact CE1-CD1 3.76Å; V617-I680 HydrophobicContact CG1-CB 4.3Å; V617-I680 HydrophobicContact CG1-CG2 4.36Å; V617-I680 HydrophobicContact CG2-CD1 4.32Å; V617-I680 HydrophobicContact CG2-CG2 4.05Å; N621-I680 PolarHBondContact ND2-O 3.09Å; N621-I680 WeakPolarHBondContact OD1-CB 3.05Å; N621-I680 PolarHBondContact OD1-N 2.9Å; I680-L695 HydrophobicContact CG2-CB 4.13Å; I680-L695 HydrophobicContact CG2-CD1 4.32Å; I680-L695 HydrophobicContact CG2-CD2 4.25Å; I680-L695 HydrophobicContact CG2-CG 4.46Å; I680-E696 WeakPolarHBondContact CA-O 3.5Å; I680-I702 HydrophobicContact CD1-CG2 3.41Å; I680-I702 VanDerWaalsContact CD1-CG2 3.41Å; I680-I702 HydrophobicContact CG1-CG2 3.59Å; I680-L706 HydrophobicContact CD1-CD1 4.18Å; I680-L706 HydrophobicContact CG2-CD1 4.49Å
681	T	90.8	Very high	76.9	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	157.6	176.3	51.6	0	0	0	0	110.2	L695 E696 R748	T681-L695 CarbonylContact O-C 3.28Å; T681-L695 WeakPolarHBondContact O-CA 3.36Å; T681-E696 PolarHBondContact N-O 3.47Å; T681-E696 PolarHBondContact O-N 3.18Å; T681-E696 VanDerWaalsContact OG1-CD 3.31Å; T681-E696 WeakPolarHBondContact OG1-CG 3.43Å; T681-E696 PolarHBondContact OG1-OE1 2.84Å; T681-R748 PolarHBondContact OG1-NH1 3.26Å
682	G	89.9	Confident	79.4	Confident	7 Å²	7	32.5 Å²	32.5	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-166.7	-173.4	0	0	0	0	0	113.5	I694	G682-I694 CarbonylContact C-O 3.53Å; G682-I694 WeakPolarHBondContact CA-O 3.41Å
683	F	91.1	Very high	81.8	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.5	177.3	66.9	-89.7	0	0	0	111.7	L685 L692 I693 I694 Y750 L753 Y760 F820	F683-L685 HydrophobicContact CD2-CB 4.44Å; F683-L685 HydrophobicContact CE2-CB 4.35Å; F683-L692 HydrophobicContact CE2-CD2 4.44Å; F683-I693 WeakPolarHBondContact O-CA 3.31Å; F683-I694 HydrophobicContact CD1-CB 4.28Å; F683-I694 HydrophobicContact CE1-CB 3.8Å; F683-I694 HydrophobicContact CE1-CD1 3.86Å; F683-I694 HydrophobicContact CE1-CG1 4.04Å; F683-I694 HydrophobicContact CE1-CG2 4.44Å; F683-I694 HydrophobicContact CE2-CD1 4.41Å; F683-I694 HydrophobicContact CE2-CG1 4.34Å; F683-I694 HydrophobicContact CZ-CB 4.03Å; F683-I694 HydrophobicContact CZ-CD1 3.48Å; F683-I694 VanDerWaalsContact CZ-CD1 3.48Å; F683-I694 HydrophobicContact CZ-CG1 3.75Å; F683-I694 PolarHBondContact N-O 2.94Å; F683-I694 PolarHBondContact O-N 3.32Å; F683-Y750 HydrophobicContact CD1-CD1 4.18Å; F683-Y750 AromaticContact CD1-CE1 3.95Å; F683-Y750 HydrophobicContact CD1-CE1 3.95Å; F683-Y750 HydrophobicContact CE1-CD1 4.44Å; F683-Y750 AromaticContact CE1-CE1 3.75Å; F683-Y750 HydrophobicContact CE1-CE1 3.75Å; F683-Y750 AromaticContact CE1-CZ 3.84Å; F683-L753 HydrophobicContact CB-CD1 4.17Å; F683-L753 HydrophobicContact CD1-CD1 4.47Å; F683-Y760 HydrophobicContact CB-CD2 4.23Å; F683-Y760 HydrophobicContact CB-CE2 3.99Å; F683-F820 HydrophobicContact CE1-CB 3.57Å; F683-F820 HydrophobicContact CE1-CG 4.33Å; F683-F820 HydrophobicContact CZ-CB 3.61Å; F683-F820 HydrophobicContact CZ-CD2 4.26Å; F683-F820 AromaticContact CZ-CG 3.95Å; F683-F820 HydrophobicContact CZ-CG 3.95Å
684	Y	93.3	Very high	83.9	Confident	12 Å²	12	25.2 Å²	25.2	5%	0.047	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.1	174	165.6	-144.3	0	0	0	109.9	I610 N686 N691 L692 I693 L757 E759 Y760	I610-Y684 HydrophobicContact CG2-CD1 4.49Å; I610-Y684 HydrophobicContact CG2-CE1 3.87Å; Y684-N686 HydrophobicContact CE2-CB 3.99Å; Y684-N691 HydrophobicContact CE2-CB 3.82Å; Y684-N691 PolarHBondContact OH-OD1 2.9Å; Y684-L692 WeakPolarHBondContact CA-O 3.33Å; Y684-I693 HydrophobicContact CD2-CD1 4.34Å; Y684-I693 HydrophobicContact CD2-CG1 3.65Å; Y684-I693 HydrophobicContact CE2-CG1 4.42Å; Y684-I693 HydrophobicContact CG-CG1 4.11Å; Y684-L757 HydrophobicContact CD1-CD2 4.42Å; Y684-L757 HydrophobicContact CG-CD2 4.15Å; Y684-E759 HydrophobicContact CD1-CB 3.7Å; Y684-E759 HydrophobicContact CD1-CG 3.86Å; Y684-E759 HydrophobicContact CE1-CB 3.78Å; Y684-E759 HydrophobicContact CE1-CG 3.54Å; Y684-Y760 WeakPolarHBondContact O-CD2 3.06Å; Y684-Y760 PolarHBondContact O-N 3.5Å
685	L	92.6	Very high	86	Confident	9 Å²	9	21.4 Å²	21.4	5%	0.047	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.4	174.4	-173.7	76.5	0	0	0	109.5	F683 L692 Y760 M762 I766 F788 I792	F683-L685 HydrophobicContact CD2-CB 4.44Å; F683-L685 HydrophobicContact CE2-CB 4.35Å; L685-L692 HydrophobicContact CB-CB 4.26Å; L685-L692 HydrophobicContact CD2-CD2 4.39Å; L685-L692 PolarHBondContact N-O 2.84Å; L685-L692 PolarHBondContact O-N 3.47Å; L685-Y760 WeakPolarHBondContact CA-O 3.5Å; L685-M762 HydrophobicContact CD1-CG 3.83Å; L685-M762 HydrophobicContact CD1-SD 3.82Å; L685-M762 HydrophobicContact CG-CG 4.2Å; L685-I766 HydrophobicContact CD2-CD1 4.09Å; L685-F788 HydrophobicContact CD2-CZ 4.48Å; L685-I792 HydrophobicContact CD2-CD1 3.55Å
686	N	92.3	Very high	87.9	Confident	17 Å²	17	19.4 Å²	19.4	9%	0.091	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.8	176.3	-177.7	6.4	0	0	0	109.4	K595 Y684 N691 E759 Y760 K761 M762	K595-N686 WeakPolarHBondContact CE-OD1 2.98Å; K595-N686 PolarHBondContact NZ-OD1 3.28Å; Y684-N686 HydrophobicContact CE2-CB 3.99Å; N686-N691 PolarHBondContact OD1-OD1 3.25Å; N686-E759 HydrophobicContact CB-CG 3.92Å; N686-E759 PolarHBondContact ND2-OE1 3.14Å; N686-Y760 PolarHBondContact N-O 3.43Å; N686-K761 WeakPolarHBondContact O-CA 3.49Å; N686-M762 PolarHBondContact O-N 3.11Å
687	D	91.6	Very high	89.3	Confident	3 Å²	3	18.4 Å²	18.4	2%	0.016	9%	0.09	C	C	.	.			trans	-99.1	167.6	173.1	-167.3	57.3	0	0	0	110.7	K595 D689 F690 M762 P765 I766	K595-D687 WeakPolarHBondContact CE-O 3.46Å; K595-D687 PolarHBondContact NZ-O 2.73Å; D687-D689 VanDerWaalsContact C-N 3.33Å; D687-D689 PolarHBondContact O-N 2.83Å; D687-F690 CarbonylContact C-O 3.43Å; D687-F690 WeakPolarHBondContact CA-O 3.46Å; D687-F690 HydrophobicContact CB-CD1 3.84Å; D687-F690 HydrophobicContact CB-CE1 3.67Å; D687-F690 HydrophobicContact CB-CG 4.47Å; D687-F690 HydrophobicContact CB-CZ 4.16Å; D687-F690 WeakPolarHBondContact CB-O 3.42Å; D687-F690 PolarHBondContact N-O 3.38Å; D687-F690 WeakPolarHBondContact OD2-CE1 3.3Å; D687-M762 HydrophobicContact CB-CG 4.47Å; D687-P765 VanDerWaalsContact OD1-CA 3.25Å; D687-P765 WeakPolarHBondContact OD1-CA 3.44Å; D687-I766 PolarHBondContact OD1-N 3.02Å; D687-I766 PolarHBondContact OD2-N 3.38Å
688	E	89.7	Confident	90.3	Very high	127 Å²	127	16.6 Å²	16.6	59%	0.593	8%	0.08	S	C	*	.	S	Bend	trans	-61.2	-41.9	177.3	-173.3	178.1	173.1	0	0	112.2	K595 P765	K595-E688 WeakPolarHBondContact CD-O 3.28Å; E688-P765 HydrophobicContact CB-CB 3.82Å; E688-P765 HydrophobicContact CB-CG 3.78Å; E688-P765 WeakPolarHBondContact OE2-CG 3.27Å
689	D	89.2	Confident	90.7	Very high	29 Å²	29	13.7 Å²	13.7	16%	0.155	7%	0.068	C	C	.	.	S	Bend	trans	-92	-21.3	-173.1	-59.8	-29.9	0	0	0	113.5	K595 D687 K767 R796	K595-D689 WeakPolarHBondContact CB-O 3.16Å; K595-D689 PolarHBondContact N-O 2.91Å; D687-D689 VanDerWaalsContact C-N 3.33Å; D687-D689 PolarHBondContact O-N 2.83Å; D689-K767 VanDerWaalsContact OD2-CB 3.24Å; D689-K767 WeakPolarHBondContact OD2-CB 3.38Å; D689-K767 WeakPolarHBondContact OD2-CD 3.37Å; D689-R796 IonicContact OD2-NH1 2.69Å
690	F	92	Very high	90.6	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	164.7	-173.1	70.3	-74.7	0	0	0	112.8	I592 L593 D687 L692 I766 I792	I592-F690 HydrophobicContact CG2-CD2 4.34Å; L593-F690 CarbonylContact O-C 3.5Å; L593-F690 VanDerWaalsContact O-CA 3.29Å; L593-F690 WeakPolarHBondContact O-CA 3.5Å; D687-F690 CarbonylContact C-O 3.43Å; D687-F690 WeakPolarHBondContact CA-O 3.46Å; D687-F690 HydrophobicContact CB-CD1 3.84Å; D687-F690 HydrophobicContact CB-CE1 3.67Å; D687-F690 HydrophobicContact CB-CG 4.47Å; D687-F690 HydrophobicContact CB-CZ 4.16Å; D687-F690 WeakPolarHBondContact CB-O 3.42Å; D687-F690 PolarHBondContact N-O 3.38Å; D687-F690 WeakPolarHBondContact OD2-CE1 3.3Å; F690-L692 HydrophobicContact CD2-CB 4.25Å; F690-L692 HydrophobicContact CE2-CB 3.95Å; F690-I766 HydrophobicContact CE1-CB 4.41Å; F690-I766 HydrophobicContact CE1-CD1 4.23Å; F690-I766 HydrophobicContact CZ-CD1 3.82Å; F690-I792 HydrophobicContact CE2-CG2 3.84Å; F690-I792 HydrophobicContact CZ-CG2 3.52Å
691	N	92.9	Very high	90.3	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132	171.9	-59.1	-75.8	0	0	0	109.1	I592 L593 K595 I610 Y684 N686	I592-N691 WeakPolarHBondContact CA-O 3.26Å; L593-N691 HydrophobicContact CB-CB 4.21Å; L593-N691 HydrophobicContact CD1-CB 4.48Å; L593-N691 PolarHBondContact N-O 3.19Å; L593-N691 PolarHBondContact O-N 2.93Å; K595-N691 VanDerWaalsContact CE-ND2 3.31Å; K595-N691 WeakPolarHBondContact CE-ND2 3.34Å; K595-N691 WeakPolarHBondContact CE-OD1 3.44Å; I610-N691 HydrophobicContact CD1-CB 3.81Å; I610-N691 VanDerWaalsContact CD1-CG 3.44Å; Y684-N691 HydrophobicContact CE2-CB 3.82Å; Y684-N691 PolarHBondContact OH-OD1 2.9Å; N686-N691 PolarHBondContact OD1-OD1 3.25Å
692	L	92.8	Very high	90.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.2	175.7	171.8	68.4	0	0	0	109.4	V590 F591 I592 F683 Y684 L685 F690 I694 I792 L795	V590-L692 HydrophobicContact CG1-CD1 3.59Å; F591-L692 WeakPolarHBondContact O-CA 3.3Å; I592-L692 HydrophobicContact CG1-CD1 4.01Å; F683-L692 HydrophobicContact CE2-CD2 4.44Å; Y684-L692 WeakPolarHBondContact CA-O 3.33Å; L685-L692 HydrophobicContact CB-CB 4.26Å; L685-L692 HydrophobicContact CD2-CD2 4.39Å; L685-L692 PolarHBondContact N-O 2.84Å; L685-L692 PolarHBondContact O-N 3.47Å; F690-L692 HydrophobicContact CD2-CB 4.25Å; F690-L692 HydrophobicContact CE2-CB 3.95Å; L692-I694 HydrophobicContact CD1-CD1 4.48Å; L692-I694 HydrophobicContact CD1-CG1 4.11Å; L692-I694 HydrophobicContact CD2-CD1 4.46Å; L692-I694 HydrophobicContact CG-CG1 4.23Å; L692-I792 HydrophobicContact CD2-CD1 4.22Å; L692-I792 HydrophobicContact CD2-CG1 3.95Å; L692-I792 HydrophobicContact CD2-CG2 4.29Å; L692-L795 HydrophobicContact CD1-CD2 3.75Å
693	I	93.7	Very high	90.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	174	-57.1	171.2	0	0	0	107.9	V590 F591 I610 I613 F683 Y684 L695 L757	V590-I693 WeakPolarHBondContact CA-O 3.32Å; F591-I693 HydrophobicContact CB-CB 4.14Å; F591-I693 HydrophobicContact CD2-CB 4.09Å; F591-I693 HydrophobicContact CD2-CG2 4.12Å; F591-I693 PolarHBondContact N-O 3.18Å; F591-I693 PolarHBondContact O-N 3.16Å; I610-I693 HydrophobicContact CG1-CD1 4.36Å; I610-I693 HydrophobicContact CG2-CD1 4.46Å; I613-I693 HydrophobicContact CD1-CD1 4.22Å; I613-I693 HydrophobicContact CG2-CD1 4.32Å; F683-I693 WeakPolarHBondContact O-CA 3.31Å; Y684-I693 HydrophobicContact CD2-CD1 4.34Å; Y684-I693 HydrophobicContact CD2-CG1 3.65Å; Y684-I693 HydrophobicContact CE2-CG1 4.42Å; Y684-I693 HydrophobicContact CG-CG1 4.11Å; I693-L695 HydrophobicContact CG2-CD1 4.39Å; I693-L695 HydrophobicContact CG2-CD2 3.72Å; I693-L695 HydrophobicContact CG2-CG 3.86Å; I693-L757 HydrophobicContact CD1-CD2 4.15Å; I693-L757 HydrophobicContact CG1-CD2 4.28Å; I693-L757 HydrophobicContact CG2-CD1 4.09Å; I693-L757 HydrophobicContact CG2-CD2 3.88Å
694	I	91.8	Very high	90.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.5	172.6	-55.5	-168.2	0	0	0	107.9	M589 V590 G682 F683 L692 Y750 L817 F820	M589-I694 WeakPolarHBondContact O-CA 3.29Å; V590-I694 HydrophobicContact CG1-CG1 4.12Å; V590-I694 HydrophobicContact CG2-CD1 4.45Å; V590-I694 HydrophobicContact CG2-CG1 4.27Å; V590-I694 HydrophobicContact CG2-CG2 4.34Å; G682-I694 CarbonylContact C-O 3.53Å; G682-I694 WeakPolarHBondContact CA-O 3.41Å; F683-I694 HydrophobicContact CD1-CB 4.28Å; F683-I694 HydrophobicContact CE1-CB 3.8Å; F683-I694 HydrophobicContact CE1-CD1 3.86Å; F683-I694 HydrophobicContact CE1-CG1 4.04Å; F683-I694 HydrophobicContact CE1-CG2 4.44Å; F683-I694 HydrophobicContact CE2-CD1 4.41Å; F683-I694 HydrophobicContact CE2-CG1 4.34Å; F683-I694 HydrophobicContact CZ-CB 4.03Å; F683-I694 HydrophobicContact CZ-CD1 3.48Å; F683-I694 VanDerWaalsContact CZ-CD1 3.48Å; F683-I694 HydrophobicContact CZ-CG1 3.75Å; F683-I694 PolarHBondContact N-O 2.94Å; F683-I694 PolarHBondContact O-N 3.32Å; L692-I694 HydrophobicContact CD1-CD1 4.48Å; L692-I694 HydrophobicContact CD1-CG1 4.11Å; L692-I694 HydrophobicContact CD2-CD1 4.46Å; L692-I694 HydrophobicContact CG-CG1 4.23Å; I694-Y750 HydrophobicContact CG2-CE2 3.71Å; I694-L817 HydrophobicContact CD1-CD2 3.81Å; I694-L817 HydrophobicContact CG2-CD2 4.2Å; I694-F820 HydrophobicContact CD1-CD2 3.51Å; I694-F820 HydrophobicContact CD1-CE2 3.81Å; I694-F820 HydrophobicContact CD1-CG 4.38Å
695	L	93	Very high	90.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.9	178.7	-53.9	-178.9	0	0	0	110.3	R588 M589 F591 I613 V617 I680 T681 I693 L706 L757	R588-L695 WeakPolarHBondContact CA-O 2.71Å; M589-L695 HydrophobicContact CB-CB 4.49Å; M589-L695 PolarHBondContact N-O 3.23Å; M589-L695 PolarHBondContact O-N 2.66Å; F591-L695 HydrophobicContact CE2-CD1 3.76Å; F591-L695 HydrophobicContact CE2-CG 4.11Å; F591-L695 HydrophobicContact CZ-CD1 4.49Å; I613-L695 HydrophobicContact CG2-CD1 4.16Å; V617-L695 HydrophobicContact CG2-CD1 4.09Å; V617-L695 HydrophobicContact CG2-CD2 4.24Å; I680-L695 HydrophobicContact CG2-CB 4.13Å; I680-L695 HydrophobicContact CG2-CD1 4.32Å; I680-L695 HydrophobicContact CG2-CD2 4.25Å; I680-L695 HydrophobicContact CG2-CG 4.46Å; T681-L695 CarbonylContact O-C 3.28Å; T681-L695 WeakPolarHBondContact O-CA 3.36Å; I693-L695 HydrophobicContact CG2-CD1 4.39Å; I693-L695 HydrophobicContact CG2-CD2 3.72Å; I693-L695 HydrophobicContact CG2-CG 3.86Å; L695-L706 HydrophobicContact CD1-CD1 3.8Å; L695-L706 HydrophobicContact CD1-CD2 4.16Å; L695-L757 HydrophobicContact CD2-CD1 3.37Å
696	E	90.5	Very high	90.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.3	167.8	76.3	-170.2	162.5	0	0	110.5	I586 E587 R588 I680 T681 R748 L749 Y750	I586-E696 HydrophobicContact CG2-CB 3.72Å; I586-E696 HydrophobicContact CG2-CG 4.19Å; E587-E696 CarbonylContact O-C 3.5Å; E587-E696 WeakPolarHBondContact O-CA 2.92Å; R588-E696 HydrophobicContact CG-CB 3.9Å; R588-E696 IonicContact NE-OE2 2.88Å; I680-E696 WeakPolarHBondContact CA-O 3.5Å; T681-E696 PolarHBondContact N-O 3.47Å; T681-E696 PolarHBondContact O-N 3.18Å; T681-E696 VanDerWaalsContact OG1-CD 3.31Å; T681-E696 WeakPolarHBondContact OG1-CG 3.43Å; T681-E696 PolarHBondContact OG1-OE1 2.84Å; E696-R748 VanDerWaalsContact CD-CG 3.47Å; E696-R748 HydrophobicContact CG-CG 4.18Å; E696-R748 PolarHBondContact O-NH1 2.97Å; E696-R748 WeakPolarHBondContact OE1-CG 3.19Å; E696-L749 PolarHBondContact OE1-N 3.22Å; E696-L749 PolarHBondContact OE2-N 3.26Å; E696-Y750 HydrophobicContact CG-CD2 4.1Å; E696-Y750 WeakPolarHBondContact OE1-CA 3.42Å; E696-Y750 VanDerWaalsContact OE1-CB 3.31Å; E696-Y750 WeakPolarHBondContact OE1-CB 3.41Å; E696-Y750 WeakPolarHBondContact OE1-CD2 3.38Å; E696-Y750 PolarHBondContact OE1-N 2.96Å
697	T	88.9	Confident	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142	-179.2	179	0	0	0	0	109.2	I586 E587 M589 H699	I586-T697 CarbonylContact C-O 3.54Å; I586-T697 WeakPolarHBondContact CA-O 3.28Å; E587-T697 HydrophobicContact CB-CG2 4.4Å; E587-T697 PolarHBondContact N-O 2.96Å; E587-T697 PolarHBondContact O-N 3.03Å; M589-T697 HydrophobicContact CE-CG2 3.58Å; T697-H699 PolarHBondContact OG1-N 2.88Å; T697-H699 PolarHBondContact OG1-O 3.32Å
698	D	83.9	Confident	90	Very high	25 Å²	25	31.7 Å²	31.7	13%	0.134	17%	0.167	C	C	.	.	S	Bend	trans	-92	-0.6	173.1	47.3	1.1	0	0	0	113.1	T585 I586 N677 K678 R748	T585-D698 VanDerWaalsContact O-CA 3.3Å; T585-D698 WeakPolarHBondContact O-CA 3.25Å; I586-D698 HydrophobicContact CG1-CB 4.27Å; N677-D698 VanDerWaalsContact C-CG 3.46Å; N677-D698 VanDerWaalsContact C-OD1 3.22Å; N677-D698 VanDerWaalsContact CA-OD2 3.3Å; N677-D698 WeakPolarHBondContact CA-OD2 3.46Å; N677-D698 VanDerWaalsContact O-CG 3.27Å; N677-D698 VanDerWaalsContact O-OD1 3.05Å; K678-D698 PolarHBondContact N-OD1 3.49Å; D698-R748 IonicContact OD1-NH2 3.7Å; D698-R748 PolarHBondContact OD1-NH2 2.87Å; D698-R748 IonicContact OD2-CZ 2.85Å; D698-R748 IonicContact OD2-NH2 3.3Å; D698-R748 PolarHBondContact OD2-NH2 3Å
699	H	85.5	Confident	90.1	Very high	38 Å²	38	27.2 Å²	27.2	18%	0.176	15%	0.147	C	C	.	.			trans	-114.1	117	-179.4	-157.2	-76.4	0	0	0	111.5	K678 T697 D701 I702 S703	K678-H699 WeakPolarHBondContact CE-NE2 3.31Å; K678-H699 PolarHBondContact NZ-NE2 3.38Å; T697-H699 PolarHBondContact OG1-N 2.88Å; T697-H699 PolarHBondContact OG1-O 3.32Å; H699-D701 IonicContact CE1-OD2 2.72Å; H699-D701 PolarHBondContact CE1-OD2 3.35Å; H699-D701 VanDerWaalsContact CE1-OD2 3.26Å; H699-D701 PolarHBondContact ND1-N 3.37Å; H699-D701 IonicContact ND1-OD2 3.03Å; H699-D701 PolarHBondContact O-N 3.42Å; H699-I702 HydrophobicContact CB-CB 4.14Å; H699-I702 HydrophobicContact CB-CD1 3.75Å; H699-I702 HydrophobicContact CB-CG1 3.87Å; H699-I702 PolarHBondContact O-N 3.07Å; H699-S703 PolarHBondContact O-N 3.08Å
700	H	84	Confident	90.1	Very high	62 Å²	62	26.3 Å²	26.3	29%	0.287	14%	0.142	S	C	.	.	H	α-helix	trans	-61.4	-42.6	-177	-171	64.2	0	0	0	112.5	E587 I702 S703 Q704	E587-H700 IonicContact OE1-CE1 3.98Å; E587-H700 PolarHBondContact OE1-CE1 3.27Å; E587-H700 IonicContact OE1-CG 2.9Å; E587-H700 IonicContact OE1-ND1 3.89Å; E587-H700 PolarHBondContact OE1-ND1 2.85Å; E587-H700 IonicContact OE2-ND1 3.26Å; H700-I702 VanDerWaalsContact C-N 3.28Å; H700-I702 PolarHBondContact O-N 2.92Å; H700-S703 CarbonylContact O-C 3.57Å; H700-S703 WeakPolarHBondContact O-CA 3.45Å; H700-S703 WeakPolarHBondContact O-CB 3.36Å; H700-S703 PolarHBondContact O-N 2.81Å; H700-Q704 PolarHBondContact CD2-NE2 3.29Å; H700-Q704 VanDerWaalsContact CD2-NE2 3.3Å; H700-Q704 PolarHBondContact NE2-NE2 2.81Å; H700-Q704 PolarHBondContact O-N 2.88Å
701	D	86.9	Confident	89.8	Confident	90 Å²	90	29.8 Å²	29.8	48%	0.481	16%	0.16	S	C	.	.	H	α-helix	trans	-64.2	-33.8	-179.8	-55.1	-23.6	0	0	0	112.8	H699 S703 Q704 S705	H699-D701 IonicContact CE1-OD2 2.72Å; H699-D701 PolarHBondContact CE1-OD2 3.35Å; H699-D701 VanDerWaalsContact CE1-OD2 3.26Å; H699-D701 PolarHBondContact ND1-N 3.37Å; H699-D701 IonicContact ND1-OD2 3.03Å; H699-D701 PolarHBondContact O-N 3.42Å; D701-S703 VanDerWaalsContact C-N 3.31Å; D701-Q704 PolarHBondContact O-N 2.98Å; D701-S705 VanDerWaalsContact O-CB 3.28Å; D701-S705 WeakPolarHBondContact O-CB 3.35Å; D701-S705 PolarHBondContact O-N 3.11Å; D701-S705 PolarHBondContact O-OG 2.89Å
702	I	89.5	Confident	89.6	Confident	17 Å²	17	34.9 Å²	34.9	9%	0.087	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-41.6	175.8	-65.6	-177.4	0	0	0	109.2	F616 K678 I680 H699 H700 S705 L706	F616-I702 HydrophobicContact CE1-CG2 3.96Å; F616-I702 HydrophobicContact CZ-CG2 4.39Å; K678-I702 HydrophobicContact CB-CD1 4.06Å; K678-I702 WeakPolarHBondContact O-CD1 3.42Å; I680-I702 HydrophobicContact CD1-CG2 3.41Å; I680-I702 VanDerWaalsContact CD1-CG2 3.41Å; I680-I702 HydrophobicContact CG1-CG2 3.59Å; H699-I702 HydrophobicContact CB-CB 4.14Å; H699-I702 HydrophobicContact CB-CD1 3.75Å; H699-I702 HydrophobicContact CB-CG1 3.87Å; H699-I702 PolarHBondContact O-N 3.07Å; H700-I702 VanDerWaalsContact C-N 3.28Å; H700-I702 PolarHBondContact O-N 2.92Å; I702-S705 PolarHBondContact O-N 3.4Å; I702-L706 HydrophobicContact CG2-CD1 4.5Å; I702-L706 PolarHBondContact O-N 3.23Å
703	S	89	Confident	89.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-45.1	175.6	-169.2	0	0	0	0	113	E587 M589 H699 H700 D701 S705 L706 E707 K739	E587-S703 WeakPolarHBondContact OE2-CB 3.43Å; E587-S703 PolarHBondContact OE2-OG 2.91Å; M589-S703 WeakPolarHBondContact CE-OG 3.47Å; H699-S703 PolarHBondContact O-N 3.08Å; H700-S703 CarbonylContact O-C 3.57Å; H700-S703 WeakPolarHBondContact O-CA 3.45Å; H700-S703 WeakPolarHBondContact O-CB 3.36Å; H700-S703 PolarHBondContact O-N 2.81Å; D701-S703 VanDerWaalsContact C-N 3.31Å; S703-S705 VanDerWaalsContact C-N 3.33Å; S703-L706 PolarHBondContact O-N 2.86Å; S703-E707 WeakPolarHBondContact O-CB 3.44Å; S703-E707 PolarHBondContact O-N 3.34Å; S703-K739 WeakPolarHBondContact OG-CE 3.4Å; S703-K739 PolarHBondContact OG-NZ 3.36Å
704	Q	90.1	Very high	88.7	Confident	92 Å²	92	38 Å²	38	43%	0.43	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-37.7	174	-72	-170.1	-4.5	0	0	112	H700 D701 E707 S708	H700-Q704 PolarHBondContact CD2-NE2 3.29Å; H700-Q704 VanDerWaalsContact CD2-NE2 3.3Å; H700-Q704 PolarHBondContact NE2-NE2 2.81Å; H700-Q704 PolarHBondContact O-N 2.88Å; D701-Q704 PolarHBondContact O-N 2.98Å; Q704-E707 PolarHBondContact O-N 2.9Å; Q704-S708 WeakPolarHBondContact O-CB 3.36Å; Q704-S708 PolarHBondContact O-N 3.26Å; Q704-S708 PolarHBondContact O-OG 3.23Å
705	S	92.9	Very high	88.3	Confident	56 Å²	56	42 Å²	42	39%	0.392	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-42.4	177.1	-62.8	0	0	0	0	111.6	D701 I702 S703 S708 L709	D701-S705 VanDerWaalsContact O-CB 3.28Å; D701-S705 WeakPolarHBondContact O-CB 3.35Å; D701-S705 PolarHBondContact O-N 3.11Å; D701-S705 PolarHBondContact O-OG 2.89Å; I702-S705 PolarHBondContact O-N 3.4Å; S703-S705 VanDerWaalsContact C-N 3.33Å; S705-S708 PolarHBondContact O-N 3.46Å; S705-L709 VanDerWaalsContact O-CB 3.29Å; S705-L709 WeakPolarHBondContact O-CB 3.41Å; S705-L709 PolarHBondContact O-N 3.46Å
706	L	92.4	Very high	87.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.1	172.8	-88.4	168.9	0	0	0	112	M589 F616 I680 L695 I702 S703 L709 F710	M589-L706 HydrophobicContact CE-CD1 3.72Å; M589-L706 HydrophobicContact SD-CB 4.14Å; M589-L706 HydrophobicContact SD-CD1 4.25Å; F616-L706 HydrophobicContact CB-CD2 4.41Å; F616-L706 HydrophobicContact CD1-CD1 4.37Å; F616-L706 HydrophobicContact CD1-CD2 3.38Å; F616-L706 HydrophobicContact CD1-CG 3.63Å; F616-L706 HydrophobicContact CE1-CD1 4.14Å; F616-L706 HydrophobicContact CE1-CD2 3.8Å; F616-L706 HydrophobicContact CE1-CG 3.47Å; F616-L706 VanDerWaalsContact CE1-CG 3.47Å; F616-L706 HydrophobicContact CG-CD2 3.95Å; F616-L706 HydrophobicContact CG-CG 4.48Å; F616-L706 HydrophobicContact CZ-CG 4.17Å; I680-L706 HydrophobicContact CD1-CD1 4.18Å; I680-L706 HydrophobicContact CG2-CD1 4.49Å; L695-L706 HydrophobicContact CD1-CD1 3.8Å; L695-L706 HydrophobicContact CD1-CD2 4.16Å; I702-L706 HydrophobicContact CG2-CD1 4.5Å; I702-L706 PolarHBondContact O-N 3.23Å; S703-L706 PolarHBondContact O-N 2.86Å; L706-L709 PolarHBondContact O-N 2.8Å; L706-F710 WeakPolarHBondContact O-CB 3.13Å; L706-F710 PolarHBondContact O-N 2.84Å
707	E	90.2	Very high	87	Confident	50 Å²	50	46.4 Å²	46.4	23%	0.234	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-45.3	177	178.6	166.2	-166.7	0	0	111.4	S703 Q704 F710 I711 F737 K739	S703-E707 WeakPolarHBondContact O-CB 3.44Å; S703-E707 PolarHBondContact O-N 3.34Å; Q704-E707 PolarHBondContact O-N 2.9Å; E707-F710 PolarHBondContact O-N 2.81Å; E707-I711 HydrophobicContact CG-CD1 3.88Å; E707-I711 WeakPolarHBondContact O-CB 3.25Å; E707-I711 VanDerWaalsContact O-CG1 3.25Å; E707-I711 WeakPolarHBondContact O-CG1 3.49Å; E707-I711 PolarHBondContact O-N 3.02Å; E707-F737 HydrophobicContact CB-CE1 4.27Å; E707-F737 HydrophobicContact CB-CZ 4.09Å; E707-F737 HydrophobicContact CG-CE1 3.73Å; E707-F737 HydrophobicContact CG-CZ 4.06Å; E707-K739 IonicContact OE2-NZ 2.78Å; E707-K739 PolarHBondContact OE2-NZ 3.14Å
708	S	91.5	Very high	86.3	Confident	74 Å²	74	48.8 Å²	48.8	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-45.1	176.5	-58.9	0	0	0	0	112	Q704 S705 F710 I711 E712	Q704-S708 WeakPolarHBondContact O-CB 3.36Å; Q704-S708 PolarHBondContact O-N 3.26Å; Q704-S708 PolarHBondContact O-OG 3.23Å; S705-S708 PolarHBondContact O-N 3.46Å; S708-F710 VanDerWaalsContact C-N 3.29Å; S708-F710 PolarHBondContact O-N 2.83Å; S708-I711 PolarHBondContact O-N 2.77Å; S708-E712 WeakPolarHBondContact O-CB 3.43Å; S708-E712 PolarHBondContact O-N 3.42Å
709	L	92.2	Very high	85.8	Confident	32 Å²	32	53.8 Å²	53.8	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-45.6	174.7	-179.4	81.8	0	0	0	110.8	K612 I613 F616 S705 L706 C713	K612-L709 HydrophobicContact CB-CD2 4.39Å; K612-L709 HydrophobicContact CD-CD1 4.5Å; I613-L709 HydrophobicContact CG1-CD2 4.47Å; F616-L709 HydrophobicContact CB-CD2 3.85Å; F616-L709 HydrophobicContact CD2-CD2 4.14Å; F616-L709 HydrophobicContact CG-CD2 4.14Å; S705-L709 VanDerWaalsContact O-CB 3.29Å; S705-L709 WeakPolarHBondContact O-CB 3.41Å; S705-L709 PolarHBondContact O-N 3.46Å; L706-L709 PolarHBondContact O-N 2.8Å; L709-C713 PolarHBondContact O-N 2.91Å; L709-C713 VanDerWaalsContact O-N 3.14Å; L709-C713 PolarHBondContact O-SG 2.69Å
710	F	88.8	Confident	85	Confident	11 Å²	11	53.2 Å²	53.2	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-46.7	178.9	179.8	-94.2	0	0	0	111.8	F591 L593 I609 I613 L706 E707 S708 E712 C713 F714 I735 F737	F591-F710 AromaticContact CD1-CD2 3.46Å; F591-F710 HydrophobicContact CD1-CD2 3.46Å; F591-F710 VanDerWaalsContact CD1-CD2 3.46Å; F591-F710 AromaticContact CD1-CE2 3.6Å; F591-F710 HydrophobicContact CD1-CE2 3.6Å; F591-F710 HydrophobicContact CD1-CG 4.04Å; F591-F710 HydrophobicContact CD1-CZ 4.3Å; F591-F710 HydrophobicContact CE1-CB 3.95Å; F591-F710 AromaticContact CE1-CD2 3.62Å; F591-F710 HydrophobicContact CE1-CD2 3.62Å; F591-F710 HydrophobicContact CE1-CE2 4.21Å; F591-F710 AromaticContact CE1-CG 3.79Å; F591-F710 HydrophobicContact CE1-CG 3.79Å; L593-F710 HydrophobicContact CD2-CE2 4.24Å; I609-F710 HydrophobicContact CG2-CD2 4.28Å; I609-F710 HydrophobicContact CG2-CE2 4.38Å; I613-F710 HydrophobicContact CD1-CD2 4.4Å; L706-F710 WeakPolarHBondContact O-CB 3.13Å; L706-F710 PolarHBondContact O-N 2.84Å; E707-F710 PolarHBondContact O-N 2.81Å; S708-F710 VanDerWaalsContact C-N 3.29Å; S708-F710 PolarHBondContact O-N 2.83Å; F710-E712 VanDerWaalsContact C-N 3.33Å; F710-E712 PolarHBondContact O-N 2.83Å; F710-C713 PolarHBondContact O-N 2.88Å; F710-F714 HydrophobicContact CE1-CB 4.27Å; F710-F714 HydrophobicContact CE1-CG 4.48Å; F710-F714 VanDerWaalsContact O-CB 3.24Å; F710-F714 WeakPolarHBondContact O-CB 3.13Å; F710-F714 PolarHBondContact O-N 2.84Å; F710-I735 HydrophobicContact CE1-CG2 4.28Å; F710-I735 HydrophobicContact CE2-CG2 3.92Å; F710-I735 HydrophobicContact CZ-CG2 3.32Å; F710-F737 HydrophobicContact CD1-CB 3.8Å; F710-F737 HydrophobicContact CD1-CD1 4.33Å; F710-F737 HydrophobicContact CD1-CG 4.03Å; F710-F737 HydrophobicContact CE1-CB 3.27Å; F710-F737 HydrophobicContact CE1-CG 4.02Å; F710-F737 HydrophobicContact CE2-CB 4.48Å; F710-F737 HydrophobicContact CZ-CB 3.63Å
711	I	86.3	Confident	84.1	Confident	74 Å²	74	51.4 Å²	51.4	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-43.1	178.2	-70.4	166	0	0	0	110.9	E707 S708 C713 F714 N715	E707-I711 HydrophobicContact CG-CD1 3.88Å; E707-I711 WeakPolarHBondContact O-CB 3.25Å; E707-I711 VanDerWaalsContact O-CG1 3.25Å; E707-I711 WeakPolarHBondContact O-CG1 3.49Å; E707-I711 PolarHBondContact O-N 3.02Å; S708-I711 PolarHBondContact O-N 2.77Å; I711-C713 PolarHBondContact O-N 2.83Å; I711-F714 PolarHBondContact O-N 3.31Å; I711-N715 WeakPolarHBondContact O-CB 3.46Å; I711-N715 VanDerWaalsContact O-CG 3.24Å; I711-N715 PolarHBondContact O-N 3.47Å; I711-N715 PolarHBondContact O-ND2 2.84Å
712	E	87.6	Confident	82.9	Confident	111 Å²	111	55.6 Å²	55.6	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-56.8	-50.4	175.5	-175	-159.4	132.9	0	0	111	K612 S708 F710 F714 N715 K716	K612-E712 IonicContact NZ-OE1 3.79Å; K612-E712 PolarHBondContact NZ-OE1 2.9Å; S708-E712 WeakPolarHBondContact O-CB 3.43Å; S708-E712 PolarHBondContact O-N 3.42Å; F710-E712 VanDerWaalsContact C-N 3.33Å; F710-E712 PolarHBondContact O-N 2.83Å; E712-F714 VanDerWaalsContact C-N 3.34Å; E712-F714 PolarHBondContact O-N 2.99Å; E712-N715 PolarHBondContact O-N 3.29Å; E712-K716 PolarHBondContact O-N 3.47Å; E712-K716 VanDerWaalsContact O-N 3.11Å
713	C	86	Confident	81.4	Confident	7 Å²	7	61.3 Å²	61.3	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-36.8	-179.1	-57.6	0	0	0	0	112.1	I609 K612 L709 F710 I711 K716 Y717	I609-C713 HydrophobicContact CD1-CB 4.46Å; I609-C713 HydrophobicContact CG1-CB 3.65Å; K612-C713 WeakPolarHBondContact CD-SG 3.46Å; L709-C713 PolarHBondContact O-N 2.91Å; L709-C713 VanDerWaalsContact O-N 3.14Å; L709-C713 PolarHBondContact O-SG 2.69Å; F710-C713 PolarHBondContact O-N 2.88Å; I711-C713 PolarHBondContact O-N 2.83Å; C713-K716 PolarHBondContact O-N 2.99Å; C713-Y717 PolarHBondContact O-N 3.29Å
714	F	82.6	Confident	79.7	Confident	58 Å²	58	67.5 Å²	67.5	25%	0.254	33%	0.333	S	S	.	.	H	α-helix	trans	-67.1	-39.4	177.1	-177.8	-111	0	0	0	112.2	F710 I711 E712 Y717 N718 I735	F710-F714 HydrophobicContact CE1-CB 4.27Å; F710-F714 HydrophobicContact CE1-CG 4.48Å; F710-F714 VanDerWaalsContact O-CB 3.24Å; F710-F714 WeakPolarHBondContact O-CB 3.13Å; F710-F714 PolarHBondContact O-N 2.84Å; I711-F714 PolarHBondContact O-N 3.31Å; E712-F714 VanDerWaalsContact C-N 3.34Å; E712-F714 PolarHBondContact O-N 2.99Å; F714-Y717 WeakPolarHBondContact O-CB 3.23Å; F714-Y717 PolarHBondContact O-N 3.21Å; F714-N718 WeakPolarHBondContact CD1-ND2 3.3Å; F714-N718 WeakPolarHBondContact CE1-ND2 3.28Å; F714-N718 WeakPolarHBondContact CZ-ND2 3.38Å; F714-N718 PolarHBondContact O-N 2.89Å; F714-I735 HydrophobicContact CD2-CB 4.01Å; F714-I735 HydrophobicContact CD2-CD1 4.14Å; F714-I735 HydrophobicContact CD2-CG2 3.68Å; F714-I735 HydrophobicContact CE2-CB 3.82Å; F714-I735 HydrophobicContact CE2-CD1 4.45Å; F714-I735 HydrophobicContact CE2-CG2 3.92Å
715	N	81.5	Confident	77.8	Confident	83 Å²	83	68.9 Å²	68.9	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-44.7	174.5	-74.2	-21.4	0	0	0	111.2	I711 E712 Y717 N718 E719	I711-N715 WeakPolarHBondContact O-CB 3.46Å; I711-N715 VanDerWaalsContact O-CG 3.24Å; I711-N715 PolarHBondContact O-N 3.47Å; I711-N715 PolarHBondContact O-ND2 2.84Å; E712-N715 PolarHBondContact O-N 3.29Å; N715-Y717 VanDerWaalsContact C-N 3.27Å; N715-Y717 PolarHBondContact O-N 2.9Å; N715-N718 PolarHBondContact O-N 3.28Å; N715-N718 VanDerWaalsContact O-N 3.12Å; N715-E719 WeakPolarHBondContact O-CG 3.44Å; N715-E719 PolarHBondContact O-N 2.89Å
716	K	80	Confident	75.7	Confident	82 Å²	82	69.4 Å²	69.4	36%	0.357	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-40.5	174.6	-165.5	-168.8	179.2	-161	0	111.7	Y605 E608 E712 C713 Y720	Y605-K716 HydrophobicContact CE1-CD 3.93Å; Y605-K716 HydrophobicContact CE1-CG 3.95Å; E608-K716 VanDerWaalsContact CD-NZ 3.27Å; E608-K716 IonicContact OE1-NZ 2.94Å; E608-K716 PolarHBondContact OE1-NZ 2.78Å; E608-K716 IonicContact OE2-NZ 3.88Å; E608-K716 PolarHBondContact OE2-NZ 3.27Å; E712-K716 PolarHBondContact O-N 3.47Å; E712-K716 VanDerWaalsContact O-N 3.11Å; C713-K716 PolarHBondContact O-N 2.99Å; K716-Y720 PolarHBondContact O-N 2.73Å
717	Y	77.6	Confident	73.3	Confident	11 Å²	11	74.3 Å²	74.3	4%	0.043	37%	0.373	C	S	.	.	H	α-helix	trans	-64.7	-45.4	173.8	174.6	-92.3	0	0	0	112.3	E602 Y605 C713 F714 N715 Y720 S721 N734 I735	E602-Y717 HydrophobicContact CB-CE2 4.27Å; E602-Y717 HydrophobicContact CG-CE2 4.19Å; Y605-Y717 HydrophobicContact CG-CD2 4.29Å; C713-Y717 PolarHBondContact O-N 3.29Å; F714-Y717 WeakPolarHBondContact O-CB 3.23Å; F714-Y717 PolarHBondContact O-N 3.21Å; N715-Y717 VanDerWaalsContact C-N 3.27Å; N715-Y717 PolarHBondContact O-N 2.9Å; Y717-Y720 WeakPolarHBondContact O-CB 3.45Å; Y717-Y720 PolarHBondContact O-N 2.66Å; Y717-S721 WeakPolarHBondContact O-CB 3.44Å; Y717-S721 PolarHBondContact O-N 3.42Å; Y717-N734 PolarHBondContact OH-ND2 3.43Å; Y717-I735 HydrophobicContact CD1-CD1 3.81Å; Y717-I735 HydrophobicContact CD2-CD1 4.21Å; Y717-I735 HydrophobicContact CE1-CD1 3.97Å; Y717-I735 HydrophobicContact CE2-CD1 4.32Å; Y717-I735 HydrophobicContact CG-CD1 3.95Å
718	N	73.5	Confident	70.7	Confident	51 Å²	51	81 Å²	81	27%	0.273	40%	0.401	S	S	.	.	H	α-helix	trans	-69.1	-38.2	-179.6	-79.6	-22.8	0	0	0	113.4	F714 N715 Y720 S721 K722	F714-N718 WeakPolarHBondContact CD1-ND2 3.3Å; F714-N718 WeakPolarHBondContact CE1-ND2 3.28Å; F714-N718 WeakPolarHBondContact CZ-ND2 3.38Å; F714-N718 PolarHBondContact O-N 2.89Å; N715-N718 PolarHBondContact O-N 3.28Å; N715-N718 VanDerWaalsContact O-N 3.12Å; N718-Y720 VanDerWaalsContact C-N 3.29Å; N718-S721 PolarHBondContact O-N 3.21Å; N718-K722 WeakPolarHBondContact O-CB 3.3Å; N718-K722 WeakPolarHBondContact O-CG 3.15Å; N718-K722 PolarHBondContact O-N 3.07Å
719	E	74	Confident	67.8	Low	130 Å²	130	87.1 Å²	87.1	61%	0.607	42%	0.415	S	S	*	.	H	α-helix	trans	-59.5	-45.2	173.5	-76.9	-173.7	161.4	0	0	110.6	N715 K722 L723	N715-E719 WeakPolarHBondContact O-CG 3.44Å; N715-E719 PolarHBondContact O-N 2.89Å; E719-K722 PolarHBondContact O-N 3.43Å; E719-L723 WeakPolarHBondContact O-CB 3.31Å; E719-L723 WeakPolarHBondContact O-CD1 3.47Å; E719-L723 WeakPolarHBondContact O-CG 3.38Å; E719-L723 PolarHBondContact O-N 3.48Å
720	Y	67.7	Low	65.1	Low	25 Å²	25	92.4 Å²	92.4	10%	0.098	44%	0.443	C	S	.	.	H	α-helix	trans	-59.9	-49.9	173.6	-179.5	-89.2	0	0	0	111.6	I601 Y605 K716 Y717 N718 K722 L723 Y724	I601-Y720 HydrophobicContact CB-CE1 4.3Å; I601-Y720 WeakPolarHBondContact CB-OH 3.32Å; I601-Y720 WeakPolarHBondContact CD1-OH 3.5Å; I601-Y720 HydrophobicContact CG2-CD1 4.47Å; I601-Y720 HydrophobicContact CG2-CD2 4.41Å; I601-Y720 HydrophobicContact CG2-CE1 3.7Å; I601-Y720 HydrophobicContact CG2-CE2 3.62Å; I601-Y720 VanDerWaalsContact CG2-OH 3.28Å; I601-Y720 WeakPolarHBondContact CG2-OH 3.1Å; Y605-Y720 HydrophobicContact CD2-CD1 4.36Å; Y605-Y720 HydrophobicContact CD2-CG 4.4Å; Y605-Y720 AromaticContact CE2-CD1 3.96Å; Y605-Y720 HydrophobicContact CE2-CD1 3.96Å; Y605-Y720 AromaticContact CE2-CD2 3.72Å; Y605-Y720 HydrophobicContact CE2-CD2 3.72Å; Y605-Y720 HydrophobicContact CE2-CE1 4.45Å; Y605-Y720 HydrophobicContact CE2-CE2 4.22Å; Y605-Y720 AromaticContact CE2-CG 3.6Å; Y605-Y720 HydrophobicContact CE2-CG 3.6Å; K716-Y720 PolarHBondContact O-N 2.73Å; Y717-Y720 WeakPolarHBondContact O-CB 3.45Å; Y717-Y720 PolarHBondContact O-N 2.66Å; N718-Y720 VanDerWaalsContact C-N 3.29Å; Y720-K722 PolarHBondContact O-N 2.8Å; Y720-L723 PolarHBondContact O-N 3.41Å; Y720-L723 VanDerWaalsContact O-N 3.13Å; Y720-Y724 HydrophobicContact CD1-CD2 4.35Å; Y720-Y724 AromaticContact CD2-CD2 3.61Å; Y720-Y724 HydrophobicContact CD2-CD2 3.61Å; Y720-Y724 AromaticContact CD2-CE2 3.5Å; Y720-Y724 HydrophobicContact CD2-CE2 3.5Å; Y720-Y724 HydrophobicContact CE1-CD2 4.05Å; Y720-Y724 AromaticContact CE2-CD2 3.26Å; Y720-Y724 HydrophobicContact CE2-CD2 3.26Å; Y720-Y724 AromaticContact CE2-CE2 3.1Å; Y720-Y724 HydrophobicContact CE2-CE2 3.1Å; Y720-Y724 HydrophobicContact CE2-CG 4.18Å; Y720-Y724 AromaticContact CE2-CZ 3.9Å; Y720-Y724 HydrophobicContact CG-CD2 4.12Å; Y720-Y724 HydrophobicContact CG-CE2 4.42Å; Y720-Y724 AromaticContact CZ-CD2 3.46Å; Y720-Y724 VanDerWaalsContact CZ-CD2 3.46Å; Y720-Y724 AromaticContact CZ-CE2 3.76Å; Y720-Y724 AromaticContact CZ-CG 3.97Å; Y720-Y724 WeakPolarHBondContact O-CD2 3.23Å; Y720-Y724 PolarHBondContact O-N 2.98Å; Y720-Y724 VanDerWaalsContact O-N 3.07Å
721	S	65.1	Low	62.6	Low	25 Å²	25	99.2 Å²	99.2	18%	0.175	48%	0.48	C	S	.	.	H	α-helix	trans	-60.3	-31.7	179.4	-173.4	0	0	0	0	113.1	Y717 N718	Y717-S721 WeakPolarHBondContact O-CB 3.44Å; Y717-S721 PolarHBondContact O-N 3.42Å; N718-S721 PolarHBondContact O-N 3.21Å
722	K	63.5	Low	60.8	Low	177 Å²	177	101.7 Å²	101.7	77%	0.77	49%	0.494	S	S	*	.	H	α-helix	trans	-75.6	-41.2	173.2	-78.5	179.3	179.6	175.6	0	113	N718 E719 Y720	N718-K722 WeakPolarHBondContact O-CB 3.3Å; N718-K722 WeakPolarHBondContact O-CG 3.15Å; N718-K722 PolarHBondContact O-N 3.07Å; E719-K722 PolarHBondContact O-N 3.43Å; Y720-K722 PolarHBondContact O-N 2.8Å
723	L	56.5	Low	59.4	Low	137 Å²	137	101 Å²	101	72%	0.717	49%	0.494	S	S	*	.	H	α-helix	trans	-67.2	-40.4	-176.5	-88	158.7	0	0	0	112.7	E719 Y720	E719-L723 WeakPolarHBondContact O-CB 3.31Å; E719-L723 WeakPolarHBondContact O-CD1 3.47Å; E719-L723 WeakPolarHBondContact O-CG 3.38Å; E719-L723 PolarHBondContact O-N 3.48Å; Y720-L723 PolarHBondContact O-N 3.41Å; Y720-L723 VanDerWaalsContact O-N 3.13Å
724	Y	54.8	Low	58.9	Low	130 Å²	130	103.2 Å²	103.2	51%	0.51	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	101.5	174.6	-63.7	-90.4	0	0	0	106.5	Y720 I726	Y720-Y724 HydrophobicContact CD1-CD2 4.35Å; Y720-Y724 AromaticContact CD2-CD2 3.61Å; Y720-Y724 HydrophobicContact CD2-CD2 3.61Å; Y720-Y724 AromaticContact CD2-CE2 3.5Å; Y720-Y724 HydrophobicContact CD2-CE2 3.5Å; Y720-Y724 HydrophobicContact CE1-CD2 4.05Å; Y720-Y724 AromaticContact CE2-CD2 3.26Å; Y720-Y724 HydrophobicContact CE2-CD2 3.26Å; Y720-Y724 AromaticContact CE2-CE2 3.1Å; Y720-Y724 HydrophobicContact CE2-CE2 3.1Å; Y720-Y724 HydrophobicContact CE2-CG 4.18Å; Y720-Y724 AromaticContact CE2-CZ 3.9Å; Y720-Y724 HydrophobicContact CG-CD2 4.12Å; Y720-Y724 HydrophobicContact CG-CE2 4.42Å; Y720-Y724 AromaticContact CZ-CD2 3.46Å; Y720-Y724 VanDerWaalsContact CZ-CD2 3.46Å; Y720-Y724 AromaticContact CZ-CE2 3.76Å; Y720-Y724 AromaticContact CZ-CG 3.97Å; Y720-Y724 WeakPolarHBondContact O-CD2 3.23Å; Y720-Y724 PolarHBondContact O-N 2.98Å; Y720-Y724 VanDerWaalsContact O-N 3.07Å; Y724-I726 WeakPolarHBondContact O-CG1 3.32Å; Y724-I726 PolarHBondContact O-N 2.77Å
725	S	49.4	Very low	58.9	Low	122 Å²	122	100.9 Å²	100.9	85%	0.853	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	69.1	-174.2	-56.2	0	0	0	0	114.2
726	I	49.1	Very low	59	Low	67 Å²	67	98.1 Å²	98.1	34%	0.344	48%	0.479	S	S	.	.			trans	-98.4	-12.8	-171.9	-71.1	171.6	0	0	0	111.7	T599 Y724	T599-I726 HydrophobicContact CG2-CD1 4.4Å; Y724-I726 WeakPolarHBondContact O-CG1 3.32Å; Y724-I726 PolarHBondContact O-N 2.77Å
727	H	41.5	Very low	59.4	Low	103 Å²	103	96.4 Å²	96.4	48%	0.477	47%	0.472	S	S	.	.			trans	-130.2	83	175.6	-68.4	-58.6	0	0	0	114.5
728	K	35.2	Very low	59.7	Low	191 Å²	191	96.2 Å²	96.2	83%	0.83	47%	0.472	S	S	*	.	S	Bend	trans	-79.5	115.4	141.6	-113.6	177.7	179.3	174.6	0	105.7
729	Y	31.9	Very low	60.2	Low	202 Å²	202	95 Å²	95	79%	0.792	46%	0.464	S	S	*	.	S	Bend	trans	72.6	82.6	178.4	-54.9	-86.7	0	0	0	116.1
730	N	34	Very low	60.5	Low	143 Å²	143	90.2 Å²	90.2	77%	0.765	44%	0.442	S	S	*	.				-173.4	120.8	116.7	-91.2	-17.3	0	0	0	109.9	N732	N730-N732 PolarHBondContact O-N 2.95Å; N730-N732 VanDerWaalsContact O-N 3.11Å
731	N	37.6	Very low	61	Low	154 Å²	154	92.9 Å²	92.9	82%	0.824	46%	0.458	S	S	*	.			trans	-55.6	111.2	151.7	-73.2	-21.1	0	0	0	106.3
732	N	47.7	Very low	61.5	Low	126 Å²	126	99 Å²	99	67%	0.674	48%	0.482	S	S	*	.			trans	166.3	106.3	140.4	-80.8	-18	0	0	0	112.6	N730 N734	N730-N732 PolarHBondContact O-N 2.95Å; N730-N732 VanDerWaalsContact O-N 3.11Å; N732-N734 PolarHBondContact O-N 2.63Å; N732-N734 VanDerWaalsContact O-N 3.13Å
733	N	58.4	Low	62.2	Low	97 Å²	97	91.6 Å²	91.6	52%	0.519	45%	0.45	S	S	.	.			trans	3.8	84.2	149.6	-59.3	-4.2	0	0	0	118.1	I735 K736	N733-I735 PolarHBondContact O-N 3.3Å; N733-K736 HydrophobicContact CB-CG 3.98Å
734	N	74.3	Confident	63.4	Low	54 Å²	54	85.5 Å²	85.5	29%	0.289	42%	0.419	S	S	.	.	S	Bend	trans	-60.5	-21.2	162.2	-71.4	-3.5	0	0	0	112	E594 Y717 N732	E594-N734 WeakPolarHBondContact CA-O 3.48Å; E594-N734 HydrophobicContact CB-CB 4.24Å; E594-N734 WeakPolarHBondContact CB-O 3.45Å; E594-N734 VanDerWaalsContact CG-O 3.29Å; E594-N734 WeakPolarHBondContact CG-O 3.34Å; E594-N734 PolarHBondContact N-O 3.41Å; Y717-N734 PolarHBondContact OH-ND2 3.43Å; N732-N734 PolarHBondContact O-N 2.63Å; N732-N734 VanDerWaalsContact O-N 3.13Å
735	I	82.9	Confident	64.8	Low	8 Å²	8	79.5 Å²	79.5	4%	0.041	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.5	-177.6	-64	176.6	0	0	0	107.6	I592 L593 I609 F710 F714 Y717 N733	I592-I735 CarbonylContact O-C 3.51Å; I592-I735 WeakPolarHBondContact O-CA 3.3Å; L593-I735 HydrophobicContact CD2-CB 4.13Å; L593-I735 HydrophobicContact CD2-CD1 4.08Å; L593-I735 HydrophobicContact CD2-CG1 3.76Å; L593-I735 HydrophobicContact CD2-CG2 3.58Å; I609-I735 HydrophobicContact CD1-CD1 3.87Å; F710-I735 HydrophobicContact CE1-CG2 4.28Å; F710-I735 HydrophobicContact CE2-CG2 3.92Å; F710-I735 HydrophobicContact CZ-CG2 3.32Å; F714-I735 HydrophobicContact CD2-CB 4.01Å; F714-I735 HydrophobicContact CD2-CD1 4.14Å; F714-I735 HydrophobicContact CD2-CG2 3.68Å; F714-I735 HydrophobicContact CE2-CB 3.82Å; F714-I735 HydrophobicContact CE2-CD1 4.45Å; F714-I735 HydrophobicContact CE2-CG2 3.92Å; Y717-I735 HydrophobicContact CD1-CD1 3.81Å; Y717-I735 HydrophobicContact CD2-CD1 4.21Å; Y717-I735 HydrophobicContact CE1-CD1 3.97Å; Y717-I735 HydrophobicContact CE2-CD1 4.32Å; Y717-I735 HydrophobicContact CG-CD1 3.95Å; N733-I735 PolarHBondContact O-N 3.3Å
736	K	84.9	Confident	66.4	Low	25 Å²	25	74.8 Å²	74.8	11%	0.109	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.8	176	-55.5	179.4	178.6	-175.1	0	109.9	F591 I592 N733 R796	F591-K736 WeakPolarHBondContact CA-O 3.43Å; I592-K736 HydrophobicContact CB-CB 4.16Å; I592-K736 HydrophobicContact CD1-CB 4.17Å; I592-K736 HydrophobicContact CD1-CD 4.08Å; I592-K736 PolarHBondContact N-O 2.95Å; I592-K736 PolarHBondContact O-N 3.38Å; N733-K736 HydrophobicContact CB-CG 3.98Å; K736-R796 PolarHBondContact NZ-O 2.98Å
737	F	86.9	Confident	67.9	Low	47 Å²	47	75.2 Å²	75.2	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.8	167.1	169.1	-118.5	0	0	0	108.4	M589 V590 F591 E707 F710 K739	M589-F737 HydrophobicContact CB-CE2 4.02Å; M589-F737 HydrophobicContact CG-CE2 3.93Å; M589-F737 HydrophobicContact CG-CZ 4.22Å; M589-F737 HydrophobicContact SD-CE2 4.26Å; M589-F737 HydrophobicContact SD-CZ 4.37Å; V590-F737 WeakPolarHBondContact O-CA 3.47Å; F591-F737 HydrophobicContact CD1-CB 4.47Å; F591-F737 AromaticContact CD1-CD2 3.53Å; F591-F737 HydrophobicContact CD1-CD2 3.53Å; F591-F737 HydrophobicContact CD1-CE2 4.17Å; F591-F737 HydrophobicContact CD1-CG 4.38Å; F591-F737 AromaticContact CE1-CD2 3.23Å; F591-F737 HydrophobicContact CE1-CD2 3.23Å; F591-F737 AromaticContact CE1-CE2 3.43Å; F591-F737 HydrophobicContact CE1-CE2 3.43Å; F591-F737 VanDerWaalsContact CE1-CE2 3.43Å; F591-F737 HydrophobicContact CE1-CG 4.21Å; F591-F737 HydrophobicContact CE2-CD2 4.47Å; F591-F737 HydrophobicContact CE2-CE2 4.3Å; F591-F737 HydrophobicContact CG-CD2 4.3Å; F591-F737 AromaticContact CZ-CD2 3.77Å; F591-F737 HydrophobicContact CZ-CD2 3.77Å; F591-F737 AromaticContact CZ-CE2 3.51Å; F591-F737 HydrophobicContact CZ-CE2 3.51Å; E707-F737 HydrophobicContact CB-CE1 4.27Å; E707-F737 HydrophobicContact CB-CZ 4.09Å; E707-F737 HydrophobicContact CG-CE1 3.73Å; E707-F737 HydrophobicContact CG-CZ 4.06Å; F710-F737 HydrophobicContact CD1-CB 3.8Å; F710-F737 HydrophobicContact CD1-CD1 4.33Å; F710-F737 HydrophobicContact CD1-CG 4.03Å; F710-F737 HydrophobicContact CE1-CB 3.27Å; F710-F737 HydrophobicContact CE1-CG 4.02Å; F710-F737 HydrophobicContact CE2-CB 4.48Å; F710-F737 HydrophobicContact CZ-CB 3.63Å; F737-K739 HydrophobicContact CE1-CB 3.91Å; F737-K739 HydrophobicContact CE1-CD 4.38Å; F737-K739 HydrophobicContact CE2-CB 4.15Å; F737-K739 HydrophobicContact CZ-CB 3.6Å; F737-K739 HydrophobicContact CZ-CD 3.82Å; F737-K739 HydrophobicContact CZ-CG 4.33Å
738	L	85.8	Confident	69.9	Low	6 Å²	6	72.2 Å²	72.2	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.6	177.7	-48.4	175.5	0	0	0	107	V590 I592 L795 C799 F800 L802	V590-L738 HydrophobicContact CB-CB 4.21Å; V590-L738 HydrophobicContact CB-CD1 4.48Å; V590-L738 PolarHBondContact N-O 2.83Å; V590-L738 PolarHBondContact O-N 3.34Å; I592-L738 HydrophobicContact CD1-CD1 4.23Å; L738-L795 HydrophobicContact CD1-CG 4.45Å; L738-C799 HydrophobicContact CD1-CB 4.28Å; L738-F800 WeakPolarHBondContact CD2-O 3.29Å; L738-L802 HydrophobicContact CB-CD1 3.61Å; L738-L802 HydrophobicContact CB-CG 4.02Å; L738-L802 WeakPolarHBondContact O-CD1 3.31Å
739	K	83.8	Confident	72.1	Confident	25 Å²	25	64.2 Å²	64.2	11%	0.109	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.2	166.4	-175.4	-177.1	173	-173.9	0	108.8	E587 M589 S703 E707 F737 N741	E587-K739 WeakPolarHBondContact OE2-CE 3.39Å; E587-K739 IonicContact OE2-NZ 2.68Å; E587-K739 PolarHBondContact OE2-NZ 3.37Å; M589-K739 HydrophobicContact CG-CB 4.27Å; M589-K739 HydrophobicContact CG-CD 3.94Å; M589-K739 HydrophobicContact CG-CG 4Å; M589-K739 HydrophobicContact SD-CD 4.35Å; S703-K739 WeakPolarHBondContact OG-CE 3.4Å; S703-K739 PolarHBondContact OG-NZ 3.36Å; E707-K739 IonicContact OE2-NZ 2.78Å; E707-K739 PolarHBondContact OE2-NZ 3.14Å; F737-K739 HydrophobicContact CE1-CB 3.91Å; F737-K739 HydrophobicContact CE1-CD 4.38Å; F737-K739 HydrophobicContact CE2-CB 4.15Å; F737-K739 HydrophobicContact CZ-CB 3.6Å; F737-K739 HydrophobicContact CZ-CD 3.82Å; F737-K739 HydrophobicContact CZ-CG 4.33Å; K739-N741 WeakPolarHBondContact CD-OD1 3.35Å; K739-N741 WeakPolarHBondContact CE-OD1 3.36Å
740	N	79.8	Confident	74.5	Confident	30 Å²	30	54.6 Å²	54.6	16%	0.16	27%	0.273	C	S	.	.			trans	-135.8	103.5	171	-175.9	-11.2	0	0	0	110.7	K742 I743 L802	N740-K742 PolarHBondContact O-N 2.79Å; N740-K742 VanDerWaalsContact O-N 3.1Å; N740-K742 WeakPolarHBondContact OD1-CB 3.38Å; N740-K742 PolarHBondContact OD1-N 3.08Å; N740-I743 HydrophobicContact CB-CD1 4.38Å; N740-I743 HydrophobicContact CB-CG1 4.46Å; N740-I743 VanDerWaalsContact ND2-CD1 3.33Å; N740-I743 WeakPolarHBondContact ND2-CD1 3.45Å; N740-I743 PolarHBondContact O-N 3.08Å; N740-L802 HydrophobicContact CB-CB 4.05Å
741	N	77.8	Confident	76.8	Confident	81 Å²	81	48.7 Å²	48.7	43%	0.433	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.1	-176.6	-53.5	3.5	0	0	0	113	K739	K739-N741 WeakPolarHBondContact CD-OD1 3.35Å; K739-N741 WeakPolarHBondContact CE-OD1 3.36Å
742	K	76.2	Confident	78.6	Confident	154 Å²	154	42.7 Å²	42.7	67%	0.67	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.2	176.4	-59.5	-177.2	179.9	179.1	0	112.5	R423 Q427 N740	R423-K742 PolarHBondContact NH2-O 3.4Å; Q427-K742 PolarHBondContact OE1-O 3.25Å; N740-K742 PolarHBondContact O-N 2.79Å; N740-K742 VanDerWaalsContact O-N 3.1Å; N740-K742 WeakPolarHBondContact OD1-CB 3.38Å; N740-K742 PolarHBondContact OD1-N 3.08Å
743	I	77.8	Confident	80.3	Confident	21 Å²	21	37.1 Å²	37.1	11%	0.108	19%	0.185	C	C	.	.			trans	-104.3	114.9	-179.2	-60.2	175.8	0	0	0	108.2	T428 N740 F745	T428-I743 HydrophobicContact CG2-CG2 3.42Å; T428-I743 VanDerWaalsContact CG2-CG2 3.42Å; N740-I743 HydrophobicContact CB-CD1 4.38Å; N740-I743 HydrophobicContact CB-CG1 4.46Å; N740-I743 VanDerWaalsContact ND2-CD1 3.33Å; N740-I743 WeakPolarHBondContact ND2-CD1 3.45Å; N740-I743 PolarHBondContact O-N 3.08Å; I743-F745 HydrophobicContact CG2-CE1 3.91Å; I743-F745 HydrophobicContact CG2-CE2 4.04Å; I743-F745 HydrophobicContact CG2-CZ 3.55Å
744	L	81.9	Confident	81.6	Confident	10 Å²	10	34.6 Å²	34.6	5%	0.052	17%	0.171	C	C	.	.			trans	-121.6	148.6	-179.2	-61	165.8	0	0	0	108.5	T578 T585 E587	T578-L744 HydrophobicContact CG2-CD1 3.16Å; T578-L744 HydrophobicContact CG2-CG 4.43Å; T585-L744 HydrophobicContact CG2-CB 4.45Å; T585-L744 HydrophobicContact CG2-CD1 4.33Å; E587-L744 HydrophobicContact CG-CD2 3.73Å
745	F	85	Confident	82.2	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.018	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-118.5	148.7	-177.4	-53.7	-80.8	0	0	0	110.7	E424 T428 I586 R588 I743 L813 H814	E424-F745 HydrophobicContact CG-CD1 4.16Å; E424-F745 WeakPolarHBondContact OE1-CD1 3.46Å; T428-F745 HydrophobicContact CG2-CE1 4.08Å; I586-F745 HydrophobicContact CB-CB 4.27Å; I586-F745 WeakPolarHBondContact CB-O 3.37Å; I586-F745 PolarHBondContact N-O 3.22Å; I586-F745 WeakPolarHBondContact O-CD2 3.39Å; I586-F745 PolarHBondContact O-N 2.82Å; R588-F745 HydrophobicContact CB-CD2 4.34Å; R588-F745 HydrophobicContact CB-CE2 3.92Å; R588-F745 HydrophobicContact CG-CD2 3.63Å; R588-F745 HydrophobicContact CG-CE2 3.66Å; I743-F745 HydrophobicContact CG2-CE1 3.91Å; I743-F745 HydrophobicContact CG2-CE2 4.04Å; I743-F745 HydrophobicContact CG2-CZ 3.55Å; F745-L813 HydrophobicContact CZ-CD2 3.92Å; F745-H814 AromaticContact CD1-ND1 3.65Å; F745-H814 HydrophobicContact CE1-CB 4.22Å
746	T	81.9	Confident	82.6	Confident	22 Å²	22	33.6 Å²	33.6	14%	0.135	16%	0.163	C	C	.	.	S	Bend	trans	-98.5	-15.4	-179.9	58.6	0	0	0	0	113.1	L420 Y421 E424 N657	L420-T746 HydrophobicContact CB-CG2 4.44Å; Y421-T746 HydrophobicContact CD2-CG2 3.97Å; Y421-T746 WeakPolarHBondContact CD2-OG1 3.42Å; Y421-T746 HydrophobicContact CG-CG2 4.38Å; E424-T746 WeakPolarHBondContact OE2-CB 3.19Å; E424-T746 WeakPolarHBondContact OE2-CG2 3.17Å; E424-T746 PolarHBondContact OE2-N 3.29Å; E424-T746 PolarHBondContact OE2-OG1 3Å; N657-T746 PolarHBondContact ND2-O 2.95Å
747	K	79.6	Confident	82.8	Confident	77 Å²	77	33 Å²	33	34%	0.335	16%	0.161	S	C	.	.	S	Bend	trans	-120.2	128.1	-178	-66.9	179.6	-176.7	171.2	0	111.2	D389 I586 R588	D389-K747 IonicContact OD2-NZ 3.45Å; D389-K747 PolarHBondContact OD2-NZ 2.69Å; I586-K747 VanDerWaalsContact CD1-C 3.44Å; R588-K747 PolarHBondContact NH2-O 3.01Å
748	R	83.6	Confident	82.8	Confident	40 Å²	40	33.7 Å²	33.7	15%	0.151	17%	0.167	C	C	.	.			trans	-77.1	128.2	174	-165.2	175.4	-78.8	-95.4	11.2	109.4	I586 L679 T681 E696 D698 A751	I586-R748 VanDerWaalsContact CD1-CA 3.47Å; I586-R748 HydrophobicContact CD1-CB 3.6Å; I586-R748 HydrophobicContact CD1-CG 4.31Å; L679-R748 PolarHBondContact O-NH1 3.33Å; L679-R748 PolarHBondContact O-NH2 2.84Å; T681-R748 PolarHBondContact OG1-NH1 3.26Å; E696-R748 VanDerWaalsContact CD-CG 3.47Å; E696-R748 HydrophobicContact CG-CG 4.18Å; E696-R748 PolarHBondContact O-NH1 2.97Å; E696-R748 WeakPolarHBondContact OE1-CG 3.19Å; D698-R748 IonicContact OD1-NH2 3.7Å; D698-R748 PolarHBondContact OD1-NH2 2.87Å; D698-R748 IonicContact OD2-CZ 2.85Å; D698-R748 IonicContact OD2-NH2 3.3Å; D698-R748 PolarHBondContact OD2-NH2 3Å; R748-A751 HydrophobicContact CB-CB 4.33Å; R748-A751 HydrophobicContact CG-CB 3.9Å
749	L	81.3	Confident	83	Confident	22 Å²	22	37.7 Å²	37.7	12%	0.115	19%	0.185	C	C	.	.	S	Bend	trans	-94.4	-35.6	-175.7	-68.1	177.8	0	0	0	112.7	R588 E696 L817 K818 T821	R588-L749 VanDerWaalsContact CZ-CD1 3.44Å; E696-L749 PolarHBondContact OE1-N 3.22Å; E696-L749 PolarHBondContact OE2-N 3.26Å; L749-L817 HydrophobicContact CD1-CB 3.87Å; L749-K818 HydrophobicContact CD1-CB 4.3Å; L749-K818 HydrophobicContact CD2-CB 4.21Å; L749-K818 HydrophobicContact CD2-CG 4.1Å; L749-T821 HydrophobicContact CB-CG2 4Å; L749-T821 WeakPolarHBondContact O-CG2 3.48Å
750	Y	84.1	Confident	83.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-106.2	16	-170.1	-48.7	-60.8	0	0	0	112.7	F683 I694 E696 S752 L753 L817 F820 T821	F683-Y750 HydrophobicContact CD1-CD1 4.18Å; F683-Y750 AromaticContact CD1-CE1 3.95Å; F683-Y750 HydrophobicContact CD1-CE1 3.95Å; F683-Y750 HydrophobicContact CE1-CD1 4.44Å; F683-Y750 AromaticContact CE1-CE1 3.75Å; F683-Y750 HydrophobicContact CE1-CE1 3.75Å; F683-Y750 AromaticContact CE1-CZ 3.84Å; I694-Y750 HydrophobicContact CG2-CE2 3.71Å; E696-Y750 HydrophobicContact CG-CD2 4.1Å; E696-Y750 WeakPolarHBondContact OE1-CA 3.42Å; E696-Y750 VanDerWaalsContact OE1-CB 3.31Å; E696-Y750 WeakPolarHBondContact OE1-CB 3.41Å; E696-Y750 WeakPolarHBondContact OE1-CD2 3.38Å; E696-Y750 PolarHBondContact OE1-N 2.96Å; Y750-S752 PolarHBondContact O-N 2.95Å; Y750-S752 VanDerWaalsContact O-N 3.17Å; Y750-L753 HydrophobicContact CD1-CD1 3.94Å; Y750-L753 HydrophobicContact CG-CD1 4.32Å; Y750-L753 WeakPolarHBondContact O-CB 3.29Å; Y750-L753 PolarHBondContact O-N 3.18Å; Y750-L817 PolarHBondContact OH-O 3.36Å; Y750-L817 VanDerWaalsContact OH-O 3.06Å; Y750-F820 HydrophobicContact CE1-CB 4.23Å; Y750-T821 HydrophobicContact CD1-CG2 4.14Å; Y750-T821 HydrophobicContact CE1-CG2 4.14Å
751	A	80.6	Confident	83.6	Confident	19 Å²	19	46.3 Å²	46.3	16%	0.157	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.2	178.7	0	0	0	0	0	113.2	I651 R748 L753	I651-A751 HydrophobicContact CG2-CB 4.02Å; R748-A751 HydrophobicContact CB-CB 4.33Å; R748-A751 HydrophobicContact CG-CB 3.9Å; A751-L753 VanDerWaalsContact C-N 3.29Å; A751-L753 PolarHBondContact O-N 2.74Å
752	S	77.3	Confident	84	Confident	28 Å²	28	44.7 Å²	44.7	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.3	179.3	55.9	0	0	0	0	114.3	Y750	Y750-S752 PolarHBondContact O-N 2.95Å; Y750-S752 VanDerWaalsContact O-N 3.17Å
753	L	83.1	Confident	84.4	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	-89.6	164.7	178.5	-57.5	-172.7	0	0	0	112.4	Q644 F683 Y750 A751 W755 P822	Q644-L753 VanDerWaalsContact NE2-C 3.27Å; Q644-L753 PolarHBondContact NE2-O 3.42Å; F683-L753 HydrophobicContact CB-CD1 4.17Å; F683-L753 HydrophobicContact CD1-CD1 4.47Å; Y750-L753 HydrophobicContact CD1-CD1 3.94Å; Y750-L753 HydrophobicContact CG-CD1 4.32Å; Y750-L753 WeakPolarHBondContact O-CB 3.29Å; Y750-L753 PolarHBondContact O-N 3.18Å; A751-L753 VanDerWaalsContact C-N 3.29Å; A751-L753 PolarHBondContact O-N 2.74Å; L753-W755 PolarHBondContact O-N 2.89Å; L753-P822 HydrophobicContact CD1-CG 3.74Å; L753-P822 HydrophobicContact CD2-CB 4.03Å; L753-P822 HydrophobicContact CD2-CG 3.4Å; L753-P822 VanDerWaalsContact CD2-CG 3.4Å; L753-P822 HydrophobicContact CG-CG 4.16Å
754	N	85.2	Confident	84.8	Confident	43 Å²	43	48.8 Å²	48.8	23%	0.23	24%	0.237	C	C	.	.			trans	-52.1	134	-179.3	-68.6	27.8	0	0	0	111.1	Y756 L758	N754-Y756 HydrophobicContact CB-CE1 4.44Å; N754-Y756 PolarHBondContact ND2-OH 3.36Å; N754-Y756 PolarHBondContact O-N 3.42Å; N754-Y756 VanDerWaalsContact O-O 3.12Å; N754-L758 HydrophobicContact CB-CB 4.47Å
755	W	87.6	Confident	85.2	Confident	6 Å²	6	49.2 Å²	49.2	2%	0.023	24%	0.241	C	C	.	.	S	Bend	trans	-74.9	14.8	177.3	-63.1	-6.5	0	0	0	113.8	N621 I625 L640 R643 Q644 Y647 L679 L753	N621-W755 PolarHBondContact ND2-O 3.38Å; I625-W755 HydrophobicContact CD1-CD2 4.35Å; I625-W755 HydrophobicContact CD1-CE3 3.32Å; I625-W755 HydrophobicContact CD1-CH2 4.46Å; I625-W755 HydrophobicContact CD1-CZ3 3.39Å; I625-W755 HydrophobicContact CG1-CZ3 4.46Å; L640-W755 HydrophobicContact CD2-CE3 4.43Å; R643-W755 HydrophobicContact CB-CZ3 4.01Å; Q644-W755 HydrophobicContact CB-CD2 3.81Å; Q644-W755 HydrophobicContact CB-CE3 3.97Å; Q644-W755 HydrophobicContact CB-CG 4.3Å; Q644-W755 HydrophobicContact CB-CH2 4.42Å; Q644-W755 HydrophobicContact CB-CZ2 4.23Å; Q644-W755 HydrophobicContact CB-CZ3 4.27Å; Q644-W755 HydrophobicContact CG-CD2 4.15Å; Q644-W755 HydrophobicContact CG-CG 4.39Å; Q644-W755 HydrophobicContact CG-CZ2 4.3Å; Y647-W755 AromaticContact CD2-CH2 3.67Å; Y647-W755 HydrophobicContact CD2-CH2 3.67Å; Y647-W755 HydrophobicContact CD2-CZ3 4.39Å; Y647-W755 HydrophobicContact CE2-CH2 4.42Å; Y647-W755 HydrophobicContact CG-CH2 4.09Å; L679-W755 HydrophobicContact CD1-CD2 4.18Å; L679-W755 HydrophobicContact CD1-CE3 4.36Å; L679-W755 HydrophobicContact CD1-CH2 4.15Å; L679-W755 HydrophobicContact CD1-CZ2 4.01Å; L679-W755 HydrophobicContact CD1-CZ3 4.34Å; L679-W755 HydrophobicContact CD2-CB 4.46Å; L679-W755 HydrophobicContact CD2-CD2 4.27Å; L679-W755 HydrophobicContact CD2-CE3 4.37Å; L679-W755 HydrophobicContact CD2-CG 4.35Å; L753-W755 PolarHBondContact O-N 2.89Å
756	Y	89.4	Confident	85.4	Confident	36 Å²	36	49.1 Å²	49.1	14%	0.141	24%	0.241	C	C	.	.	S	Bend	trans	-134.6	157.5	162	61	-94.8	0	0	0	107.8	L618 K637 N641 N754 L758	L618-Y756 HydrophobicContact CD1-CG 4.36Å; K637-Y756 HydrophobicContact CB-CD1 4.42Å; K637-Y756 HydrophobicContact CB-CE1 4.3Å; K637-Y756 HydrophobicContact CG-CD1 4.2Å; K637-Y756 HydrophobicContact CG-CE1 4.39Å; K637-Y756 HydrophobicContact CG-CG 4.31Å; N641-Y756 VanDerWaalsContact OD1-CE1 3.26Å; N641-Y756 WeakPolarHBondContact OD1-CE1 3.35Å; N754-Y756 HydrophobicContact CB-CE1 4.44Å; N754-Y756 PolarHBondContact ND2-OH 3.36Å; N754-Y756 PolarHBondContact O-N 3.42Å; N754-Y756 VanDerWaalsContact O-O 3.12Å; Y756-L758 HydrophobicContact CE2-CB 4.26Å; Y756-L758 HydrophobicContact CE2-CD1 3.99Å; Y756-L758 PolarHBondContact O-N 2.91Å
757	L	89.8	Confident	85.7	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.063	26%	0.258	C	S	.	.			trans	-72.3	88.6	-174.5	-150.6	82.6	0	0	0	111.4	Q614 Y684 I693 L695	Q614-L757 HydrophobicContact CG-CB 4.15Å; Q614-L757 HydrophobicContact CG-CD2 3.72Å; Y684-L757 HydrophobicContact CD1-CD2 4.42Å; Y684-L757 HydrophobicContact CG-CD2 4.15Å; I693-L757 HydrophobicContact CD1-CD2 4.15Å; I693-L757 HydrophobicContact CG1-CD2 4.28Å; I693-L757 HydrophobicContact CG2-CD1 4.09Å; I693-L757 HydrophobicContact CG2-CD2 3.88Å; L695-L757 HydrophobicContact CD2-CD1 3.37Å
758	L	86.9	Confident	86.1	Confident	62 Å²	62	52.2 Å²	52.2	33%	0.325	26%	0.259	S	S	.	.			trans	-70.3	131.6	173.9	-172.4	70.4	0	0	0	109.7	N754 Y756 Y760	N754-L758 HydrophobicContact CB-CB 4.47Å; Y756-L758 HydrophobicContact CE2-CB 4.26Å; Y756-L758 HydrophobicContact CE2-CD1 3.99Å; Y756-L758 PolarHBondContact O-N 2.91Å; L758-Y760 HydrophobicContact CB-CE2 4.3Å; L758-Y760 HydrophobicContact CD2-CE1 4.05Å; L758-Y760 WeakPolarHBondContact O-CD2 3.18Å; L758-Y760 PolarHBondContact O-N 2.9Å
759	E	89.6	Confident	86.3	Confident	90 Å²	90	51.7 Å²	51.7	42%	0.421	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.4	175.2	-179.6	-176.5	165	0	0	110.5	Y684 N686	Y684-E759 HydrophobicContact CD1-CB 3.7Å; Y684-E759 HydrophobicContact CD1-CG 3.86Å; Y684-E759 HydrophobicContact CE1-CB 3.78Å; Y684-E759 HydrophobicContact CE1-CG 3.54Å; N686-E759 HydrophobicContact CB-CG 3.92Å; N686-E759 PolarHBondContact ND2-OE1 3.14Å
760	Y	88.8	Confident	86.6	Confident	83 Å²	83	52.2 Å²	52.2	33%	0.325	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	95.5	169.3	-62.6	-81.7	0	0	0	108.6	F683 Y684 L685 N686 L758	F683-Y760 HydrophobicContact CB-CD2 4.23Å; F683-Y760 HydrophobicContact CB-CE2 3.99Å; Y684-Y760 WeakPolarHBondContact O-CD2 3.06Å; Y684-Y760 PolarHBondContact O-N 3.5Å; L685-Y760 WeakPolarHBondContact CA-O 3.5Å; N686-Y760 PolarHBondContact N-O 3.43Å; L758-Y760 HydrophobicContact CB-CE2 4.3Å; L758-Y760 HydrophobicContact CD2-CE1 4.05Å; L758-Y760 WeakPolarHBondContact O-CD2 3.18Å; L758-Y760 PolarHBondContact O-N 2.9Å
761	K	88.6	Confident	86.8	Confident	153 Å²	153	58.1 Å²	58.1	67%	0.665	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.9	177.6	-170.6	173.2	-179	176.8	0	110.7	N686 L763	N686-K761 WeakPolarHBondContact O-CA 3.49Å; K761-L763 PolarHBondContact O-N 3.3Å
762	M	86.2	Confident	87.1	Confident	47 Å²	47	61.6 Å²	61.6	23%	0.232	31%	0.305	C	S	.	.			trans	-66.9	120.2	173	-71.6	-62.9	-68.7	0	0	109.5	L685 N686 D687 I764 I766 I769 I789	L685-M762 HydrophobicContact CD1-CG 3.83Å; L685-M762 HydrophobicContact CD1-SD 3.82Å; L685-M762 HydrophobicContact CG-CG 4.2Å; N686-M762 PolarHBondContact O-N 3.11Å; D687-M762 HydrophobicContact CB-CG 4.47Å; M762-I764 VanDerWaalsContact C-N 3.33Å; M762-I766 HydrophobicContact CE-CG1 3.96Å; M762-I766 HydrophobicContact CG-CG1 4.46Å; M762-I769 HydrophobicContact CE-CD1 3.77Å; M762-I789 HydrophobicContact CE-CD1 4.33Å
763	L	85.1	Confident	87.4	Confident	173 Å²	173	64.6 Å²	64.6	91%	0.906	33%	0.327	S	S	*	.	S	Bend	trans	-69.1	-35.4	175.9	-68.9	172.6	0	0	0	111.8	K761	K761-L763 PolarHBondContact O-N 3.3Å
764	I	86	Confident	87.2	Confident	87 Å²	87	68.1 Å²	68.1	45%	0.446	35%	0.345	S	S	.	.	S	Bend	trans	-118.3	123.1	176.1	-54.5	176.4	0	0	0	106.6	M762 I769	M762-I764 VanDerWaalsContact C-N 3.33Å; I764-I769 HydrophobicContact CB-CD1 4.28Å; I764-I769 HydrophobicContact CB-CG1 4.12Å; I764-I769 HydrophobicContact CG2-CD1 4.36Å; I764-I769 HydrophobicContact CG2-CG1 3.67Å; I764-I769 WeakPolarHBondContact O-CD1 3.29Å
765	P	88.7	Confident	86.8	Confident	19 Å²	19	66.7 Å²	66.7	12%	0.123	34%	0.336	C	S	.	.			trans	-57.1	140.6	-179.2	-22.2	29.5	0	0	0	111.8	D687 E688 K767 S768 I769	D687-P765 VanDerWaalsContact OD1-CA 3.25Å; D687-P765 WeakPolarHBondContact OD1-CA 3.44Å; E688-P765 HydrophobicContact CB-CB 3.82Å; E688-P765 HydrophobicContact CB-CG 3.78Å; E688-P765 WeakPolarHBondContact OE2-CG 3.27Å; P765-K767 PolarHBondContact O-N 3.04Å; P765-S768 WeakPolarHBondContact O-CA 3.43Å; P765-S768 WeakPolarHBondContact O-CB 3.3Å; P765-S768 PolarHBondContact O-N 3.46Å; P765-I769 WeakPolarHBondContact O-CG1 3.29Å; P765-I769 PolarHBondContact O-N 3.2Å
766	I	89.3	Confident	86.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-57.6	-41.8	179.4	-72.3	179	0	0	0	110.6	L685 D687 F690 M762 S768 I769 I770 I789 I792 I793	L685-I766 HydrophobicContact CD2-CD1 4.09Å; D687-I766 PolarHBondContact OD1-N 3.02Å; D687-I766 PolarHBondContact OD2-N 3.38Å; F690-I766 HydrophobicContact CE1-CB 4.41Å; F690-I766 HydrophobicContact CE1-CD1 4.23Å; F690-I766 HydrophobicContact CZ-CD1 3.82Å; M762-I766 HydrophobicContact CE-CG1 3.96Å; M762-I766 HydrophobicContact CG-CG1 4.46Å; I766-S768 VanDerWaalsContact C-N 3.28Å; I766-S768 PolarHBondContact O-N 2.92Å; I766-I769 WeakPolarHBondContact O-CB 3.37Å; I766-I769 PolarHBondContact O-N 3.03Å; I766-I769 VanDerWaalsContact O-N 3.15Å; I766-I770 HydrophobicContact CG2-CD1 3.57Å; I766-I770 HydrophobicContact CG2-CG1 4.23Å; I766-I770 VanDerWaalsContact O-CD1 3.3Å; I766-I770 WeakPolarHBondContact O-CD1 3.41Å; I766-I770 WeakPolarHBondContact O-CG1 3.39Å; I766-I770 PolarHBondContact O-N 2.84Å; I766-I789 HydrophobicContact CD1-CD1 4.02Å; I766-I789 HydrophobicContact CG1-CD1 3.85Å; I766-I789 HydrophobicContact CG2-CG2 4.16Å; I766-I792 HydrophobicContact CD1-CD1 4.16Å; I766-I792 HydrophobicContact CD1-CG2 3.99Å; I766-I793 HydrophobicContact CG2-CG1 4.25Å
767	K	89.1	Confident	85.5	Confident	115 Å²	115	73.7 Å²	73.7	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-56.5	-41.5	173.6	179.3	175	173.4	-174.5	0	112.7	D689 P765 N771	D689-K767 VanDerWaalsContact OD2-CB 3.24Å; D689-K767 WeakPolarHBondContact OD2-CB 3.38Å; D689-K767 WeakPolarHBondContact OD2-CD 3.37Å; P765-K767 PolarHBondContact O-N 3.04Å; K767-N771 VanDerWaalsContact O-CG 3.26Å; K767-N771 PolarHBondContact O-N 3.19Å; K767-N771 VanDerWaalsContact O-N 3.13Å; K767-N771 PolarHBondContact O-ND2 2.93Å
768	S	88.6	Confident	84.1	Confident	50 Å²	50	81.5 Å²	81.5	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-67.8	-40.6	176.4	-65	0	0	0	0	111.8	P765 I766 N771 Q772	P765-S768 WeakPolarHBondContact O-CA 3.43Å; P765-S768 WeakPolarHBondContact O-CB 3.3Å; P765-S768 PolarHBondContact O-N 3.46Å; I766-S768 VanDerWaalsContact C-N 3.28Å; I766-S768 PolarHBondContact O-N 2.92Å; S768-N771 PolarHBondContact O-N 2.61Å; S768-Q772 WeakPolarHBondContact O-CG 3.45Å; S768-Q772 PolarHBondContact O-N 2.83Å
769	I	87.1	Confident	82.9	Confident	28 Å²	28	82 Å²	82	14%	0.144	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.5	-64.8	170.4	0	0	0	110.6	M762 I764 P765 I766 N771 Q772 F775	M762-I769 HydrophobicContact CE-CD1 3.77Å; I764-I769 HydrophobicContact CB-CD1 4.28Å; I764-I769 HydrophobicContact CB-CG1 4.12Å; I764-I769 HydrophobicContact CG2-CD1 4.36Å; I764-I769 HydrophobicContact CG2-CG1 3.67Å; I764-I769 WeakPolarHBondContact O-CD1 3.29Å; P765-I769 WeakPolarHBondContact O-CG1 3.29Å; P765-I769 PolarHBondContact O-N 3.2Å; I766-I769 WeakPolarHBondContact O-CB 3.37Å; I766-I769 PolarHBondContact O-N 3.03Å; I766-I769 VanDerWaalsContact O-N 3.15Å; I769-N771 VanDerWaalsContact C-N 3.27Å; I769-N771 PolarHBondContact O-N 2.84Å; I769-Q772 WeakPolarHBondContact O-CB 3.29Å; I769-Q772 PolarHBondContact O-N 2.87Å; I769-Q772 VanDerWaalsContact O-N 3.11Å; I769-F775 HydrophobicContact CG2-CB 4.24Å; I769-F775 HydrophobicContact CG2-CD2 3.37Å; I769-F775 HydrophobicContact CG2-CE2 3.83Å; I769-F775 HydrophobicContact CG2-CG 3.83Å; I769-F775 WeakPolarHBondContact O-CB 3.11Å
770	I	88	Confident	81.9	Confident	33 Å²	33	80.7 Å²	80.7	17%	0.169	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-37.1	179.8	-63.1	158.9	0	0	0	110.7	I766 Q772 Y776 I789 I793	I766-I770 HydrophobicContact CG2-CD1 3.57Å; I766-I770 HydrophobicContact CG2-CG1 4.23Å; I766-I770 VanDerWaalsContact O-CD1 3.3Å; I766-I770 WeakPolarHBondContact O-CD1 3.41Å; I766-I770 WeakPolarHBondContact O-CG1 3.39Å; I766-I770 PolarHBondContact O-N 2.84Å; I770-Q772 PolarHBondContact O-N 2.85Å; I770-Y776 WeakPolarHBondContact CG2-OH 3.27Å; I770-Y776 WeakPolarHBondContact O-CE2 3.41Å; I770-Y776 PolarHBondContact O-OH 3.08Å; I770-Y776 VanDerWaalsContact O-OH 3.04Å; I770-I789 HydrophobicContact CG1-CG2 4.3Å; I770-I793 HydrophobicContact CD1-CD1 3.14Å; I770-I793 HydrophobicContact CD1-CG1 3.5Å; I770-I793 VanDerWaalsContact CD1-CG1 3.5Å; I770-I793 HydrophobicContact CG1-CD1 3.46Å; I770-I793 VanDerWaalsContact CG1-CD1 3.46Å; I770-I793 HydrophobicContact CG1-CG1 4.33Å
771	N	88	Confident	80.9	Confident	125 Å²	125	79.5 Å²	79.5	67%	0.668	39%	0.394	S	S	*	.	H	α-helix	trans	-74.9	-11.9	179.5	-71.4	-23.3	0	0	0	113.6	K767 S768 I769	K767-N771 VanDerWaalsContact O-CG 3.26Å; K767-N771 PolarHBondContact O-N 3.19Å; K767-N771 VanDerWaalsContact O-N 3.13Å; K767-N771 PolarHBondContact O-ND2 2.93Å; S768-N771 PolarHBondContact O-N 2.61Å; I769-N771 VanDerWaalsContact C-N 3.27Å; I769-N771 PolarHBondContact O-N 2.84Å
772	Q	86.1	Confident	80.1	Confident	91 Å²	91	75.8 Å²	75.8	43%	0.425	39%	0.385	S	S	.	.			trans	-81.6	122	175.5	-69.5	172.3	1.1	0	0	110.1	S768 I769 I770 I774 F775	S768-Q772 WeakPolarHBondContact O-CG 3.45Å; S768-Q772 PolarHBondContact O-N 2.83Å; I769-Q772 WeakPolarHBondContact O-CB 3.29Å; I769-Q772 PolarHBondContact O-N 2.87Å; I769-Q772 VanDerWaalsContact O-N 3.11Å; I770-Q772 PolarHBondContact O-N 2.85Å; Q772-I774 HydrophobicContact CB-CG2 4.06Å; Q772-I774 PolarHBondContact O-N 3.22Å; Q772-I774 VanDerWaalsContact O-N 3.08Å; Q772-F775 WeakPolarHBondContact O-CB 3.38Å; Q772-F775 PolarHBondContact O-N 2.86Å
773	S	83.4	Confident	79.4	Confident	92 Å²	92	75.9 Å²	75.9	64%	0.643	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-53.2	-34	175.4	55.4	0	0	0	0	112.6	F775 Y776 I777	S773-F775 PolarHBondContact O-N 3.07Å; S773-Y776 PolarHBondContact O-N 3.09Å; S773-Y776 VanDerWaalsContact O-N 3.07Å; S773-I777 PolarHBondContact O-N 3.32Å
774	I	79.3	Confident	78.7	Confident	83 Å²	83	70.8 Å²	70.8	43%	0.426	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-60.5	-27.3	-179.4	-152	164.3	0	0	0	113.8	Q772 Y776 I777 L780	Q772-I774 HydrophobicContact CB-CG2 4.06Å; Q772-I774 PolarHBondContact O-N 3.22Å; Q772-I774 VanDerWaalsContact O-N 3.08Å; I774-Y776 PolarHBondContact O-N 2.77Å; I774-I777 PolarHBondContact O-N 3Å; I774-L780 HydrophobicContact CD1-CD1 3.92Å; I774-L780 HydrophobicContact CG1-CB 4.28Å; I774-L780 HydrophobicContact CG1-CD1 3.43Å; I774-L780 VanDerWaalsContact CG1-CD1 3.43Å; I774-L780 HydrophobicContact CG1-CG 4.35Å
775	F	78.1	Confident	78.2	Confident	13 Å²	13	69.9 Å²	69.9	6%	0.057	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65.2	-29.3	177.8	176.7	-105	0	0	0	112.2	I769 Q772 S773 L781 Y786 I789	I769-F775 HydrophobicContact CG2-CB 4.24Å; I769-F775 HydrophobicContact CG2-CD2 3.37Å; I769-F775 HydrophobicContact CG2-CE2 3.83Å; I769-F775 HydrophobicContact CG2-CG 3.83Å; I769-F775 WeakPolarHBondContact O-CB 3.11Å; Q772-F775 WeakPolarHBondContact O-CB 3.38Å; Q772-F775 PolarHBondContact O-N 2.86Å; S773-F775 PolarHBondContact O-N 3.07Å; F775-L781 HydrophobicContact CD2-CD2 3.81Å; F775-L781 HydrophobicContact CE2-CD2 3.73Å; F775-Y786 HydrophobicContact CD1-CD2 4.28Å; F775-Y786 HydrophobicContact CD1-CE2 4.45Å; F775-Y786 AromaticContact CE1-CD2 3.64Å; F775-Y786 HydrophobicContact CE1-CD2 3.64Å; F775-Y786 AromaticContact CE1-CE2 3.85Å; F775-Y786 HydrophobicContact CE1-CE2 3.85Å; F775-Y786 HydrophobicContact CE1-CG 4.43Å; F775-Y786 HydrophobicContact CE2-CD2 4.23Å; F775-Y786 AromaticContact CZ-CD2 3.6Å; F775-Y786 HydrophobicContact CZ-CD2 3.6Å; F775-Y786 HydrophobicContact CZ-CE2 4.24Å; F775-Y786 AromaticContact CZ-CG 3.99Å; F775-Y786 HydrophobicContact CZ-CG 3.99Å; F775-I789 HydrophobicContact CE1-CG2 4.27Å; F775-I789 HydrophobicContact CE2-CB 4.04Å; F775-I789 HydrophobicContact CE2-CG1 4.2Å; F775-I789 HydrophobicContact CE2-CG2 4.04Å; F775-I789 HydrophobicContact CZ-CB 3.75Å; F775-I789 HydrophobicContact CZ-CG1 4.42Å; F775-I789 HydrophobicContact CZ-CG2 3.56Å
776	Y	77.9	Confident	77.7	Confident	129 Å²	129	71.6 Å²	71.6	51%	0.506	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.2	179.4	-55.5	-73.1	0	0	0	113.6	I770 S773 I774 R778 Y786	I770-Y776 WeakPolarHBondContact CG2-OH 3.27Å; I770-Y776 WeakPolarHBondContact O-CE2 3.41Å; I770-Y776 PolarHBondContact O-OH 3.08Å; I770-Y776 VanDerWaalsContact O-OH 3.04Å; S773-Y776 PolarHBondContact O-N 3.09Å; S773-Y776 VanDerWaalsContact O-N 3.07Å; I774-Y776 PolarHBondContact O-N 2.77Å; Y776-R778 PolarHBondContact O-N 2.82Å; Y776-Y786 HydrophobicContact CD1-CE2 4.2Å
777	I	70.8	Confident	77.2	Confident	61 Å²	61	71.9 Å²	71.9	31%	0.313	36%	0.358	S	S	.	.	S	Bend	trans	-73.6	121.9	177.5	-62	175.5	0	0	0	108.2	S773 I774 L780	S773-I777 PolarHBondContact O-N 3.32Å; I774-I777 PolarHBondContact O-N 3Å; I777-L780 HydrophobicContact CB-CD1 3.87Å; I777-L780 HydrophobicContact CD1-CD1 4.37Å; I777-L780 HydrophobicContact CG2-CD1 3.57Å; I777-L780 HydrophobicContact CG2-CG 4.44Å
778	R	60.1	Low	76.7	Confident	176 Å²	176	68.5 Å²	68.5	66%	0.664	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	144.5	178.1	-61.9	-173.8	-175.3	-179.4	10.3	109.5	E527 Y776 L780	E527-R778 IonicContact OE1-CZ 2.78Å; E527-R778 IonicContact OE1-NH1 3.69Å; E527-R778 PolarHBondContact OE1-NH1 3.01Å; Y776-R778 PolarHBondContact O-N 2.82Å; R778-L780 PolarHBondContact O-N 2.88Å
779	D	61.4	Low	76.5	Confident	71 Å²	71	66.3 Å²	66.3	38%	0.38	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-14.4	176.2	-54.1	-44.4	0	0	0	119.4	R544	R544-D779 WeakPolarHBondContact CB-OD1 3.29Å; R544-D779 WeakPolarHBondContact CD-OD1 3.39Å
780	L	69.3	Low	76.3	Confident	64 Å²	64	69.3 Å²	69.3	34%	0.335	34%	0.338	S	S	.	.	S	Bend	trans	-80.8	-26.8	180	-75.5	160.5	0	0	0	113.5	P471 I774 I777 R778	P471-L780 HydrophobicContact CB-CD2 3.92Å; P471-L780 HydrophobicContact CG-CD2 4.44Å; I774-L780 HydrophobicContact CD1-CD1 3.92Å; I774-L780 HydrophobicContact CG1-CB 4.28Å; I774-L780 HydrophobicContact CG1-CD1 3.43Å; I774-L780 VanDerWaalsContact CG1-CD1 3.43Å; I774-L780 HydrophobicContact CG1-CG 4.35Å; I777-L780 HydrophobicContact CB-CD1 3.87Å; I777-L780 HydrophobicContact CD1-CD1 4.37Å; I777-L780 HydrophobicContact CG2-CD1 3.57Å; I777-L780 HydrophobicContact CG2-CG 4.44Å; R778-L780 PolarHBondContact O-N 2.88Å
781	L	67.7	Low	76	Confident	58 Å²	58	68.2 Å²	68.2	30%	0.304	33%	0.332	S	S	.	.	S	Bend	trans	-120.3	140.9	179.7	-160.8	81.6	0	0	0	110.5	F775 R783 I785	F775-L781 HydrophobicContact CD2-CD2 3.81Å; F775-L781 HydrophobicContact CE2-CD2 3.73Å; L781-R783 PolarHBondContact O-N 3.02Å; L781-I785 HydrophobicContact CD1-CD1 4.43Å; L781-I785 HydrophobicContact CD1-CG2 4.42Å; L781-I785 HydrophobicContact CD2-CB 3.72Å; L781-I785 HydrophobicContact CD2-CG2 3.62Å; L781-I785 HydrophobicContact CG-CB 4.03Å; L781-I785 HydrophobicContact CG-CD1 4.42Å; L781-I785 HydrophobicContact CG-CG2 4.18Å
782	P	72	Confident	75.9	Confident	75 Å²	75	62.3 Å²	62.3	49%	0.487	30%	0.3	S	S	.	.			trans	-52.4	123.9	165.4	-25.7	32.8	0	0	0	110.9	L784 I785 Y786	P782-L784 PolarHBondContact O-N 2.87Å; P782-L784 VanDerWaalsContact O-N 3.12Å; P782-I785 HydrophobicContact CB-CD1 4.07Å; P782-I785 HydrophobicContact CB-CG1 4.15Å; P782-I785 HydrophobicContact CG-CD1 3.94Å; P782-I785 WeakPolarHBondContact O-CA 3.26Å; P782-I785 WeakPolarHBondContact O-CB 3.44Å; P782-I785 PolarHBondContact O-N 3.02Å; P782-Y786 PolarHBondContact O-N 3.09Å
783	R	71.4	Confident	75.9	Confident	48 Å²	48	59.2 Å²	59.2	18%	0.181	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-32	-176	-169.6	79.3	178.2	87.8	-20.8	113.7	S528 D531 L781 I785 Y786 C787	S528-R783 PolarHBondContact OG-NH1 3.2Å; S528-R783 PolarHBondContact OG-NH2 2.86Å; D531-R783 HydrophobicContact CB-CB 4.09Å; D531-R783 HydrophobicContact CB-CG 4.02Å; D531-R783 WeakPolarHBondContact OD2-CB 3.35Å; D531-R783 WeakPolarHBondContact OD2-CG 3.24Å; L781-R783 PolarHBondContact O-N 3.02Å; R783-I785 PolarHBondContact O-N 3.15Å; R783-Y786 VanDerWaalsContact NH1-CE1 3.26Å; R783-Y786 VanDerWaalsContact NH1-CG 3.29Å; R783-Y786 WeakPolarHBondContact O-CB 3.47Å; R783-Y786 PolarHBondContact O-N 3.28Å; R783-Y786 VanDerWaalsContact O-N 3.14Å; R783-C787 PolarHBondContact NH1-SG 2.9Å; R783-C787 WeakPolarHBondContact O-CB 3.35Å; R783-C787 PolarHBondContact O-N 3.4Å; R783-C787 PolarHBondContact O-SG 2.83Å
784	L	70.6	Confident	75.8	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-56.6	-38.7	173.9	-68.7	174.2	0	0	0	111.5	L532 P782 C787 F788 I823	L532-L784 HydrophobicContact CD2-CD2 3.51Å; P782-L784 PolarHBondContact O-N 2.87Å; P782-L784 VanDerWaalsContact O-N 3.12Å; L784-C787 PolarHBondContact O-N 3.38Å; L784-F788 VanDerWaalsContact O-CB 3.24Å; L784-F788 WeakPolarHBondContact O-CB 3.35Å; L784-F788 PolarHBondContact O-N 2.84Å; L784-I823 HydrophobicContact CB-CD1 3.84Å; L784-I823 HydrophobicContact CD1-CD1 3.58Å; L784-I823 HydrophobicContact CD1-CG1 4.33Å; L784-I823 HydrophobicContact CG-CD1 4.36Å
785	I	76.1	Confident	76	Confident	69 Å²	69	51.4 Å²	51.4	35%	0.354	24%	0.238	S	C	.	.	H	α-helix	trans	-69	-43.3	176.4	-56.5	177.1	0	0	0	110.5	L781 P782 R783 C787 F788 I789	L781-I785 HydrophobicContact CD1-CD1 4.43Å; L781-I785 HydrophobicContact CD1-CG2 4.42Å; L781-I785 HydrophobicContact CD2-CB 3.72Å; L781-I785 HydrophobicContact CD2-CG2 3.62Å; L781-I785 HydrophobicContact CG-CB 4.03Å; L781-I785 HydrophobicContact CG-CD1 4.42Å; L781-I785 HydrophobicContact CG-CG2 4.18Å; P782-I785 HydrophobicContact CB-CD1 4.07Å; P782-I785 HydrophobicContact CB-CG1 4.15Å; P782-I785 HydrophobicContact CG-CD1 3.94Å; P782-I785 WeakPolarHBondContact O-CA 3.26Å; P782-I785 WeakPolarHBondContact O-CB 3.44Å; P782-I785 PolarHBondContact O-N 3.02Å; R783-I785 PolarHBondContact O-N 3.15Å; I785-C787 VanDerWaalsContact C-N 3.31Å; I785-C787 PolarHBondContact O-N 2.95Å; I785-F788 WeakPolarHBondContact O-CB 3.43Å; I785-F788 PolarHBondContact O-N 2.8Å; I785-I789 HydrophobicContact CG2-CG1 4.33Å; I785-I789 VanDerWaalsContact O-CG1 3.31Å; I785-I789 WeakPolarHBondContact O-CG1 3.46Å; I785-I789 PolarHBondContact O-N 3.24Å
786	Y	78.6	Confident	76.3	Confident	54 Å²	54	51.9 Å²	51.9	21%	0.212	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-49.8	172.2	175.4	-70.2	0	0	0	110.2	F775 Y776 P782 R783 F788 I789 Y790	F775-Y786 HydrophobicContact CD1-CD2 4.28Å; F775-Y786 HydrophobicContact CD1-CE2 4.45Å; F775-Y786 AromaticContact CE1-CD2 3.64Å; F775-Y786 HydrophobicContact CE1-CD2 3.64Å; F775-Y786 AromaticContact CE1-CE2 3.85Å; F775-Y786 HydrophobicContact CE1-CE2 3.85Å; F775-Y786 HydrophobicContact CE1-CG 4.43Å; F775-Y786 HydrophobicContact CE2-CD2 4.23Å; F775-Y786 AromaticContact CZ-CD2 3.6Å; F775-Y786 HydrophobicContact CZ-CD2 3.6Å; F775-Y786 HydrophobicContact CZ-CE2 4.24Å; F775-Y786 AromaticContact CZ-CG 3.99Å; F775-Y786 HydrophobicContact CZ-CG 3.99Å; Y776-Y786 HydrophobicContact CD1-CE2 4.2Å; P782-Y786 PolarHBondContact O-N 3.09Å; R783-Y786 VanDerWaalsContact NH1-CE1 3.26Å; R783-Y786 VanDerWaalsContact NH1-CG 3.29Å; R783-Y786 WeakPolarHBondContact O-CB 3.47Å; R783-Y786 PolarHBondContact O-N 3.28Å; R783-Y786 VanDerWaalsContact O-N 3.14Å; Y786-F788 VanDerWaalsContact C-N 3.27Å; Y786-F788 PolarHBondContact O-N 2.62Å; Y786-I789 PolarHBondContact O-N 3.47Å; Y786-Y790 HydrophobicContact CE1-CD2 4.23Å; Y786-Y790 AromaticContact CE1-CG 3.97Å; Y786-Y790 HydrophobicContact CE1-CG 3.97Å; Y786-Y790 WeakPolarHBondContact O-CB 3.14Å; Y786-Y790 PolarHBondContact O-N 3.07Å
787	C	76.8	Confident	76.5	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.054	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-41.2	-177	-71.9	0	0	0	0	110.8	R783 L784 I785 K791 V819	R783-C787 PolarHBondContact NH1-SG 2.9Å; R783-C787 WeakPolarHBondContact O-CB 3.35Å; R783-C787 PolarHBondContact O-N 3.4Å; R783-C787 PolarHBondContact O-SG 2.83Å; L784-C787 PolarHBondContact O-N 3.38Å; I785-C787 VanDerWaalsContact C-N 3.31Å; I785-C787 PolarHBondContact O-N 2.95Å; C787-K791 WeakPolarHBondContact O-CB 3.47Å; C787-K791 WeakPolarHBondContact O-CD 3.36Å; C787-K791 WeakPolarHBondContact O-CG 3.26Å; C787-K791 PolarHBondContact O-N 2.69Å; C787-V819 HydrophobicContact CB-CG1 4.16Å
788	F	79.7	Confident	76.7	Confident	45 Å²	45	53.6 Å²	53.6	20%	0.197	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-56.5	173.9	176.2	-89.2	0	0	0	111.4	L685 L784 I785 Y786 Y790 K791 I792 V819 F820	L685-F788 HydrophobicContact CD2-CZ 4.48Å; L784-F788 VanDerWaalsContact O-CB 3.24Å; L784-F788 WeakPolarHBondContact O-CB 3.35Å; L784-F788 PolarHBondContact O-N 2.84Å; I785-F788 WeakPolarHBondContact O-CB 3.43Å; I785-F788 PolarHBondContact O-N 2.8Å; Y786-F788 VanDerWaalsContact C-N 3.27Å; Y786-F788 PolarHBondContact O-N 2.62Å; F788-Y790 PolarHBondContact O-N 2.97Å; F788-K791 PolarHBondContact O-N 3.45Å; F788-I792 HydrophobicContact CD1-CD1 3.77Å; F788-I792 HydrophobicContact CE1-CD1 3.22Å; F788-I792 HydrophobicContact CE1-CG1 4.45Å; F788-I792 HydrophobicContact CE2-CD1 4.23Å; F788-I792 HydrophobicContact CG-CD1 4.47Å; F788-I792 HydrophobicContact CZ-CD1 3.47Å; F788-I792 VanDerWaalsContact CZ-CD1 3.47Å; F788-I792 WeakPolarHBondContact O-CG1 3.48Å; F788-I792 PolarHBondContact O-N 3.36Å; F788-V819 HydrophobicContact CB-CG1 4.08Å; F788-F820 AromaticContact CD2-CD1 3.37Å; F788-F820 HydrophobicContact CD2-CD1 3.37Å; F788-F820 AromaticContact CD2-CE1 3.97Å; F788-F820 HydrophobicContact CD2-CE1 3.97Å; F788-F820 HydrophobicContact CD2-CG 4.44Å; F788-F820 HydrophobicContact CE2-CB 4.25Å; F788-F820 AromaticContact CE2-CD1 3.38Å; F788-F820 HydrophobicContact CE2-CD1 3.38Å; F788-F820 HydrophobicContact CE2-CE1 4.13Å; F788-F820 HydrophobicContact CE2-CG 4.24Å; F788-F820 HydrophobicContact CG-CD1 4.25Å; F788-F820 HydrophobicContact CG-CE1 4.44Å; F788-F820 HydrophobicContact CZ-CD1 4.32Å
789	I	84.8	Confident	77.3	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-46.4	-179.1	-65.8	-67.4	0	0	0	111	M762 I766 I770 F775 I785 Y786 K791 I792 I793	M762-I789 HydrophobicContact CE-CD1 4.33Å; I766-I789 HydrophobicContact CD1-CD1 4.02Å; I766-I789 HydrophobicContact CG1-CD1 3.85Å; I766-I789 HydrophobicContact CG2-CG2 4.16Å; I770-I789 HydrophobicContact CG1-CG2 4.3Å; F775-I789 HydrophobicContact CE1-CG2 4.27Å; F775-I789 HydrophobicContact CE2-CB 4.04Å; F775-I789 HydrophobicContact CE2-CG1 4.2Å; F775-I789 HydrophobicContact CE2-CG2 4.04Å; F775-I789 HydrophobicContact CZ-CB 3.75Å; F775-I789 HydrophobicContact CZ-CG1 4.42Å; F775-I789 HydrophobicContact CZ-CG2 3.56Å; I785-I789 HydrophobicContact CG2-CG1 4.33Å; I785-I789 VanDerWaalsContact O-CG1 3.31Å; I785-I789 WeakPolarHBondContact O-CG1 3.46Å; I785-I789 PolarHBondContact O-N 3.24Å; Y786-I789 PolarHBondContact O-N 3.47Å; I789-K791 VanDerWaalsContact C-N 3.3Å; I789-K791 PolarHBondContact O-N 2.87Å; I789-I792 PolarHBondContact O-N 3.4Å; I789-I793 HydrophobicContact CG2-CD1 3.84Å; I789-I793 WeakPolarHBondContact O-CD1 3.41Å; I789-I793 VanDerWaalsContact O-CG1 3.25Å; I789-I793 WeakPolarHBondContact O-CG1 3.35Å; I789-I793 PolarHBondContact O-N 3.45Å
790	Y	82.4	Confident	77.6	Confident	90 Å²	90	48.4 Å²	48.4	35%	0.353	23%	0.225	S	C	.	.	H	α-helix	trans	-57.4	-42.9	177	-177.4	-104.9	0	0	0	112.2	Y786 F788 I793 N794	Y786-Y790 HydrophobicContact CE1-CD2 4.23Å; Y786-Y790 AromaticContact CE1-CG 3.97Å; Y786-Y790 HydrophobicContact CE1-CG 3.97Å; Y786-Y790 WeakPolarHBondContact O-CB 3.14Å; Y786-Y790 PolarHBondContact O-N 3.07Å; F788-Y790 PolarHBondContact O-N 2.97Å; Y790-I793 PolarHBondContact O-N 2.79Å; Y790-N794 WeakPolarHBondContact CD1-ND2 3.4Å; Y790-N794 WeakPolarHBondContact CE1-ND2 3.41Å; Y790-N794 PolarHBondContact O-N 3.25Å; Y790-N794 PolarHBondContact O-ND2 2.93Å; Y790-N794 PolarHBondContact OH-ND2 2.93Å
791	K	81.4	Confident	77.4	Confident	10 Å²	10	48.3 Å²	48.3	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-39.4	176.7	-78.7	172.5	164.8	-179.2	0	112.6	C787 F788 I789 N794 L795 Q815 T816 V819 F820	C787-K791 WeakPolarHBondContact O-CB 3.47Å; C787-K791 WeakPolarHBondContact O-CD 3.36Å; C787-K791 WeakPolarHBondContact O-CG 3.26Å; C787-K791 PolarHBondContact O-N 2.69Å; F788-K791 PolarHBondContact O-N 3.45Å; I789-K791 VanDerWaalsContact C-N 3.3Å; I789-K791 PolarHBondContact O-N 2.87Å; K791-N794 PolarHBondContact O-N 3.07Å; K791-L795 VanDerWaalsContact O-CB 3.24Å; K791-L795 WeakPolarHBondContact O-CB 3.42Å; K791-L795 PolarHBondContact O-N 2.8Å; K791-Q815 PolarHBondContact NZ-O 3.1Å; K791-T816 HydrophobicContact CB-CG2 3.95Å; K791-T816 HydrophobicContact CD-CG2 3.94Å; K791-T816 HydrophobicContact CG-CG2 3.94Å; K791-V819 HydrophobicContact CD-CB 3.89Å; K791-V819 HydrophobicContact CD-CG1 4.05Å; K791-V819 HydrophobicContact CD-CG2 4.26Å; K791-F820 HydrophobicContact CB-CE1 3.93Å; K791-F820 HydrophobicContact CB-CZ 3.74Å
792	I	86.1	Confident	77.1	Confident	1 Å²	1	46 Å²	46	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-46.1	174.6	-71.2	173	0	0	0	110.9	L685 F690 L692 I766 F788 I789 N794 L795 R796 F820	L685-I792 HydrophobicContact CD2-CD1 3.55Å; F690-I792 HydrophobicContact CE2-CG2 3.84Å; F690-I792 HydrophobicContact CZ-CG2 3.52Å; L692-I792 HydrophobicContact CD2-CD1 4.22Å; L692-I792 HydrophobicContact CD2-CG1 3.95Å; L692-I792 HydrophobicContact CD2-CG2 4.29Å; I766-I792 HydrophobicContact CD1-CD1 4.16Å; I766-I792 HydrophobicContact CD1-CG2 3.99Å; F788-I792 HydrophobicContact CD1-CD1 3.77Å; F788-I792 HydrophobicContact CE1-CD1 3.22Å; F788-I792 HydrophobicContact CE1-CG1 4.45Å; F788-I792 HydrophobicContact CE2-CD1 4.23Å; F788-I792 HydrophobicContact CG-CD1 4.47Å; F788-I792 HydrophobicContact CZ-CD1 3.47Å; F788-I792 VanDerWaalsContact CZ-CD1 3.47Å; F788-I792 WeakPolarHBondContact O-CG1 3.48Å; F788-I792 PolarHBondContact O-N 3.36Å; I789-I792 PolarHBondContact O-N 3.4Å; I792-N794 VanDerWaalsContact C-N 3.33Å; I792-N794 PolarHBondContact O-N 3.22Å; I792-L795 PolarHBondContact O-N 2.85Å; I792-R796 VanDerWaalsContact O-CB 3.31Å; I792-R796 WeakPolarHBondContact O-CB 3.2Å; I792-R796 PolarHBondContact O-N 3.07Å; I792-F820 HydrophobicContact CD1-CE1 4.26Å; I792-F820 HydrophobicContact CG1-CD1 4.48Å; I792-F820 HydrophobicContact CG1-CE1 3.57Å; I792-F820 HydrophobicContact CG1-CZ 3.9Å
793	I	85.8	Confident	76.4	Confident	27 Å²	27	44 Å²	44	14%	0.138	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-47.7	178.3	-64.2	159.6	0	0	0	110	I766 I770 I789 Y790 L795 R796 F797	I766-I793 HydrophobicContact CG2-CG1 4.25Å; I770-I793 HydrophobicContact CD1-CD1 3.14Å; I770-I793 HydrophobicContact CD1-CG1 3.5Å; I770-I793 VanDerWaalsContact CD1-CG1 3.5Å; I770-I793 HydrophobicContact CG1-CD1 3.46Å; I770-I793 VanDerWaalsContact CG1-CD1 3.46Å; I770-I793 HydrophobicContact CG1-CG1 4.33Å; I789-I793 HydrophobicContact CG2-CD1 3.84Å; I789-I793 WeakPolarHBondContact O-CD1 3.41Å; I789-I793 VanDerWaalsContact O-CG1 3.25Å; I789-I793 WeakPolarHBondContact O-CG1 3.35Å; I789-I793 PolarHBondContact O-N 3.45Å; Y790-I793 PolarHBondContact O-N 2.79Å; I793-L795 VanDerWaalsContact C-N 3.33Å; I793-L795 PolarHBondContact O-N 2.89Å; I793-R796 PolarHBondContact O-N 3.5Å; I793-F797 HydrophobicContact CG2-CD2 3.73Å; I793-F797 HydrophobicContact CG2-CE2 4.17Å; I793-F797 WeakPolarHBondContact O-CD2 3.43Å; I793-F797 PolarHBondContact O-N 3.34Å
794	N	82.4	Confident	75.2	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-41.8	-179.6	-78	-28.3	0	0	0	112.5	Y790 K791 I792 R796 Y798 C799 Y805 N809	Y790-N794 WeakPolarHBondContact CD1-ND2 3.4Å; Y790-N794 WeakPolarHBondContact CE1-ND2 3.41Å; Y790-N794 PolarHBondContact O-N 3.25Å; Y790-N794 PolarHBondContact O-ND2 2.93Å; Y790-N794 PolarHBondContact OH-ND2 2.93Å; K791-N794 PolarHBondContact O-N 3.07Å; I792-N794 VanDerWaalsContact C-N 3.33Å; I792-N794 PolarHBondContact O-N 3.22Å; N794-R796 VanDerWaalsContact C-N 3.34Å; N794-Y798 HydrophobicContact CB-CD2 4.28Å; N794-Y798 PolarHBondContact O-N 2.88Å; N794-Y798 WeakPolarHBondContact OD1-CD2 3.29Å; N794-Y798 WeakPolarHBondContact OD1-CE2 3.31Å; N794-C799 PolarHBondContact O-N 2.78Å; N794-Y805 HydrophobicContact CB-CE2 4.3Å; N794-N809 PolarHBondContact ND2-ND2 2.86Å
795	L	83.3	Confident	73.9	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-39.9	175.9	-174	132.1	0	0	0	111.5	V590 I592 L692 L738 K791 I792 I793 C799 Y805	V590-L795 HydrophobicContact CG1-CD1 4.25Å; V590-L795 HydrophobicContact CG1-CD2 3.61Å; V590-L795 HydrophobicContact CG1-CG 4.43Å; I592-L795 HydrophobicContact CD1-CD2 3.63Å; I592-L795 HydrophobicContact CD1-CG 4.46Å; I592-L795 HydrophobicContact CG1-CD2 3.9Å; L692-L795 HydrophobicContact CD1-CD2 3.75Å; L738-L795 HydrophobicContact CD1-CG 4.45Å; K791-L795 VanDerWaalsContact O-CB 3.24Å; K791-L795 WeakPolarHBondContact O-CB 3.42Å; K791-L795 PolarHBondContact O-N 2.8Å; I792-L795 PolarHBondContact O-N 2.85Å; I793-L795 VanDerWaalsContact C-N 3.33Å; I793-L795 PolarHBondContact O-N 2.89Å; L795-C799 WeakPolarHBondContact O-CB 3.3Å; L795-Y805 HydrophobicContact CB-CE2 3.98Å; L795-Y805 HydrophobicContact CD1-CD2 4.47Å; L795-Y805 HydrophobicContact CD1-CE2 4.42Å
796	R	84.8	Confident	72.3	Confident	23 Å²	23	40.2 Å²	40.2	9%	0.087	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-49.7	178.1	-178.2	176.1	174.5	-159.3	-2.9	112.3	I592 E594 D689 K736 I792 I793 N794	I592-R796 HydrophobicContact CG2-CG 4.24Å; E594-R796 WeakPolarHBondContact OE1-CG 3.37Å; E594-R796 IonicContact OE1-CZ 2.94Å; E594-R796 IonicContact OE1-NE 2.81Å; E594-R796 PolarHBondContact OE1-NE 3Å; E594-R796 IonicContact OE1-NH2 3.13Å; E594-R796 IonicContact OE2-CZ 2.72Å; E594-R796 VanDerWaalsContact OE2-CZ 3.3Å; E594-R796 IonicContact OE2-NE 2.65Å; E594-R796 PolarHBondContact OE2-NE 2.55Å; E594-R796 IonicContact OE2-NH2 2.75Å; E594-R796 PolarHBondContact OE2-NH2 2.85Å; D689-R796 IonicContact OD2-NH1 2.69Å; K736-R796 PolarHBondContact NZ-O 2.98Å; I792-R796 VanDerWaalsContact O-CB 3.31Å; I792-R796 WeakPolarHBondContact O-CB 3.2Å; I792-R796 PolarHBondContact O-N 3.07Å; I793-R796 PolarHBondContact O-N 3.5Å; N794-R796 VanDerWaalsContact C-N 3.34Å
797	F	81.9	Confident	70.3	Confident	99 Å²	99	43.8 Å²	43.8	43%	0.434	20%	0.201	S	C	.	.	H	α-helix	trans	-96.4	-36.3	-168.3	-67.8	-67.7	0	0	0	114.6	I793	I793-F797 HydrophobicContact CG2-CD2 3.73Å; I793-F797 HydrophobicContact CG2-CE2 4.17Å; I793-F797 WeakPolarHBondContact O-CD2 3.43Å; I793-F797 PolarHBondContact O-N 3.34Å
798	Y	75.1	Confident	68.1	Low	127 Å²	127	50 Å²	50	50%	0.498	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-14.4	-169.6	-52.9	-61.7	0	0	0	113.9	N794 F800	N794-Y798 HydrophobicContact CB-CD2 4.28Å; N794-Y798 PolarHBondContact O-N 2.88Å; N794-Y798 WeakPolarHBondContact OD1-CD2 3.29Å; N794-Y798 WeakPolarHBondContact OD1-CE2 3.31Å; Y798-F800 WeakPolarHBondContact O-CD2 3.49Å
799	C	72.1	Confident	65.9	Low	8 Å²	8	49.4 Å²	49.4	5%	0.054	23%	0.228	C	C	.	.			trans	-94.9	127	-177.9	-67.6	0	0	0	0	112.8	L738 N794 L795 Y805	L738-C799 HydrophobicContact CD1-CB 4.28Å; N794-C799 PolarHBondContact O-N 2.78Å; L795-C799 WeakPolarHBondContact O-CB 3.3Å; C799-Y805 HydrophobicContact CB-CD2 4.32Å; C799-Y805 WeakPolarHBondContact SG-CD2 3.41Å
800	F	68.1	Low	63.6	Low	129 Å²	129	53.1 Å²	53.1	57%	0.566	25%	0.254	S	S	*	.	S	Bend	trans	-115.4	-19.1	176	-59.2	-80.8	0	0	0	112.6	L738 Y798	L738-F800 WeakPolarHBondContact CD2-O 3.29Å; Y798-F800 WeakPolarHBondContact O-CD2 3.49Å
801	N	63.9	Low	61.6	Low	63 Å²	63	49.9 Å²	49.9	34%	0.337	25%	0.245	S	C	.	.	S	Bend	trans	-149.6	147.2	173	-170.1	-19.7	0	0	0	108.1	S803 N804	N801-S803 VanDerWaalsContact CG-OG 3.29Å; N801-S803 PolarHBondContact ND2-OG 3.49Å; N801-S803 PolarHBondContact O-N 2.82Å; N801-S803 PolarHBondContact OD1-N 2.71Å; N801-N804 PolarHBondContact O-N 3.45Å
802	L	62.3	Low	60.2	Low	8 Å²	8	49.8 Å²	49.8	4%	0.042	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.3	175.2	-83.6	125	0	0	0	112.8	L738 N740 N804 L813	L738-L802 HydrophobicContact CB-CD1 3.61Å; L738-L802 HydrophobicContact CB-CG 4.02Å; L738-L802 WeakPolarHBondContact O-CD1 3.31Å; N740-L802 HydrophobicContact CB-CB 4.05Å; L802-N804 VanDerWaalsContact C-N 3.3Å; L802-N804 PolarHBondContact O-N 2.76Å; L802-L813 HydrophobicContact CB-CD2 3.97Å; L802-L813 HydrophobicContact CD2-CD1 3.64Å; L802-L813 HydrophobicContact CD2-CD2 3.37Å; L802-L813 HydrophobicContact CD2-CG 4.01Å; L802-L813 HydrophobicContact CG-CD1 4.45Å; L802-L813 HydrophobicContact CG-CD2 4.23Å
803	S	56.1	Low	58.5	Low	34 Å²	34	50 Å²	50	24%	0.238	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-67.8	-25.6	174.7	56.9	0	0	0	0	114.2	N801 S806	N801-S803 VanDerWaalsContact CG-OG 3.29Å; N801-S803 PolarHBondContact ND2-OG 3.49Å; N801-S803 PolarHBondContact O-N 2.82Å; N801-S803 PolarHBondContact OD1-N 2.71Å; S803-S806 PolarHBondContact O-OG 3.45Å
804	N	47.9	Very low	57	Low	80 Å²	80	49.5 Å²	49.5	43%	0.428	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-87.6	-14	-174.9	-72	7.4	0	0	0	112.5	N801 L802 S806 Y807	N801-N804 PolarHBondContact O-N 3.45Å; L802-N804 VanDerWaalsContact C-N 3.3Å; L802-N804 PolarHBondContact O-N 2.76Å; N804-S806 PolarHBondContact O-N 3.06Å; N804-Y807 PolarHBondContact O-N 3.45Å
805	Y	43.3	Very low	55.8	Low	3 Å²	3	52.4 Å²	52.4	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-35.8	179.7	-161.7	-72.6	0	0	0	111.4	N794 L795 C799 Y807 L813 T816	N794-Y805 HydrophobicContact CB-CE2 4.3Å; L795-Y805 HydrophobicContact CB-CE2 3.98Å; L795-Y805 HydrophobicContact CD1-CD2 4.47Å; L795-Y805 HydrophobicContact CD1-CE2 4.42Å; C799-Y805 HydrophobicContact CB-CD2 4.32Å; C799-Y805 WeakPolarHBondContact SG-CD2 3.41Å; Y805-Y807 VanDerWaalsContact C-N 3.33Å; Y805-Y807 PolarHBondContact O-N 2.97Å; Y805-L813 HydrophobicContact CG-CD1 4.19Å; Y805-T816 HydrophobicContact CD1-CG2 4.36Å; Y805-T816 HydrophobicContact CE1-CG2 3.63Å; Y805-T816 WeakPolarHBondContact CE1-OG1 3.5Å; Y805-T816 HydrophobicContact CE2-CG2 3.9Å; Y805-T816 WeakPolarHBondContact OH-CG2 3.22Å
806	S	41.8	Very low	54.5	Low	21 Å²	21	52.2 Å²	52.2	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-28.1	-180	50.2	0	0	0	0	113.9	S803 N804 N812	S803-S806 PolarHBondContact O-OG 3.45Å; N804-S806 PolarHBondContact O-N 3.06Å; S806-N812 WeakPolarHBondContact CB-OD1 3.21Å
807	Y	35.3	Very low	53.2	Low	128 Å²	128	51.1 Å²	51.1	50%	0.502	25%	0.251	S	S	.	.	H	α-helix	trans	-80	-29.4	-174.2	-86.1	-81.5	0	0	0	114.3	N804 Y805	N804-Y807 PolarHBondContact O-N 3.45Å; Y805-Y807 VanDerWaalsContact C-N 3.33Å; Y805-Y807 PolarHBondContact O-N 2.97Å
808	Q	31.7	Very low	52.2	Low	139 Å²	139	52 Å²	52	65%	0.65	26%	0.255	S	S	*	.	H	α-helix	trans	-100.1	-16.3	-171.8	-73.1	-166.2	-14.5	0	0	114.7
809	N	33.9	Very low	51.2	Low	33 Å²	33	47 Å²	47	18%	0.176	24%	0.238	C	C	.	.	S	Bend	trans	-130.3	136.9	177	-78.2	-48.7	0	0	0	109.5	N794 S811	N794-N809 PolarHBondContact ND2-ND2 2.86Å; N809-S811 PolarHBondContact O-N 3.43Å
810	S	35.2	Very low	50.5	Low	81 Å²	81	46.8 Å²	46.8	57%	0.566	24%	0.236	S	C	*	.	S	Bend	trans	-56.3	-13.1	171.4	52.3	0	0	0	0	113.6
811	S	42.1	Very low	49.8	Very low	22 Å²	22	42.8 Å²	42.8	15%	0.154	22%	0.222	C	C	.	.	S	Bend	trans	-90.5	111.4	172.5	64.9	0	0	0	0	111.7	N809	N809-S811 PolarHBondContact O-N 3.43Å
812	N	51	Low	48.8	Very low	8 Å²	8	42.3 Å²	42.3	4%	0.043	22%	0.222	C	C	.	.			trans	-70.5	162.1	-177.8	-139.7	-32.1	0	0	0	112.6	T428 L429 S806 H814 Q815 T816	T428-N812 VanDerWaalsContact C-CG 3.42Å; T428-N812 WeakPolarHBondContact O-CB 3.48Å; T428-N812 PolarHBondContact O-ND2 2.88Å; T428-N812 PolarHBondContact O-OD1 3.49Å; L429-N812 PolarHBondContact N-ND2 2.93Å; S806-N812 WeakPolarHBondContact CB-OD1 3.21Å; N812-H814 VanDerWaalsContact C-N 3.34Å; N812-H814 PolarHBondContact O-N 2.78Å; N812-Q815 PolarHBondContact O-N 2.86Å; N812-Q815 VanDerWaalsContact O-N 3.11Å; N812-T816 PolarHBondContact O-N 3.18Å; N812-T816 PolarHBondContact O-OG1 2.8Å; N812-T816 VanDerWaalsContact O-OG1 3.11Å
813	L	50.6	Low	47.9	Very low	5 Å²	5	46 Å²	46	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-43.3	-172.6	178.4	71.8	0	0	0	112.9	F745 L802 Y805 Q815 T816 L817	F745-L813 HydrophobicContact CZ-CD2 3.92Å; L802-L813 HydrophobicContact CB-CD2 3.97Å; L802-L813 HydrophobicContact CD2-CD1 3.64Å; L802-L813 HydrophobicContact CD2-CD2 3.37Å; L802-L813 HydrophobicContact CD2-CG 4.01Å; L802-L813 HydrophobicContact CG-CD1 4.45Å; L802-L813 HydrophobicContact CG-CD2 4.23Å; Y805-L813 HydrophobicContact CG-CD1 4.19Å; L813-Q815 PolarHBondContact O-N 3.16Å; L813-T816 WeakPolarHBondContact O-CA 3.25Å; L813-T816 WeakPolarHBondContact O-CB 3.37Å; L813-T816 PolarHBondContact O-N 3.21Å; L813-T816 VanDerWaalsContact O-N 3.1Å; L813-L817 HydrophobicContact CD1-CD1 4.17Å; L813-L817 HydrophobicContact CD1-CG 4.32Å; L813-L817 HydrophobicContact CG-CD1 4.05Å; L813-L817 HydrophobicContact CG-CG 4.49Å; L813-L817 WeakPolarHBondContact O-CG 2.95Å; L813-L817 PolarHBondContact O-N 2.94Å
814	H	54.4	Low	46.9	Very low	17 Å²	17	50 Å²	50	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-45.6	177.6	-174.1	112.5	0	0	0	110.9	E424 L429 R588 F745 N812 T816 L817 K818	E424-H814 IonicContact OE1-CE1 3.94Å; E424-H814 PolarHBondContact OE1-CE1 3.28Å; E424-H814 VanDerWaalsContact OE1-CE1 3.27Å; E424-H814 IonicContact OE1-ND1 3.77Å; E424-H814 PolarHBondContact OE1-ND1 3.08Å; L429-H814 HydrophobicContact CD2-CB 4.41Å; R588-H814 PolarHBondContact NH1-ND1 3.06Å; F745-H814 AromaticContact CD1-ND1 3.65Å; F745-H814 HydrophobicContact CE1-CB 4.22Å; N812-H814 VanDerWaalsContact C-N 3.34Å; N812-H814 PolarHBondContact O-N 2.78Å; H814-T816 VanDerWaalsContact C-N 3.27Å; H814-T816 PolarHBondContact O-N 2.93Å; H814-L817 PolarHBondContact O-N 3.4Å; H814-K818 VanDerWaalsContact O-CB 3.22Å; H814-K818 WeakPolarHBondContact O-CB 3.33Å; H814-K818 PolarHBondContact O-N 3.43Å
815	Q	56.8	Low	46.1	Very low	69 Å²	69	53.7 Å²	53.7	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-30.4	175.4	-70.2	-176.1	-8.5	0	0	112.5	L429 K791 N812 L813 V819	L429-Q815 HydrophobicContact CD2-CG 4.4Å; K791-Q815 PolarHBondContact NZ-O 3.1Å; N812-Q815 PolarHBondContact O-N 2.86Å; N812-Q815 VanDerWaalsContact O-N 3.11Å; L813-Q815 PolarHBondContact O-N 3.16Å; Q815-V819 WeakPolarHBondContact O-CG2 3.16Å; Q815-V819 PolarHBondContact O-N 3.38Å; Q815-V819 VanDerWaalsContact O-N 3.16Å
816	T	55.8	Low	45.4	Very low	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-52.2	175.5	-65.5	0	0	0	0	110.9	K791 Y805 N812 L813 H814 K818 V819 F820	K791-T816 HydrophobicContact CB-CG2 3.95Å; K791-T816 HydrophobicContact CD-CG2 3.94Å; K791-T816 HydrophobicContact CG-CG2 3.94Å; Y805-T816 HydrophobicContact CD1-CG2 4.36Å; Y805-T816 HydrophobicContact CE1-CG2 3.63Å; Y805-T816 WeakPolarHBondContact CE1-OG1 3.5Å; Y805-T816 HydrophobicContact CE2-CG2 3.9Å; Y805-T816 WeakPolarHBondContact OH-CG2 3.22Å; N812-T816 PolarHBondContact O-N 3.18Å; N812-T816 PolarHBondContact O-OG1 2.8Å; N812-T816 VanDerWaalsContact O-OG1 3.11Å; L813-T816 WeakPolarHBondContact O-CA 3.25Å; L813-T816 WeakPolarHBondContact O-CB 3.37Å; L813-T816 PolarHBondContact O-N 3.21Å; L813-T816 VanDerWaalsContact O-N 3.1Å; H814-T816 VanDerWaalsContact C-N 3.27Å; H814-T816 PolarHBondContact O-N 2.93Å; T816-K818 VanDerWaalsContact C-N 3.31Å; T816-K818 PolarHBondContact O-N 3.25Å; T816-V819 PolarHBondContact O-N 3.14Å; T816-F820 HydrophobicContact CG2-CE2 4.02Å; T816-F820 HydrophobicContact CG2-CZ 4.19Å
817	L	58	Low	44.5	Very low	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-35.4	177.6	-62.5	175.6	0	0	0	111.8	R588 V590 I694 L749 Y750 L813 H814 V819 F820	R588-L817 HydrophobicContact CB-CD1 4.26Å; R588-L817 HydrophobicContact CG-CD1 4.46Å; V590-L817 HydrophobicContact CG2-CD2 4.46Å; I694-L817 HydrophobicContact CD1-CD2 3.81Å; I694-L817 HydrophobicContact CG2-CD2 4.2Å; L749-L817 HydrophobicContact CD1-CB 3.87Å; Y750-L817 PolarHBondContact OH-O 3.36Å; Y750-L817 VanDerWaalsContact OH-O 3.06Å; L813-L817 HydrophobicContact CD1-CD1 4.17Å; L813-L817 HydrophobicContact CD1-CG 4.32Å; L813-L817 HydrophobicContact CG-CD1 4.05Å; L813-L817 HydrophobicContact CG-CG 4.49Å; L813-L817 WeakPolarHBondContact O-CG 2.95Å; L813-L817 PolarHBondContact O-N 2.94Å; H814-L817 PolarHBondContact O-N 3.4Å; L817-V819 VanDerWaalsContact C-N 3.29Å; L817-V819 PolarHBondContact O-N 2.91Å; L817-F820 HydrophobicContact CD2-CD2 3.93Å; L817-F820 HydrophobicContact CD2-CE2 4.04Å; L817-F820 WeakPolarHBondContact O-CA 3.46Å; L817-F820 WeakPolarHBondContact O-CB 3.48Å; L817-F820 PolarHBondContact O-N 3.31Å
818	K	60.6	Low	43.9	Very low	117 Å²	117	68.5 Å²	68.5	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-29.8	175.7	-168.8	174.4	-178.6	-176.6	0	113.1	L749 H814 T816 F820 T821	L749-K818 HydrophobicContact CD1-CB 4.3Å; L749-K818 HydrophobicContact CD2-CB 4.21Å; L749-K818 HydrophobicContact CD2-CG 4.1Å; H814-K818 VanDerWaalsContact O-CB 3.22Å; H814-K818 WeakPolarHBondContact O-CB 3.33Å; H814-K818 PolarHBondContact O-N 3.43Å; T816-K818 VanDerWaalsContact C-N 3.31Å; T816-K818 PolarHBondContact O-N 3.25Å; K818-F820 PolarHBondContact O-N 2.99Å; K818-T821 PolarHBondContact O-N 3.18Å; K818-T821 PolarHBondContact O-OG1 3.14Å
819	V	54.5	Low	43.5	Very low	23 Å²	23	70.9 Å²	70.9	14%	0.139	38%	0.378	C	S	.	.	H	α-helix	trans	-70	-17.2	173.7	168	0	0	0	0	112.1	L532 C787 F788 K791 Q815 T816 L817 T821	L532-V819 HydrophobicContact CD2-CG2 4.35Å; C787-V819 HydrophobicContact CB-CG1 4.16Å; F788-V819 HydrophobicContact CB-CG1 4.08Å; K791-V819 HydrophobicContact CD-CB 3.89Å; K791-V819 HydrophobicContact CD-CG1 4.05Å; K791-V819 HydrophobicContact CD-CG2 4.26Å; Q815-V819 WeakPolarHBondContact O-CG2 3.16Å; Q815-V819 PolarHBondContact O-N 3.38Å; Q815-V819 VanDerWaalsContact O-N 3.16Å; T816-V819 PolarHBondContact O-N 3.14Å; L817-V819 VanDerWaalsContact C-N 3.29Å; L817-V819 PolarHBondContact O-N 2.91Å; V819-T821 VanDerWaalsContact C-N 3.32Å
820	F	58.3	Low	44	Very low	3 Å²	3	72.8 Å²	72.8	1%	0.013	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.5	174.4	-54	-43	0	0	0	113.8	F683 I694 Y750 F788 K791 I792 T816 L817 K818 P822	F683-F820 HydrophobicContact CE1-CB 3.57Å; F683-F820 HydrophobicContact CE1-CG 4.33Å; F683-F820 HydrophobicContact CZ-CB 3.61Å; F683-F820 HydrophobicContact CZ-CD2 4.26Å; F683-F820 AromaticContact CZ-CG 3.95Å; F683-F820 HydrophobicContact CZ-CG 3.95Å; I694-F820 HydrophobicContact CD1-CD2 3.51Å; I694-F820 HydrophobicContact CD1-CE2 3.81Å; I694-F820 HydrophobicContact CD1-CG 4.38Å; Y750-F820 HydrophobicContact CE1-CB 4.23Å; F788-F820 AromaticContact CD2-CD1 3.37Å; F788-F820 HydrophobicContact CD2-CD1 3.37Å; F788-F820 AromaticContact CD2-CE1 3.97Å; F788-F820 HydrophobicContact CD2-CE1 3.97Å; F788-F820 HydrophobicContact CD2-CG 4.44Å; F788-F820 HydrophobicContact CE2-CB 4.25Å; F788-F820 AromaticContact CE2-CD1 3.38Å; F788-F820 HydrophobicContact CE2-CD1 3.38Å; F788-F820 HydrophobicContact CE2-CE1 4.13Å; F788-F820 HydrophobicContact CE2-CG 4.24Å; F788-F820 HydrophobicContact CG-CD1 4.25Å; F788-F820 HydrophobicContact CG-CE1 4.44Å; F788-F820 HydrophobicContact CZ-CD1 4.32Å; K791-F820 HydrophobicContact CB-CE1 3.93Å; K791-F820 HydrophobicContact CB-CZ 3.74Å; I792-F820 HydrophobicContact CD1-CE1 4.26Å; I792-F820 HydrophobicContact CG1-CD1 4.48Å; I792-F820 HydrophobicContact CG1-CE1 3.57Å; I792-F820 HydrophobicContact CG1-CZ 3.9Å; T816-F820 HydrophobicContact CG2-CE2 4.02Å; T816-F820 HydrophobicContact CG2-CZ 4.19Å; L817-F820 HydrophobicContact CD2-CD2 3.93Å; L817-F820 HydrophobicContact CD2-CE2 4.04Å; L817-F820 WeakPolarHBondContact O-CA 3.46Å; L817-F820 WeakPolarHBondContact O-CB 3.48Å; L817-F820 PolarHBondContact O-N 3.31Å; K818-F820 PolarHBondContact O-N 2.99Å; F820-P822 WeakPolarHBondContact O-CD 3.49Å; F820-P822 VanDerWaalsContact O-N 3.15Å
821	T	52	Low	44.5	Very low	45 Å²	45	72.3 Å²	72.3	28%	0.276	38%	0.378	S	S	.	.	S	Bend	trans	-63.9	119.4	168.4	54.6	0	0	0	0	107.6	L749 Y750 K818 V819 I823	L749-T821 HydrophobicContact CB-CG2 4Å; L749-T821 WeakPolarHBondContact O-CG2 3.48Å; Y750-T821 HydrophobicContact CD1-CG2 4.14Å; Y750-T821 HydrophobicContact CE1-CG2 4.14Å; K818-T821 PolarHBondContact O-N 3.18Å; K818-T821 PolarHBondContact O-OG1 3.14Å; V819-T821 VanDerWaalsContact C-N 3.32Å; T821-I823 PolarHBondContact O-N 3.47Å
822	P	43.6	Very low	44.6	Very low	52 Å²	52	75.1 Å²	75.1	34%	0.338	39%	0.391	S	S	.	.			trans	-51.8	122.1	176.8	-30.4	39.4	0	0	0	108.2	L753 F820 Q824	L753-P822 HydrophobicContact CD1-CG 3.74Å; L753-P822 HydrophobicContact CD2-CB 4.03Å; L753-P822 HydrophobicContact CD2-CG 3.4Å; L753-P822 VanDerWaalsContact CD2-CG 3.4Å; L753-P822 HydrophobicContact CG-CG 4.16Å; F820-P822 WeakPolarHBondContact O-CD 3.49Å; F820-P822 VanDerWaalsContact O-N 3.15Å; P822-Q824 VanDerWaalsContact C-N 3.27Å; P822-Q824 PolarHBondContact O-N 3.11Å
823	I	43.1	Very low	44.2	Very low	87 Å²	87	79.1 Å²	79.1	45%	0.446	41%	0.411	S	S	.	.			trans	-61.5	103.6	169.9	-46.2	168.6	0	0	0	103.9	L784 T821 Y825	L784-I823 HydrophobicContact CB-CD1 3.84Å; L784-I823 HydrophobicContact CD1-CD1 3.58Å; L784-I823 HydrophobicContact CD1-CG1 4.33Å; L784-I823 HydrophobicContact CG-CD1 4.36Å; T821-I823 PolarHBondContact O-N 3.47Å; I823-Y825 HydrophobicContact CB-CD2 4.27Å; I823-Y825 HydrophobicContact CG2-CD2 3.17Å; I823-Y825 HydrophobicContact CG2-CE2 3.45Å; I823-Y825 VanDerWaalsContact CG2-CE2 3.45Å; I823-Y825 HydrophobicContact CG2-CG 4.25Å; I823-Y825 PolarHBondContact O-N 2.71Å
824	Q	34.8	Very low	43.8	Very low	116 Å²	116	83.7 Å²	83.7	54%	0.542	44%	0.435	S	S	.	.			trans	-66.9	64.7	170.4	-83.8	-176.6	-25	0	0	108.2	H652 P822	H652-Q824 PolarHBondContact CE1-OE1 3.06Å; P822-Q824 VanDerWaalsContact C-N 3.27Å; P822-Q824 PolarHBondContact O-N 3.11Å
825	Y	31.4	Very low	43.1	Very low	159 Å²	159	88.1 Å²	88.1	62%	0.624	46%	0.459	S	S	*	.			trans	-88.6	116.6	151.9	-82	-68.4	0	0	0	106.2	I823 T827	I823-Y825 HydrophobicContact CB-CD2 4.27Å; I823-Y825 HydrophobicContact CG2-CD2 3.17Å; I823-Y825 HydrophobicContact CG2-CE2 3.45Å; I823-Y825 VanDerWaalsContact CG2-CE2 3.45Å; I823-Y825 HydrophobicContact CG2-CG 4.25Å; I823-Y825 PolarHBondContact O-N 2.71Å; Y825-T827 PolarHBondContact O-N 3.07Å
826	R	27.6	Very low	42.2	Very low	236 Å²	236	89.5 Å²	89.5	89%	0.891	47%	0.469	S	S	*	.			trans	-31.1	96.3	165.7	-70.3	174.3	174.3	173	-3.3	111	S828	R826-S828 VanDerWaalsContact C-N 3.32Å
827	T	24.2	Very low	41.1	Very low	133 Å²	133	96.4 Å²	96.4	82%	0.816	51%	0.505	S	S	*	.			trans	-107.4	59.9	150.8	45.1	0	0	0	0	106.1	Y825	Y825-T827 PolarHBondContact O-N 3.07Å
828	S	22.3	Very low	39.7	Very low	94 Å²	94	104.4 Å²	104.4	66%	0.657	55%	0.547	S	S	*	.			trans	-74.5	114	145.2	52.3	0	0	0	0	105.6	R826	R826-S828 VanDerWaalsContact C-N 3.32Å
829	S	24.3	Very low	37.8	Very low	188 Å²	188	103.3 Å²	103.3	100%	1.315	55%	0.551	S	S	*	*			trans	98.5	0	-177.3	86.1	0	0	0	0	116

Retrieved 829 of 829 residues in 315.7 ms (Link to these results)

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